Mercurial > repos > recetox > retip_apply
changeset 9:a66070c7d55b draft default tip
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit 9bc547872c98a9c13c561d15e8990fe82bdc0e72"
| author | recetox |
|---|---|
| date | Fri, 28 Jan 2022 16:28:38 +0000 |
| parents | eaccaebf11cb |
| children | |
| files | macros.xml retip_apply.xml test-data/annotations-good.tsv |
| diffstat | 3 files changed, 5875 insertions(+), 25 deletions(-) [+] |
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--- a/macros.xml Tue Mar 09 18:29:03 2021 +0000 +++ b/macros.xml Fri Jan 28 16:28:38 2022 +0000 @@ -1,5 +1,25 @@ <macros> <token name="@TOOL_VERSION@">0.5.4</token> + + <xml name="creator"> + <creator> + <person + givenName="Muhammad" + familyName="Usman" + url="https://github.com/smartx-usman" + identifier="0000-0002-9598-0704" /> + <person + givenName="Aleš" + familyName="Křenek" + url="https://github.com/ljocha" + identifier="0000-0002-3395-3196" /> + <organization + url="https://www.recetox.muni.cz/" + email="GalaxyToolsDevelopmentandDeployment@space.muni.cz" + name="RECETOX MUNI" /> + </creator> + </xml> + <xml name="requirements"> <requirements> <container type="docker">recetox/retip:@TOOL_VERSION@-recetox4</container> @@ -11,27 +31,27 @@ </citations> </xml> <token name="@HELP@"><![CDATA[ -**Retip** is an R package for predicting Retention Time (RT) for small molecules in a high pressure liquid -chromatography (HPLC) Mass Spectrometry analysis. Retention time calculation can be useful in identifying -unknowns and removing false positive annotations. It uses five different machine learning algorithms to built a -stable, accurate and fast RT prediction model: + **Retip** is an R package for predicting Retention Time (RT) for small molecules in a high pressure liquid + chromatography (HPLC) Mass Spectrometry analysis. Retention time calculation can be useful in identifying + unknowns and removing false positive annotations. It uses five different machine learning algorithms to built a + stable, accurate and fast RT prediction model: -- Random Forest: a decision tree algorithms -- BRNN: Bayesian Regularized Neural Network -- XGBoost: an extreme Gradient Boosting for tree algorithms -- lightGBM: a gradient boosting framework that uses tree based learning algorithms. -- Keras: a high-level neural networks API for Tensorflow + - Random Forest: a decision tree algorithms + - BRNN: Bayesian Regularized Neural Network + - XGBoost: an extreme Gradient Boosting for tree algorithms + - lightGBM: a gradient boosting framework that uses tree based learning algorithms. + - Keras: a high-level neural networks API for Tensorflow -Retip also includes useful biochemical databases like: BMDB, ChEBI, DrugBank, ECMDB, FooDB, HMDB, KNApSAcK, -PlantCyc, SMPDB, T3DB, UNPD, YMDB and STOFF. + Retip also includes useful biochemical databases like: BMDB, ChEBI, DrugBank, ECMDB, FooDB, HMDB, KNApSAcK, + PlantCyc, SMPDB, T3DB, UNPD, YMDB and STOFF. -**Get started** + **Get started** -To use Retip, a user needs to prepare a compound retention time library. The input file -needs compound Name, InChiKey, SMILES code and experimental retention time information for each compound. -The input must be a CSV file. Retip will use this input file to build a the model and will predict -retention times for other biochemical databases or an input query list of compounds. It is suggested that -the file has at least 300 compounds to build a good retention time prediction model. + To use Retip, a user needs to prepare a compound retention time library. The input file + needs compound Name, InChiKey, SMILES code and experimental retention time information for each compound. + The input must be a CSV file. Retip will use this input file to build a the model and will predict + retention times for other biochemical databases or an input query list of compounds. It is suggested that + the file has at least 300 compounds to build a good retention time prediction model. ]]> </token> </macros>
--- a/retip_apply.xml Tue Mar 09 18:29:03 2021 +0000 +++ b/retip_apply.xml Fri Jan 28 16:28:38 2022 +0000 @@ -3,6 +3,8 @@ <macros> <import>macros.xml</import> </macros> + <expand macro="creator"/> + <expand macro="requirements"/> <command detect_errors="exit_code"><![CDATA[ #if $input_smiles.is_of_type('tabular') @@ -17,10 +19,12 @@ <param name="model_h5" label="Select Model.h5 Dataset" type="data" format="h5" optional="false"/> <param format="tabular,h5" name="input_smiles" type="data" label="Select Input Smiles tsv or h5 Dataset" optional="false"/> - <param name="smiles_col" type="text" label="Name of input column with SMILES" optional="true" value="qsar_smiles"/> - <param name="name_col" type="text" label="Name of input column with some unique identifier" optional="true" value="recetox_cid"/> - <param name="ids" type="text" label="Input H5 dataset" optional="true" value="/annotations"/> - <param name="ods" type="text" label="Output H5 dataset" optional="true" value="/annotations"/> + <param name="smiles_col" type="text" label="Name of input column with SMILES" optional="true" + value="qsar_smiles"/> + <param name="name_col" type="text" label="Name of input column with some unique identifier" optional="true" + value="recetox_cid"/> + <param name="ids" type="text" label="Input H5 dataset" optional="true" value="/annotations"/> + <param name="ods" type="text" label="Output H5 dataset" optional="true" value="/annotations"/> </inputs> <outputs> <data format_source="input_smiles" name="output_good" label="Predicted RT" from_work_dir="output_file"/> @@ -44,12 +48,13 @@ <output name="output_bad" file="bad.h5" ftype="h5" compare="sim_size" delta="50"/> </test> </tests> - <help><![CDATA[ -.. class:: infomark + <help> + <![CDATA[ + .. class:: infomark -This tool is used for **Retention Time Prediction** on a whole database. + This tool is used for **Retention Time Prediction** on a whole database. -@HELP@ + @HELP@ ]]> </help> <expand macro="citations"/>
--- a/test-data/annotations-good.tsv Tue Mar 09 18:29:03 2021 +0000 +++ b/test-data/annotations-good.tsv Fri Jan 28 16:28:38 2022 +0000 @@ -1,218 +1,621 @@ X1 peak adduct compound expected_mass mz rt monoisotopic_mass molecular_formula multiple_match rtp 0 3241 M 227007 293.148 293.14697949967797 575.5631208683463 293.148 C14H10Cl2N2O 1 989.46 +1 4231 M 98329 334.23814 334.23690818184235 633.0788046302234 334.23814 C15H21Cl2NO3 1 1042.81 +2 2019 M 548977 238.90789999999998 238.90729626454117 1241.0443680310968 238.90789999999998 C5H5Br2N 0 446.96 3 1608 M 723512 217.19592000000006 217.19527811877344 692.9425097154417 217.19592000000006 C9H13O6- 1 710.23 4 2914 M 66531 280.10433 280.10494372720166 1062.3268512014424 280.10433 C12H9I 0 1014.33 +5 5001 M 212516 371.20644 371.20600609496967 544.3662236919655 371.20644 C13H11BrN2O4S 1 835.03 +7 9859 M 226909 675.5446599999998 675.5427755827147 1038.0303449368985 675.5446599999998 C25H24N2O8Pt 1 593.44 +8 6885 M 798030 458.42138 458.41946087021336 930.7882962988118 458.42138 C21H22N4O8 1 656.66 +12 3510 M 699839 304.19472099999996 304.19408380093 614.6530366569131 304.19472099999996 C13H9N2O5P 0 779.79 +14 2059 M 325123 241.0564432 241.05642302726133 188.1434356513664 241.0564432 C10H6BrFO 1 858.87 +15 3003 M 222379 283.28082000000006 283.282174524441 946.7891835921547 283.28082000000006 C13H28Cl2N2 1 388.51 17 1294 M 493218 200.128421 200.12830932709718 412.0195338907605 200.128421 C8H9O4P-- 1 626.45 18 5451 M 297810 392.28687999999994 392.28630056522286 1133.1184510147414 392.28687999999994 C19H22BrNO3 1 558.99 +19 5452 M 297810 392.28687999999994 392.28789086726374 1044.9851826836548 392.28687999999994 C19H22BrNO3 1 558.99 20 2475 M 289896 261.085961 261.0870647799037 343.97624394677104 261.085961 C7H15Cl2N2O2P 1 668.27 21 2574 M 96084 265.09154 265.0918451149658 192.00489843517207 265.09154 C13H6Cl2O2 0 1045.84 22 6254 M 379500 430.1885183999998 430.1885879212741 467.37308251305853 430.1885183999998 C6H2F12O4S2 1 620.54 23 6255 M 379500 430.1885183999998 430.1897809226508 509.0352581198251 430.1885183999998 C6H2F12O4S2 1 620.54 +24 2300 M 622530 252.18032 252.18053376814953 540.0193450321165 252.18032 C10H8N2O6 1 44.76 +25 3491 M 29049 303.28996 303.28935658000466 927.8299914120748 303.28996 C14H9NO5S 1 689.31 26 1893 M 649081 231.25052 231.25107094570208 716.7922728030064 231.25052 C12H13N3O2 1 717.64 29 3116 M 196682 288.14325919999993 288.1437328602987 322.5854401181757 288.14325919999993 C10H6F6O3 1 844.76 +31 2365 M 702569 255.25046 255.25088841005314 868.1497468778131 255.25046 C9H9N3O4S 1 676.05 +32 3177 M 583161 290.2465431999999 290.2455187241061 901.196670943718 290.2465431999999 C14H11FN2O4 1 648.6 36 4565 M 671367 350.3248599999999 350.32652360880945 1047.5468196820598 350.3248599999999 C19H14N2O5 1 892.06 39 3192 M 654608 291.14324 291.14469134786407 427.1616634492247 291.14324 C13H11BrN2O 1 888.33 40 4108 M 128096 329.14815999999996 329.14975515656585 606.4636580723245 329.14815999999996 C15H9BrN2O2 1 809.41 +43 3698 M 727283 311.29387999999994 311.2939581792357 887.3490023217139 311.29387999999994 C12H17N5O5 1 413.51 45 3319 M 386413 297.071701 297.0721669206702 1255.5227978914872 297.071701 C10H11Cl2O4P 0 887.36 46 5001 M 183176 371.20644 371.20600609496967 544.3662236919655 371.20644 C13H11BrN2O4S 1 823.16 47 6499 M 82436 441.36080000000015 441.36061930478996 827.8929881658235 441.36080000000015 C23H25BrN2O2 1 689.75 +48 6537 M 338362 443.30095599999976 443.29931198620346 767.4990113680761 443.30095599999976 C18H6F5NO5S 1 833.72 +49 6538 M 338362 443.30095599999976 443.303074916064 1036.7598285684944 443.30095599999976 C18H6F5NO5S 1 833.72 +50 7930 M 16950 518.25659 518.2578507089055 560.9428771346152 518.25659 C7H2ClI3O 0 1167.83 +55 2639 M 720010 267.196161 267.1956243226865 583.4205255683313 267.196161 C7H10NO6PS 1 264.69 +57 2270 M 386955 251.07784 251.07768400805259 239.0333695164228 251.07784 C7H11BrN2O3 1 336.6 58 4565 M 344863 350.32815999999997 350.32652360880945 1047.5468196820598 350.32815999999997 C18H14N4O4 1 752.27 +60 3097 M 490257 287.14969999999994 287.14896583985995 456.709984404163 287.14969999999994 C12H15BrO3 1 918.77 +62 1552 M 674114 214.18824 214.1883409409935 505.4748707268377 214.18824 C15H11LiO 1 1114.49 63 6079 M 383357 422.1105599999999 422.10866264862614 373.69768661387343 422.1105599999999 C18H14Br2O2 0 1211.84 65 5232 M 81980 383.22594 383.22722460282154 475.60892365695526 383.22594 C17H16Cl2N2O4 1 1043.06 +67 3388 M 726177 300.09243 300.09254326938844 298.1930304652488 300.09243 C11H9IO2 1 992.5 +69 3999 M 855601 324.32733999999994 324.3259495325047 945.5694319089121 324.32733999999994 C19H16O5 1 764.12 71 2530 M 314255 263.13313999999997 263.1325998668795 363.68636775988176 263.13313999999997 C12H11BrN2 1 733.5 75 2620 M 855551 266.3360799999999 266.33615176318233 323.05527540347543 266.3360799999999 C14H22N2O3 1 302.6 +76 2184 M 114971 247.08584000000005 247.08667174641258 249.98396005137676 247.08584000000005 C9H11BrO3 1 869.58 77 2480 M 262187 261.12426320000003 261.1236102920854 403.30966009675046 261.12426320000003 C6H4FN5O6 1 621.64 78 4472 M 59529 346.11165 346.11307677642776 283.1932281941768 346.11165 C4H5AuO4S 0 574.39 +79 5827 M 119605 410.3735199999997 410.3737740033627 913.2114996080307 410.3735199999997 C22H18O8 1 1003.45 +83 1161 M 395178 192.0889128 192.0889279889156 766.2464646318984 192.0889128 C3F4O3S 1 761.21 84 2605 M 138184 266.12266 266.1216931492191 369.38917540349536 266.12266 C13H9Cl2NO 1 949.53 85 2793 M 636794 274.11117999999993 274.1108987280255 384.9935826930981 274.11117999999993 C10H12BrNO3 0 821.41 +87 2543 M 864457 264.06363000000005 264.0643934359406 250.6405169825501 264.06363000000005 C7H9IN2O 0 470.42 +88 4783 M 497634 360.2746000000001 360.2746348628635 616.7349930056237 360.2746000000001 C22H20N2Ti-- 1 941.55 +95 2103 M 332812 243.05408000000003 243.0547122467765 275.8127945607703 243.05408000000003 C9H7BrO3 1 769.99 99 5017 M 67505 372.15838999999994 372.1586597148011 388.8830446040864 372.15838999999994 C13H13IN2O3 0 640.46 +100 3090 M 436287 287.10663999999997 287.106535967346 294.26824632956664 287.10663999999997 C11H11BrO4 1 912.12 +104 2777 M 510084 273.1319191999999 273.132806119133 411.9677997724325 273.1319191999999 C9H5F6NO2 0 862.32 +105 6185 M 476289 427.19964000000016 427.1978126107141 567.9106069627792 427.19964000000016 C20H36O2Sn 1 604.67 +114 3161 M 40326 289.2216010000001 289.2205270543243 523.3627083484768 289.2216010000001 C11H16NO6P 1 808.82 115 1932 M 563752 233.1952232 233.19434722206117 443.2187380609691 233.1952232 C12H8FNO3 1 622.63 117 4203 M 631574 333.20636000000013 333.2062920797834 604.5359428272982 333.20636000000013 C13H9BrN4S 1 733.14 +118 2211 M 250069 248.1586896 248.15753226956062 460.50897700181076 248.1586896 C9H7F3N2O3 1 746.14 +120 2795 M-H2O-H 227007 274.12961 274.1286051935849 350.50549571268067 293.148 C14H10Cl2N2O 1 989.46 +121 2178 M-H2O-H 550851 246.24350999999996 246.2426702025712 968.8905140611339 265.26189999999997 C13H15NO5 1 636.99 122 2555 M-H2O-H 418708 264.14260999999993 264.14306731025636 366.41987898883195 283.16099999999994 C13H15BrO2 1 1235.38 +123 1526 M-H2O-H 595776 213.09783960000001 213.09832080193254 398.1505229082464 232.11622960000003 C8H3F3N2O3 1 776.4 +124 1822 M-H2O-H 535672 228.2034132 228.2040105390728 843.9622344240522 247.2218032 C13H10FNO3 1 745.95 +125 1773 M-H2O-H 522937 226.18753319999996 226.18818043708796 684.5368569852046 245.20592319999997 C13H8FNO3 1 780.35 +126 4401 M-H2O-H 169178 342.22637100000003 342.2276639255104 523.191615537883 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +129 186 M-H2O-H 310532 131.03198999999998 131.0325821175817 577.6647515697967 150.05038 CH2N4O5 1 499.11 130 2056 M-H2O-H 555479 240.2323563999999 240.232124530664 872.0992447843912 259.2507463999999 C15H11F2NO 1 993.06 131 3249 M-H2O-H 269339 293.2154299999999 293.21568878751754 523.0798292390664 312.2338199999999 C15H8N2O6 1 696.63 +133 4333 M-H2O-H 370426 339.2162491999998 339.2160422564227 673.6119984848003 358.23463919999983 C17H8F6O2 1 913.72 +134 2294 M-H2O-H 100703 252.13191 252.131100784728 617.8247283702088 271.1503 C12H15BrO2 1 1066.69 +135 6313 M-H2O-H 518021 432.2812 432.27950431779146 393.17288689737603 451.29959 C23H18INO 1 1114.68 +137 6315 M-H2O-H 518021 432.2812 432.2807179123782 403.39867078418126 451.29959 C23H18INO 1 1114.68 138 11196 M-H2O-H 288747 834.6049730000002 834.606969222579 771.6949579482547 853.6233630000002 C25H42N7O18P3S 0 695.42 +139 4163 M-H2O-H 645349 331.2103499999999 331.2111484639127 590.6045036450877 350.2287399999999 C12H16BrNO4S 1 872.96 +141 3373 M-H2O-H 519709 299.14540239999985 299.1459429996705 434.59727957696225 318.16379239999986 C10H10F7NaO2 1 781.72 +142 3172 M-H2O-H 137924 290.16876999999994 290.1680122619795 462.2399357183064 309.18715999999995 C16H14Cl2O2 1 1093.05 +143 1454 M-H2O-H 307506 209.05629 209.05596672504063 220.87095852451174 228.07468 C10H7Cl2NO 1 714.07 +146 3078 M-H2O-H 673726 286.2016699999999 286.2012383159521 469.81982244620013 305.22005999999993 C13H14Cl2O2S 1 1153.15 147 1115 M-H2O-H 625541 189.14912999999999 189.1485579884392 469.01789213271843 208.16752 C10H8O5 0 659.59 +148 3656 M-H2O-H 445275 309.29764999999986 309.29777967409 899.8555785431242 328.3160399999999 C18H16O6 1 797.61 +149 2247 M-H2O-H 381968 250.11602999999997 250.11540915975016 554.8889964921527 269.13442 C12H13BrO2 1 878.54 151 8513 M-H2O-H 247082 556.3867900000001 556.3885594492093 1031.157724757611 575.4051800000001 C26H27BrN2O8 1 716.73 152 503 M-H2O-H 45751 154.09471000000002 154.09468209034335 397.52613803045665 173.11310000000003 C4H10Cl2OSi 1 909.09 153 714 M-H2O-H 357668 167.18997000000002 167.18922710427205 214.96252972019033 186.20836000000003 C8H14N2O3 1 682.38 154 2753 M-H2O-H 654608 272.12485 272.12379409543803 298.6230328159759 291.14324 C13H11BrN2O 1 888.33 155 10329 M-H2O-H 646040 729.6631300000004 729.6633285969547 254.49751849605155 748.6815200000003 C28H48N2O21 1 203.09 +158 7386 M-H2O-H 17757 487.1778729999999 487.18008233438286 513.4720577214966 506.19626299999993 C10H17N6O12P3 1 168.43 +159 4335 M-H2O-H 861953 339.2375099999999 339.235953993484 604.6927154918378 358.2558999999999 C17H10O9 1 647.21 160 879 M-H2O-H 36371 177.10197000000002 177.10255871896945 206.47718044318256 196.12036000000003 C6H4N4O4 1 580.55 +167 6260 M-H2O-H 233503 430.22432999999995 430.22570382534366 588.964424074636 449.24271999999996 C16H18Cl2N4O7 1 660.21 +169 3249 M-H2O-H 517331 293.21577 293.21568878751754 523.0798292390664 312.23416000000003 C16H19Cl2NO 1 632.34 +170 314 M-H2O-H 514410 141.06554099999997 141.06601584957494 945.9490807799264 160.08393099999998 C4H10NaO3P 1 469.14 +171 315 M-H2O-H 514410 141.06554099999997 141.06605989409462 206.91042294552608 160.08393099999998 C4H10NaO3P 1 469.14 +173 2980 M-H2O-H 527940 283.05015999999995 283.0488205590734 300.52691381855504 302.06854999999996 C9H7IN2O2 0 741.41 +181 2250 M-H2O-H 396563 250.12651 250.12677627216758 385.2753053952626 269.1449 C9H10Cl2O3S 0 988.6 +182 2410 M-H2O-H 635963 257.26615 257.26680474356044 903.3543243337456 276.28454 C15H16O5 1 792.26 +184 6414 M-H2O-H 136840 437.3822699999998 437.3812210512433 1022.1016294677561 456.4006599999998 C19H24N2O11 1 869.23 +185 4766 M-H2O-H 546190 360.00203999999997 360.00365705022193 1003.5603802127619 379.02043 C13H9Cl2IO 1 1293.05 186 1802 M-H2O-H 114971 228.06745000000004 228.06788623690792 768.3966884406035 247.08584000000005 C9H11BrO3 0 869.58 +187 2663 M-H2O-H 534271 268.22585 268.22718852346395 720.4688698322792 287.24424 C15H11O6- 1 701.16 192 5521 M-H2O-H 118697 395.22833559999975 395.22662223298045 546.5852909126902 414.24672559999976 C17H10F8O3 1 1262.75 193 2905 M-H2O-H 586826 279.1956795999999 279.19534784508363 594.3780039547695 298.2140695999999 C14H9F3O4 1 844.28 +194 646 M-H2O-H 261532 164.038211 164.03783380553074 404.4190612755635 183.056601 C3H6NO6P-- 1 77.72 195 1822 M-H2O-H 578120 228.20341319999997 228.2040105390728 843.9622344240522 247.22180319999998 C13H10FNO3 1 708.11 +197 2588 M-H2O-H 230948 265.25344999999993 265.25243360073284 825.5507732257765 284.27183999999994 C10H16N6O4-- 1 683.23 +198 1161 M-H2O-H 614240 192.08910099999997 192.0889279889156 766.2464646318984 211.10749099999998 C7H9NaO4P+ 1 93.17 +201 2324 M-H2O-H 495732 253.23615 253.23536385981603 795.0372774417294 272.25454 C11H16N2O6 1 519.18 +202 4759 M-H2O-H 385846 359.24345 359.24328860428415 685.046918586807 378.26184 C21H16BrNO 1 1031.83 +203 6902 M-H2O-H 851629 459.38448999999986 459.38641936007957 1024.605160625882 478.40287999999987 C22H22O12 1 653.45 +204 1186 M-H2O-H 365964 194.05276999999998 194.05314581999573 492.5062821527243 213.07116 C9H9BrO 1 905.99 +208 1186 M-H2O-H 590516 194.05276999999998 194.05314581999573 492.5062821527243 213.07116 C9H9BrO 1 751.6 +211 1719 M-H2O-H 338760 224.07875 224.078428299604 1251.0374993436599 243.09714000000002 C10H11BrO2 1 813.82 212 3638 M-H2O-H 489950 309.13050000000004 309.1304516423255 454.12360298120836 328.14889000000005 C12H13IN2O 1 678.74 +213 3604 M-H2O-H 386717 308.08083099999993 308.07947771193125 353.72603115680363 327.09922099999994 C14H9Cl2O3P 0 1175.71 +214 2131 M-H2O-H 45065 244.16311000000002 244.16250727455758 536.7919498052757 263.1815 C7H5NO8S 1 424.91 +217 3743 M-H2O-H 287500 313.23812999999996 313.2370155937335 655.3386216817407 332.25651999999997 C13H18BrNO2S 1 992.95 +220 1413 2M-3H 686498 206.17552399999997 206.17538760531642 291.9355762297887 310.77419999999995 C19H15ClO2 1 1073.66 +221 1321 2M-3H 174367 201.18823066666664 201.18910321039405 600.9298458480386 303.29326 C13H9N3O4S 1 648.68 +224 4400 2M-3H 628903 342.20891066666667 342.21032048917033 547.2067631789521 514.8242799999999 C30H62N2O4 1 748.06 +225 1430 2M-3H 269339 207.14860399999995 207.1493314449937 270.6619446692807 312.2338199999999 C15H8N2O6 1 696.63 +226 4027 2M-3H 197139 326.11043066666656 326.108915161636 264.55108636877793 490.6765599999999 C38H34 1 671.19 +228 1678 2M-3H 97481 221.14020399999995 221.14020865552774 498.100651006569 333.22121999999996 C20H13Br 1 1098.8 232 642 2M-3H 584139 163.14855279999998 163.1481943367615 677.8565200392331 246.23374319999996 C14H11FO3 1 719.12 +233 3208 2M-3H 540960 292.03725800000007 292.0368184946204 300.3117494486408 439.5668010000001 C21H46NO6P 1 882.09 238 270 2M-3H 609671 137.25095066666663 137.2503732136656 1138.4237247203741 207.38733999999997 C12H21NSi 1 649.02 239 328 2M-3H 215975 142.06544399999999 142.06533301479033 367.07494636232116 214.60908 C7H7ClN4O2 1 648.57 +242 596 2M-3H 702638 160.1529773333333 160.15270381521825 205.98850420638342 241.74037999999996 C10H12ClN3S 1 830.25 +244 1763 2M-3H 518299 226.108124 226.1075768974082 358.3924327100578 340.67310000000003 C14H20Cl3NO2 1 685.32 245 747 2M-3H 45400 169.12216399999997 169.1224524450331 436.4908596694105 255.19415999999998 C6H9N9O3 1 156.48 +251 1087 2M-3H 138718 188.031924 188.03191760047102 1076.0069372021153 283.5588 C9H5Cl3O2S 0 965.31 +252 5071 2M-3H 45189 374.2085906666667 374.20710221885565 614.4928449032723 562.8238 C40H50O2 1 783.86 253 307 2M-3H 237947 140.11803066666664 140.11840688898067 209.2653744326065 211.68795999999998 C11H14ClNO 0 773.08 +254 1261 2M-3H 509978 198.1574446666667 198.15687642890595 629.9110483604743 298.74708100000004 C3H3Cl6OP 1 921.93 +255 1289 2M-3H 583013 200.09165039999996 200.09187855762028 298.39044916401554 301.6483896 C13H7ClF3NO2 1 863.29 +256 6507 2M-3H 256312 442.20821733333355 442.2066833872106 534.7499438836818 664.8232400000003 C36H56O11 1 764.65 258 4168 2M-3H 44003 331.3415506666666 331.3400391979087 836.3844520532764 498.52323999999993 C30H26O7 1 1061.35 +260 1038 2M-3H 198477 185.10017733333328 185.1003212200728 384.9124330579769 279.16117999999994 C15H12Cl2O 1 1263.69 +264 8164 2M-3H 864075 533.4421906666669 533.4420189727441 1104.28412323747 801.6742000000003 C46H30Cl2N6O4 1 1694.87 +265 1232 2M-3H 586092 197.08165733333328 197.08105078286053 405.95082365656333 297.13339999999994 C14H10Cl2O3 0 1041.24 +269 151 2M-3H 553532 127.09489733333334 127.09485248734397 250.58803763774245 192.15326000000002 C3H4N4O4S 1 565.91 +270 2030 2M-3H 403579 239.1486573333333 239.14899706893348 1129.6771668180852 360.23389999999995 C19H15Cl2NO2 1 1127.04 +271 7 3M-3H 393910 111.1176072 111.11707209942239 999.9674214449866 112.1248832 C6H7FN+ 1 431.58 +272 2563 3M-3H 550851 264.254624 264.25336395929776 818.7325813498362 265.26189999999997 C13H15NO5 1 636.99 +273 1830 3M-3H 543120 229.086584 229.08611408412693 562.0335336216543 230.09385999999998 C9H9Cl2N3 1 536.43 +274 2966 3M-3H 418708 282.15372399999995 282.15281823688423 437.2514812674219 283.16099999999994 C13H15BrO2 1 1235.38 +275 8927 3M-3H 509369 586.3616840000001 586.3592544053752 733.1603214518278 587.36896 C30H44O4Sn 1 659.44 +280 108 3M-3H 372761 123.07154499999997 123.07173982247622 162.72817316520081 124.07882099999999 C2H9N2O2P 1 399.38 283 1697 3M-3H 629397 223.04676399999997 223.0458532057753 265.0329607235932 224.05404 C9H6BrNO 1 732.92 286 4779 3M-3H 169178 360.2374850000001 360.237707046871 521.2758792894608 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +287 713 3M-3H 251020 167.182504 167.18197571349796 226.66675866892558 168.18978 C9H12O3 1 700.59 +288 419 3M-3H 310532 149.04310399999997 149.04292636029464 368.28188868159 150.05038 CH2N4O5 1 499.11 +296 1195 3M-3H 120162 194.12502400000002 194.1258668269585 551.7477060100058 195.13230000000001 C7H5N3O4 1 642.33 +297 1717 3M-3H 536995 224.07788399999995 224.0780162385639 317.633373579928 225.08515999999997 C9H9BrN2 1 620.84 +298 1718 3M-3H 536995 224.07788399999995 224.0784278031693 740.7467699833481 225.08515999999997 C9H9BrN2 1 620.84 +299 1719 3M-3H 536995 224.07788399999995 224.078428299604 1251.0374993436599 225.08515999999997 C9H9BrN2 1 620.84 303 2194 3M-3H 569582 247.1745536 247.17355740474287 342.8395532604492 248.18182960000001 C8H3F3N2O2S 1 770.03 304 1781 3M-3H 307506 227.067404 227.06630456162344 225.25424309313482 228.07468 C10H7Cl2NO 1 714.07 +305 1403 3M-3H 298413 206.09291999999994 206.09255555560796 314.94808489839323 207.10019599999995 C8H2F5N 1 887.22 +306 2161 3M-3H 584139 245.22646719999997 245.22640231110657 836.3203526607084 246.23374319999996 C14H11FO3 1 719.12 +308 2759 3M-3H 89055 272.16908499999994 272.16822530148113 536.645268309844 273.176361 C10H14NNa2O3P 1 640.45 +310 3513 3M-3H 673726 304.21278399999994 304.2117822064903 440.1716046503375 305.22005999999993 C13H14Cl2O2S 1 1153.15 +313 5921 3M-3H 669000 415.2127840000001 415.21188985214485 756.0681276798817 416.2200600000001 C19H39NOSn 1 596.9 +315 519 3M-3H 501686 155.085684 155.08562167610742 517.7265456858881 156.09296 C6H4O5 1 603.27 316 2652 3M-3H 381968 268.127144 268.12607203203027 571.8408629322106 269.13442 C12H13BrO2 1 878.54 321 795 3M-3H 45751 172.105824 172.1050958885839 465.40387969921795 173.11310000000003 C4H10Cl2OSi 1 909.09 322 3721 3M-3H 718231 312.3271639999999 312.32599813384667 929.1774700953243 313.3344399999999 C14H11N5O2S 1 657.63 +324 3337 3M-3H 128227 297.28938399999987 297.2896313655258 857.4741367125126 298.29665999999986 C15H14N4O3 1 736.96 +326 1781 3M-3H 560955 227.067404 227.06630456162344 225.25424309313482 228.07468000000003 C10H7Cl2NO 1 888.77 +327 1877 3M-3H 359010 231.10246399999997 231.10174771528952 528.3710116535013 232.10974 C9H11Cl2N3 1 560.83 +329 2852 3M-3H 20637 276.20692500000007 276.2072463022083 454.1765730148023 277.21420100000006 C9H16N3O5P 1 758.24 +330 782 3M-3H 558424 171.1215704 171.12114811183537 424.7915018866291 172.12884640000001 C8H6F2O2 1 698.29 +331 2161 3M-3H 578960 245.22646719999997 245.22640231110657 836.3203526607084 246.23374319999996 C14H11FO3 1 814.63 332 3491 3M-3H 533128 303.29066399999994 303.28935658000466 927.8299914120748 304.2979399999999 C15H16N2O5 1 643.14 +334 2881 3M-3H 506223 278.121964 278.1223361688255 343.17278190525286 279.12924 C13H11BrO2 1 935.02 +335 4141 3M-3H 446587 330.2549567999999 330.2545543093946 655.332630322943 331.2622327999999 C15H13F4NO3 1 933.11 +337 2238 3M-3H 386955 250.070564 250.07082639596433 392.41127843673445 251.07784 C7H11BrN2O3 1 336.6 +338 4184 3M-3H 678019 332.2428039999999 332.24298699294 513.1699914597858 333.2500799999999 C16H22Cl2O3 1 1335.49 342 8972 3M-3H 548701 589.4807439999998 589.4792156522043 1126.3696150698138 590.4880199999998 C21H18O16S2-- 1 791.59 343 1966 3M-3H 580566 235.20683039999994 235.2056792316725 692.848762216732 236.21410639999996 C13H10F2O2 1 858.76 +344 5031 3M-3H 518752 372.28974399999987 372.28923371945905 674.7692553753632 373.29701999999986 C16H13N4O7+ 1 624.86 +345 3364 3M-3H 726177 299.085154 299.086034395238 439.6113780750726 300.09243 C11H9IO2 1 992.5 +347 1242 3M-3H 35795 197.165424 197.16496041845156 308.31983683171995 198.17270000000002 C9H10O5 1 678.14 +349 2502 3M-3H 314255 262.125864 262.12674649566975 375.2706373309139 263.13313999999997 C12H11BrN2 1 733.5 +350 2408 3M-3H 10767 257.22398400000003 257.22490927117 763.9711548871242 258.23126 C9H14N4O5 1 62.62 351 2832 3M-3H 635963 275.277264 275.2774749106858 837.2686972674027 276.28454 C15H16O5 1 792.26 354 2368 3M-3H 579476 256.0805072 256.081233884807 268.5177637449983 257.0877832 C12H7Cl2FO 1 973.33 359 3767 3M-3H 201607 314.27024399999993 314.268703906251 770.1116085724213 315.2775199999999 C16H13NO6 1 766.24 +364 5963 3M-3H 567069 417.18714400000005 417.18644690653275 410.2602443087223 418.19442000000004 C21H33NSn 1 675.54 +372 7848 3M-3H 218909 514.1957469999999 514.1940511451619 450.49385620352797 515.2030229999999 C12H16N5O12P3 1 596.76 +376 3085 3M-3H 169395 286.311344 286.31005607437936 847.3170559006068 287.31862 C17H13N5 1 870.02 +380 2442 3M-3H 289581 259.128505 259.1284328798682 257.5933528263988 260.135781 C6H13O9P 1 243.93 381 1221 3M-3H 553686 196.10467359999998 196.10482750315796 522.363580256877 197.1119496 C6H6F3NO3 1 580.09 382 2852 3M-3H 288452 276.20598400000006 276.2072463022083 454.1765730148023 277.21326000000005 C11H14Cl2N2S 1 975.26 383 2753 3M-3H 510084 272.1246431999999 272.12379409543803 298.6230328159759 273.1319191999999 C9H5F6NO2 1 862.32 +386 6162 3M-3H 476289 426.19236400000017 426.19372144383135 617.5150507981955 427.19964000000016 C20H36O2Sn 1 604.67 +390 3315 3M-3H 169514 296.3459240000001 296.3455260778999 782.915998518195 297.3532000000001 C20H15N3 1 1041.43 +394 2337 3M-3H 537351 254.14692399999998 254.1467289867162 519.5443756801155 255.15419999999997 C11H15BrN2 1 811.63 395 2083 3M-3H 338760 242.089864 242.0894731178167 608.6303462747803 243.09714000000002 C10H11BrO2 1 813.82 +399 4165 3M-3H 287500 331.249244 331.24792879931636 709.3342468286676 332.25651999999997 C13H18BrNO2S 1 992.95 +401 270 M-3H 324515 137.2504237333333 137.2503732136656 1138.4237247203741 414.7730991999999 C17H17ClF6N2O 1 789.82 +405 7 2M-2H 393910 111.1176072 111.11707209942239 999.9674214449866 112.1248832 C6H7FN+ 1 431.58 +406 2563 2M-2H 550851 264.254624 264.25336395929776 818.7325813498362 265.26189999999997 C13H15NO5 1 636.99 +410 8928 2M-2H 509369 586.361684 586.3611639565954 1033.579265441991 587.36896 C30H44O4Sn 1 659.44 +412 9071 2M-2H 854168 599.6030639999999 599.6042249631382 233.82700124423957 600.61034 C31H36O12 1 840.45 +413 1843 2M-2H 635904 229.19396400000002 229.19487346943342 677.1612645020398 230.20124 C6H6N4O4S 1 653.47 +414 108 2M-2H 372761 123.07154499999999 123.07173982247622 162.72817316520081 124.07882099999999 C2H9N2O2P 1 399.38 415 2500 2M-2H 721112 262.10990400000003 262.11104106690283 375.41187918424464 263.11718 C11H12Cl2O3 1 945.68 +416 2135 2M-2H 522937 244.19864719999998 244.19896778660225 737.2543027042659 245.20592319999997 C13H8FNO3 1 780.35 +417 1697 2M-2H 629397 223.046764 223.0458532057753 265.0329607235932 224.05404 C9H6BrNO 1 732.92 418 1319 2M-2H 386452 201.15896400000003 201.15981094907454 213.52257595217702 202.16624000000002 C10H6N2O3 1 689.99 422 419 2M-2H 310532 149.043104 149.04292636029464 368.28188868159 150.05038 CH2N4O5 1 499.11 +423 17 2M-2H 494414 113.03431679999998 113.03473583682427 208.35559757939095 114.04159279999999 C3H2F4 1 750.59 +424 1611 2M-2H 556749 218.04364719999998 218.04371852941745 1264.2293694699956 219.05092319999997 C8H8BrFO 1 949.24 425 2430 2M-2H 555479 258.2434703999999 258.2430412678191 837.6665828901378 259.2507463999999 C15H11F2NO 1 993.06 +428 6551 2M-2H 659900 444.22252399999996 444.22382531952996 530.0904113656417 445.22979999999995 C10H20BrCl3Sn 1 819.34 432 1718 2M-2H 536995 224.07788399999998 224.0784278031693 740.7467699833481 225.08515999999997 C9H9BrN2 1 620.84 +435 5509 2M-2H 366120 395.132204 395.13385620903085 439.79743650670616 396.13948 C16H12Br2S 1 1159.19 +436 711 2M-2H 108390 167.14274400000002 167.1431849378779 587.4026150729005 168.15002 C7H8N2O3 1 547.94 438 1781 2M-2H 307506 227.067404 227.06630456162344 225.25424309313482 228.07468 C10H7Cl2NO 1 714.07 439 1403 2M-2H 298413 206.09291999999996 206.09255555560796 314.94808489839323 207.10019599999995 C8H2F5N 1 887.22 +444 3513 2M-2H 673726 304.21278399999994 304.2117822064903 440.1716046503375 305.22005999999993 C13H14Cl2O2S 1 1153.15 +445 6710 2M-2H 98026 451.13256399999995 451.13310985844396 278.98891768304884 452.13983999999994 C18H16Br2N2O2 1 888 +458 3337 2M-2H 128227 297.28938399999987 297.2896313655258 857.4741367125126 298.29665999999986 C15H14N4O3 1 736.96 459 2507 2M-2H 408600 262.15948399999996 262.15856459314523 229.48870293804077 263.16675999999995 C8H4Cl2N2S2 1 1000.6 +462 1205 2M-2H 36371 195.11308400000004 195.11301770945073 299.51243139184174 196.12036000000003 C6H4N4O4 1 580.55 463 2852 2M-2H 20637 276.20692500000007 276.2072463022083 454.1765730148023 277.21420100000006 C9H16N3O5P 1 758.24 464 782 2M-2H 558424 171.12157040000002 171.12114811183537 424.7915018866291 172.12884640000001 C8H6F2O2 1 698.29 465 2161 2M-2H 578960 245.22646719999997 245.22640231110657 836.3203526607084 246.23374319999996 C14H11FO3 1 814.63 466 3491 2M-2H 533128 303.29066399999994 303.28935658000466 927.8299914120748 304.2979399999999 C15H16N2O5 1 643.14 +468 2881 2M-2H 506223 278.121964 278.1223361688255 343.17278190525286 279.12924 C13H11BrO2 1 935.02 +469 4141 2M-2H 446587 330.2549567999999 330.2545543093946 655.332630322943 331.2622327999999 C15H13F4NO3 1 933.11 +470 3414 2M-2H 698618 300.7619239999999 300.76148976279717 568.3015559454795 301.7691999999999 C13H20ClN3O3 1 822.4 +474 173 2M-2H 283992 129.09146399999997 129.091309958326 320.2666687897601 130.09873999999996 C5H6O4-- 1 603.72 +475 1709 2M-2H 211673 223.20600400000004 223.20587702059032 826.0876066059284 224.21328000000003 C10H12N2O4 1 632.79 476 8972 2M-2H 548701 589.4807439999997 589.4792156522043 1126.3696150698138 590.4880199999998 C21H18O16S2-- 1 791.59 477 1966 2M-2H 580566 235.20683039999997 235.2056792316725 692.848762216732 236.21410639999996 C13H10F2O2 1 858.76 +480 3856 2M-2H 303934 318.2275535999999 318.22742490637995 510.52611625084677 319.2348295999999 C16H8F3NO3 1 918.19 481 1242 2M-2H 35795 197.16542400000003 197.16496041845156 308.31983683171995 198.17270000000002 C9H10O5 1 678.14 +483 2502 2M-2H 314255 262.125864 262.12674649566975 375.2706373309139 263.13313999999997 C12H11BrN2 1 733.5 +485 2832 2M-2H 635963 275.277264 275.2774749106858 837.2686972674027 276.28454 C15H16O5 1 792.26 +486 4280 2M-2H 96477 336.968225 336.9676557727644 1231.863599914749 337.975501 C10H11Br2OP 1 824.47 +487 3702 2M-2H 368078 311.743044 311.7433778383923 520.1545962814616 312.75032 C17H13ClN2O2 1 978.26 +488 2368 2M-2H 579476 256.0805072 256.081233884807 268.5177637449983 257.0877832 C12H7Cl2FO 1 973.33 +489 2163 2M-2H 114971 246.07856400000006 246.07940522895092 282.2195899289361 247.08584000000005 C9H11BrO3 1 869.58 +490 3080 2M-2H 534271 286.236964 286.23742596838093 666.4295809424892 287.24424 C15H11O6- 1 701.16 +491 5395 2M-2H 331788 390.285264 390.2842896589099 624.765871344913 391.29254 C23H16Cl2N2 1 1009.34 +492 5396 2M-2H 331788 390.285264 390.2853240701303 759.0130237361016 391.29254 C23H16Cl2N2 1 1009.34 +493 3767 2M-2H 201607 314.27024399999993 314.268703906251 770.1116085724213 315.2775199999999 C16H13NO6 1 766.24 +495 1140 2M-2H 395178 191.0816368 191.08152954538843 240.372066762199 192.0889128 C3F4O3S 1 761.21 +496 1934 2M-2H 617403 234.06004400000003 234.05911455070313 260.3363906963395 235.06732000000002 C8H8Cl2N2O2 1 734.17 +497 5011 2M-2H 225490 371.3252040000001 371.32621876182145 832.4118392579225 372.3324800000001 C18H27Cl2N3O 1 598.02 +501 2178 2M-2H 25060 246.24264399999998 246.2426702025712 968.8905140611339 247.24991999999997 C12H13N3O3 1 636.23 503 4187 2M-2H 229746 332.3322240000001 332.33127136982904 807.7065074783045 333.3395000000001 C17H30Cl2N2 1 677.44 505 2886 2M-2H 198477 278.15390399999995 278.1540419126307 775.3815147773537 279.16117999999994 C15H12Cl2O 1 1263.69 +507 2832 2M-2H 125070 275.27726399999995 275.2774749106858 837.2686972674027 276.28453999999994 C15H16O5 1 843.5 509 3029 2M-2H 644206 284.33192399999996 284.33103705820065 835.5594672769531 285.33919999999995 C20H15NO 1 1050.46 +513 3302 2M-2H 586092 296.12612399999995 296.12558562755885 342.8517371234462 297.13339999999994 C14H10Cl2O3 1 1041.24 519 6161 2M-2H 476289 426.19236400000017 426.1925362329789 504.9237001547657 427.19964000000016 C20H36O2Sn 1 604.67 521 5828 2M-2H 605602 410.69724399999996 410.69523854837814 251.91498979723437 411.70451999999995 C26H53NO2 1 1021.41 522 1965 2M-2H 855613 235.16880400000002 235.16942378008312 645.9961027726121 236.17608 C8H12O8 1 580.4 523 1531 2M-2H 339761 213.147725 213.14867822324769 537.6359200133072 214.155001 C9H11O4P 1 740.58 525 2307 2M-2H 410741 253.038314 253.03861138284506 399.48309261159727 254.04559 C5H3IO2S 1 738.31 +527 793 2M-2H 675299 172.0913872 172.09121854688863 189.22543040561007 173.0986632 C6H4FNO4 1 430.86 +532 4758 2M-2H 403579 359.22662399999996 359.22562477547297 491.7102068380292 360.23389999999995 C19H15Cl2NO2 1 1127.04 +533 4165 2M-2H 287500 331.249244 331.24792879931636 709.3342468286676 332.25651999999997 C13H18BrNO2S 1 992.95 535 5530 3M-2H 179090 395.3563983999998 395.3552869902878 894.8990640701437 264.2424495999999 C15H11F3O 1 1001.01 +536 4722 3M-2H 548977 357.354574 357.35526481310575 852.5808301539934 238.90789999999998 C5H5Br2N 1 446.96 +537 4431 3M-2H 543120 344.133514 344.13361859945945 416.216349288159 230.09385999999998 C9H9Cl2N3 1 536.43 +545 6800 3M-2H 699839 455.28480549999995 455.282545286161 618.6891846236117 304.19472099999996 C13H9N2O5P 1 779.79 551 4444 3M-2H 328189 344.3145640000001 344.31540077827043 875.2712181239808 230.21456000000006 C10H14O6 1 715.61 +557 4618 3M-2H 203915 353.20975840000006 353.20970531488825 790.2662730024373 236.14468960000002 C9H7F3O4 1 818.01 +558 6611 3M-2H 188526 447.11073400000004 447.1124493444214 244.68695822896734 298.74534 C12H11ClN2O3S 1 815.33 +559 6322 3M-2H 246663 433.1137540000001 433.1128889026456 410.08922957667005 289.41402000000005 C21H23N 0 1070.37 +560 3901 3M-2H 677125 320.2014784 320.19996087901785 822.2355400979312 214.1391696 C7H9F3O4 1 747.94 +561 1796 3M-2H 430703 227.21865399999996 227.2196947195458 816.7905094459483 152.15061999999998 C7H8N2O2 1 261.6 +563 7416 3M-2H 613384 489.2276140000001 489.2268581760124 841.2227212445335 326.82326000000006 C18H19ClN4 0 848.71 +564 9160 3M-2H 264064 607.348864 607.3465492949667 723.6793114134914 405.57076000000006 C24H39NO4 1 740.96 571 6209 3M-2H 564971 428.2102540000001 428.20909746612335 565.2843226312119 286.14502000000005 C10H8BrNO2S 1 1077.92 +574 3028 3M-2H 645256 284.295574 284.29480625061433 1005.0218752110954 190.2019 C9H10N4O 1 612.23 576 6381 3M-2H 654608 435.707584 435.7093021138717 198.42515249445304 291.14324 C13H11BrN2O 1 888.33 +577 4184 3M-2H 312022 332.24437839999996 332.24298699294 513.1699914597858 222.16776959999996 C7H9F3N4O 1 693.93 581 8505 3M-2H 235905 556.2373239999998 556.2388285363534 398.0273451434166 371.49639999999994 C20H25N3O2S 0 890.58 +582 10291 3M-2H 262346 725.8249683999999 725.8275834483056 189.20781240446138 484.55482959999995 C22H23F3N2O3S2 0 1157.59 +583 4368 3M-2H 560955 341.10474400000004 341.1056187383655 345.72920314724854 228.07468000000003 C10H7Cl2NO 1 888.77 +585 3244 3M-2H 36371 293.1732640000001 293.1745522085238 707.1330845926343 196.12036000000003 C6H4N4O4 1 580.55 +586 4507 3M-2H 112847 347.31504550000005 347.31498552297774 917.4865609397782 232.21488100000005 C13H13O2P 1 755.74 589 7795 3M-2H 485407 510.3271240000002 510.3263436163278 769.8518059630995 340.88960000000014 C21H25ClN2 1 975.1 590 5374 3M-2H 684413 389.36079399999994 389.35942532573813 1046.2911523172081 260.24537999999995 C13H12N2O4 1 672.55 +591 3380 3M-2H 559027 299.2334583999999 299.23205206002183 310.81992230331355 200.16048959999992 C9H7F3N2 1 770.37 +593 8065 3M-2H 143106 527.2671339999999 527.2665287923859 522.3083878489468 352.18294000000003 C8H6ClHgN 1 313.89 +594 8066 3M-2H 143106 527.2671339999999 527.2681503488072 684.1960221324186 352.18294000000003 C8H6ClHgN 1 313.89 +595 4308 3M-2H 42856 338.143078 338.14292198043813 366.50391558298475 226.100236 C8H3F5O2 1 958.44 597 8633 3M-2H 327580 565.2020188 565.2005175980054 224.2750642215683 377.47286320000006 C20H24FNO3S 0 630.54 +598 8003 3M-2H 662490 522.2309440000001 522.2322644785402 504.85026948905005 348.8254800000001 C21H17ClN2O 1 1212.1 599 6860 3M-2H 561805 457.72887399999996 457.72746206890065 359.88944628521716 305.8241 C12H20ClN3O2S 1 136.16 +600 7100 3M-2H 390226 471.169474 471.1692750127691 362.3995163934105 314.7845 C14H15ClO4S 0 898.98 +604 7911 3M-2H 572848 517.243564 517.2413417801608 726.8400546096259 345.50056 C14H19NO3S3 1 1036.71 +605 7867 3M-2H 213761 514.773394 514.7718891308291 353.0055154776991 343.85378000000003 C18H22ClN5 0 905 +610 3468 3M-2H 33110 302.304364 302.30507624823395 1024.4209631280255 202.20776 C8H14N2O4 1 132.28 +611 3547 3M-2H 120806 305.263594 305.26422743043355 920.8539267593213 204.18058 C7H12N2O5 1 150.51 +612 1796 3M-2H 31062 227.21865399999996 227.2196947195458 816.7905094459483 152.15061999999998 C7H8N2O2 1 308.82 +616 11168 3M-2H 132685 830.8898439999999 830.8888928492145 396.4102547272398 554.59808 C24H22N6O6S2 1 857.34 +618 11015 3M-2H 561908 809.6491090000003 809.6495367616922 1188.3473928188396 540.4375900000002 C23H33IN4O3 1 873.23 619 11016 3M-2H 561908 809.6491090000003 809.6526177089261 1121.383023111729 540.4375900000002 C23H33IN4O3 1 873.23 622 7037 3M-2H 8739 467.34840399999985 467.3471741946057 762.8047444040274 312.2371199999999 C14H8N4O5 1 716.36 623 3540 3M-2H 203918 305.2115584 305.2109603574756 686.7250451632166 204.14588959999998 C9H7F3O2 1 761.98 +624 8761 3M-2H 31037 573.2691639999999 573.2664415331907 399.04807678983144 382.85096 C14H14Hg 0 761.21 +625 8762 3M-2H 31037 573.2691639999999 573.2719672828355 636.5862174937381 382.85096 C14H14Hg 0 761.21 +626 4044 3M-2H 94000 326.305774 326.30498278718306 862.6013900842893 218.2087 C11H10N2O3 1 623.46 +627 4628 3M-2H 197725 353.323744 353.32375265819417 884.5706710482588 236.22068 C12H12O5 1 783.35 +628 3669 3M-2H 432515 310.176214 310.1760172844744 350.9091713092961 207.45566 C5H4BrClN2 1 640.89 +629 3179 3M-2H 346025 290.2687240000001 290.2688933470891 996.4979418143222 194.18400000000003 C10H10O4 1 658.69 630 2949 3M-2H 241495 281.1850936 281.185688701175 429.06325770329903 188.12824640000002 C8H6F2O3 1 724.02 631 3904 3M-2H 339761 320.2252255 320.22494772485265 615.787871306851 214.155001 C9H11O4P 1 740.58 632 8185 3M-2H 530147 535.1675739999998 535.1689343662316 970.5198876097174 357.4498999999999 C17H15N3O2S2 0 1070.65 +633 9961 3M-2H 475461 686.8456839999997 686.8436302566956 356.7651912510297 458.56863999999985 C28H26O4S 1 895.8 634 162 3M-2H 299339 128.061994 128.06226848994274 483.91516175061133 86.04617999999999 C3H2O3 0 537.37 635 3104 3M-2H 553532 287.222614 287.22152088584266 890.667222759819 192.15326000000002 C3H4N4O4S 1 565.91 636 8051 3M-2H 609966 526.247914 526.2493313875569 563.9807170743236 351.50346 C19H29NO3S 1 1097.47 +637 8266 3M-2H 403579 539.3435739999999 539.3415300293957 642.703387703357 360.23389999999995 C19H15Cl2NO2 1 1127.04 638 9335 3M-2H 231173 621.2885139999997 621.2859257589316 258.9269612417862 414.8638599999999 C16H19ClN4O5S 1 540.28 +641 3134 M-2H 646459 288.2528439999999 288.253374252078 762.5582227418752 578.5202399999998 C30H26O12 1 772.69 +642 977 M-2H 719160 181.758514 181.75925066680315 265.1377724190307 365.53157999999996 C23H27NOS 1 848.78 +643 1822 M-2H 798030 228.203414 228.2040105390728 843.9622344240522 458.42138 C21H22N4O8 1 656.66 +644 579 M-2H 391249 159.116404 159.11704234893566 632.5455158142607 320.24735999999996 C15H14BrNS 1 1019.77 645 1116 M-2H 660832 189.15906399999992 189.1596424500623 268.8362975120546 380.3326799999998 C14H12N4O7S 1 735.63 +648 4361 M-2H 852562 340.34816400000005 340.34794105499554 1033.569340210357 682.7108800000001 C36H42O13 1 1005.35 656 1340 M-2H 110891 202.166904 202.16722814334844 631.1260739803711 406.34835999999996 C20H14N4O6 1 797.94 659 691 M-2H 517633 166.96913400000008 166.96869982813024 209.03017736892735 335.95282000000014 C18H38ClNO2 0 874.94 +663 3179 M-2H 59917 290.2695356 290.2688933470891 996.4979418143222 582.5536232 C28H23FN2O9S 1 963.66 665 280 M-2H 168562 138.099874 138.09961849203805 458.4086390508118 278.2143 C13H10O7 0 693.04 667 248 M-2H 636794 136.04831399999998 136.04804884008936 1268.4216081004365 274.11117999999993 C10H12BrNO3 0 821.41 668 1984 M-2H 501825 236.19981399999992 236.2008685627769 625.5252100636621 474.4141799999998 C23H22O11 1 735.33 +669 306 M-2H 728772 140.11575399999998 140.11556943231912 466.8021427274064 282.24605999999994 C13H14O7 1 729.78 +671 2687 M-2H 561908 269.2115190000001 269.21099160364656 641.2093898652845 540.4375900000002 C23H33IN4O3 1 873.23 677 4709 2M-H 736190 357.16648399999997 357.1674173018073 572.5602008649976 179.08687999999998 C8H12Cl2 0 1026.63 +687 6043 2M-H 637020 421.10988399999997 421.10962182546893 524.3243908130625 211.05857999999998 C8H7BrN2 1 747.57 688 11770 2M-H 128922 915.2417239999999 915.2415807879911 1047.072294965069 458.12449999999995 C15H10Br2N2O3S 0 1013.2 +689 11771 2M-H 128922 915.2417239999999 915.2453101952872 964.8984360467456 458.12449999999995 C15H10Br2N2O3S 1 1013.2 690 9323 2M-H 587155 619.5283831999997 619.5254033453656 1205.3320325682676 310.26782959999986 C16H13F3O3 0 1041.01 +697 10063 2M-H 674727 697.8451640000001 697.8437902724994 570.6999276545107 349.42622000000006 C21H23N3O2 1 1046.46 +698 6263 2M-H 568649 430.25992400000007 430.2616364639475 619.0706431334157 215.63360000000003 C9H10ClNO3 1 716.96 +699 3016 2M-H 801 284.158484 284.1572760668513 607.9773653991842 142.58288 C7H7ClO 1 734.64 +700 9371 2M-H 380707 625.3763640000001 625.3769355404445 777.9075368256758 313.19182000000006 C16H13BrN2 0 1165.4 702 5366 2M-H 120162 389.25732400000004 389.25685092768003 380.61801297742187 195.13230000000001 C7H5N3O4 1 642.33 +703 7431 2M-H 499771 490.20618319999994 490.2070171248199 603.8898344882864 245.60672959999997 C6H3ClF3NO2S 1 787.99 +712 7339 2M-H 11024 484.21793679999985 484.21683904661995 412.40368334738014 242.61260639999992 C9H5ClF2N4 1 817.62 714 7945 2M-H 94717 519.139684 519.1376521502913 966.5501947870165 260.07348 C10H7Cl2NO3 0 788.81 +715 8350 2M-H 89055 545.3454459999999 545.3445754692827 745.7699920779214 273.176361 C10H14NNa2O3P 0 640.45 +722 3547 2M-H 46744 305.263484 305.26422743043355 920.8539267593213 153.13538 C7H7NO3 1 597.97 +725 9355 2M-H 203759 622.9738440000001 622.9725850876682 402.7444046398912 311.9905600000001 C9H9BrCl2N2O 0 839.15 +728 12560 2M-H 293868 1047.1705239999997 1047.1655119735417 962.6971864884902 524.0888999999999 C16H14I2O4 0 927.01 729 920 2M-H 46177 179.15520400000003 179.1545928408054 277.26669457734664 90.08124000000001 C2H6N2O2 1 250.8 +731 5415 2M-H 36371 391.2334440000001 391.2316791617279 339.28814826344995 196.12036000000003 C6H4N4O4 1 580.55 +737 5480 2M-H 500100 394.14324400000004 394.142865574746 425.3680179016036 197.57526000000001 C8H4ClNO3 1 736.7 +738 12497 2M-H 16950 1035.5059039999999 1035.5092094394083 825.8316424632001 518.25659 C7H2ClI3O 0 1167.83 +742 6172 2M-H 683828 426.3112040000001 426.31062852696186 715.6392291470244 213.65924000000004 C7H16ClNO4 1 439.64 +743 4469 2M-H 513488 345.29916399999996 345.2995898653318 923.8753877771007 173.15321999999998 C3H3N5O2S 1 601.37 745 10596 2M-H 618957 762.1775640000003 762.1797509437309 976.9380234607487 381.5924200000002 C23H43NO3 1 913.37 +749 4924 2M-H 702326 367.26538320000003 367.2670311383823 691.4010826994943 184.1363296 C5H3F3O2S 1 833.91 +750 3514 2M-H 430328 304.23424400000005 304.23475693376076 700.861961189452 152.62076000000002 C9H9Cl 1 988.89 751 6712 2M-H 42856 451.193196 451.19354924203606 602.9007533277143 226.100236 C8H3F5O2 1 958.44 752 7776 2M-H 45400 509.381044 509.3824266297794 651.0531380361837 255.19415999999998 C6H9N9O3 1 156.48 753 2449 2M-H 283992 259.19020399999994 259.1904833078221 612.2628819413504 130.09873999999996 C5H6O4-- 1 603.72 +754 10489 2M-H 73339 749.8432840000002 749.8426670145832 271.6701072437521 375.4252800000001 C24H17N5 0 767.31 756 6145 2M-H 167929 425.2683032 425.26839769132226 764.1821356628285 213.1377896 C4H2F3N3O2S 1 603.17 +757 11185 2M-H 261193 832.6988839999997 832.6980540468086 1159.0486922756504 416.85307999999986 C25H17ClO4 1 1220.38 +759 2589 2M-H 631787 265.293884 265.29517183299873 322.5121115403787 133.15058 C7H7N3 1 635.1 +761 6738 2M-H 676448 452.391324 452.39326724493543 1069.0518695444348 226.6993 C12H15ClO2 1 870.6 +762 10157 2M-H 252229 711.823844 711.8217694938315 263.49022202820254 356.41556 C20H24N2O4 1 721.25 +769 9655 2M-H 293712 650.1371640000003 650.1367824695517 962.6102427384537 325.5722200000002 C21H43NO 1 808.53 +771 11576 2M-H 275512 884.1679639999999 884.1688660407488 384.6246547404603 442.58761999999996 C27H38O5 0 819.58 772 10611 2M-H 65118 763.1815335999995 763.1802890698991 976.7367134287065 382.0944047999998 C8H4F14O 0 866.44 773 6184 2M-H 323495 427.197284 427.1954433472972 478.9598299625593 214.10228 C9H12BrN 1 670.35 774 6185 2M-H 323495 427.197284 427.1978126107141 567.9106069627792 214.10228 C9H12BrN 1 670.35 775 6666 2M-H 477073 449.15996399999995 449.158180812717 185.37008873842728 225.08361999999997 C6H13BrN2O2 1 161.93 +778 6263 2M-H 653485 430.25992400000007 430.2616364639475 619.0706431334157 215.63360000000003 C9H10ClNO3 1 748.24 +779 6054 2M-H 614240 421.207706 421.20588462639597 449.088311087669 211.10749099999998 C7H9NaO4P+ 1 93.17 780 6055 2M-H 614240 421.207706 421.20704201838197 403.20448346284206 211.10749099999998 C7H9NaO4P+ 1 93.17 783 4302 2M-H 670734 337.271964 337.27348632873094 719.1807370005789 169.13962 C9H3N3O 1 719.55 +784 1388 2M-H 348464 205.08920399999997 205.0897255889658 429.27892203450426 103.04823999999998 C5H6LiNO 1 707.99 785 8605 2M-H 728772 563.4848439999998 563.4860604004659 1095.0787461237937 282.24605999999994 C13H14O7 1 729.78 +787 8529 2M-H 198477 557.3150839999998 557.3124694401018 657.1485856446161 279.16117999999994 C15H12Cl2O 1 1263.69 +789 6244 2M-H 428165 429.2998968 429.2991621172817 655.0689719674988 215.1535864 C9H7F2NO3 1 703.58 +795 10284 2M-H 641807 725.3783431999997 725.3769256612234 1136.7808679269672 363.19280959999986 C14H10BrF3OS 0 1295.91 +796 8143 2M-H 579545 532.2971704 532.2948302679996 457.767666888489 266.65222320000004 C13H8ClFO3 1 851.56 797 3978 2M-H 195728 324.01918959999995 324.02009747658997 249.3569902101932 162.51323279999997 C4H3ClF4 1 710.25 808 10007 2M-H 106828 691.4073639999997 691.4049440588556 715.8816750263898 346.20731999999987 C18H13Cl2NO2 1 1174.27 +811 8830 2M-H 666036 578.3737239999997 578.3765041629631 698.6058467453568 289.6904999999999 C15H10ClO4- 0 923.11 813 10845 2M-H 386012 790.147684 790.1493161280516 927.0798272891047 395.57748000000004 C26H37NO2 1 857.85 +815 6925 2M-H 724048 461.337844 461.3374978808212 912.551879761659 231.17256 C11H19Br 1 1261.79 817 10627 2M-H 716323 764.3722440000001 764.3699408369466 341.2318675153375 382.6897600000001 C22H34N2Si2 0 1523.75 +818 11101 3M-H 526347 821.9081631999996 821.9055511222757 699.9431372680351 274.3051463999999 C17H16F2O 0 1078.84 +819 11102 3M-H 526347 821.9081631999996 821.9087186316879 716.5251017052879 274.3051463999999 C17H16F2O 0 1078.84 +820 11611 3M-H 301790 891.236404 891.2351277755189 1155.1931224527402 297.41456 C18H19NOS 1 750.42 +821 8217 3M-H 736190 536.2533639999999 536.2537728235727 618.1782237591153 179.08687999999998 C8H12Cl2 0 1026.63 +825 12413 3M-H 247760 1017.1623640000001 1017.1597879824942 770.5596239488053 339.38988000000006 C22H17N3O 0 879.05 826 6021 3M-H 590394 419.2833039999999 419.2822430756684 488.9327793647439 140.09685999999996 C5H4N2O3 1 534.63 827 12226 3M-H 425219 987.1633839999996 987.1590585779095 897.285156940234 329.3902199999999 C19H23NO4 0 270.98 828 12227 3M-H 425219 987.1633839999996 987.1632262563895 989.250715519347 329.3902199999999 C19H23NO4 0 270.98 829 8665 3M-H 213536 566.505064 566.5046208093027 1094.2654634282203 189.17078 C9H7N3O2 1 637.5 +832 11725 3M-H 132541 910.2135039999998 910.2129555370623 1018.3522995534215 303.74026 C16H14ClNO3 0 825.42 833 11726 3M-H 132541 910.2135039999998 910.2166320801746 1019.2591440415786 303.74026 C16H14ClNO3 0 825.42 +836 9068 3M-H 493218 599.377987 599.3777046000396 759.26969556936206 200.128421 C8H9O4P-- 1 626.45 837 11918 3M-H 269339 935.6941839999997 935.6903454442872 339.11395030844074 312.2338199999999 C15H8N2O6 0 696.63 838 12350 3M-H 129610 1008.196204 1008.195363475968 1029.6135221899451 336.40116 C14H24O7S 1 802.02 840 8272 3M-H 588691 539.743144 539.7417824562763 268.78929761091877 180.25014000000002 C9H16N4 1 151.75 841 9387 3M-H 434086 626.7872439999999 626.7853881888022 266.6284942627759 209.26484 C10H11NO2S 1 687.9 842 9518 3M-H 346499 635.9880039999998 635.9906547762653 966.0101587782324 212.33175999999995 C12H24N2O 1 479.36 +843 9901 3M-H 218840 680.6443840000001 680.6418695735132 271.579433562224 227.21722000000003 C9H13N3O4 0 601.03 +845 10852 3M-H 361183 790.864084 790.862129470586 275.18136602927177 263.95712000000003 C8H8Br2 1 953.14 +846 11743 3M-H 64184 912.2128870000001 912.2134988884143 1002.6572921643831 304.40672100000006 C19H29OP 1 1018.66 849 10304 3M-H 11024 726.8305431999997 726.8336382447819 280.93480738688504 242.61260639999992 C9H5ClF2N4 0 817.62 +850 11622 3M-H 97117 894.0714039999999 894.0731682023977 292.2802267292328 298.35956 C16H14N2O2S 1 745.38 +851 10770 3M-H 661315 781.010104 781.0078328825268 240.95712315526822 260.67246 C14H9ClO3 1 849.99 +852 10852 3M-H 31157 790.8640839999998 790.862129470586 275.18136602927177 263.95712 C8H8Br2 1 973.01 +853 10834 3M-H 672611 788.859964 788.8603502331005 301.6754667482057 263.28908 C14H17NO4 1 657.11 +855 10959 3M-H 132924 804.3890475999997 804.3888718208922 313.21614105186376 268.46544119999993 C2H5ClF6N2P2 0 798.33 856 10707 3M-H 516961 774.1381839999998 774.1354604971165 885.5754468409853 258.38181999999995 C15H18N2S 1 1024.85 858 9523 3M-H 495443 636.375904 636.3760878302335 694.3698323322667 212.46106 C6H4Cl3NO 0 891.6 +859 9524 3M-H 495443 636.375904 636.3782405863881 731.6985595338334 212.46106 C6H4Cl3NO 1 891.6 +861 11742 3M-H 123903 912.1548039999998 912.1506608582682 997.9547783701286 304.38735999999994 C16H24N4O2 1 614.22 +869 9783 3M-H 312022 665.4960327999999 665.4990822226264 922.4344537854383 222.16776959999996 C7H9F3N4O 0 693.93 +872 11837 3M-H 346797 924.2395239999998 924.2434200668656 1123.5341731246708 308.4156 C24H20 1 1018.16 +873 11606 3M-H 386413 890.207827 890.2041807577668 930.2956109618922 297.071701 C10H11Cl2O4P 0 887.36 874 10038 3M-H 359010 695.3219439999999 695.3199954469256 238.03481619185408 232.10974 C9H11Cl2N3 1 560.83 875 9518 3M-H 83741 635.988004 635.9906547762653 966.0101587782324 212.33176000000003 C12H24N2O 1 555.68 +880 10184 3M-H 88403 715.1326239999999 715.1309762597521 898.1251970545998 238.71329999999998 C12H15ClN2O 0 318.31 +881 10185 3M-H 88403 715.1326239999999 715.1335418561658 915.1959983278598 238.71329999999998 C12H15ClN2O 1 318.31 +882 10186 3M-H 88403 715.1326239999999 715.136101931146 246.08498603973965 238.71329999999998 C12H15ClN2O 1 318.31 +883 3832 3M-H 445333 317.173447 317.17484542501256 625.4491445600838 106.060241 C3H7O2P 1 302.82 +884 11194 3M-H 223696 834.2413239999998 834.2382471774956 1128.0118255974257 278.41619999999995 C12H10N2S3 1 1167.81 885 8904 3M-H 440588 584.7672639999998 584.7665417709178 225.05364814901802 195.25817999999998 C11H17NO2 1 368.91 886 11245 3M-H 24096 839.9508639999997 839.9514496785914 453.66636913541026 280.3193799999999 C21H12O 1 1055.07 +888 11043 3M-H 657321 812.8662039999999 812.8680560529879 220.14193110387927 271.29116 C14H9NO3S 1 937.35 +890 12423 3M-H 400884 1020.2313039999997 1020.2269893552025 1073.5113370367844 340.4128599999999 C21H24O4 1 970.11 +891 5371 3M-H 283992 389.2889439999999 389.2877684616659 728.6341560885262 130.09873999999996 C5H6O4-- 1 603.72 +892 10263 3M-H 422594 722.8579239999999 722.8558565546002 365.69076799434 241.28839999999997 C14H15N3O 1 402.32 +893 6597 3M-H 373981 446.24766700000004 446.2484797087347 930.1263773079822 149.084981 C4H8NO3P 1 588.75 +894 10950 3M-H 618031 802.6874439999999 802.6863807270048 1215.5523668978249 267.89824 C5HBrCl2N4 1 885.6 +895 11622 3M-H 126277 894.0714039999998 894.0731682023977 292.2802267292328 298.35955999999993 C16H14N2O2S 1 899.66 +896 10828 3M-H 314255 788.3921439999999 788.3937701018939 344.23424081456636 263.13313999999997 C12H11BrN2 0 733.5 +897 12131 3M-H 475954 972.0639639999996 972.0599688298274 431.66001912480056 324.3570799999999 C16H12N4O2S 0 735.63 +898 10263 3M-H 618342 722.8579239999999 722.8558565546002 365.69076799434 241.28839999999997 C14H15N3O 1 578.85 +899 12382 3M-H 96477 1012.919227 1012.920048310624 374.90715080948894 337.975501 C10H11Br2OP 0 824.47 901 12365 3M-H 576525 1010.4985839999999 1010.5018453147634 852.7321124167711 337.16862 C14H13BrN2O3 0 827.64 902 11899 3M-H 98196 933.7032669999999 933.7040645791576 296.52813950512166 311.570181 C9H18Cl3O3P 1 947.5 +906 9387 3M-H 629092 626.787244 626.7853881888022 266.6284942627759 209.26484000000002 C10H11NO2S 1 714.74 907 9421 3M-H 118950 629.3894823999998 629.3876951806253 740.480544976527 210.13225279999995 C6H6F4N4 0 344.43 +910 5715 3M-H 439935 404.36292399999996 404.3630892326235 857.988166135078 135.12339999999998 C6H5N3O 1 322.63 +911 11969 3M-H 102001 942.1247439999996 942.1217613177511 1006.8670876504438 314.3773399999999 C15H26N2O5 1 629.87 +912 11567 3M-H 420421 881.9020839999997 881.9012322880058 335.5169105156095 294.3031199999999 C14H18N2O5 0 740.26 +913 9109 3M-H 414654 602.666344 602.6658226922298 1251.1164718556352 201.22454 C11H11N3O 1 556.55 +915 7248 3M-H 476089 479.248372 479.24819225518445 577.5327740473311 160.085216 C5H5F5 0 575.76 +918 9755 3M-H 666003 662.8046535999998 662.8049541854859 265.17991211238893 221.27064319999997 C13H16FNO 0 858.43 +920 10043 3M-H 218670 696.0861040000001 696.085794326937 914.6720297915502 232.36446000000004 C15H24N2 1 347.65 +921 11664 3M-H 301793 899.7813639999997 899.7828222912422 775.995542151558 300.26287999999994 C16H12O6 0 813.01 +923 11491 3M-H 734371 870.1943439999998 870.1966641747879 1069.455996320829 290.4005399999999 C17H26N2O2 1 585.67 +926 11464 3M-H 40326 866.6575270000002 866.6594170226196 1222.1543173175887 289.2216010000001 C11H16NO6P 0 808.82 +928 12770 3M-H 587410 1083.229204 1083.2297662911794 1043.3295337319614 361.41216 C18H19NO5S 0 725.57 929 7 M-H 393910 111.1176072 111.11707209942239 999.9674214449866 112.1248832 C6H7FN+ 1 431.58 930 2563 M-H 550851 264.254624 264.25336395929776 818.7325813498362 265.26189999999997 C13H15NO5 1 636.99 931 1830 M-H 543120 229.086584 229.08611408412693 562.0335336216543 230.09385999999998 C9H9Cl2N3 1 536.43 932 2966 M-H 418708 282.15372399999995 282.15281823688423 437.2514812674219 283.16099999999994 C13H15BrO2 1 1235.38 934 8928 M-H 509369 586.361684 586.3611639565954 1033.579265441991 587.36896 C30H44O4Sn 1 659.44 +935 1198 M-H 183447 194.191224 194.19057856792188 370.632367863892 195.1985 C7H5N3O2S 1 581.12 +938 108 M-H 372761 123.07154499999999 123.07173982247622 162.72817316520081 124.07882099999999 C2H9N2O2P 1 399.38 +940 2135 M-H 522937 244.19864719999998 244.19896778660225 737.2543027042659 245.20592319999997 C13H8FNO3 1 780.35 +943 5076 M-H 96094 374.2475439999999 374.2474134446069 869.0009913098183 375.2548199999999 C16H23BrO5 1 1042.64 944 4779 M-H 169178 360.23748500000005 360.237707046871 521.2758792894608 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 945 713 M-H 251020 167.18250400000002 167.18197571349796 226.66675866892558 168.18978 C9H12O3 1 700.59 946 419 M-H 310532 149.043104 149.04292636029464 368.28188868159 150.05038 CH2N4O5 1 499.11 +947 17 M-H 494414 113.03431679999998 113.03473583682427 208.35559757939095 114.04159279999999 C3H2F4 1 750.59 +948 1611 M-H 556749 218.04364719999998 218.04371852941745 1264.2293694699956 219.05092319999997 C8H8BrFO 1 949.24 +950 4717 M-H 370426 357.22736319999984 357.22598222511033 648.102033981841 358.23463919999983 C17H8F6O2 1 913.72 951 6550 M-H 659900 444.22252399999996 444.2225703323556 544.2930644741886 445.22979999999995 C10H20BrCl3Sn 1 819.34 +957 1719 M-H 536995 224.07788399999998 224.078428299604 1251.0374993436599 225.08515999999997 C9H9BrN2 1 620.84 +959 5509 M-H 366120 395.132204 395.13385620903085 439.79743650670616 396.13948 C16H12Br2S 1 1159.19 +964 2161 M-H 584139 245.22646719999997 245.22640231110657 836.3203526607084 246.23374319999996 C14H11FO3 1 719.12 965 2432 M-H 94717 259.066204 259.0658879396751 1183.0009566369708 260.07348 C10H7Cl2NO3 1 788.81 +966 2759 M-H 89055 272.169085 272.16822530148113 536.645268309844 273.176361 C10H14NNa2O3P 1 640.45 +967 2216 M-H 641278 248.2304072 248.2299392575593 817.0581556280591 249.2376832 C13H12FNO3 1 1000.54 +969 6710 M-H 98026 451.13256399999995 451.13310985844396 278.98891768304884 452.13983999999994 C18H16Br2N2O2 1 888 +971 5921 M-H 669000 415.2127840000001 415.21188985214485 756.0681276798817 416.2200600000001 C19H39NOSn 1 596.9 +972 5922 M-H 669000 415.2127840000001 415.2130292363114 872.9352270011395 416.2200600000001 C19H39NOSn 1 596.9 +973 519 M-H 501686 155.08568400000001 155.08562167610742 517.7265456858881 156.09296 C6H4O5 1 603.27 +976 2058 M-H 561088 241.0372272 241.03825026338717 512.7959394720551 242.04450319999998 C9H5BrFNO 1 762.12 +977 8302 M-H 442240 541.4482059999998 541.4486870819673 919.9872697461033 542.4554819999998 C30H24O6P2 1 1061.76 +984 1781 M-H 560955 227.06740400000004 227.06630456162344 225.25424309313482 228.07468000000003 C10H7Cl2NO 1 888.77 +986 1205 M-H 36371 195.11308400000004 195.11301770945073 299.51243139184174 196.12036000000003 C6H4N4O4 1 580.55 +989 2161 M-H 578960 245.22646719999997 245.22640231110657 836.3203526607084 246.23374319999996 C14H11FO3 1 814.63 +990 3491 M-H 533128 303.29066399999994 303.28935658000466 927.8299914120748 304.2979399999999 C15H16N2O5 1 643.14 +991 4524 M-H 220366 348.230424 348.2314003182307 843.5271307787768 349.2377 C15H10Cl2N4S 1 1001.01 +993 4141 M-H 446587 330.2549567999999 330.2545543093946 655.332630322943 331.2622327999999 C15H13F4NO3 1 933.11 +995 2238 M-H 386955 250.07056400000002 250.07082639596433 392.41127843673445 251.07784 C7H11BrN2O3 1 336.6 +996 4184 M-H 678019 332.2428039999999 332.24298699294 513.1699914597858 333.2500799999999 C16H22Cl2O3 1 1335.49 +1000 8972 M-H 548701 589.4807439999997 589.4792156522043 1126.3696150698138 590.4880199999998 C21H18O16S2-- 1 791.59 1001 1966 M-H 580566 235.20683039999997 235.2056792316725 692.848762216732 236.21410639999996 C13H10F2O2 1 858.76 1006 2653 M-H 396563 268.137624 268.1369373413856 402.16738757831087 269.1449 C9H10Cl2O3S 1 988.6 +1008 2408 M-H 10767 257.22398400000003 257.22490927117 763.9711548871242 258.23126 C9H14N4O5 1 62.62 1009 2832 M-H 635963 275.277264 275.2774749106858 837.2686972674027 276.28454 C15H16O5 1 792.26 1011 3702 M-H 368078 311.743044 311.7433778383923 520.1545962814616 312.75032 C17H13ClN2O2 1 978.26 +1012 2368 M-H 579476 256.0805072 256.081233884807 268.5177637449983 257.0877832 C12H7Cl2FO 1 973.33 1015 5395 M-H 331788 390.285264 390.2842896589099 624.765871344913 391.29254 C23H16Cl2N2 1 1009.34 +1016 5396 M-H 331788 390.285264 390.2853240701303 759.0130237361016 391.29254 C23H16Cl2N2 1 1009.34 1017 3767 M-H 201607 314.27024399999993 314.268703906251 770.1116085724213 315.2775199999999 C16H13NO6 1 766.24 1018 3332 M-H 586826 297.2067935999999 297.20609426968355 610.5279461951359 298.2140695999999 C14H9F3O4 1 844.28 +1020 1934 M-H 617403 234.06004400000003 234.05911455070313 260.3363906963395 235.06732000000002 C8H8Cl2N2O2 1 734.17 +1021 5011 M-H 225490 371.3252040000001 371.32621876182145 832.4118392579225 372.3324800000001 C18H27Cl2N3O 1 598.02 +1023 5964 M-H 567069 417.18714400000005 417.18758874456216 740.8268359989653 418.19442000000004 C21H33NSn 1 675.54 +1024 2518 M-H 864457 263.05635400000006 263.0564392589322 676.02181304032 264.06363000000005 C7H9IN2O 1 470.42 1025 2178 M-H 25060 246.24264399999998 246.2426702025712 968.8905140611339 247.24991999999997 C12H13N3O3 1 636.23 +1029 2886 M-H 198477 278.15390399999995 278.1540419126307 775.3815147773537 279.16117999999994 C15H12Cl2O 1 1263.69 +1030 7848 M-H 218909 514.1957469999999 514.1940511451619 450.49385620352797 515.2030229999999 C12H16N5O12P3 1 596.76 +1031 2832 M-H 125070 275.27726399999995 275.2774749106858 837.2686972674027 276.28453999999994 C15H16O5 1 843.5 1039 1221 M-H 553686 196.1046736 196.10482750315796 522.363580256877 197.1119496 C6H6F3NO3 1 580.09 1040 2852 M-H 288452 276.20598400000006 276.2072463022083 454.1765730148023 277.21326000000005 C11H14Cl2N2S 1 975.26 +1041 2753 M-H 510084 272.1246431999999 272.12379409543803 298.6230328159759 273.1319191999999 C9H5F6NO2 1 862.32 +1042 6160 M-H 476289 426.19236400000017 426.1913573894255 657.8727617430734 427.19964000000016 C20H36O2Sn 1 604.67 1045 5828 M-H 605602 410.69724399999996 410.69523854837814 251.91498979723437 411.70451999999995 C26H53NO2 1 1021.41 +1046 1965 M-H 855613 235.16880400000002 235.16942378008312 645.9961027726121 236.17608 C8H12O8 1 580.4 1051 793 M-H 675299 172.0913872 172.09121854688863 189.22543040561007 173.0986632 C6H4FNO4 1 430.86 1053 2083 M-H 338760 242.08986400000003 242.0894731178167 608.6303462747803 243.09714000000002 C10H11BrO2 1 813.82 +1054 3721 M-H 361746 312.3271639999999 312.32599813384667 929.1774700953243 313.3344399999999 C14H11N5O2S 1 732.75 +1055 713 M-H 385619 167.18250400000002 167.18197571349796 226.66675866892558 168.18978 C9H12O3 1 673.31 1056 4758 M-H 403579 359.22662399999996 359.22562477547297 491.7102068380292 360.23389999999995 C19H15Cl2NO2 1 1127.04 1057 4165 M-H 287500 331.249244 331.24792879931636 709.3342468286676 332.25651999999997 C13H18BrNO2S 1 992.95 +1058 9103 2M-2H+NH4 227007 602.315271 602.3145659210227 631.281742232923 293.148 C14H10Cl2N2O 1 989.46 +1059 9104 2M-2H+NH4 227007 602.315271 602.316549634827 685.1450123816066 293.148 C14H10Cl2N2O 1 989.46 +1060 8841 2M-2H+NH4 632913 579.2506501999999 579.251035828388 402.40352387296684 281.61568959999994 C10H7ClF3NO3 1 731.54 +1061 10056 2M-2H+NH4 514892 697.1019909999999 697.1022469993933 912.889778787623 340.54135999999994 C20H29KO2 1 1117.49 +1062 11390 2M-2H+NH4 640453 856.593891 856.5899349926046 712.0396788285399 420.28731 C19H21IN2O 1 945.23 +1063 4825 2M-2H+NH4 628005 362.2895702 362.28930526450984 831.7097849543145 173.1351496 C8H6F3N 1 705.06 +1068 7184 2M-2H+NH4 121375 475.33963100000005 475.3387015287708 792.256241503042 229.66018000000003 C10H12ClNO3 1 712.11 1080 7252 2M-2H+NH4 542435 479.30155099999996 479.30028469645515 653.5446473059341 231.64113999999998 C10H6ClN5 1 726.44 1081 9262 2M-2H+NH4 536640 615.5193109999999 615.5182219008431 1102.756914576732 299.75001999999995 C14H18ClNO4 1 753.05 1082 4505 2M-2H+NH4 593418 347.258311 347.25795473817874 625.0539129892377 165.61952 C9H8ClN 1 685.23 +1083 4751 2M-2H+NH4 554090 359.18135100000006 359.18146937650243 228.36018443726635 171.58104000000003 C7H6ClNO2 1 644.39 1084 4752 2M-2H+NH4 554090 359.18135100000006 359.18268833468613 693.6714902726329 171.58104000000003 C7H6ClNO2 1 644.39 1085 10836 2M-2H+NH4 684145 789.1510310000001 789.1518055585669 924.039084666495 386.56588000000005 C22H42O5 0 1323.48 1088 6100 2M-2H+NH4 631327 423.1658038 423.1649930387299 499.6625712744165 203.5732664 C8H4ClF2NO 1 767.13 1089 4606 2M-2H+NH4 108390 352.319311 352.3206082935992 902.8721368076748 168.15002 C7H8N2O3 1 547.94 1090 9738 2M-2H+NH4 301273 660.8478373999999 660.8446569793269 700.7599439784349 322.41428319999994 C19H27FO3 0 731.68 +1093 6826 2M-2H+NH4 204874 456.31645019999996 456.31674908299004 650.1395791008738 220.14858959999998 C8H7F3N2O2 1 648.51 +1103 3930 2M-2H+NH4 40147 321.21787099999995 321.2171541597469 623.5785211798537 152.59929999999997 C4H5ClO2S 1 649 +1104 4954 2M-2H+NH4 105336 369.1713574 369.1697292843154 681.8555875498095 176.5760432 C6H6ClFN2O 0 745.82 +1105 10772 2M-2H+NH4 47514 781.1932710000002 781.189453145771 207.12516028435664 382.5870000000001 C18H30N4OS2 0 1035.29 +1106 3156 2M-2H+NH4 639588 289.17939099999995 289.17984845634686 639.8358250664055 136.58005999999997 C4H9ClN2O 1 75.67 +1107 8028 2M-2H+NH4 617576 524.179311 524.1770456947474 419.6103567653341 254.08002000000002 C10H8BrNO2 0 670.55 1108 7026 2M-2H+NH4 592359 467.21025019999996 467.2102744109435 480.56092819350033 225.59548959999998 C8H7ClF3NO 0 782.07 1109 7027 2M-2H+NH4 592359 467.21025019999996 467.2116260371038 418.08985712621455 225.59548959999998 C8H7ClF3NO 1 782.07 +1110 6111 2M-2H+NH4 257263 423.43731099999997 423.43846359913687 1067.70853950741 203.70901999999998 C10H18ClNO 1 784.19 1112 5776 2M-2H+NH4 36371 408.25999100000007 408.25797724281165 551.8033052775785 196.12036000000003 C6H4N4O4 1 580.55 +1113 5777 2M-2H+NH4 36371 408.25999100000007 408.25908433348457 550.5525596229909 196.12036000000003 C6H4N4O4 1 580.55 +1115 11368 2M-2H+NH4 277703 854.1051910000003 854.109202542101 936.68036738382375 419.04296000000016 C25H39ClN2O 1 926.07 +1117 9753 2M-2H+NH4 570079 662.412313 662.4112880963393 673.1086888276596 323.196521 C9H14N3O8P 0 195.8 +1118 11152 2M-2H+NH4 110891 828.7159909999999 828.714171374588 292.9194794837086 406.34835999999996 C20H14N4O6 0 797.94 1119 10302 2M-2H+NH4 111220 726.5399109999996 726.5418556403193 1093.6974840855758 355.2603199999998 C12H13N5O8 1 410.62 +1123 10053 2M-2H+NH4 400884 696.8449909999998 696.845459244472 1177.306792814246 340.4128599999999 C21H24O4 1 970.11 +1129 10770 2M-2H+NH4 316106 781.010631 781.0078328825268 240.95712315526822 382.49568 C30H22 1 1106.15 +1130 7061 2M-2H+NH4 634619 468.72935100000007 468.7290312474944 248.24666385658998 226.35504000000003 C14H26O2 1 974.9 +1134 8251 2M-2H+NH4 262187 538.2677974000001 538.2691016687921 677.995730978204 261.12426320000003 C6H4FN5O6 1 621.64 +1136 6246 2M-2H+NH4 252677 429.35247100000004 429.35049294671103 1004.2272972111124 206.66660000000002 C9H15ClO3 1 871.11 1144 6551 2M-2H+NH4 323495 444.223831 444.22382531952996 530.0904113656417 214.10228 C9H12BrN 1 670.35 +1145 5058 2M-2H+NH4 317683 373.3322710000001 373.3307591643264 981.98044917456 178.65650000000005 C8H15ClO2 1 956.34 +1146 8330 2M-2H+NH4 864457 544.1465310000001 544.1485855213383 926.0316437738248 264.06363000000005 C7H9IN2O 1 470.42 1147 7785 2M-2H+NH4 333692 510.19755100000003 510.1964170770801 351.88325715549206 247.08914000000001 C8H11BrN2O2 0 731.86 +1152 4654 2M-2H+NH4 670734 354.298511 354.29941062289674 774.6426204036159 169.13962 C9H3N3O 1 719.55 +1153 10463 2M-2H+NH4 255447 746.6055509999997 746.6050542413108 1138.6791682087032 365.2931399999998 C19H11NO7 1 701.36 1154 6605 2M-2H+NH4 428165 446.3264438 446.3243876141805 469.07504418251165 215.1535864 C9H7F2NO3 1 703.58 +1155 6606 2M-2H+NH4 428165 446.3264438 446.3256518626039 613.9955100231704 215.1535864 C9H7F2NO3 1 703.58 +1156 4267 2M-2H+NH4 476089 336.189703 336.1907931962661 457.08899106653485 160.085216 C5H5F5 1 575.76 +1157 9282 2M-2H+NH4 496013 616.81307100000015 616.81535074003 715.6321817112455 300.3969000000001 C21H20N2 1 1019.77 1158 12144 2M-2H+NH4 851629 972.8250309999997 972.8209234974602 772.6611023504172 478.40287999999987 C22H22O12 0 653.45 +1159 9187 2M-2H+NH4 586092 610.2860709999999 610.2838273086375 221.04455096160933 297.13339999999994 C14H10Cl2O3 0 1041.24 +1160 8266 2M-2H+NH4 355555 539.3403109999999 539.3415300293957 642.703387703357 261.66051999999996 C13H8ClNO3 1 872.24 +1163 11128 2M-2H+NH4 213303 825.3301110000002 825.3311305710008 1023.384563450476 404.6554200000001 C21H28N2S3 1 1200.14 1164 7655 2M-2H+NH4 398529 502.19113100000004 502.190304076802 476.24893159821403 243.08593000000002 C6H14INO 1 633.28 +1166 6926 2M-2H+NH4 255396 461.360951 461.3614417146743 988.8982072315392 222.67084 C11H11ClN2O 1 946.71 +1167 8589 2M-2H+NH4 510084 562.2831093999998 562.2853792518173 488.8554430457482 273.1319191999999 C9H5F6NO2 1 862.32 +1168 11492 2M-2H+NH4 476289 870.4185510000003 870.4171037743101 750.3064027039864 427.19964000000016 C20H36O2Sn 1 604.67 1169 11242 2M-2H+NH4 605602 839.4283109999999 839.4322856448782 430.0048891576 411.70451999999995 C26H53NO2 0 1021.41 1170 2388 2M-2H+NH4 386436 256.2635974 256.2635143558315 889.6089136752685 120.12216319999999 C5H9FO2 1 651.88 +1173 10897 2M-2H+NH4 513686 796.1584770000001 796.159235821816 976.7833689107099 390.06960300000003 C5H13O14P3 1 531.81 1174 4819 2M-2H+NH4 675299 362.2165974 362.21690559916584 468.6292866194345 173.0986632 C6H4FNO4 1 430.86 +1178 11706 3M-2H+NH4 301790 908.262951 908.2593744279372 1154.777317397892 297.41456 C18H19NOS 1 750.42 +1179 9796 3M-2H+NH4 723512 667.6070310000001 667.6051275035051 1035.951317406121 217.19592000000006 C9H13O6- 0 710.23 1180 12361 3M-2H+NH4 688314 1010.3168909999998 1010.31221356184 1112.3681763566453 331.43253999999996 C17H21N3O2S 1 990.47 +1181 12362 3M-2H+NH4 688314 1010.3168909999998 1010.3208767879792 1182.882599144223 331.43253999999996 C17H21N3O2S 1 990.47 1182 5340 3M-2H+NH4 372761 388.25573399999996 388.25399478902136 383.08044466322616 124.07882099999999 C2H9N2O2P 1 399.38 1183 7574 3M-2H+NH4 35515 496.356654 496.3565265467497 970.8790692779444 160.112461 C8H5N2P 1 726.48 +1184 12345 3M-2H+NH4 310078 1007.2136309999999 1007.2125486631641 1023.5253656249511 330.39811999999995 C18H18O4S 0 912.97 +1188 11911 3M-2H+NH4 112967 935.0945310000001 935.0953109348277 493.01267336953083 306.35842 C19H18N2O2 0 776.94 1190 9963 3M-2H+NH4 114035 687.184671 687.1819207664687 991.222386720578 223.7218 C11H10ClNS 0 634.84 +1191 9964 3M-2H+NH4 114035 687.184671 687.1843393223203 226.58101221100637 223.7218 C11H10ClNS 0 634.84 +1193 11180 3M-2H+NH4 322054 832.1469809999999 832.1437437887016 1009.3277008331936 272.04256999999996 C8H5IN2O 1 812.32 1194 8946 3M-2H+NH4 554242 587.7724110000001 587.7717321507471 297.61758255494954 190.58438000000004 C6H7ClN2O3 1 578.22 +1196 12446 3M-2H+NH4 129610 1025.222751 1025.2215745938188 1043.2031828955405 336.40116 C14H24O7S 0 802.02 +1198 11483 3M-2H+NH4 738018 869.262051 869.2603998490774 1034.0505972204073 284.41426 C15H24O3S 1 1160.87 1199 8577 3M-2H+NH4 473473 560.8714110000001 560.8692384142076 1242.624043263679 181.61738000000003 C6H12ClNO3 1 545.58 1200 8578 3M-2H+NH4 473473 560.8714110000001 560.8710150381512 1184.0027018345531 181.61738000000003 C6H12ClNO3 1 545.58 1201 8579 3M-2H+NH4 473473 560.8714110000001 560.8727963863087 1161.0751936345619 181.61738000000003 C6H12ClNO3 1 545.58 +1203 10950 3M-2H+NH4 123163 802.6837709999999 802.6863807270048 1215.5523668978249 262.22149999999993 C11H10N4O4 1 559.28 +1205 8973 3M-2H+NH4 43794 589.7035709999999 589.7059049329093 512.6210579721076 191.22809999999998 C5H5NO3S2 0 605.63 1207 10954 3M-2H+NH4 192150 803.6118509999999 803.6118381429942 233.67753015746285 262.53085999999996 C9H9BrClNO 0 838.3 +1208 11009 3M-2H+NH4 410826 808.502151 808.5038066541109 666.9023944889839 264.16096 C13H14BrN 1 945.01 +1209 12276 3M-2H+NH4 613384 996.4890510000001 996.4850764103998 666.9893064155127 326.82326000000006 C18H19ClN4 0 848.71 1211 11748 3M-2H+NH4 320488 912.3150509999999 912.3170360568369 658.77089689619 298.76525999999996 C14H19ClN2O3 0 589.15 +1213 11596 3M-2H+NH4 872009 887.4693510000002 887.4661164820701 587.1912433480275 290.48336000000006 C20H34O 0 1324.97 +1214 8013 3M-2H+NH4 616834 523.0704509999999 523.0692286670206 846.0540404982652 169.01706 C4H9BrO2 1 568.15 1215 12827 3M-2H+NH4 71171 1091.3149709999998 1091.3168832627541 1103.3569964567455 358.4319 C12H5Cl5O2 0 1103.68 +1216 10168 3M-2H+NH4 291468 712.9933709999998 712.99296397851 293.19709815494673 232.32469999999992 C13H20N4 0 660.54 1217 11965 3M-2H+NH4 499093 941.266491 941.2686394219675 1054.5401380577705 308.41573999999997 C15H16O3S2 1 665.42 1220 11965 3M-2H+NH4 346797 941.2660709999999 941.2686394219675 1054.5401380577705 308.4156 C24H20 1 1018.16 1221 9463 3M-2H+NH4 669589 631.5845406 631.5843177225373 1139.9737305278334 205.1884232 C10H8FN3O 1 651.86 @@ -220,175 +623,480 @@ 1223 11307 3M-2H+NH4 20637 847.6618740000002 847.6578302535943 374.2942535186028 277.21420100000006 C9H16N3O5P 1 758.24 1224 11877 3M-2H+NH4 533128 928.9130909999998 928.9138325442749 370.9449874779125 304.2979399999999 C15H16N2O5 0 643.14 1225 4226 3M-2H+NH4 445333 334.199994 334.2016543083775 568.1315142209469 106.060241 C3H7O2P 1 302.82 +1226 11352 3M-2H+NH4 223696 851.2678709999999 851.2691557393274 1062.0024240397158 278.41619999999995 C12H10N2S3 1 1167.81 +1227 12859 3M-2H+NH4 192207 1099.783311 1099.783606586836 1032.5263696848965 361.25468 C13H17BrN2O3S 1 711.5 +1229 11065 3M-2H+NH4 564528 816.1848510000001 816.1808928001624 900.1300475609034 266.72186000000005 C10H19ClN2O4 1 576.57 1231 10955 3M-2H+NH4 239451 804.1589910000001 804.1623847540218 972.5489377346478 262.71324000000004 C9H11ClN2O3S 0 630.98 1233 11763 3M-2H+NH4 702676 914.241171 914.2429252981435 1033.0265302805687 299.4073 C19H25NO2 0 1263.3 +1235 11825 3M-2H+NH4 647671 923.2529910000002 923.2525388235651 1123.414094825864 302.4112400000001 C18H26N2O2 1 796.88 +1236 9502 3M-2H+NH4 516912 634.871631 634.8740211933466 1215.6263374033056 206.28412 C12H18N2O 1 113.92 1239 10924 3M-2H+NH4 262187 799.3920606 799.3915833313786 721.0061357028629 261.12426320000003 C6H4FN5O6 0 621.64 1240 10925 3M-2H+NH4 262187 799.3920606 799.3946101071169 712.0834963795285 261.12426320000003 C6H4FN5O6 0 621.64 1241 9619 3M-2H+NH4 118950 646.4160293999998 646.4157139430927 718.5681207961399 210.13225279999995 C6H6F4N4 0 344.43 +1246 9874 3M-2H+NH4 309924 676.6831109999999 676.6798720389955 986.485040164264 220.22127999999998 C12H12O4 1 669.73 1247 10651 3M-2H+NH4 491162 766.8502709999999 766.8516345021358 356.7990524216116 250.277 C10H10N4O2S 0 534.84 1248 11790 3M-2H+NH4 489923 917.0665205999998 917.0649352101445 954.5545533783747 300.34908319999994 C13H17FN2O3S 1 937.03 1253 11312 3M-2H+NH4 139873 848.2345110000002 848.2343652599134 1081.1975769322 277.40508000000005 C16H27N3O 0 901.46 1254 9874 3M-2H+NH4 608852 676.6831110000002 676.6798720389955 986.485040164264 220.22128000000004 C12H12O4 1 709.04 +1255 4594 3M-2H+NH4 248747 352.14047099999993 352.1392014126534 549.3099751042041 112.04039999999998 C4O4-- 0 528.66 1259 12711 3M-2H+NH4 185384 1073.3097510000002 1073.304459996028 1050.123524034819 352.4301600000001 C20H24N4O2 1 667.06 1261 11700 3M-2H+NH4 586092 907.4194709999998 907.4151438816883 271.2670914907097 297.13339999999994 C14H10Cl2O3 0 1041.24 +1262 11307 3M-2H+NH4 288452 847.6590510000002 847.6578302535943 374.2942535186028 277.21326000000005 C11H14Cl2N2S 1 975.26 1263 11206 3M-2H+NH4 510084 835.4150285999998 835.4164373662711 735.7789000174622 273.1319191999999 C9H5F6NO2 0 862.32 +1266 9157 3M-2H+NH4 83656 607.309251 607.3083921064716 710.8495497465788 197.09665999999999 C4H9BrN2S 1 108.8 1267 8196 3M-2H+NH4 675299 535.3152606 535.3151634380504 426.4129849926544 173.0986632 C6H4FNO4 0 430.86 1268 11006 3M-2H+NH4 614276 808.2638010000002 808.2601567399482 1026.9159496063849 264.08151000000004 C7H6Cl2NaO3S+ 0 775.35 +1270 9567 3M-2H+NH4 178040 640.5864606000001 640.5868454664942 1027.984561651918 208.18906320000002 C10H9FN2O2 0 679.28 +1271 12694 3M-2H+NH4 609966 1070.529651 1070.525940220739 804.1330219696866 351.50346 C19H29NO3S 1 1097.47 1272 8577 3M-2H+NH4 377528 560.871411 560.8692384142076 1242.624043263679 181.61738 C6H12ClNO3 1 215.67 +1275 2672 M-2H+NH4 134506 269.09857100000005 269.0993929416157 872.6864713277607 253.07930000000005 C9H10Cl2O4 0 820.99 +1282 2038 M-2H+NH4 629397 240.073311 240.07242018963044 277.1001255041473 224.05404 C9H6BrNO 1 732.92 +1283 2111 M-2H+NH4 436149 243.16007100000002 243.1591313575853 482.186949051071 227.1408 C11H15Br 1 1052.78 +1284 4232 M-2H+NH4 287492 334.24921099999995 334.2495383564413 552.4520930858757 318.22993999999994 C12H16BrNO2S 1 968.43 1285 1782 M-2H+NH4 637020 227.07785099999998 227.0776350247205 273.7362091497707 211.05857999999998 C8H7BrN2 1 747.57 1286 4946 M-2H+NH4 241704 368.3798909999998 368.379696166276 1097.6195189140435 352.3606199999998 C20H18NO5+ 1 742.61 1287 2413 M-2H+NH4 350694 258.08068099999997 258.07939531161475 336.79032205623537 242.06141 C4H11IN4 1 108.61 +1289 3099 M-2H+NH4 100703 287.169571 287.168148891961 479.48926430472085 271.1503 C12H15BrO2 1 1066.69 +1293 5853 M-2H+NH4 366120 412.158751 412.15887787889005 491.45324327405194 396.13948 C16H12Br2S 1 1159.19 +1294 5854 M-2H+NH4 366120 412.158751 412.16000328697885 532.169448284647 396.13948 C16H12Br2S 1 1159.19 1295 2661 M-2H+NH4 622530 268.199591 268.19898236386393 584.0911771545843 252.18032 C10H8N2O6 1 44.76 +1296 1028 M-2H+NH4 108390 184.16929100000002 184.1696922583543 929.3809677286158 168.15002 C7H8N2O3 1 547.94 +1297 1981 M-2H+NH4 204874 236.16786059999998 236.16755266524 618.252232227923 220.14858959999998 C8H7F3N2O2 1 648.51 +1299 4544 M-2H+NH4 97481 349.24049099999996 349.24098076100734 432.9293063225497 333.22121999999996 C20H13Br 1 1098.8 1307 3940 M-2H+NH4 863538 322.1660310000001 322.1645698262011 483.93213554784643 306.1467600000001 C14H9Cl2N3O 1 793.77 1308 1801 M-2H+NH4 527963 228.06261099999998 228.06312252628425 434.8783130410122 212.04333999999997 C8H6BrNO 0 704.6 +1309 6309 M-2H+NH4 669000 432.2393310000001 432.23850484220327 734.652321984025 416.2200600000001 C19H39NOSn 1 596.9 +1313 975 M-2H+NH4 571542 181.171951 181.1718627653544 258.98859046402026 165.15268 C6H7N5O 0 297.37 +1314 3727 M-2H+NH4 386413 313.090972 313.0912533364706 331.16479105170134 297.071701 C10H11Cl2O4P 1 887.36 +1315 2207 M-2H+NH4 359010 248.129011 248.12789706503278 469.6966185757501 232.10974 C9H11Cl2N3 1 560.83 1316 5078 M-2H+NH4 861953 374.2751709999999 374.2769111662402 712.7366690359131 358.2558999999999 C17H10O9 1 647.21 1317 1632 M-2H+NH4 34743 219.04803099999998 219.04758851612797 1228.1454545007532 203.02875999999998 C6H4Cl2N4 1 692.61 +1318 3407 M-2H+NH4 274612 300.23969099999994 300.24048971521785 625.5338059981838 284.22041999999993 C15H8O6 1 784.78 1320 3911 M-2H+NH4 533128 320.31721099999993 320.3157055505727 925.6362957194972 304.2979399999999 C15H16N2O5 1 643.14 1321 3376 M-2H+NH4 46338 299.169151 299.16793556941633 437.21171413176575 283.14988 C14H12Cl2O2 1 901.39 +1322 4333 M-2H+NH4 570079 339.215792 339.2160422564227 673.6119984848003 323.196521 C9H14N3O8P 1 195.8 +1323 1495 M-2H+NH4 595620 211.1335838 211.13305852954187 503.2137960188852 195.1143128 C7H5F4NO 0 682.18 1324 5133 M-2H+NH4 192207 377.273951 377.2723786377847 497.29036056638284 361.25468 C13H17BrN2O3S 1 711.5 +1327 3701 M-2H+NH4 126374 311.3152909999999 311.31541598486683 1216.5235124577105 295.2960199999999 C15H13N5O2 1 553.15 +1335 2303 M-2H+NH4 580566 252.23337739999997 252.2322390411483 751.383912471611 236.21410639999996 C13H10F2O2 1 858.76 +1336 3231 M-2H+NH4 632368 292.330251 292.32919126992783 780.8736704094019 276.31098 C13H12N2O3S 1 654.51 1338 2757 M-2H+NH4 110001 272.158231 272.1571534679501 514.4507671593399 256.13896 C11H14BrNO 1 758.81 1340 1043 M-2H+NH4 126699 185.154051 185.1537111451596 598.8743031481318 169.13478 C7H7NO4 1 661.04 1341 4361 M-2H+NH4 855601 340.34661099999994 340.34794105499554 1033.569340210357 324.32733999999994 C19H16O5 1 764.12 1342 4890 M-2H+NH4 143900 365.34403199999997 365.34456222966116 917.9425069893448 349.32476099999997 C15H20N5O3P 1 862.01 1343 886 M-2H+NH4 7199 178.03587100000001 178.03580615949224 1063.8432101107603 162.0166 C6H5Cl2N 0 721.41 1345 2774 M-2H+NH4 579476 273.1070542 273.1080328467002 259.9072672212741 257.0877832 C12H7Cl2FO 1 973.33 +1348 750 M-2H+NH4 632831 169.15795099999997 169.1587659971543 671.6971276475559 153.13867999999997 C6H7N3O2 1 256.82 +1349 1768 M-2H+NH4 118950 226.15152379999995 226.15197206628855 483.17482440016175 210.13225279999995 C6H6F4N4 1 344.43 +1350 3562 M-2H+NH4 316958 306.16333099999997 306.1631319159316 661.884044821217 290.14405999999997 C15H9Cl2NO 1 1280.36 +1351 6264 M-2H+NH4 118697 430.26599659999977 430.2640282430617 540.0272461772838 414.24672559999976 C17H10F8O3 1 1262.75 +1354 2627 M-2H+NH4 564336 267.08723739999994 267.08620882308696 367.18525627960986 251.06796639999996 C9H9BrF2O 1 995.7 +1355 1272 M-2H+NH4 261532 199.075872 199.07537446584413 539.4199247508957 183.056601 C3H6NO6P-- 1 77.72 1356 1856 M-2H+NH4 323495 230.121551 230.1216128460912 376.5672437863527 214.10228 C9H12BrN 1 670.35 1357 1434 M-2H+NH4 620716 207.986851 207.9862234743712 1248.7398217103273 191.96758 C4H2BrNO3 0 615.43 1359 3391 M-2H+NH4 736576 300.12527099999994 300.1266821899818 426.1671881745299 284.10599999999994 C11H10BrNO3 1 823.38 1360 1787 M-2H+NH4 614240 227.12676199999999 227.12785878453982 482.91513053777976 211.10749099999998 C7H9NaO4P+ 1 93.17 +1361 3355 M-2H+NH4 728772 298.26533099999995 298.2647505425989 800.4342468308618 282.24605999999994 C13H14O7 1 729.78 +1362 1066 M-2H+NH4 207056 186.15705420000003 186.1570367652842 634.7990213988832 170.13778320000003 C8H7FO3 1 682.6 +1363 5495 M-2H+NH4 385846 394.281111 394.27940219020263 747.1605018416814 378.26184 C21H16BrNO 1 1031.83 +1364 1831 M-2H+NH4 365964 229.090431 229.08952455800596 459.90613537971933 213.07116 C9H9BrO 1 905.99 +1365 7745 M-2H+NH4 290512 507.7918310000002 507.7926896121476 1276.0751558055854 491.77256000000017 C28H49N3O2S 0 831.87 +1366 5161 M-2H+NH4 641807 379.21208059999987 379.21135086292503 454.54618460118326 363.19280959999986 C14H10BrF3OS 0 1295.91 +1368 3925 M-2H+NH4 135625 321.1812710000001 321.1806297028966 510.60977772717877 305.1620000000001 C14H10Cl2N4 1 983.14 +1370 5647 M-2H+NH4 307307 401.2704509999999 401.2722854754035 551.9897741234582 385.2511799999999 C20H17BrO3 1 1357.52 +1371 3736 M-2H+NH4 586092 313.15267099999994 313.15272098467096 480.74429165255543 297.13339999999994 C14H10Cl2O3 1 1041.24 1377 1863 M-2H+NH4 339761 230.174272 230.17510528410068 551.1436854518142 214.155001 C9H11O4P 0 740.58 +1378 1831 M-2H+NH4 590516 229.090431 229.08952455800596 459.90613537971933 213.07116 C9H9BrO 1 751.6 1379 4203 M-2H+NH4 20821 333.20697099999995 333.2062920797834 604.5359428272982 317.18769999999995 C13H10Cl2O3S 1 1049.84 +1380 3430 M-2H+NH4 621759 301.16357100000005 301.1639524681863 546.7036925819328 285.14430000000004 C9H10Cl2O4S 1 864.54 +1381 2441 M-2H+NH4 338760 259.116411 259.11734771930213 335.47278458501665 243.09714000000002 C10H11BrO2 1 813.82 +1382 3255 M-2H+NH4 302608 294.06312099999997 294.0641639652266 301.6158465237978 278.04384999999996 C8H7IO3 1 729.15 +1387 3418 2M-2H+Na 354598 301.07566599999996 301.07705510268636 218.2253049220194 140.05049999999997 C5O5 0 531.63 1388 5541 2M-2H+Na 517476 396.22826599999996 396.22911391627855 870.8976617488422 187.62679999999997 C7H10ClN3O 1 130.84 1389 5542 2M-2H+Na 517476 396.22826599999996 396.2291143443847 407.6521050080946 187.62679999999997 C7H10ClN3O 1 130.84 +1391 6390 2M-2H+Na 651724 436.22614599999997 436.22600867410165 590.5372442958106 207.62573999999998 C4H6CaClNO4 1 10.7 +1392 4805 2M-2H+Na 381567 361.265668 361.26619324620276 623.8906302625074 170.145501 C8H11O2P 1 652.04 +1393 10616 2M-2H+Na 212516 763.3875459999999 763.3840385045211 374.0395042149526 371.20644 C13H11BrN2O4S 1 835.03 +1394 10617 2M-2H+Na 212516 763.3875459999999 763.3897011905876 744.2877414752205 371.20644 C13H11BrN2O4S 1 835.03 +1395 8873 2M-2H+Na 55802 581.7891860000001 581.7905086662312 344.91715886375187 280.40726000000006 C19H24N2 1 664.13 +1398 7268 2M-2H+Na 121375 480.29502600000006 480.29454159788 627.2494524514655 229.66018000000003 C10H12ClNO3 1 712.11 1399 8684 2M-2H+Na 368424 568.3237059999998 568.323783848469 284.2379486063327 273.6745199999999 C13H8ClN3O2 1 858.72 1400 9494 2M-2H+Na 587007 634.3703459999998 634.3688080901558 610.8650904222836 306.69783999999993 C15H11ClO5 1 880.99 1401 4722 2M-2H+Na 251020 357.35422600000004 357.35526481310575 852.5808301539934 168.18978 C9H12O3 1 700.59 1402 3294 2M-2H+Na 116998 295.246626 295.24592733674143 767.2658032566966 137.13598 C7H7NO2 1 245.93 +1403 4115 2M-2H+Na 379931 329.214946 329.2150962154558 444.7541593512129 154.12014 C7H6O4 1 497.65 +1404 6182 2M-2H+Na 102025 427.17431880000004 427.176251564403 204.76137336716184 203.0998264 C7H3F2NO4 1 655.68 +1406 3439 2M-2H+Na 429082 301.247906 301.2480637651291 663.0606631425429 140.13662 C7H8O3 1 675.1 1407 7076 2M-2H+Na 666238 469.35170600000004 469.3519798509968 694.811375698998 224.18852 C6H8O7S 1 467.64 +1408 10488 2M-2H+Na 851783 749.5817459999997 749.5782290185638 1111.980803511352 364.3035399999999 C17H16O9 0 655.96 1409 8598 2M-2H+Na 100703 563.275266 563.2725254110046 272.0968743729526 271.1503 C12H15BrO2 0 1066.69 1412 8433 2M-2H+Na 363876 551.7632659999999 551.7656849791202 335.3310900685154 265.3943 C13H15NOS2 1 960.91 1413 4138 2M-2H+Na 107174 330.21162599999997 330.21002237815026 476.3122783989668 154.61847999999998 C3H7ClN2OS 1 517.34 1414 7345 2M-2H+Na 542435 484.25694599999997 484.2554431713386 699.7311041584051 231.64113999999998 C10H6ClN5 1 726.44 1415 5251 2M-2H+Na 473473 384.20942600000006 384.2088091817226 733.9619518238437 181.61738000000003 C6H12ClNO3 1 545.58 +1416 5840 2M-2H+Na 120162 411.23926600000004 411.23745269619394 672.4749435241918 195.13230000000001 C7H5N3O4 1 642.33 1417 10882 2M-2H+Na 684145 794.106426 794.1042846655777 934.1979699296567 386.56588000000005 C22H42O5 1 1323.48 1418 11338 2M-2H+Na 324515 850.5208643999997 850.5197456440635 853.2570135745752 414.7730991999999 C17H17ClF6N2O 0 789.82 +1419 11339 2M-2H+Na 324515 850.5208643999997 850.523080994077 842.2802000161655 414.7730991999999 C17H17ClF6N2O 0 789.82 1420 7014 2M-2H+Na 254702 466.316346 466.31580601906717 651.593258983884 222.67084 C11H11ClN2O 1 729.96 1421 1182 2M-2H+Na 435010 193.15974599999998 193.1589050621185 488.20875239169135 86.09254 C3H6N2O 1 253.93 +1422 7448 2M-2H+Na 253829 490.4238659999999 490.42411439467764 1043.2240628026761 234.72459999999995 C13H15ClN2 1 611.28 +1427 8133 2M-2H+Na 702569 531.475586 531.4767331867404 1166.624009554636 255.25046 C9H9N3O4S 0 676.05 +1428 9428 2M-2H+Na 64184 629.7881080000001 629.7883584746646 1242.1305039170406 304.40672100000006 C19H29OP 1 1018.66 +1429 7719 2M-2H+Na 11024 506.19987879999985 506.20104339806636 470.99704691201123 242.61260639999992 C9H5ClF2N4 1 817.62 +1431 11669 2M-2H+Na 540960 900.1082680000002 900.1125039832366 795.5153876108172 439.5668010000001 C21H46NO6P 1 882.09 +1434 7964 2M-2H+Na 509382 520.274306 520.2743958040572 562.5649568483498 249.64982 C12H8ClNO3 0 806.91 1438 7795 2M-2H+Na 29382 510.327386 510.3263436163278 769.8518059630995 244.67636 C13H9ClN2O 1 944.67 1439 5857 2M-2H+Na 409811 412.1795460000001 412.1802102435305 255.06867680124816 195.60244000000003 C9H6ClNO2 0 748.76 +1440 7901 2M-2H+Na 211346 516.4147859999998 516.4151699839492 1104.193444300382 247.72005999999993 C14H14ClNO 1 774.92 +1442 7018 2M-2H+Na 504491 467.113226 467.1113636623433 264.20801906076304 223.06928 C9H7BrN2 0 667.17 +1443 6579 2M-2H+Na 340808 445.31704519999994 445.3151162867664 676.5472981849581 212.17118959999996 C10H7F3N2 1 686.63 +1444 6757 2M-2H+Na 728317 453.32125160000004 453.320487483209 680.6662351559837 216.1732928 C8H12F4O2 1 774.47 +1445 6758 2M-2H+Na 728317 453.32125160000004 453.32177732189314 738.7124902328219 216.1732928 C8H12F4O2 1 774.47 +1452 9713 2M-2H+Na 124314 658.0477060000003 658.0495726786941 913.9517045432067 318.53652000000017 C22H38O 0 518.32 +1453 7502 2M-2H+Na 508498 493.30230800000004 493.3004756305643 736.2587605661784 236.163821 C10H9N2O3P 0 476.37 +1454 5064 2M-2H+Na 105336 374.1267524 374.1264889267007 342.34947937500596 176.5760432 C6H6ClFN2O 0 745.82 +1455 4503 2M-2H+Na 123964 347.241666 347.24290261670967 623.745212662583 163.1335 C7H5N3O2 1 556.91 +1456 3259 2M-2H+Na 639588 294.13478599999996 294.13375027679336 549.4029866709615 136.58005999999997 C4H9ClN2O 1 75.67 1457 8747 2M-2H+Na 584912 572.3488659999999 572.3502994878295 727.3342193317062 275.6871 C14H10ClNO3 1 847.38 +1461 7660 2M-2H+Na 615700 502.25418600000006 502.25372625088266 636.357923878179 240.63976000000002 C11H9ClO4 1 879.89 +1463 9426 2M-2H+Na 477891 629.6531459999999 629.6526445481538 274.23734027949206 304.33923999999996 C20H16O3 1 1005.74 +1465 10617 2M-2H+Na 183176 763.3875459999999 763.3897011905876 744.2877414752205 371.20644 C13H11BrN2O4S 1 823.16 1469 5839 2M-2H+Na 595620 411.2032916 411.20164748914317 582.8014414411606 195.1143128 C7H5F4NO 1 682.18 1470 10407 2M-2H+Na 662629 738.1391460000001 738.1365328831504 943.286857039457 358.58224000000007 C18H26N2O2Si2 1 1048.94 1471 8492 2M-2H+Na 720010 555.366988 555.3649364148686 1104.3785934998846 267.196161 C7H10NO6PS 0 264.69 +1472 4925 2M-2H+Na 513488 367.28110599999997 367.2811999617223 938.3824146020279 173.15321999999998 C3H3N5O2S 1 601.37 +1476 8570 2M-2H+Na 233104 560.343226 560.3420056331436 705.9541370938173 269.68428 C11H12ClN3O3 1 519.2 +1477 6267 2M-2H+Na 88652 430.28270599999996 430.28079490310915 589.1679927711647 204.65401999999997 C8H13ClN2O2 1 124.55 +1478 4280 2M-2H+Na 8912 336.966586 336.9676557727644 1231.863599914749 157.99596 C5H4BrN 1 446.96 1481 8363 2M-2H+Na 239451 546.401146 546.3988145135967 864.6343056156876 262.71324000000004 C9H11ClN2O3S 1 630.98 1486 11084 2M-2H+Na 96311 818.9187460000004 818.9193577250606 412.55351805534065 398.9720400000002 C23H31ClN4 1 652.22 1487 4132 2M-2H+Na 553985 330.161826 330.16284417365324 526.1751399310202 154.59358 C8H7ClO 1 797.43 1490 6623 2M-2H+Na 167929 447.2502452 447.25076484484725 934.6063685486315 213.1377896 C4H2F3N3O2S 1 603.17 1491 6624 2M-2H+Na 167929 447.2502452 447.25203333781326 831.0646491938321 213.1377896 C4H2F3N3O2S 1 603.17 +1493 11374 2M-2H+Na 261193 854.6808259999997 854.6789109590445 1186.2785517592342 416.85307999999986 C25H17ClO4 1 1220.38 +1495 5980 2M-2H+Na 35795 417.32006600000005 417.31911764640176 680.0687601155976 198.17270000000002 C9H10O5 0 678.14 +1496 10953 2M-2H+Na 331788 803.5597459999999 803.5568184072182 981.5536019763158 391.29254 C23H16Cl2N2 1 1009.34 1497 4070 2M-2H+Na 632831 327.25202599999994 327.2530348147546 733.6082556443973 153.13867999999997 C6H7N3O2 1 256.82 1498 6357 2M-2H+Na 252677 434.30786600000005 434.306752436965 1005.8669894256429 206.66660000000002 C9H15ClO3 1 871.11 1499 5164 2M-2H+Na 558536 379.24706599999996 379.24717487816883 627.7610487620184 179.13619999999997 C6H5N5O2 1 270.14 +1500 8758 2M-2H+Na 612164 572.8261059999999 572.8264983777258 1255.2443120086186 275.92571999999996 C4H8CuN2S4++ 1 803.18 +1501 10799 2M-2H+Na 65118 785.1634755999995 785.1599129690485 956.6278448855195 382.0944047999998 C8H4F14O 0 866.44 +1505 5339 2M-2H+Na 54394 388.244266 388.2437249524238 733.9569844497234 183.63479999999998 C9H10ClNO 1 590.1 +1506 10435 2M-2H+Na 497634 741.5238660000001 741.5227591217902 1086.9707965108732 360.2746000000001 C22H20N2Ti-- 1 941.55 1507 10436 2M-2H+Na 497634 741.5238660000001 741.5254568053574 1081.7490556631778 360.2746000000001 C22H20N2Ti-- 1 941.55 +1508 10086 2M-2H+Na 121754 701.6281459999994 701.6291318716876 1237.0327207198309 340.32673999999975 C19H16O6 1 818.25 +1510 6527 2M-2H+Na 614240 443.189648 443.19037099799743 550.4022213460613 211.10749099999998 C7H9NaO4P+ 1 93.17 1511 6528 2M-2H+Na 614240 443.189648 443.1916225369174 496.6719371005444 211.10749099999998 C7H9NaO4P+ 1 93.17 +1512 9969 2M-2H+Na 229746 687.6536660000002 687.6511133667292 235.84161788223204 333.3395000000001 C17H30Cl2N2 1 677.44 +1517 9651 2M-2H+Na 270997 649.5535859999997 649.5565830335146 1146.722877018446 314.28945999999985 C17H14O6 0 836.14 +1518 7671 2M-2H+Na 588670 503.3036852000001 503.30399778217713 534.8269415325743 241.16450960000003 C8H10F3NO4 1 604.55 +1522 6612 2M-2H+Na 365964 447.116986 447.11625831271954 907.0598267789377 213.07116 C9H9BrO 1 905.99 +1523 10405 2M-2H+Na 488897 737.7269080000002 737.7249812359148 1250.9797958204053 358.3761210000001 C21H19N4P 1 1131.22 +1525 4968 2M-2H+Na 265791 369.283866 369.2827837813261 722.2612797056358 174.1546 C6H10N2O4 1 123.26 1526 8291 2M-2H+Na 289581 541.246228 541.2458590924729 562.312396552413 260.135781 C6H13O9P 1 243.93 1527 8292 2M-2H+Na 289581 541.246228 541.2475531577095 267.9673064185125 260.135781 C6H13O9P 1 243.93 1528 9539 2M-2H+Na 586604 638.3524723999998 638.351798882595 660.8023137155477 308.6889031999999 C15H10ClFO4 1 916.73 1529 9540 2M-2H+Na 586604 638.3524723999998 638.3539587171015 664.3045612919415 308.6889031999999 C15H10ClFO4 1 916.73 1530 9446 2M-2H+Na 20972 630.510826 630.512191222512 1031.6097598411907 304.76808 C17H17ClO3 0 1177.98 1531 3654 2M-2H+Na 356250 309.278186 309.27831933211405 885.0873276176069 144.15176 C4H4N2O2S 1 165.01 +1532 4115 2M-2H+Na 426056 329.214946 329.2150962154558 444.7541593512129 154.12014 C7H6O4 1 612.15 +1533 10348 2M-2H+Na 868693 731.6675459999998 731.6669697447819 226.91425106210363 355.3464399999999 C14H21N5O6 1 594.64 +1534 9790 2M-2H+Na 83819 666.4618659999999 666.4631105293297 1081.3523002417262 322.74359999999996 C15H15ClN2O4 0 703.54 +1535 6002 2M-2H+Na 360334 418.3234235599999 418.3219122457655 729.5326509529618 198.67437877999996 C4ClD10O2PS 1 887.58 +1538 4966 2M-2H+Na 389173 369.27726600000005 369.2758791408471 524.9638404321765 174.15130000000002 C7H10O5 1 652.7 +1539 6612 2M-2H+Na 590516 447.116986 447.11625831271954 907.0598267789377 213.07116 C9H9BrO 1 751.6 +1540 9096 2M-2H+Na 734371 601.7757459999998 601.7755923983946 191.45640282733487 290.4005399999999 C17H26N2O2 1 585.67 1542 6492 2M-2H+Na 243884 441.2756052000001 441.2735307272605 473.1723328129466 210.15046960000004 C8H9F3O3 1 693.38 +1544 2493 2M-2H+Na 106412 261.2255924 261.22553315635423 596.2810640499068 120.1254632 C4H9FN2O 1 456.94 +1548 8873 2M-2H+Na 178260 581.7891860000003 581.7905086662312 344.91715886375187 280.4072600000002 C19H24N2 1 493.7 +1549 7938 2M-2H+Na 495127 518.34138600000006 518.3401883259562 967.3466483945429 248.68336000000005 C9H9ClO4S 1 778.75 1552 9585 2M-2H+Na 363033 642.5662659999998 642.5647808415665 1098.6367723574824 310.79579999999993 C15H15ClO3S 1 869.46 +1558 5462 3M-2H+Na 372761 393.21112899999997 393.2121601984224 559.4186983718693 124.07882099999999 C2H9N2O2P 1 399.38 +1559 11290 3M-2H+Na 727324 844.126252 844.1220927066679 959.6562054039543 274.383862 C3H6Cl3O4P2+ 1 739.33 +1560 7646 3M-2H+Na 35515 501.312049 501.31404267725475 499.33583771206224 160.112461 C8H5N2P 1 726.48 1561 12375 3M-2H+Na 310078 1012.1690259999998 1012.1677495545778 375.28167814360893 330.39811999999995 C18H18O4S 0 912.97 1562 10270 3M-2H+Na 303814 723.8573259999998 723.8583211233871 362.2978466733762 234.29421999999997 C13H18N2O2 1 514.87 1563 8848 3M-2H+Na 417333 579.599746 579.601029934965 236.6079338191214 186.20836 C8H14N2O3 1 112.83 1565 11890 3M-2H+Na 132541 932.1954459999998 932.1935447847699 1000.6525448813095 303.74026 C16H14ClNO3 0 825.42 +1566 4830 3M-2H+Na 494414 363.0994444 363.0987133396903 1140.1224328732337 114.04159279999999 C3H2F4 0 750.59 1567 2897 3M-2H+Na 671896 279.12310599999995 279.12266489848093 496.10195981893037 86.04947999999999 C2H2N2O2 1 320.23 +1568 4650 3M-2H+Na 620894 354.2707659999999 354.2695468930804 882.7120289019557 111.09869999999998 C5H5NO2 1 243.7 1569 11090 3M-2H+Na 244106 820.1167060000001 820.1188134602394 931.7748422740805 266.38068000000004 C18H22N2 1 613.01 +1570 8397 3M-2H+Na 408451 549.7490859999999 549.7476640202788 230.05048151999966 176.25813999999997 C11H16N2 1 395.98 +1571 2909 3M-2H+Na 435010 279.252286 279.2511343429997 792.0386175369813 86.09254 C3H6N2O 1 253.93 1572 11902 3M-2H+Na 108702 934.0372659999999 934.0333401222146 396.4039823735094 304.3542 C12H20N10 0 53.29 1573 12570 3M-2H+Na 137437 1048.2655060000002 1048.2667910730333 1060.5591886094692 342.43028000000004 C24H22O2 0 1133.06 1579 11091 3M-2H+Na 669888 820.3704460000005 820.3741467590789 266.89261092905593 266.46526000000017 C17H34N2 0 674.99 +1580 11681 3M-2H+Na 144464 903.0947859999999 903.0914096215283 951.6554331311403 294.04004 C14H6FeO4---------- 0 867.93 +1582 12339 3M-2H+Na 496197 1006.2106059999998 1006.2136625181712 1021.6497143656948 328.4119799999999 C15H12N4OS2 1 741.2 +1583 11617 3M-2H+Na 872009 892.4247460000001 892.4216603808007 369.89858419718684 290.48336000000006 C20H34O 0 1324.97 +1589 10160 3M-2H+Na 296241 712.2320859999999 712.2322462172572 1013.9278662100518 230.41913999999997 C12H26O2Si 0 1162.5 +1590 10161 3M-2H+Na 296241 712.2320859999999 712.2348073157552 1017.3873050983593 230.41913999999997 C12H26O2Si 0 1162.5 +1595 10330 3M-2H+Na 682039 729.845206 729.8432170134165 419.34173586901267 236.29018 C11H12N2O2S 1 746.26 +1596 10331 3M-2H+Na 682039 729.845206 729.8458615055573 360.5007968636321 236.29018 C11H12N2O2S 1 746.26 +1597 12707 3M-2H+Na 85145 1072.207606 1072.2058881023881 965.14709263838 350.41098 C21H22N2O3 1 759.55 +1598 11861 3M-2H+Na 698618 926.2822659999996 926.2866188951864 1085.9537452938025 301.7691999999999 C13H20ClN3O3 0 822.4 +1599 9354 3M-2H+Na 109088 622.960726 622.9621523973397 384.3762181385438 200.66202 C10H13ClO2 0 778.34 1600 11279 3M-2H+Na 244883 843.0468747999998 843.0469642399139 930.773814158607 274.02406959999996 C8H4Cl2F3NO2 1 949.32 +1602 8770 3M-2H+Na 702326 573.3836548 573.3824933530212 770.2562162400314 184.1363296 C5H3F3O2S 0 833.91 +1605 8548 3M-2H+Na 75610 558.7510060000001 558.7525191860609 227.42257123818777 179.25878000000003 C11H17NO 1 731.27 +1608 10159 3M-2H+Na 429613 712.1350660000002 712.1378859752285 934.8866263997537 230.38680000000008 C14H30O2 0 906.77 +1615 7272 3M-2H+Na 632831 480.3907059999999 480.38918917882137 906.248808481888 153.13867999999997 C6H7N3O2 1 256.82 +1616 9667 3M-2H+Na 118950 651.3714243999998 651.3708995892557 753.0679781993979 210.13225279999995 C6H6F4N4 1 344.43 +1617 9668 3M-2H+Na 118950 651.3714243999998 651.3731278259327 753.8514558698864 210.13225279999995 C6H6F4N4 0 344.43 1621 11132 3M-2H+Na 479830 826.0799956 826.07615526934 934.4668659707777 268.3684432 C19H21F 1 1337.18 1622 11133 3M-2H+Na 479830 826.0799956 826.079335088011 810.760167244287 268.3684432 C19H21F 1 1337.18 1623 12219 3M-2H+Na 586962 986.1668355999998 986.16508753586 988.3185301313708 321.73072319999994 C16H13ClFNO3 1 903.99 +1628 12822 3M-2H+Na 248087 1090.2213460000003 1090.2243603618706 397.1707622274356 356.41556 C20H24N2O4 1 726.98 +1629 7636 3M-2H+Na 476089 501.230314 501.2297053882693 561.694254272318 160.085216 C5H5F5 1 575.76 1632 11812 3M-2H+Na 496013 922.1653660000002 922.1693355508589 960.3282577703094 300.3969000000001 C21H20N2 0 1019.77 +1635 9489 3M-2H+Na 385240 633.838906 633.8416930658517 1215.9088193534576 204.28808 C12H12OS 1 1057.34 +1637 11809 3M-2H+Na 301793 921.7633059999997 921.7636188739463 484.11069935003445 300.26287999999994 C16H12O6 1 813.01 +1638 8911 3M-2H+Na 241495 585.3594052 585.3583447545834 1028.90792477976 188.12824640000002 C8H6F2O3 1 724.02 +1643 10194 3M-2H+Na 27040 716.1320260000001 716.1302881881941 911.3806950976098 231.71912000000003 C11H18ClNO2 1 579.29 +1644 11376 3M-2H+Na 302608 855.1062159999998 855.1048943460887 930.5351571842419 278.04384999999996 C8H7IO3 0 729.15 +1646 10942 3M-2H+Na 635545 801.7411947999998 801.7381487339155 780.2526310329146 260.2555095999999 C12H15F3N2O 0 572.05 1647 7548 3M-2H+Na 363629 495.81790599999994 495.81682239232504 463.97961550951663 158.28107999999997 C10H22O 0 832.98 +1648 11884 3M-2H+Na 61084 930.4580259999999 930.4620104749906 776.2422989149399 303.16112 C12H8Cl2O3S 1 1016.77 +1651 4252 M-2H+Na 565033 335.19276599999995 335.19135274331484 294.94085527127 314.21809999999994 C14H20BrNO2 1 846.59 +1659 6491 M-2H+Na 640453 441.261976 441.2598496041179 618.707080821787 420.28731 C19H21IN2O 1 945.23 +1660 2282 M-2H+Na 635904 251.175906 251.1754108430258 383.57216546955203 230.20124 C6H6N4O4S 1 653.47 +1661 5440 M-2H+Na 212516 392.181106 392.18147997447676 375.6241767900123 371.20644 C13H11BrN2O4S 1 835.03 +1662 604 M-2H+Na 590394 161.07152599999995 161.07141654665097 509.6558527321663 140.09685999999996 C5H4N2O3 1 534.63 +1664 5541 M-2H+Na 96094 396.2294859999999 396.22911391627855 870.8976617488422 375.2548199999999 C16H23BrO5 1 1042.64 +1666 5543 M-2H+Na 96094 396.2294859999999 396.2312306729651 889.4464563930132 375.2548199999999 C16H23BrO5 1 1042.64 +1671 1117 M-2H+Na 251020 189.164446 189.16381861799405 608.0257615203632 168.18978 C9H12O3 1 700.59 1672 2928 M-2H+Na 555479 280.2254123999999 280.2245155112593 832.0738968431896 259.2507463999999 C15H11F2NO 1 993.06 +1674 1381 M-2H+Na 54002 204.182386 204.18294195963534 687.7312884734715 183.20772000000002 C8H13N3O2 1 571.51 1675 8825 M-2H+Na 615242 578.3189459999998 578.3167786831185 553.3296087218121 557.3442799999998 C30H42NiO6 1 975.47 1676 8826 M-2H+Na 615242 578.3189459999998 578.3186458489621 637.3093800236395 557.3442799999998 C30H42NiO6 1 975.47 +1678 4204 M-2H+Na 269339 333.20848599999994 333.2098022314991 385.7127882780454 312.2338199999999 C15H8N2O6 1 696.63 1679 5280 M-2H+Na 851783 385.2782059999999 385.2776993056731 653.2613596207038 364.3035399999999 C17H16O9 1 655.96 1680 7008 M-2H+Na 659900 466.20446599999997 466.2038047075266 288.6997081833232 445.22979999999995 C10H20BrCl3Sn 1 819.34 +1683 1472 M-2H+Na 203625 210.08439879999997 210.08445635332913 509.68965608587513 189.1097328 C8H3F4N 1 828.35 +1686 2325 M-2H+Na 285656 253.251466 253.25267033088795 838.6537233320302 232.2768 C10H20N2O4 1 597.04 1687 4326 M-2H+Na 519709 339.1384583999999 339.1371594909752 405.3496230924502 318.16379239999986 C10H10F7NaO2 1 781.72 1688 2996 M-2H+Na 123163 283.19616599999995 283.1955345998142 199.26377829871123 262.22149999999993 C11H10N4O4 1 559.28 +1694 656 M-2H+Na 407523 164.115226 164.1154860036418 492.12733092802137 143.14056 C6H9NO3 1 128.72 +1695 1209 M-2H+Na 666765 195.17386599999998 195.174492591801 512.2132234868059 174.1992 C10H10N2O 1 616.16 +1696 2681 M-2H+Na 569582 269.1564956 269.15656400660936 425.85610521994874 248.18182960000001 C8H3F3N2O2S 1 770.03 +1698 1803 M-2H+Na 298413 228.07486199999994 228.07490814936523 230.31266990132247 207.10019599999995 C8H2F5N 1 887.22 1699 3635 M-2H+Na 196682 309.11792519999995 309.1180530153914 259.6220097673992 288.14325919999993 C10H6F6O3 1 844.76 1700 5432 M-2H+Na 716639 392.1110460000001 392.1095751308586 830.3838242716686 371.1363800000001 C17H32OSn 1 576.09 1701 3026 M-2H+Na 270702 284.26528599999995 284.266229205713 866.4615024801656 263.29061999999993 C17H13NO2 1 1168.64 +1702 3694 M-2H+Na 583161 311.2212091999999 311.2215472286491 611.7933888433852 290.2465431999999 C14H11FN2O4 1 648.6 +1703 1084 M-2H+Na 849101 187.14856600000002 187.1482625461296 638.5485184039006 166.1739 C9H10O3 1 680.8 +1704 4036 M-2H+Na 673726 326.19472599999995 326.1962958756344 486.54954519313054 305.22005999999993 C13H14Cl2O2S 1 1153.15 1705 4057 M-2H+Na 863538 327.1214260000001 327.1219979944616 355.9419015832957 306.1467600000001 C14H9Cl2N3O 1 793.77 +1709 2503 M-2H+Na 660217 262.129386 262.1287405953489 357.1628079885329 241.15472 C10H18Cl2O2 1 1139.89 +1713 668 M-2H+Na 31252 165.10328599999997 165.10263741952093 218.07543239086817 144.12861999999998 C5H8N2O3 1 608.9 1714 1998 M-2H+Na 728317 237.14795880000003 237.14869835843598 572.2663090709849 216.1732928 C8H12F4O2 1 774.47 +1715 1949 M-2H+Na 528445 234.20660600000002 234.2062108447137 1194.5601204518919 213.23194 C13H11NO2 1 712.1 +1716 2537 M-2H+Na 504959 263.201466 263.20058405351074 664.4684595021045 242.22679999999997 C14H10O4 1 772.22 +1719 1296 M-2H+Na 190109 200.14732600000002 200.14735944667535 305.1209411152733 179.17266000000004 C9H9NO3 1 666.32 +1720 1011 M-2H+Na 196340 183.1383492 183.13815180575583 515.1358965269345 162.16368319999998 C9H7FN2 1 572.85 1722 3017 M-2H+Na 46438 284.16052700000006 284.1602999994579 319.92549500540207 263.18586100000005 C12H10NO4P 1 711.44 1724 2930 M-2H+Na 602761 280.25358600000004 280.2541808231854 774.5601203476713 259.27892 C10H13NO5S 1 701.35 1725 10834 M-2H+Na 548846 788.8611660000003 788.8603502331005 301.6754667482057 767.8865000000003 C32H35N2O12S4--- 1 768.23 +1726 2401 M-2H+Na 508498 257.138487 257.1383867651874 501.22748205507423 236.163821 C10H9N2O3P 1 476.37 +1727 4235 M-2H+Na 718231 334.30910599999993 334.3101058968509 951.656776964783 313.3344399999999 C14H11N5O2S 1 657.63 1731 3467 M-2H+Na 291606 302.29046600000004 302.29069036535 568.5990771262291 281.3158 C14H15N7 1 584.34 +1739 5162 M-2H+Na 861953 379.2305659999999 379.2320594414317 510.48218558760414 358.2558999999999 C17H10O9 1 647.21 1742 2740 M-2H+Na 185823 271.1905355999999 271.1903058650231 577.7546485876678 250.21586959999993 C14H9F3O 1 953.98 1743 3747 M-2H+Na 135364 313.32810599999993 313.32928069168133 982.9905934449182 292.3534399999999 C14H16N2O3S 1 809.16 1744 5440 M-2H+Na 183176 392.181106 392.18147997447676 375.6241767900123 371.20644 C13H11BrN2O4S 1 823.16 1745 1750 M-2H+Na 615851 225.196546 225.19619238008187 1019.2596478886063 204.22188 C12H12O3 1 768.12 1746 2561 M-2H+Na 505512 264.231046 264.2300199535537 878.0918269800861 243.25638 C11H17NO5 1 634.05 +1747 3539 M-2H+Na 274612 305.19508599999995 305.1956749248693 542.6601605718326 284.22041999999993 C15H8O6 1 784.78 +1755 2618 M-2H+Na 409741 266.24846599999995 266.247710830689 749.341808832427 245.27379999999997 C14H15NO3 1 683.11 1758 5023 M-2H+Na 191329 372.2096259999999 372.21020368136544 484.58834622071896 351.2349599999999 C17H19BrO3 1 1084.79 +1759 2664 M-2H+Na 418018 268.264346 268.2632979752226 854.6279782018773 247.28967999999998 C14H17NO3 1 685.73 +1760 3167 M-2H+Na 588237 290.069326 290.0693240372989 312.2017144928342 269.09466 C10H9BrN2O2 1 796.19 +1761 3607 M-2H+Na 490257 308.12436599999995 308.1243754406652 202.9883732216296 287.14969999999994 C12H15BrO3 1 918.77 +1762 3608 M-2H+Na 490257 308.12436599999995 308.1256830726395 231.77887308745034 287.14969999999994 C12H15BrO3 1 918.77 +1763 3609 M-2H+Na 490257 308.12436599999995 308.1256838364027 794.9261856586581 287.14969999999994 C12H15BrO3 1 918.77 1766 2183 M-2H+Na 42856 247.074902 247.07442609100625 264.7594459049061 226.100236 C8H3F5O2 1 958.44 +1767 2846 M-2H+Na 45400 276.16882599999997 276.16782515397495 989.6646444656474 255.19415999999998 C6H9N9O3 1 156.48 +1768 3333 M-2H+Na 57616 297.2209859999999 297.2214901481914 601.4572099329905 276.2463199999999 C16H8N2O3 1 917.75 +1769 2406 M-2H+Na 580566 257.18877239999995 257.1898519402568 774.8234001047581 236.21410639999996 C13H10F2O2 1 858.76 +1772 6057 M-2H+Na 321399 421.219095 421.2186484010858 767.4438154257348 400.24442899999997 C15H21IN2O3 1 651.78 +1773 3954 M-2H+Na 182415 322.295106 322.29496931169115 857.5446474065151 301.32043999999996 C14H11N3O3S 1 805.5 +1775 269 M-2H+Na 7781 137.132946 137.1326324611217 555.4873149832712 116.15827999999999 C6H12O2 1 721.88 +1777 3008 M-2H+Na 314255 284.107806 284.10695713861753 272.9023806197033 263.13313999999997 C12H11BrN2 1 733.5 +1778 2906 M-2H+Na 10767 279.20592600000003 279.20678437650525 292.5083372518553 258.23126 C9H14N4O5 1 62.62 +1779 6071 M-2H+Na 76892 421.3533923999999 421.3518939631251 898.5128437765886 400.3787263999999 C20H18F2N4O3 1 673.81 +1780 3294 M-2H+Na 728122 295.24662599999994 295.24592733674143 767.2658032566966 274.2719599999999 C14H14N2O4 1 806.53 +1782 9426 M-2H+Na 425594 629.6549060000001 629.6526445481538 274.23734027949206 608.6802400000001 C36H36N2O7 1 700.37 1784 2721 M-2H+Na 724475 270.242006 270.24288393635123 751.3335704081153 249.26734 C15H11N3O 1 797.52 1785 2537 M-2H+Na 377749 263.201466 263.20058405351074 664.4684595021045 242.22679999999997 C14H10O4 1 802.73 1786 2538 M-2H+Na 377749 263.201466 263.2010613537157 1254.0196708543385 242.22679999999997 C14H10O4 1 802.73 1789 831 M-2H+Na 632831 174.11334599999998 174.1126394403609 364.44252311007034 153.13867999999997 C6H7N3O2 1 256.82 1791 1260 M-2H+Na 542454 198.14968919999995 198.14918145856552 380.60330383859895 177.17502319999997 C10H8FNO 1 382.89 +1792 2469 M-2H+Na 176626 260.204126 260.2046220052501 301.7628093874563 239.22945999999996 C13H9N3O2 1 590.07 1794 4274 M-2H+Na 201607 336.25218599999994 336.25263062621815 706.3466433355037 315.2775199999999 C16H13NO6 1 766.24 +1795 6371 M-2H+Na 118697 435.2213915999998 435.221539041719 555.392338305887 414.24672559999976 C17H10F8O3 1 1262.75 +1798 1822 M-2H+Na 67901 228.20378600000004 228.2040105390728 843.9622344240522 207.22912000000002 C10H13N3O2 1 676.68 +1799 5475 M-2H+Na 225490 393.3071460000001 393.30843644254605 824.2725914783691 372.3324800000001 C18H27Cl2N3O 1 598.02 1800 3277 M-2H+Na 636794 295.08584599999995 295.0860127367197 270.2602380523345 274.11117999999993 C10H12BrNO3 1 821.41 +1801 2137 M-2H+Na 325087 244.22632599999997 244.2272201632182 742.5203014613674 223.25166 C9H9N3O2S 1 632.68 1803 2449 M-2H+Na 579790 259.19124919999996 259.1904833078221 612.2628819413504 238.21658319999995 C14H7FN2O 1 774.35 +1804 6434 M-2H+Na 567069 439.16908600000005 439.1702006559496 409.40128928785566 418.19442000000004 C21H33NSn 1 675.54 1805 3335 M-2H+Na 207268 297.262506 297.2613755993732 801.673075661711 276.28783999999996 C14H16N2O4 1 678.26 +1806 3277 M-2H+Na 169244 295.08738600000004 295.0860127367197 270.2602380523345 274.11272 C13H8BrNO 1 806.53 +1807 2378 M-2H+Na 421835 256.17082600000003 256.16973747343695 753.3933957961125 235.19616000000002 C10H9N3O4 1 713.71 +1808 1534 M-2H+Na 643106 213.18584600000003 213.18497052495945 573.132548336717 192.21118 C11H12O3 1 666.7 +1813 1901 M-2H+Na 614240 232.082157 232.08277885579903 227.3157189175034 211.10749099999998 C7H9NaO4P+ 1 93.17 +1814 4072 M-2H+Na 221782 327.2884859999999 327.2885223943134 932.1895427205701 306.3138199999999 C15H18N2O5 1 737.86 +1815 2052 M-2H+Na 281976 240.16812600000003 240.1674698632438 596.4988626010579 219.19346000000002 C11H9NO4 1 725.37 1816 3622 M-2H+Na 598932 308.293286 308.29422595765533 883.947499571743 287.31862 C17H13N5 1 640.3 +1818 1978 M-2H+Na 428165 236.1282524 236.1282490565478 455.7243348672263 215.1535864 C9H7F2NO3 1 703.58 +1819 3257 M-2H+Na 597697 294.09932599999996 294.1004147114137 252.49776154283322 273.12465999999995 C14H9BrO 1 1016.79 +1820 8211 M-2H+Na 218909 536.1776889999999 536.1754665473294 515.0545634190902 515.2030229999999 C12H16N5O12P3 1 596.76 +1821 2053 M-2H+Na 220326 240.171426 240.17061867543276 216.34696833995648 219.19675999999998 C10H9N3O3 1 632.07 +1822 1208 M-2H+Na 530777 195.14904919999998 195.14915290614906 270.91790045054756 174.1743832 C10H7FN2 1 701.83 +1824 1627 M-2H+Na 56287 218.16260599999998 218.16231266187182 562.3678689195855 197.18794 C9H11NO4 1 519.44 +1825 2341 M-2H+Na 671356 254.174826 254.1752099884966 812.5092915341203 233.20016 C11H9N2O4- 1 640.32 1826 11110 M-2H+Na 864075 822.6488660000002 822.6491232368307 1190.3561493479465 801.6742000000003 C46H30Cl2N6O4 1 1694.87 +1828 1224 M-2H+Na 109342 196.115566 196.1163029579864 917.5986230097 175.1409 C9H5NO3 1 619.6 +1829 564 M-2H+Na 291379 158.11724599999997 158.11776727755594 356.8062820523462 137.14257999999998 C5H7N5 1 168.58 +1832 3622 M-2H+Na 169395 308.293286 308.29422595765533 883.947499571743 287.31862 C17H13N5 1 870.02 1833 3167 M-2H+Na 546125 290.069326 290.0693240372989 312.2017144928342 269.09466 C10H9BrN2O2 1 792.75 +1834 1497 M-2H+Na 244553 211.169966 211.16938556127633 490.2767589115096 190.1953 C11H10O3 1 783.2 1835 3771 M-2H+Na 337919 315.05684700000006 315.05636268104706 721.9394706981539 294.08218100000005 C9H13BrNO3P 1 647.05 +1837 7075 M-2H+Na 853652 469.3515659999999 469.34925399727655 1048.5888234890558 448.37689999999986 C21H20O11 1 706.38 +1838 7076 M-2H+Na 853652 469.3515659999999 469.3519798509968 694.811375698998 448.37689999999986 C21H20O11 1 706.38 1841 1461 M-2H+Na 241495 209.10291240000004 209.10241669948908 210.13649787927346 188.12824640000002 C8H6F2O3 1 724.02 1844 3177 M-2H+Na 701363 290.2450491999999 290.2455187241061 901.196670943718 269.2703831999999 C16H12FNO2 1 830.38 1845 4235 M-2H+Na 361746 334.30910599999993 334.3101058968509 951.656776964783 313.3344399999999 C14H11N5O2S 1 732.75 +1846 192 M-2H+Na 9060 131.085306 131.08568460782328 401.88706656405833 110.11063999999999 C6H6O2 1 661.47 +1847 1117 M-2H+Na 385619 189.164446 189.16381861799405 608.0257615203632 168.18978 C9H12O3 1 673.31 +1850 3440 M-2H+Na 505962 301.25274599999995 301.2529159718673 740.5858844997042 280.27807999999993 C16H12N2O3 1 936.51 +1851 6761 M-2H+Na 433330 453.3967659999997 453.396909061703 915.2156992508295 432.42209999999966 C25H20O7 1 884.86 +1852 3016 M-2H+Na 45065 284.15616600000004 284.1572760668513 607.9773653991842 263.1815 C7H5NO8S 1 424.91 +1853 1043 M-2H+Na 699775 185.15428599999996 185.1537111451596 598.8743031481318 164.17961999999997 C5H8O4S 1 586.78 +1854 1207 M-2H+Na 81566 195.13763559999995 195.1381708922973 526.1495315122626 174.16296959999994 C9H9F3 1 953.7 +1855 577 M-2H+Na 553390 159.10200599999996 159.10179170686402 469.29392479348314 138.12733999999998 C5H6N4O 1 328.21 +1856 4621 M-2H+Na 287500 353.231186 353.2321756600579 598.2799584024987 332.25651999999997 C13H18BrNO2S 1 992.95 +1857 3752 M+Na-2H 227007 314.12266600000004 314.1234555996454 376.4791498151802 293.148 C14H10Cl2N2O 1 989.46 +1858 3053 M+Na-2H 179090 285.2171155999999 285.21701603669453 363.15114213642204 264.2424495999999 C15H11F3O 1 1001.01 +1859 4252 M+Na-2H 565033 335.19276599999995 335.19135274331484 294.94085527127 314.21809999999994 C14H20BrNO2 1 846.59 1860 3080 M+Na-2H 550851 286.236566 286.23742596838093 666.4295809424892 265.26189999999997 C13H15NO5 1 636.99 1861 600 M+Na-2H 354598 161.02516599999996 161.02517736144847 1104.89560418479 140.05049999999997 C5O5 1 531.63 1862 4210 M+Na-2H 79544 333.33436599999993 333.3343089104253 803.1575353386429 312.3596999999999 C19H20O4 1 1009.02 +1863 9171 M+Na-2H 509369 608.343626 608.3419903136702 621.0320871687961 587.36896 C30H44O4Sn 1 659.44 +1864 10040 M+Na-2H 860556 695.3859480000003 695.3864235357216 767.9928171822285 674.4112820000004 C20H24N10O13P2 1 627.62 +1865 2312 M+Na-2H 595776 253.0908956 253.0900976904701 364.9386691967868 232.11622960000003 C8H3F3N2O3 1 776.4 +1866 1534 M+Na-2H 210209 213.18584600000003 213.18497052495945 573.132548336717 192.21118000000004 C11H12O3 1 761.64 1867 6491 M+Na-2H 640453 441.261976 441.2598496041179 618.707080821787 420.28731 C19H21IN2O 1 945.23 +1871 2052 M+Na-2H 378945 240.16812599999997 240.1674698632438 596.4988626010579 219.19346 C11H9NO4 1 597.54 1872 5541 M+Na-2H 96094 396.2294859999999 396.22911391627855 870.8976617488422 375.2548199999999 C16H23BrO5 1 1042.64 +1873 5542 M+Na-2H 96094 396.2294859999999 396.2291143443847 407.6521050080946 375.2548199999999 C16H23BrO5 1 1042.64 +1874 5543 M+Na-2H 96094 396.2294859999999 396.2312306729651 889.4464563930132 375.2548199999999 C16H23BrO5 1 1042.64 1875 1242 M+Na-2H 661530 197.164986 197.16496041845156 308.31983683171995 176.19032 C6H8O4S 1 646.39 +1877 4379 M+Na-2H 391249 341.22202599999997 341.2225222368661 651.0201811066446 320.24735999999996 C15H14BrNS 1 1019.77 1878 3840 M+Na-2H 253840 317.24892919999996 317.2477045907775 641.5201851937252 296.27426319999995 C12H9FN2O4S 1 759.86 1879 1117 M+Na-2H 251020 189.164446 189.16381861799405 608.0257615203632 168.18978 C9H12O3 1 700.59 1882 1381 M+Na-2H 54002 204.182386 204.18294195963534 687.7312884734715 183.20772000000002 C8H13N3O2 1 571.51 +1883 8825 M+Na-2H 615242 578.3189459999998 578.3167786831185 553.3296087218121 557.3442799999998 C30H42NiO6 1 975.47 +1884 8826 M+Na-2H 615242 578.3189459999998 578.3186458489621 637.3093800236395 557.3442799999998 C30H42NiO6 1 975.47 +1888 7008 M+Na-2H 659900 466.20446599999997 466.2038047075266 288.6997081833232 445.22979999999995 C10H20BrCl3Sn 1 819.34 1890 2561 M+Na-2H 644699 264.231046 264.2300199535537 878.0918269800861 243.25638 C11H17NO5 1 633.94 +1891 1472 M+Na-2H 203625 210.08439879999997 210.08445635332913 509.68965608587513 189.1097328 C8H3F4N 1 828.35 +1892 6016 M+Na-2H 59810 419.2167859999999 419.21658175991683 585.7785493488288 398.2421199999999 C20H13Cl2N3O2 1 927.3 +1893 9372 M+Na-2H 589059 625.7890060000002 625.7905718893024 296.85370560871695 604.8143400000002 C35H56O8 1 851.72 +1894 2325 M+Na-2H 285656 253.251466 253.25267033088795 838.6537233320302 232.2768 C10H20N2O4 1 597.04 +1896 2996 M+Na-2H 123163 283.19616599999995 283.1955345998142 199.26377829871123 262.22149999999993 C11H10N4O4 1 559.28 +1898 4132 M+Na-2H 137924 330.16182599999996 330.16284417365324 526.1751399310202 309.18715999999995 C16H14Cl2O2 1 1093.05 +1899 5496 M+Na-2H 227042 394.29344600000013 394.2951638475308 762.2091446528194 373.3187800000001 C21H22Cl2N2 1 773.57 +1907 3635 M+Na-2H 196682 309.11792519999995 309.1180530153914 259.6220097673992 288.14325919999993 C10H6F6O3 1 844.76 +1908 5432 M+Na-2H 716639 392.1110460000001 392.1095751308586 830.3838242716686 371.1363800000001 C17H32OSn 1 576.09 +1909 3026 M+Na-2H 270702 284.26528599999995 284.266229205713 866.4615024801656 263.29061999999993 C17H13NO2 1 1168.64 1910 3694 M+Na-2H 583161 311.2212091999999 311.2215472286491 611.7933888433852 290.2465431999999 C14H11FN2O4 1 648.6 1911 1084 M+Na-2H 849101 187.14856600000002 187.1482625461296 638.5485184039006 166.1739 C9H10O3 1 680.8 1912 4036 M+Na-2H 673726 326.19472599999995 326.1962958756344 486.54954519313054 305.22005999999993 C13H14Cl2O2S 1 1153.15 1913 4057 M+Na-2H 863538 327.1214260000001 327.1219979944616 355.9419015832957 306.1467600000001 C14H9Cl2N3O 1 793.77 1914 269 M+Na-2H 594091 137.132946 137.1326324611217 555.4873149832712 116.15828 C6H12O2 1 330.44 +1917 2503 M+Na-2H 660217 262.129386 262.1287405953489 357.1628079885329 241.15472 C10H18Cl2O2 1 1139.89 +1918 4144 M+Na-2H 172861 330.337026 330.3362778997565 1012.5091908595028 309.36235999999997 C18H19N3O2 1 841.43 1920 2136 M+Na-2H 444087 244.20142599999997 244.2017645365134 208.14021250727347 223.22675999999998 C14H9NO2 1 752.04 1922 1998 M+Na-2H 728317 237.14795880000003 237.14869835843598 572.2663090709849 216.1732928 C8H12F4O2 1 774.47 +1924 2537 M+Na-2H 504959 263.201466 263.20058405351074 664.4684595021045 242.22679999999997 C14H10O4 1 772.22 +1929 4746 M+Na-2H 709795 359.115076 359.1151025852892 538.9695641868051 338.14041 C14H11IO2 1 1268.39 +1930 3017 M+Na-2H 46438 284.16052700000006 284.1602999994579 319.92549500540207 263.18586100000005 C12H10NO4P 1 711.44 +1931 9042 M+Na-2H 247082 596.379846 596.3782313250473 727.003868682127 575.4051800000001 C26H27BrN2O8 1 716.73 +1937 1750 M+Na-2H 227228 225.196546 225.19619238008187 1019.2596478886063 204.22188000000003 C12H12O3 1 744.82 +1938 3014 M+Na-2H 408600 284.14142599999997 284.14278805726576 217.6987795414325 263.16675999999995 C8H4Cl2N2S2 1 1000.6 1939 3467 M+Na-2H 291606 302.29046600000004 302.29069036535 568.5990771262291 281.3158 C14H15N7 1 584.34 1941 1629 M+Na-2H 857490 218.21226599999994 218.21162574462366 1091.9279600448929 197.23759999999996 C8H15N5O 1 523.2 +1942 4072 M+Na-2H 99755 327.29002599999995 327.2885223943134 932.1895427205701 306.31535999999994 C18H14N2O3 1 890.99 1944 1381 M+Na-2H 390010 204.18392599999999 204.18294195963534 687.7312884734715 183.20926 C11H9N3 1 614.97 +1947 5162 M+Na-2H 861953 379.2305659999999 379.2320594414317 510.48218558760414 358.2558999999999 C17H10O9 1 647.21 +1952 5440 M+Na-2H 183176 392.181106 392.18147997447676 375.6241767900123 371.20644 C13H11BrN2O4S 1 823.16 1953 1750 M+Na-2H 615851 225.196546 225.19619238008187 1019.2596478886063 204.22188 C12H12O3 1 768.12 +1956 4023 M+Na-2H 533128 325.27260599999994 325.27364618042014 718.5851049205214 304.2979399999999 C15H16N2O5 1 643.14 1958 3389 M+Na-2H 506223 300.103906 300.10271783358934 331.2491396267873 279.12924 C13H11BrO2 1 935.02 +1961 4434 M+Na-2H 570079 344.17118700000003 344.1702157266901 514.3195654844524 323.196521 C9H14N3O8P 1 195.8 +1962 712 M+Na-2H 102037 167.163766 167.16457281290255 221.78716040419684 146.1891 C9H10N2 1 660.9 +1964 6195 M+Na-2H 110891 427.32302599999997 427.3246190664021 715.1597603763884 406.34835999999996 C20H14N4O6 1 797.94 1965 5209 M+Na-2H 192207 382.229346 382.2301819305437 581.3315068371588 361.25468 C13H17BrN2O3S 1 711.5 +1966 5023 M+Na-2H 191329 372.2096259999999 372.21020368136544 484.58834622071896 351.2349599999999 C17H19BrO3 1 1084.79 +1969 3607 M+Na-2H 490257 308.12436599999995 308.1243754406652 202.9883732216296 287.14969999999994 C12H15BrO3 1 918.77 +1975 2846 M+Na-2H 45400 276.16882599999997 276.16782515397495 989.6646444656474 255.19415999999998 C6H9N9O3 1 156.48 +1982 801 M+Na-2H 562621 172.14052599999997 172.14138324283908 587.605398082657 151.16585999999998 C7H9N3O 1 165.09 +1983 269 M+Na-2H 7781 137.132946 137.1326324611217 555.4873149832712 116.15827999999999 C6H12O2 1 721.88 +1984 4304 M+Na-2H 869287 337.32812599999994 337.3293279258351 932.642699840073 316.3534599999999 C13H24N4O5 1 412.22 +1985 3008 M+Na-2H 314255 284.107806 284.10695713861753 272.9023806197033 263.13313999999997 C12H11BrN2 1 733.5 +1988 3294 M+Na-2H 728122 295.24662599999994 295.24592733674143 767.2658032566966 274.2719599999999 C14H14N2O4 1 806.53 +1989 1099 M+Na-2H 233925 188.13662599999998 188.13638083642994 491.64949492238634 167.16196 C8H9NO3 1 579.83 +1990 9426 M+Na-2H 425594 629.6549060000001 629.6526445481538 274.23734027949206 608.6802400000001 C36H36N2O7 1 700.37 +1992 2721 M+Na-2H 724475 270.242006 270.24288393635123 751.3335704081153 249.26734 C15H11N3O 1 797.52 +1993 2537 M+Na-2H 377749 263.201466 263.20058405351074 664.4684595021045 242.22679999999997 C14H10O4 1 802.73 2000 2469 M+Na-2H 176626 260.204126 260.2046220052501 301.7628093874563 239.22945999999996 C13H9N3O2 1 590.07 +2001 1442 M+Na-2H 345342 208.09663559999996 208.09705750698578 351.35529694938003 187.12196959999997 C7H4F3N3 1 736.81 2004 6372 M+Na-2H 118697 435.2213915999998 435.222755479169 573.3116732886365 414.24672559999976 C17H10F8O3 1 1262.75 +2005 1340 M+Na-2H 512136 202.16650600000003 202.16722814334844 631.1260739803711 181.19184 C8H11N3O2 1 474.33 2006 1822 M+Na-2H 67901 228.20378600000004 228.2040105390728 843.9622344240522 207.22912000000002 C10H13N3O2 1 676.68 +2007 5475 M+Na-2H 225490 393.3071460000001 393.30843644254605 824.2725914783691 372.3324800000001 C18H27Cl2N3O 1 598.02 2008 3277 M+Na-2H 636794 295.08584599999995 295.0860127367197 270.2602380523345 274.11117999999993 C10H12BrNO3 1 821.41 2010 1293 M+Na-2H 558536 200.110866 200.11115637494467 424.75737909017846 179.13619999999997 C6H5N5O2 1 270.14 +2013 3335 M+Na-2H 207268 297.262506 297.2613755993732 801.673075661711 276.28783999999996 C14H16N2O4 1 678.26 +2014 3277 M+Na-2H 169244 295.08738600000004 295.0860127367197 270.2602380523345 274.11272 C13H8BrNO 1 806.53 +2015 2378 M+Na-2H 421835 256.17082600000003 256.16973747343695 753.3933957961125 235.19616000000002 C10H9N3O4 1 713.71 +2016 1534 M+Na-2H 643106 213.18584600000003 213.18497052495945 573.132548336717 192.21118 C11H12O3 1 666.7 +2017 2663 M+Na-2H 424722 268.22788599999996 268.22718852346395 720.4688698322792 247.25321999999997 C11H13N5O2 1 601.33 2018 5195 M+Na-2H 497634 381.2492660000001 381.24784863092395 633.4350052166574 360.2746000000001 C22H20N2Ti-- 1 941.55 +2019 3545 M+Na-2H 230948 305.24650599999995 305.2470941689405 702.8997180773499 284.27183999999994 C10H16N6O4-- 1 683.23 +2020 2500 M+Na-2H 421819 262.110407 262.11104106690283 375.41187918424464 241.135741 C6H12NO7P 1 107.38 +2024 3622 M+Na-2H 598932 308.293286 308.29422595765533 883.947499571743 287.31862 C17H13N5 1 640.3 2026 1978 M+Na-2H 428165 236.1282524 236.1282490565478 455.7243348672263 215.1535864 C9H7F2NO3 1 703.58 +2027 3257 M+Na-2H 597697 294.09932599999996 294.1004147114137 252.49776154283322 273.12465999999995 C14H9BrO 1 1016.79 2030 1208 M+Na-2H 530777 195.14904919999998 195.14915290614906 270.91790045054756 174.1743832 C10H7FN2 1 701.83 +2032 1627 M+Na-2H 56287 218.16260599999998 218.16231266187182 562.3678689195855 197.18794 C9H11NO4 1 519.44 +2033 2341 M+Na-2H 671356 254.174826 254.1752099884966 812.5092915341203 233.20016 C11H9N2O4- 1 640.32 2034 11110 M+Na-2H 864075 822.6488660000002 822.6491232368307 1190.3561493479465 801.6742000000003 C46H30Cl2N6O4 1 1694.87 2035 1223 M+Na-2H 109342 196.115566 196.11630097900903 244.67336397447576 175.1409 C9H5NO3 1 619.6 +2036 1224 M+Na-2H 109342 196.115566 196.1163029579864 917.5986230097 175.1409 C9H5NO3 1 619.6 2037 564 M+Na-2H 291379 158.11724599999997 158.11776727755594 356.8062820523462 137.14257999999998 C5H7N5 1 168.58 +2038 5983 M+Na-2H 242167 417.3761060000001 417.37632317796226 891.4797521475354 396.4014400000001 C22H16N6O2 1 686.67 2046 7076 M+Na-2H 853652 469.3515659999999 469.3519798509968 694.811375698998 448.37689999999986 C21H20O11 1 706.38 +2053 4235 M+Na-2H 361746 334.30910599999993 334.3101058968509 951.656776964783 313.3344399999999 C14H11N5O2S 1 732.75 +2054 192 M+Na-2H 9060 131.085306 131.08568460782328 401.88706656405833 110.11063999999999 C6H6O2 1 661.47 2055 1117 M+Na-2H 385619 189.164446 189.16381861799405 608.0257615203632 168.18978 C9H12O3 1 673.31 +2056 4187 M+Na-2H 568077 332.329686 332.33127136982904 807.7065074783045 311.35501999999997 C17H13NO3S 1 763.99 +2057 2090 M+Na-2H 365867 242.14754599999998 242.14676893641732 488.5256306940077 221.17288 C8H7N5O3 1 585.3 +2058 3440 M+Na-2H 505962 301.25274599999995 301.2529159718673 740.5858844997042 280.27807999999993 C16H12N2O3 1 936.51 2059 6761 M+Na-2H 433330 453.3967659999997 453.396909061703 915.2156992508295 432.42209999999966 C25H20O7 1 884.86 +2060 3016 M+Na-2H 45065 284.15616600000004 284.1572760668513 607.9773653991842 263.1815 C7H5NO8S 1 424.91 +2061 1043 M+Na-2H 699775 185.15428599999996 185.1537111451596 598.8743031481318 164.17961999999997 C5H8O4S 1 586.78 +2062 1207 M+Na-2H 81566 195.13763559999995 195.1381708922973 526.1495315122626 174.16296959999994 C9H9F3 1 953.7 +2063 577 M+Na-2H 553390 159.10200599999996 159.10179170686402 469.29392479348314 138.12733999999998 C5H6N4O 1 328.21 +2064 4621 M+Na-2H 287500 353.231186 353.2321756600579 598.2799584024987 332.25651999999997 C13H18BrNO2S 1 992.95 +2066 3662 2M-H+Cl 227007 310.12906300000003 310.128102757469 338.0332552724465 293.148 C14H10Cl2N2O 1 989.46 +2070 2973 2M-H+Cl 550851 282.242963 282.24251242737495 776.8927527831602 265.26189999999997 C13H15NO5 1 636.99 +2072 2641 2M-H+Cl 705243 267.228323 267.2288887475244 1034.1540745164805 250.24725999999998 C13H14O5 1 764.56 +2073 405 2M-H+Cl 569773 147.09206011199998 147.09179824939835 255.74033200852128 130.11099711199998 C4H3D4NaO3 1 293.51 +2076 2510 2M-H+Cl 522937 262.1869862 262.1882630918191 632.4404607028409 245.20592319999997 C13H8FNO3 1 780.35 2077 1128 2M-H+Cl 628005 190.1162126 190.11558926278718 480.03611048634394 173.1351496 C8H6F3N 1 705.06 2079 5144 2M-H+Cl 169178 378.22582400000005 378.2269836573995 589.7627574355041 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 2082 2392 2M-H+Cl 344309 257.069743 257.0705278650213 287.58369233807196 240.08868 C10H7Cl2N3 0 902.73 @@ -396,447 +1104,1362 @@ 2084 3078 2M-H+Cl 336577 286.20027259999995 286.2012383159521 469.81982244620013 269.21920959999994 C13H10F3NO2 1 924.7 2085 3409 2M-H+Cl 222379 300.26188300000007 300.26149049868815 841.7023146461108 283.28082000000006 C13H28Cl2N2 1 388.51 2086 2855 2M-H+Cl 555479 276.2318093999999 276.2322860854976 942.5432427857796 259.2507463999999 C15H11F2NO 1 993.06 +2089 4115 2M-H+Cl 269339 329.21488299999993 329.2150962154558 444.7541593512129 312.2338199999999 C15H8N2O6 1 696.63 2090 5091 2M-H+Cl 370426 375.21570219999984 375.21483300077733 707.408336732706 358.23463919999983 C17H8F6O2 1 913.72 +2094 1530 2M-H+Cl 307448 213.141183 213.14179220897245 1196.755476334467 196.16012 C8H8N2O4 1 523.5 +2095 7050 2M-H+Cl 518021 468.28065300000003 468.27861057288675 667.6571554949484 451.29959 C23H18INO 1 1114.68 2096 7051 2M-H+Cl 518021 468.28065300000003 468.2799693990954 628.3888024104017 451.29959 C23H18INO 0 1114.68 +2097 4919 2M-H+Cl 645349 367.2098029999999 367.2109574315812 534.4993026239704 350.2287399999999 C12H16BrNO4S 1 872.96 2098 2285 2M-H+Cl 103131 251.23706299999992 251.23716343580654 839.738242923298 234.25599999999991 C14H10N4 1 635.83 +2099 2080 2M-H+Cl 536995 242.06622299999998 242.06647867088844 342.35966578866123 225.08515999999997 C9H9BrN2 1 620.84 +2104 5397 2M-H+Cl 227042 390.2998430000001 390.29981134094174 667.6172840315949 373.3187800000001 C21H22Cl2N2 1 773.57 +2106 1150 2M-H+Cl 666765 191.180263 191.17949506160525 664.3321074066803 174.1992 C10H10N2O 1 616.16 +2107 4555 2M-H+Cl 97481 350.20228299999997 350.2011579076082 440.29281132584737 333.22121999999996 C20H13Br 0 1098.8 +2108 3530 2M-H+Cl 196682 305.12432219999994 305.1241376546814 325.0625906390997 288.14325919999993 C10H6F6O3 1 844.76 2110 2527 2M-H+Cl 303373 263.11408300000005 263.11387414544953 342.22876576096417 246.13302000000004 C11H13Cl2NO 1 885.08 +2116 3581 2M-H+Cl 571279 307.01409620000004 307.0138843378003 1245.646195799031 290.03303320000003 C8H4FIN2O 1 734.19 +2119 8555 2M-H+Cl 442240 559.4365449999998 559.438901873176 1066.2185775510152 542.4554819999998 C30H24O6P2 1 1061.76 +2121 3477 2M-H+Cl 564971 303.12608300000005 303.12630680367533 396.45820748544907 286.14502000000005 C10H8BrNO2S 1 1077.92 +2123 1126 2M-H+Cl 45751 190.09416300000004 190.0945453373453 484.80203791992056 173.11310000000003 C4H10Cl2OSi 0 909.09 +2124 7774 2M-H+Cl 226415 509.3574730000001 509.3592955824522 973.0443515998625 492.3764100000001 C20H21IN4OS 1 851.43 2127 3608 2M-H+Cl 654608 308.124303 308.1256830726395 231.77887308745034 291.14324 C13H11BrN2O 1 888.33 2128 3609 2M-H+Cl 654608 308.124303 308.1256838364027 794.9261856586581 291.14324 C13H11BrN2O 1 888.33 +2129 2030 2M-H+Cl 312022 239.14883259999996 239.14899706893348 1129.6771668180852 222.16776959999996 C7H9F3N4O 1 693.93 +2130 4762 2M-H+Cl 443498 359.2790829999999 359.279013410712 723.8500341104852 342.2980199999999 C15H18O9 1 761.92 +2131 3623 2M-H+Cl 120983 308.67086299999994 308.6714766375025 521.6079853247154 291.68979999999993 C13H10ClN3O3 1 839.86 +2134 562 2M-H+Cl 277048 158.09246299999998 158.0927355090972 180.8176837567003 141.11139999999997 C3H5N6O+ 1 625.9 +2135 2639 2M-H+Cl 185823 267.1969325999999 267.1956243226865 583.4205255683313 250.21586959999993 C14H9F3O 1 953.98 +2136 3267 2M-H+Cl 20637 294.19526400000007 294.19621484336955 1039.950788273796 277.21420100000006 C9H16N3O5P 1 758.24 +2145 1966 2M-H+Cl 591443 235.2047062 235.2056792316725 692.848762216732 218.2236432 C13H11FO2 1 815.84 +2146 3063 2M-H+Cl 588237 286.075723 286.07463356679096 326.61004300854074 269.09466 C10H9BrN2O2 1 796.19 +2148 4115 2M-H+Cl 517331 329.21522300000004 329.2150962154558 444.7541593512129 312.23416000000003 C16H19Cl2NO 1 632.34 +2150 4953 2M-H+Cl 143106 369.16400300000004 369.1647325156601 378.55551130132943 352.18294000000003 C8H6ClHgN 1 313.89 +2151 851 2M-H+Cl 325677 175.132963 175.13296889494208 429.5414173355159 158.15189999999998 C7H10O4 1 678.9 +2154 1647 2M-H+Cl 342232 219.21012399999998 219.21060077221856 789.3038842108524 202.22906099999997 C2H5K2O4P 1 272.62 2157 4270 2M-H+Cl 303934 336.2158925999999 336.21689010001734 565.313368724048 319.2348295999999 C16H8F3NO3 1 918.19 2159 5968 2M-H+Cl 321399 417.225492 417.22418612646385 688.5345188185596 400.24442899999997 C15H21IN2O3 1 651.78 +2161 4210 2M-H+Cl 869287 333.33452299999993 333.3343089104253 803.1575353386429 316.3534599999999 C13H24N4O5 1 412.22 2162 3204 2M-H+Cl 728122 291.2530229999999 291.25284825941696 781.4748534084662 274.2719599999999 C14H14N2O4 1 806.53 +2163 1102 2M-H+Cl 140749 188.176323 188.1756906304291 796.6631728876738 171.19526 C11H9NO 1 686.59 +2164 2118 2M-H+Cl 298033 243.251523 243.25101951660065 884.2093336230238 226.27045999999999 C15H14O2 1 943.79 +2165 5779 2M-H+Cl 331788 408.273603 408.2745788239024 667.1882982191905 391.29254 C23H16Cl2N2 1 1009.34 +2167 2879 2M-H+Cl 262187 278.10532620000004 278.10590452765985 349.1330963692476 261.12426320000003 C6H4FN5O6 0 621.64 2168 4447 2M-H+Cl 617525 345.08544299999994 345.08529586923333 204.65154997424716 328.10437999999994 C13H7Cl2NO5 1 888.05 2169 2384 2M-H+Cl 176626 256.21052299999997 256.2102374301569 307.62208071909373 239.22945999999996 C13H9N3O2 1 590.07 +2170 1371 2M-H+Cl 345342 204.10303259999998 204.1020971445428 1184.676258069521 187.12196959999997 C7H4F3N3 1 736.81 +2171 1372 2M-H+Cl 345342 204.10303259999998 204.10250432537703 401.3539286769016 187.12196959999997 C7H4F3N3 1 736.81 +2172 6284 2M-H+Cl 118697 431.22778859999977 431.2261343395286 434.8545478924 414.24672559999976 C17H10F8O3 0 1262.75 +2174 3789 2M-H+Cl 586826 315.1951325999999 315.19546282858863 603.5702760868883 298.2140695999999 C14H9F3O4 1 844.28 +2178 1284 2M-H+Cl 261532 200.037664 200.03760040614154 381.5229868527024 183.056601 C3H6NO6P-- 1 77.72 2179 2056 2M-H+Cl 325087 240.232723 240.232124530664 872.0992447843912 223.25166 C9H9N3O2S 1 632.68 +2182 1875 2M-H+Cl 323495 231.083343 231.08399149934343 853.4341476966258 214.10228 C9H12BrN 1 670.35 2183 1772 2M-H+Cl 630662 226.17970300000005 226.180289050129 780.1064465968182 209.19864000000004 C10H11NO4 1 640.75 2185 2561 2M-H+Cl 25060 264.230983 264.2300199535537 878.0918269800861 247.24991999999997 C12H13N3O3 1 636.23 +2186 3440 2M-H+Cl 230948 301.25290299999995 301.2529159718673 740.5858844997042 284.27183999999994 C10H16N6O4-- 1 683.23 +2190 3518 2M-H+Cl 598932 304.299683 304.2997462617335 747.2738379549876 287.31862 C17H13N5 1 640.3 +2191 6581 2M-H+Cl 130249 445.406203 445.40718865404165 974.9317639935387 428.42514 C17H16N8O4S 1 623.1 +2196 2256 2M-H+Cl 671356 250.18122300000002 250.1815953727546 373.2698391402929 233.20016 C11H9N2O4- 1 640.32 +2197 875 2M-H+Cl 476089 177.066279 177.06602573216242 247.49272839761483 160.085216 C5H5F5 1 575.76 +2198 876 2M-H+Cl 476089 177.066279 177.06618546867043 1045.0111682087827 160.085216 C5H5F5 1 575.76 +2199 3771 2M-H+Cl 435103 315.057613 315.05636268104706 721.9394706981539 298.07655 C11H7IO2 1 859.67 2200 1852 2M-H+Cl 365964 230.052223 230.05268065286293 759.1954530857223 213.07116 C9H9BrO 1 905.99 +2201 4426 2M-H+Cl 707190 343.2833230000001 343.2841924454914 677.8178298871323 326.3022600000001 C15H29Cl2NO2 1 1060.62 +2204 3393 2M-H+Cl 603699 300.143603 300.14401609378297 396.6822142027991 283.16254 C16H11Br 1 1170.51 +2205 3518 2M-H+Cl 169395 304.299683 304.2997462617335 747.2738379549876 287.31862 C17H13N5 1 870.02 +2206 3063 2M-H+Cl 546125 286.075723 286.07463356679096 326.61004300854074 269.09466 C10H9BrN2O2 1 792.75 2209 2117 2M-H+Cl 123248 243.215063 243.21474945409295 454.3164552507933 226.23399999999998 C12H10N4O 1 614.07 2213 1116 2M-H+Cl 101012 189.159543 189.1596424500623 268.8362975120546 172.17848 C8H12O4 1 603.45 2214 1852 2M-H+Cl 590516 230.052223 230.05268065286293 759.1954530857223 213.07116 C9H9BrO 1 751.6 2215 4223 2M-H+Cl 20821 334.16876299999996 334.16774380432673 569.1844569485835 317.18769999999995 C13H10Cl2O3S 1 1049.84 +2220 3872 2M-H+Cl 23307 319.15742300000005 319.15710805232095 467.0122434761701 302.17636000000005 C12H9Cl2NO2S 1 987.92 2225 1891 2M-H+Cl 473646 231.18964939999998 231.18944743411905 191.46099599578335 214.20858639999997 C11H12F2O2 0 642.88 +2226 3383 2M-H+Cl 88241 299.2783229999999 299.2773480579938 815.5132146132555 282.2972599999999 C15H14N4O2 1 769.2 2227 2387 2M-H+Cl 186576 256.23542299999997 256.2351663149414 856.1643733605544 239.25436 C8H9N5O2S 1 601.71 +2228 6261 2M-H+Cl 661077 430.22968299999985 430.23049220300373 481.8854764318719 413.24861999999985 C19H18Cl2O6 1 880.83 +2229 1340 2M-H+Cl 491653 202.166443 202.16722814334844 631.1260739803711 185.18537999999998 C9H7N5 1 768.58 +2230 2579 2M-H+Cl 250069 265.1397526 265.1392577299398 349.08928292686517 248.1586896 C9H7F3N2O3 1 746.14 +2231 5128 2M-H+Cl 403579 377.21496299999995 377.21503328016223 631.2493274800685 360.23389999999995 C19H15Cl2NO2 1 1127.04 +2233 7938 3M-H+Cl 98329 518.338273 518.3401883259562 967.3466483945429 334.23814 C15H21Cl2NO3 1 1042.81 +2234 5078 3M-H+Cl 143444 374.276773 374.2769111662402 712.7366690359131 238.19714 C11H21Cl2N 1 857.55 2235 7961 3M-H+Cl 358590 520.0755729999998 520.0738090165103 484.03990908151104 335.39633999999995 C21H21NO3 1 881.07 +2239 8386 3M-H+Cl 218463 548.6500029999997 548.647690048356 1137.277217109292 354.4459599999999 C18H14N2O2S2 1 1114.25 +2242 3905 3M-H+Cl 386452 320.23042300000003 320.23002356237913 670.9677246544445 202.16624000000002 C10H6N2O3 1 689.99 +2243 8850 3M-H+Cl 96094 579.8632929999998 579.8613952818307 767.8081004492547 375.2548199999999 C16H23BrO5 0 1042.64 +2244 8851 3M-H+Cl 96094 579.8632929999998 579.8632583556562 774.9973431903172 375.2548199999999 C16H23BrO5 0 1042.64 +2250 8120 3M-H+Cl 506132 531.1481529999999 531.1480521160883 605.5675701031568 342.7780599999999 C14H19ClN4O4 1 386.34 +2251 7141 3M-H+Cl 699839 473.27314449999994 473.27473191446904 615.6842988779076 304.19472099999996 C13H9N2O5P 1 779.79 +2257 11008 3M-H+Cl 261695 808.3976230000001 808.3958459988546 512.2706112963689 527.6110400000001 C24H41N5O8 1 749.54 +2258 8312 3M-H+Cl 645349 542.3241729999997 542.3255170066609 494.25627809494233 350.2287399999999 C12H16BrNO4S 0 872.96 2265 5365 3M-H+Cl 569582 389.2538074 389.25376351367464 549.892524291894 248.18182960000001 C8H3F3N2O2S 0 770.03 +2266 5486 3M-H+Cl 240654 394.20550299999985 394.2058711378422 429.2574596110904 251.4829599999999 C15H29NSi 0 1049.83 +2273 4116 3M-H+Cl 625541 329.232343 329.2322398821877 640.3470305274884 208.16752 C10H8O5 1 659.59 2276 1929 3M-H+Cl 31252 233.173993 233.17308265786411 691.5994987889758 144.12861999999998 C5H8N2O3 1 608.9 +2280 5003 3M-H+Cl 508498 371.22679450000004 371.22542404132884 476.7901855054863 236.163821 C10H9N2O3P 1 476.37 +2281 5004 3M-H+Cl 508498 371.22679450000004 371.2283015023992 426.41045083459574 236.163821 C10H9N2O3P 1 476.37 +2282 3314 3M-H+Cl 357668 296.293603 296.2945323246938 935.8300973491234 186.20836000000003 C8H14N2O3 1 682.38 2284 3549 3M-H+Cl 20695 305.30278300000003 305.3030241053062 748.3902861388195 192.21448 C10H12N2O2 1 137.53 +2285 7686 3M-H+Cl 54693 504.31405300000023 504.3157782028869 678.8138298705445 324.88866000000013 C18H29ClN2O 1 692.73 2286 4875 3M-H+Cl 359010 365.145673 365.1443456674742 472.1788571164751 232.10974 C9H11Cl2N3 0 560.83 +2287 2954 3M-H+Cl 260889 281.26645779999996 281.26675751798297 854.5909284671676 176.19026319999998 C10H9FN2 1 718.93 +2289 6150 3M-H+Cl 584960 425.36023299999994 425.36137869994485 1013.3225278704497 272.25278 C15H12O5 1 757.32 +2290 10073 3M-H+Cl 236707 700.1965377999998 700.197324979637 1028.4191254809555 455.47698319999984 C28H22FNO4 1 981.08 +2292 10613 3M-H+Cl 559544 763.2172629999999 763.2143802563885 1055.0781114576516 497.4908 C20H35NO13 1 621.36 +2293 10614 3M-H+Cl 559544 763.2172629999999 763.2172775518376 1096.2534359697147 497.4908 C20H35NO13 0 621.36 +2294 8481 3M-H+Cl 662629 554.854423 554.8534523961349 1180.5339681975101 358.58224000000007 C18H26N2O2Si2 1 1048.94 +2302 2618 3M-H+Cl 33072 266.246863 266.247710830689 749.341808832427 166.1772 C8H10N2O2 1 592.39 +2303 6638 3M-H+Cl 490257 447.7056129999999 447.7045197944979 257.4194333884285 287.14969999999994 C12H15BrO3 0 918.77 +2304 4814 3M-H+Cl 513670 362.1457645 362.14430041653287 424.34803133431063 230.109801 C5H11O8P-- 1 238.36 2305 4828 3M-H+Cl 303804 362.3376130000001 362.33927671905184 1016.7975670846678 230.23770000000005 C9H10O5S 1 718.72 +2306 8347 3M-H+Cl 143106 545.2554729999999 545.2574353062303 486.2308389419386 352.18294000000003 C8H6ClHgN 1 313.89 +2307 4045 3M-H+Cl 399146 326.377363 326.37578700796644 832.3728479974054 206.2642 C10H10N2OS 1 713.29 +2308 4046 3M-H+Cl 399146 326.377363 326.37776343556743 825.9927809305009 206.2642 C10H10N2OS 1 713.29 2310 1512 3M-H+Cl 283992 212.12917299999995 212.12824022389609 326.62942344536845 130.09873999999996 C5H6O4-- 0 603.72 +2311 3903 3M-H+Cl 597508 320.22316300000006 320.2218714071933 633.849458934593 202.16140000000001 C8H10O6 1 634.28 +2312 10982 3M-H+Cl 638410 806.497453 806.4961976023066 890.3470890236941 526.34426 C25H34Br2O2 0 929.01 +2314 5170 3M-H+Cl 735418 380.14963299999994 380.14991366336335 698.0089153848897 242.11237999999997 C10H12BrNO 1 687.1 +2317 5714 3M-H+Cl 10767 404.32795300000004 404.32817417430016 1010.148722695161 258.23126 C9H14N4O5 1 62.62 +2318 5480 3M-H+Cl 308196 394.14091300000007 394.142865574746 425.3680179016036 251.43990000000005 C14H25NOSi 1 828.43 +2319 9118 3M-H+Cl 520076 603.4011730000002 603.4030522922349 610.9966935343988 390.94674000000015 C22H31ClN2O2 0 641.56 +2320 5112 3M-H+Cl 108807 376.262053 376.263690284865 875.8454411881 239.52066 C5H4BrClN2S 1 876.7 +2322 9056 3M-H+Cl 282380 598.252003 598.2490247578874 599.3012447829299 387.51396 C26H29NO2 0 761.86 2331 8805 3M-H+Cl 621976 576.2998029999999 576.3009210431712 543.2360945268409 372.87915999999996 C9H9Br3O 0 1108.12 +2332 4591 3M-H+Cl 546950 351.9480730000001 351.94666898839307 1244.7972400048257 223.31134000000003 C13H21NO2 1 375.86 +2336 6150 3M-H+Cl 495732 425.36287300000004 425.36137869994485 1013.3225278704497 272.25454 C11H16N2O6 1 519.18 +2339 11367 3M-H+Cl 291433 853.2638829999996 853.265728059403 1063.845319078962 557.5218799999998 C20H42N2S4Sn 0 977.12 +2340 2618 3M-H+Cl 684783 266.24686299999996 266.247710830689 749.341808832427 166.17719999999997 C8H10N2O2 1 580.66 +2341 9092 3M-H+Cl 685955 601.338103 601.3398132283155 790.7043433687841 389.57136 C24H39NO3 1 751.83 2342 3619 3M-H+Cl 410220 308.2570630000001 308.2579982354824 724.4241116104492 194.18400000000003 C10H10O4 1 672.57 +2344 3619 3M-H+Cl 346025 308.2570630000001 308.2579982354824 724.4241116104492 194.18400000000003 C10H10O4 1 658.69 +2345 9498 3M-H+Cl 605602 634.5378429999998 634.5382165778162 968.1143611298112 411.70451999999995 C26H53NO2 0 1021.41 2349 4180 3M-H+Cl 243884 332.20676740000005 332.20660844672636 476.3954697233234 210.15046960000004 C8H9F3O3 0 693.38 +2352 6654 3M-H+Cl 220799 448.24237299999993 448.2411532522116 575.0009773713936 287.50753999999995 C13H21NS3 1 1375.09 +2353 6111 3M-H+Cl 378473 423.4401460000001 423.43846359913687 1067.70853950741 270.97272200000003 C4H10Cl2O5P2 1 613.39 +2356 8332 3M-H+Cl 609966 544.236253 544.2371655049544 557.4351630370948 351.50346 C19H29NO3S 1 1097.47 2358 7877 3M-H+Cl 287500 515.3658429999999 515.3663981159539 1086.476851637829 332.25651999999997 C13H18BrNO2S 1 992.95 2359 7878 3M-H+Cl 287500 515.3658429999999 515.367959566927 1069.682074625099 332.25651999999997 C13H18BrNO2S 1 992.95 2360 488 M-H+Cl 62660 153.066213 153.06612705111806 197.6396995232637 272.1703 C13H15Cl2NO 0 992.51 2364 150 M-H+Cl 199592 127.08680779999997 127.08672042508167 215.86722034959348 220.21148959999996 C9H7F3OS 1 924.4 2365 817 M-H+Cl 273273 173.13938299999995 173.13978680223823 169.26838922101305 312.3166399999999 C18H16O5 1 829.52 +2366 2162 M-H+Cl 128922 246.04331299999998 246.04275244027343 204.03240952512076 458.12449999999995 C15H10Br2N2O3S 1 1013.2 +2367 2407 M-H+Cl 266235 257.2119729999999 257.21101719388963 868.0214239493002 480.46181999999976 C23H28O11 1 675.2 +2369 1647 M-H+Cl 871932 219.21112300000001 219.21060077221856 789.3038842108524 404.46012 C20H28N4O5 1 549.31 2370 1278 M-H+Cl 851783 199.13283299999995 199.1329288657424 495.95714749094327 364.3035399999999 C17H16O9 0 655.96 +2371 4208 M-H+Cl 599730 333.2642130000001 333.2632711322049 843.2705959154301 632.5663000000002 C23H40N2O18 1 198.11 2372 231 M-H+Cl 686326 134.10422300000002 134.10469249627016 528.1491576440434 234.24632000000003 C10H18O6 1 569.59 2373 2233 M-H+Cl 435206 249.16921299999993 249.1693813437799 454.70083878003703 464.37629999999984 C21H20O12 1 660.88 2375 343 M-H+Cl 622530 143.071223 143.07052014677024 396.77018681785637 252.18032 C10H8N2O6 1 44.76 2377 134 M-H+Cl 675727 125.09658300000001 125.09630952542857 448.54305247390425 216.23104000000004 C10H16O5 0 655.68 2378 117 M-H+Cl 677125 124.05064780000001 124.05075744856333 332.46546770496735 214.1391696 C7H9F3O4 0 747.94 +2380 2118 M-H+Cl 50083 243.25075299999992 243.25101951660065 884.2093336230238 452.5393799999998 C27H32O6 1 1184.21 +2383 4165 M-H+Cl 853142 331.247453 331.24792879931636 709.3342468286676 628.53278 C27H32O17 1 599.82 2384 6680 M-H+Cl 423317 449.35933300000005 449.3600769295344 1008.7106579215189 864.7565400000001 C45H36O18 1 1166.55 +2386 185 M-H+Cl 37930 130.15858300000002 130.15911451524767 784.5921373835047 226.35504000000003 C14H26O2 1 1111.1 +2387 594 M-H+Cl 134740 160.12074299999998 160.12031708728205 717.7096333210077 286.27935999999994 C16H14O5 1 834.89 2388 588 M-H+Cl 564971 160.05357300000003 160.05421161286822 160.08569835876682 286.14502000000005 C10H8BrNO2S 0 1077.92 +2390 240 M-H+Cl 508498 135.0629735 135.06351535793428 853.4632915417449 236.163821 C10H9N2O3P 1 476.37 +2393 2698 M-H+Cl 17757 270.07919449999997 270.0793152764245 332.2597518683546 506.19626299999993 C10H17N6O12P3 1 168.43 +2396 548 M-H+Cl 719602 157.097803 157.09745163899063 215.95564596193384 280.23348 C12H12N2O6 1 719.46 +2399 374 M-H+Cl 694100 145.09843350000006 145.09784944556668 879.113492647376 256.2347410000001 C12H17O4P 1 715.42 2401 143 M-H+Cl 224553 126.110243 126.11065458150134 269.34601373209705 218.25835999999998 C10H14N6 1 561.36 +2402 697 M-H+Cl 726177 167.027278 167.0264603501488 195.22382623964302 300.09243 C11H9IO2 1 992.5 +2403 1010 M-H+Cl 260243 183.13266299999998 183.13215341021157 268.7314365755892 332.30319999999995 C14H20O9 1 824.12 +2404 185 M-H+Cl 634619 130.15858300000002 130.15911451524767 784.5921373835047 226.35504000000003 C14H26O2 1 974.9 +2405 463 M-H+Cl 250910 151.14785299999997 151.14825917436787 679.2799332966885 268.3335799999999 C15H12N2OS 0 934.38 +2406 392 M-H+Cl 10767 146.09669300000002 146.09643425020363 388.7798855997183 258.23126 C9H14N4O5 0 62.62 +2407 3619 M-H+Cl 59917 308.2578746 308.2579982354824 724.4241116104492 582.5536232 C28H23FN2O9S 1 963.66 2408 14 M-H+Cl 33263 112.11269299999998 112.11221510600595 388.78591115928367 190.26325999999997 C7H14N2O2S 1 402.89 +2409 611 M-H+Cl 607062 161.132863 161.13270930401683 568.9810797215462 288.30359999999996 C10H20N6O4 1 45.26 +2414 1083 M-H+Cl 121754 187.14443299999988 187.14399205628072 231.7559448169156 340.32673999999975 C19H16O6 1 818.25 +2418 914 M-H+Cl 110608 179.081963 179.081764330857 509.2118740875697 324.2018 C16H15Cl2NO2 1 948.33 +2419 946 M-H+Cl 707190 180.13219300000006 180.13216034930463 325.3482104997047 326.3022600000001 C15H29Cl2NO2 1 1060.62 +2420 1227 M-H+Cl 488897 196.16912350000007 196.16975099046698 791.4462868857229 358.3761210000001 C21H19N4P 1 1131.22 +2421 812 M-H+Cl 8739 173.09962299999995 173.10040548166913 340.49059508238076 312.2371199999999 C14H8N4O5 1 716.36 2422 726 M-H+Cl 5553 168.10221299999995 168.10216305307048 353.79715450253286 302.2422999999999 C13H10N4O5 1 670.1 2427 1669 M-H+Cl 486590 221.06534299999998 221.0663106560801 306.9839573576099 408.16855999999996 C16H24Br2O2 0 1322.75 +2428 566 M-H+Cl 88241 158.12969299999995 158.12901820591867 185.9807710111827 282.2972599999999 C15H14N4O2 1 769.2 +2429 1236 M-H+Cl 403579 197.09801299999998 197.0979067848486 698.4091528399645 360.23389999999995 C19H15Cl2NO2 1 1127.04 +2430 9334 2M+Cl 227007 621.265402 621.2672226958007 551.1399878721527 293.148 C14H10Cl2N2O 0 989.46 +2432 7809 2M+Cl 143444 511.363682 511.36228452009686 709.3778223099757 238.19714 C11H21Cl2N 1 857.55 2434 11011 2M+Cl 188474 808.5872819999997 808.5840259131849 721.6278683003608 386.8089399999999 C18H11ClN2O4S 1 888 2436 6152 2M+Cl 183447 425.366402 425.36491505403 875.7311738962302 195.1985 C7H5N3O2S 1 581.12 +2437 6153 2M+Cl 183447 425.366402 425.36726597838856 880.191236847664 195.1985 C7H5N3O2S 1 581.12 +2447 4927 2M+Cl 480318 367.323802 367.3241806124694 858.5478785705199 166.1772 C8H10N2O2 1 588.67 +2454 6293 2M+Cl 511273 431.328002 431.3258886671701 746.1080052359359 198.1793 C7H10N4O3 1 491.95 +2456 4427 2M+Cl 493450 343.295802 343.29557207264924 759.5925852661552 154.1632 C8H10O3 1 688.6 +2460 11934 2M+Cl 518021 937.5685820000001 937.5713197986955 845.6101380102123 451.29959 C23H18INO 1 1114.68 +2463 4227 2M+Cl 518261 334.20656199999996 334.2049322249123 573.5626804609768 149.61857999999998 C6H12ClNO 1 48.63 +2464 8130 2M+Cl 569582 531.3330612 531.3353643233835 661.0498197442369 248.18182960000001 C8H3F3N2O2S 0 770.03 2469 5794 2M+Cl 860429 409.190002 409.18939525918944 496.2540468806209 187.1103 C5H5N3O5 1 585.93 2470 7685 2M+Cl 53448 504.28296200000005 504.28082177870795 615.5048142370696 234.65678000000003 C8H7ClO4S 1 783.91 2472 7736 2M+Cl 203915 507.25878120000004 507.2586042374343 496.4023459289033 236.14468960000002 C9H7F3O4 0 818.01 +2476 6719 2M+Cl 625541 451.304442 451.3041731513527 908.8179342917624 208.16752 C10H8O5 1 659.59 +2479 6154 2M+Cl 282786 425.44592200000005 425.4461536636448 965.35062230882 195.23826000000003 C9H9NO2S 0 780.52 +2484 10434 2M+Cl 106523 741.3728419999998 741.3710414575462 687.1596860965474 353.2017199999999 C12H18Cl2N4O4 0 726.51 +2485 11337 2M+Cl 70720 850.430122 850.4265578416951 734.496450281128 407.73035999999996 C16H24BrClN2O3 1 677.65 2486 7738 2M+Cl 508498 507.297044 507.29846548719445 668.3434478118494 236.163821 C10H9N2O3P 1 476.37 +2488 7408 2M+Cl 130995 488.33476199999996 488.3350581005733 861.3872153074399 226.68267999999998 C9H7ClN2OS 1 762.64 +2490 3972 2M+Cl 202055 323.2068948 323.20687348949275 532.2299876768695 144.1187464 C7H6F2O 1 783.6 +2491 4802 2M+Cl 123964 361.236402 361.2363442842174 725.4677815184534 163.1335 C7H5N3O2 1 556.91 +2492 4337 2M+Cl 361759 339.264042 339.2646049639644 465.0486269870482 152.14732 C8H8O3 1 671.77 +2493 10746 2M+Cl 992 778.0516819999998 778.0522048548588 988.2252537258569 371.5411399999999 C15H21N3O2S3 0 655.36 +2496 9305 2M+Cl 120983 618.3490019999999 618.3476230234758 658.4164061016168 291.68979999999993 C13H10ClN3O3 1 839.86 +2498 6580 2M+Cl 669589 445.3462484 445.3453877436503 971.8873991275613 205.1884232 C10H8FN3O 1 651.86 +2503 7522 2M+Cl 655460 494.342642 494.34157914504345 961.1269778379924 229.68662 C8H8ClN3OS 1 685.43 2508 3054 2M+Cl 43249 285.21996199999995 285.221177869832 637.6799105732521 125.12527999999998 C6H7NO2 1 635.24 2509 12156 2M+Cl 622462 974.2405019999999 974.2434901665049 1017.2220133521915 469.6355499999999 C24H32NNaO3S2 1 962.65 +2510 4927 2M+Cl 33072 367.323802 367.3241806124694 858.5478785705199 166.1772 C8H10N2O2 1 592.39 +2512 5688 2M+Cl 702326 403.2420612 403.2415611372804 372.2846814385815 184.1363296 C5H3F3O2S 1 833.91 +2513 4354 2M+Cl 430328 340.21092200000004 340.211315401487 568.3166369794908 152.62076000000002 C9H9Cl 1 988.89 +2514 7384 2M+Cl 42856 487.169874 487.16998310045983 438.6277121165293 226.100236 C8H3F5O2 0 958.44 +2515 7385 2M+Cl 42856 487.169874 487.1714279592841 402.88300964124807 226.100236 C8H3F5O2 0 958.44 +2516 9504 2M+Cl 726177 635.154262 635.1520100910689 317.19018135973266 300.09243 C11H9IO2 1 992.5 2518 7129 2M+Cl 553896 472.32708199999996 472.3256025140444 640.9731300454127 218.67883999999998 C13H11ClO 1 1000.01 2519 11686 2M+Cl 136624 904.156882 904.1594031902762 1026.3692551892461 434.59373999999997 C17H26N2O5S3 0 805.52 2520 8429 2M+Cl 10767 551.431922 551.4345157289447 958.5935672937314 258.23126 C9H14N4O5 1 62.62 +2526 5133 2M+Cl 738588 377.27072200000003 377.2723786377847 497.29036056638284 171.15066000000002 C7H9NO4 1 532.01 2532 6657 2M+Cl 252677 448.30260200000004 448.3048324969375 601.9888600986873 206.66660000000002 C9H15ClO3 1 871.11 +2534 2785 2M+Cl 441664 273.217402 273.2172363491564 497.7078400614246 119.124 C6H5N3 1 462.4 2535 3541 2M+Cl 439935 305.21620199999995 305.21513803666653 426.6192849994471 135.12339999999998 C6H5N3O 1 322.63 +2536 6883 2M+Cl 237947 458.34532199999995 458.3470306224045 831.5319517106446 211.68795999999998 C11H14ClNO 1 773.08 +2538 12205 2M+Cl 671742 983.2601219999999 983.2583883466771 1082.9359955923642 474.14536 C20H14Br2N2O2 1 1113.37 +2540 5450 2M+Cl 317683 392.2824020000001 392.2805026895923 761.5373614477919 178.65650000000005 C8H15ClO2 1 956.34 +2541 5771 2M+Cl 476727 408.1379348 408.13956121193286 252.80855443684092 186.5842664 C6H9ClF2O2 1 860.75 +2542 7186 2M+Cl 309924 475.41196199999996 475.4138037890942 1136.9142525012978 220.22127999999998 C12H12O4 1 669.73 +2543 4339 2M+Cl 31062 339.27064199999995 339.27033420144403 744.2973926365282 152.15061999999998 C7H8N2O2 1 308.82 +2544 8098 2M+Cl 578120 529.4130084 529.4127529776995 832.9497355840994 247.22180319999998 C13H10FNO3 1 708.11 +2547 8948 2M+Cl 664627 587.8863220000001 587.8864779179844 862.9038752697468 276.45846000000006 C13H24O2S2 0 1097.7 2548 7910 2M+Cl 421819 517.240884 517.2397616717283 739.6321744595932 241.135741 C6H12NO7P 0 107.38 2549 7911 2M+Cl 421819 517.240884 517.2413417801608 726.8400546096259 241.135741 C6H12NO7P 1 107.38 +2551 4116 2M+Cl 437704 329.231002 329.2322398821877 640.3470305274884 147.1308 C8H5NO2 1 690.78 2556 4619 2M+Cl 657003 353.21512399999995 353.2141573277677 609.8496599919002 159.12286099999997 C6H10NO2P 1 665.09 2560 6579 2M+Cl 245012 445.31636199999997 445.3151162867664 676.5472981849581 205.17347999999998 C8H7N5O2 1 555.39 +2561 4925 2M+Cl 9760 367.27992399999994 367.2811999617223 938.3824146020279 166.15526099999997 C6H15O3P 1 764.9 2562 8679 2M+Cl 579545 568.2738484000001 568.2710643871641 246.6519757077258 266.65222320000004 C13H8ClFO3 0 851.56 2565 8101 2M+Cl 100077 529.462642 529.4617967983802 1094.0533168430213 247.24661999999998 C13H13NO4 1 661.54 2566 5237 2M+Cl 265791 383.278602 383.2772322113254 679.7256417167679 174.1546 C6H10N2O4 1 123.26 2567 4927 2M+Cl 684783 367.32380199999994 367.3241806124694 858.5478785705199 166.17719999999997 C8H10N2O2 1 580.66 +2568 6535 2M+Cl 203918 443.26118119999995 443.2629982081322 716.7035564307962 204.14588959999998 C9H7F3O2 1 761.98 +2569 10935 2M+Cl 31037 800.6713219999999 800.669970584428 1172.937453915286 382.85096 C14H14Hg 1 761.21 +2571 8487 2M+Cl 289581 555.2409640000001 555.240261010023 423.4883017352232 260.135781 C6H13O9P 1 243.93 +2572 4768 2M+Cl 554038 360.11136200000004 360.1107427922148 378.3920324439343 162.57098000000002 C6H7ClO3 1 658.58 +2573 7117 2M+Cl 94000 471.386802 471.3861878713156 786.9526426649563 218.2087 C11H10N2O3 1 623.46 2575 3933 2M+Cl 426176 321.260202 321.2590045401033 782.4866390421078 143.1454 C8H5N3 1 500.92 +2576 7981 2M+Cl 398529 521.1412620000001 521.1402346898956 1020.3704120447435 243.08593000000002 C6H14INO 0 633.28 +2577 7397 2M+Cl 26536 487.331922 487.3301891135973 870.1321920489241 226.18126 C7H14O8 1 262.81 2579 8100 2M+Cl 425599 529.4626420000001 529.4601598463362 1157.970747479603 247.24662000000004 C13H13NO4 1 789.9 +2582 9279 2M+Cl 739189 616.4590019999998 616.4619299221972 815.3410902820983 290.7447999999999 C15H15ClN2O2 1 1016.59 2583 6230 2M+Cl 83656 429.162722 429.1609605279423 319.2040505427393 197.09665999999999 C4H9BrN2S 1 108.8 +2585 4927 2M+Cl 483529 367.323802 367.3241806124694 858.5478785705199 166.1772 C8H10N2O2 1 579.21 +2587 2829 2M+Cl 106412 275.22032839999997 275.221331495178 677.0706025974843 120.1254632 C4H9FN2O 1 456.94 2590 9231 2M+Cl 40326 613.4126040000001 613.4129639259115 763.1443777409028 289.2216010000001 C11H16NO6P 1 808.82 +2591 4116 2M+Cl 251673 329.231002 329.2322398821877 640.3470305274884 147.1308 C8H5NO2 1 633.94 2592 5238 2M+Cl 81566 383.2953411999999 383.2936792046767 799.6658109565352 174.16296959999994 C9H9F3 1 953.7 +2594 7583 2M+Cl 724048 497.314522 497.3150462664465 776.7430312016247 231.17256 C11H19Br 0 1261.79 +2595 5794 2M+Cl 550258 409.190682 409.18939525918944 496.2540468806209 187.11064 C6H16Cl2N2 1 126.27 2602 11578 3M+Cl 418708 884.4524019999999 884.4546949575214 813.1279172358244 283.16099999999994 C13H15BrO2 1 1235.38 +2604 8656 3M+Cl 592652 566.2117708000001 566.2116159975956 1012.2060710160904 177.0807896 C6H2F3NO2 1 665.21 2608 11521 3M+Cl 55802 876.1911820000003 876.1901056863936 1023.3361290467155 280.40726000000006 C19H24N2 1 664.13 2609 11168 3M+Cl 237263 830.8889020000001 830.8888928492145 396.4102547272398 265.3065 C17H15NO2 1 873.61 +2610 10381 3M+Cl 61891 735.1462420000003 735.1451158485477 971.08634755814 233.3922800000001 C16H27N 0 1011.61 +2611 8116 3M+Cl 41343 530.4623715999999 530.4637318904341 1117.6679571465168 165.16432319999998 C9H8FNO 1 613.77 +2612 11830 3M+Cl 253840 923.7921915999998 923.7948585910698 793.8958313723133 296.27426319999995 C12H9FN2O4S 0 759.86 2615 9677 3M+Cl 304962 653.3354308 653.3339863275829 674.3472039582696 206.12200959999998 C7H5F3N2O2 1 607.99 +2616 9678 3M+Cl 304962 653.3354308 653.3362151021042 664.6046361697595 206.12200959999998 C7H5F3N2O2 1 607.99 +2617 10322 3M+Cl 569774 728.8128080019999 728.8097842659605 267.25017752640326 231.28113533399997 C13H14D3NaO2 1 932.66 +2618 3238 3M+Cl 671896 293.11784199999994 293.11689668549434 329.1181116762668 86.04947999999999 C2H2N2O2 1 320.23 +2620 12539 3M+Cl 129610 1044.172882 1044.1707923036088 989.1915364668794 336.40116 C14H24O7S 0 802.02 +2622 9101 3M+Cl 203625 602.2986003999999 602.298694632502 542.8720286522109 189.1097328 C8H3F4N 0 828.35 +2623 9102 3M+Cl 203625 602.2986003999999 602.30067791115 540.1990741649189 189.1097328 C8H3F4N 0 828.35 +2624 12754 3M+Cl 668003 1080.532342 1080.5270084789313 806.1421195813085 348.52098 C25H32O 1 911.06 +2628 10263 3M+Cl 703601 722.8574020000001 722.8558565546002 365.69076799434 229.29600000000002 C10H15NO3S 1 694.45 +2631 11059 3M+Cl 94717 815.189842 815.1899252947438 953.5818820905567 260.07348 C10H7Cl2NO3 0 788.81 +2635 9930 3M+Cl 728317 683.4892804000001 683.4887532843253 1080.7628103442175 216.1732928 C8H12F4O2 1 774.47 2643 6681 3M+Cl 724288 449.71916200000004 449.7207512377166 206.4114609379652 138.24992 C10H18 1 918.71 +2644 5825 3M+Cl 43249 410.3452419999999 410.34700248992414 863.3197684914016 125.12527999999998 C6H7NO2 1 635.24 +2647 11201 3M+Cl 564528 835.134982 835.137856449785 1010.0412121450133 266.72186000000005 C10H19ClN2O4 1 576.57 +2649 8775 3M+Cl 327335 573.7785220000001 573.7788152535813 339.268637292153 179.60304000000002 C9H6ClNO 1 819.77 +2652 11896 3M+Cl 702676 933.191302 933.1949936249788 1003.9043437315995 299.4073 C19H25NO2 1 1263.3 2654 9574 3M+Cl 597508 641.453602 641.4536306677194 1037.9565738141741 202.16140000000001 C8H10O6 1 634.28 +2660 11119 3M+Cl 314255 824.3688219999999 824.36790960873 339.94110541156385 263.13313999999997 C12H11BrN2 0 733.5 2661 12168 3M+Cl 281538 976.8030699999999 976.8031255453698 423.6355174449496 313.944556 C3H7NO6P2Tc 0 88.23 +2662 10978 3M+Cl 579476 806.2327516 806.23501066553 1215.8416017582683 257.0877832 C12H7Cl2FO 1 973.33 +2663 12602 3M+Cl 663916 1054.2917619999998 1054.2953525351954 1218.5709205702874 339.7741199999999 C15H18ClN3O4 0 725.7 +2672 10731 3M+Cl 333692 776.2368220000001 776.2352209759548 1094.382611652341 247.08914000000001 C8H11BrN2O2 0 731.86 +2673 9680 3M+Cl 499499 653.8118620000002 653.8095002291368 301.48698039770966 206.28082000000006 C13H18O2 1 832.62 2675 10660 3M+Cl 523830 767.7278307999998 767.7243655429945 1184.828990332584 244.25280959999995 C13H15F3O 0 996.91 2676 10661 3M+Cl 523830 767.7278307999998 767.7272080198427 1188.2503508152554 244.25280959999995 C13H15F3O 0 996.91 2677 10379 3M+Cl 671356 734.569882 734.5677079260879 1104.3487752988754 233.20016 C11H9N2O4- 1 640.32 +2690 5132 3M+Cl 366209 377.26742199999995 377.2672894197799 782.9813765798153 114.09933999999998 C5H6O3 1 555.93 +2691 11968 3M+Cl 366381 941.9493819999998 941.9510507935017 383.5203481566239 302.32665999999995 C19H14N2O2 1 902.3 +2692 11521 3M+Cl 178260 876.1911820000005 876.1901056863936 1023.3361290467155 280.4072600000002 C19H24N2 1 493.7 +2693 9804 3M+Cl 123928 668.2558108000001 668.2537197343205 709.6715573763156 211.0954696 C6H4F3NO4 1 603.81 +2694 11314 3M+Cl 537740 848.277562 848.2774602159467 216.001995596256 271.10272 C10H8Cl2N4O 1 821.3 +2695 9680 3M+Cl 425731 653.811862 653.8095002291368 301.48698039770966 206.28082 C13H18O2 1 877.14 +2696 4231 M+Cl 572860 334.2361916 334.23690818184235 633.0788046302234 299.2667896 C10H12F3NO4S 1 990 2697 3590 M+Cl 62660 307.139702 307.1399541122671 406.1877152739325 272.1703 C13H15Cl2NO 1 992.51 2699 1843 M+Cl 684338 229.194922 229.19487346943342 677.1612645020398 194.22552 C8H18O5 1 656.64 +2702 3053 M+Cl 705243 285.216662 285.21701603669453 363.15114213642204 250.24725999999998 C13H14O5 1 764.56 2703 9427 M+Cl 136481 629.7174620000001 629.7204909705256 385.5023356020627 594.7480600000001 C29H34N6O4S2 1 764.89 +2705 2154 M+Cl 487946 245.157642 245.15731614907358 300.33450861011215 210.18824 C12H6N2O2 1 752.75 +2707 572 M+Cl 372761 159.048223 159.04771220526766 220.23888516902966 124.07882099999999 C2H9N2O2P 1 399.38 +2708 1227 M+Cl 371666 196.16984200000002 196.16975099046698 791.4462868857229 161.20044000000001 C10H11NO 1 663.3 2711 2500 M+Cl 436149 262.110202 262.11104106690283 375.41187918424464 227.1408 C11H15Br 1 1052.78 +2712 2030 M+Cl 256975 239.14822200000003 239.14899706893348 1129.6771668180852 204.17882000000003 C11H8O4 1 719.47 +2714 3621 M+Cl 82895 308.279742 308.27942630053616 825.9409864954948 273.31034 C13H11N3O2S 1 686.69 +2715 2765 M+Cl 339800 272.22120200000006 272.22200967372004 656.4498058884597 237.25180000000003 C12H15NO4 1 773.42 2719 552 M+Cl 320607 157.133802 157.1336508387448 258.9384777689443 122.1644 C8H10O 1 704.85 +2721 2407 M+Cl 184055 257.211402 257.21101719388963 868.0214239493002 222.242 C14H10N2O 1 874.23 +2722 5766 M+Cl 66102 407.25188199999985 407.2514232307374 638.4425891856029 372.28247999999985 C18H12O9 1 752.98 2726 795 M+Cl 116998 172.105382 172.1050958885839 465.40387969921795 137.13598 C7H7NO2 1 245.93 2727 5802 M+Cl 122516 409.3123619999998 409.31160034550567 934.4700730312397 374.3429599999998 C22H14O6 1 808.34 +2728 5803 M+Cl 122516 409.3123619999998 409.3138203646163 641.713026625175 374.3429599999998 C22H14O6 1 808.34 +2729 7491 M+Cl 128922 493.09390199999996 493.0932386602317 252.18105869091912 458.12449999999995 C15H10Br2N2O3S 1 1013.2 2730 7492 M+Cl 128922 493.09390199999996 493.09617767940085 466.8532840052393 458.12449999999995 C15H10Br2N2O3S 1 1013.2 +2731 3349 M+Cl 579933 298.18403159999997 298.1838250528029 549.0367250896786 263.21462959999997 C14H8F3NO 1 871.37 2734 6194 M+Cl 540476 427.2882219999999 427.28669398597697 589.4080090916102 392.3188199999999 C21H23Cl2NO2 1 1223.41 +2736 386 M+Cl 620894 146.06810199999998 146.06816089581895 515.8818710301963 111.09869999999998 C5H5NO2 1 243.7 +2737 1227 M+Cl 625257 196.169842 196.16975099046698 791.4462868857229 161.20044 C10H11NO 1 720.89 +2740 2854 M+Cl 5602 276.22968519999995 276.22972731666 873.467584382001 241.26028319999992 C15H12FNO 1 809.27 +2741 7372 M+Cl 518021 486.268992 486.2694107092694 658.2075184764219 451.29959 C23H18INO 1 1114.68 +2742 7373 M+Cl 518021 486.268992 486.2708511865676 727.6323901984337 451.29959 C23H18INO 1 1114.68 +2751 3097 M+Cl 622530 287.149722 287.14896583985995 456.709984404163 252.18032 C10H8N2O6 1 44.76 +2753 4826 M+Cl 627507 362.30398199999996 362.3025683619993 918.114585939267 327.33457999999996 C17H17N3O4 1 722.85 +2754 6455 M+Cl 490653 439.9442620000001 439.9455717742326 1225.7852529458005 404.9748600000001 C26H29ClN2 1 892.58 +2755 2717 M+Cl 402542 270.205322 270.20629910091134 685.1849887433715 235.23592 C12H13NO4 1 652.19 +2756 11676 M+Cl 599522 901.952162 901.9489577868338 788.5316223272157 866.9827600000001 C40H54N10O10S 1 654.23 +2757 5825 M+Cl 231390 410.3452419999999 410.34700248992414 863.3197684914016 375.3758399999999 C18H21N3O6 1 723.81 +2758 4938 M+Cl 97481 368.19062199999996 368.1912007016407 466.02032468235683 333.22121999999996 C20H13Br 1 1098.8 +2759 2284 M+Cl 675727 251.20044200000004 251.20058981473622 684.8593469591915 216.23104000000004 C10H16O5 1 655.68 2760 3960 M+Cl 196682 323.11266119999993 323.1125462935209 505.48916456325145 288.14325919999993 C10H6F6O3 1 844.76 +2761 3175 M+Cl 702569 290.21986200000003 290.2195867145069 608.0827370276083 255.25046 C9H9N3O4S 1 676.05 2765 4564 M+Cl 77010 350.2899819999999 350.28970615162694 850.5501418297242 315.3205799999999 C17H17NO5 1 898.76 2766 2938 M+Cl 303373 281.10242200000005 281.1024637250235 593.5564323376623 246.13302000000004 C11H13Cl2NO 1 885.08 +2767 3023 M+Cl 641278 284.2070852 284.2078399324023 178.20188381016538 249.2376832 C13H12FNO3 1 1000.54 +2768 2838 M+Cl 660217 276.124122 276.122976310212 513.1450864739102 241.15472 C10H18Cl2O2 1 1139.89 +2769 1628 M+Cl 29662 218.17536199999998 218.17528497714633 400.3378009652784 183.20595999999998 C12H9NO 1 743.2 +2770 3202 M+Cl 353252 291.22938199999993 291.2288385259804 672.6314617587889 256.2599799999999 C13H12N4O2 1 638.89 +2773 1844 M+Cl 84739 229.199762 229.1991277782452 658.5641883939459 194.23036 C10H14N2O2 1 685.03 2774 4826 M+Cl 405197 362.30398199999985 362.3025683619993 918.114585939267 327.33457999999985 C17H17N3O4 1 623.11 +2775 1264 M+Cl 170630 198.185722 198.1854923493127 861.2370251735308 163.21632 C10H13NO 1 470.09 2777 2303 M+Cl 526615 252.233102 252.2322390411483 751.383912471611 217.2637 C13H15NO2 1 804.58 +2778 2689 M+Cl 729951 269.2254019999999 269.2266498828559 668.1113562776329 234.25599999999994 C14H10N4 1 769.96 +2782 4275 M+Cl 715070 336.2816452 336.28260925136493 812.3277151193947 301.3122432 C17H16FNO3 1 936.88 +2788 2690 M+Cl 738158 269.24700199999995 269.24737046956244 1016.4474057404693 234.27759999999998 C10H10N4OS 1 627.31 +2789 1264 M+Cl 13198 198.185722 198.1854923493127 861.2370251735308 163.21632 C10H13NO 1 690.12 2790 5803 M+Cl 733058 409.31446200000005 409.3138203646163 641.713026625175 374.34506000000005 C19H29Cl2NO2 1 901.37 2791 3815 M+Cl 291606 316.285202 316.2845101850979 705.8230779767275 281.3158 C14H15N7 1 584.34 +2792 1079 M+Cl 361759 187.116722 187.11602674497595 361.55614201520063 152.14732 C8H8O3 1 671.77 +2793 3410 M+Cl 113085 300.27436199999994 300.27318782742066 525.7214860069668 265.30495999999994 C14H19NO4 1 181.98 +2796 5465 M+Cl 861953 393.2253019999999 393.2247120467995 602.3688830006151 358.2558999999999 C17H10O9 1 647.21 +2797 5466 M+Cl 861953 393.2253019999999 393.22680439834755 554.3573434643326 358.2558999999999 C17H10O9 1 647.21 2798 11936 M+Cl 258375 937.9743620000004 937.9720972300846 782.3665409217339 903.0049600000004 C46H54N4O13S 1 999.63 +2799 3816 M+Cl 235758 316.321802 316.3204938582155 810.2639712139228 281.3524 C8H15N3O4S2 1 499.69 2800 3876 M+Cl 274612 319.18982199999994 319.1904790739813 676.7311183850214 284.22041999999993 C15H8O6 1 784.78 +2803 3816 M+Cl 235761 316.3216619999999 316.3204938582155 810.2639712139228 281.3522599999999 C17H19N3O 1 726.73 +2804 8455 M+Cl 16950 553.2259919999999 553.2286571952426 658.5059056543254 518.25659 C7H2ClI3O 1 1167.83 +2805 5251 M+Cl 220366 384.207102 384.2088091817226 733.9619518238437 349.2377 C15H10Cl2N4S 1 1001.01 +2806 1450 M+Cl 94204 208.180542 208.1809244509201 198.3446236398889 173.21114 C11H11NO 1 831.31 +2808 974 M+Cl 102037 181.158502 181.15868140606224 949.3716267270293 146.1891 C9H10N2 1 660.9 2812 1769 M+Cl 411175 226.15400300000002 226.15497478069216 207.78252495728717 191.18460100000001 C8H16O3P+ 1 625.69 +2814 3315 M+Cl 606103 296.34696520000006 296.3455260778999 782.915998518195 261.37756320000005 C17H24FN 1 828.82 +2815 2758 M+Cl 269929 272.15950300000003 272.1591362473224 294.60328734110294 237.19010100000003 C8H16NO5P 1 689.99 +2816 4297 M+Cl 291339 337.2117019999999 337.2119247291561 543.9569999623035 302.2422999999999 C13H10N4O5 1 731.72 +2822 1846 M+Cl 411127 229.222902 229.2222710070985 780.4946005881062 194.2535 C9H10N2OS 1 680.28 +2823 2344 M+Cl 928 254.24898199999998 254.24781484398915 849.1804377762122 219.27957999999998 C13H17NO2 1 703.98 2825 4339 M+Cl 51265 339.27064199999995 339.27033420144403 744.2973926365282 304.30123999999995 C14H16N4O4 1 641.96 2828 1016 M+Cl 373981 184.054383 184.05470148601825 214.9575569064709 149.084981 C4H8NO3P 1 588.75 +2829 4276 M+Cl 182415 336.28984199999996 336.2881986550919 813.5795390339762 301.32043999999996 C14H11N3O3S 1 805.5 +2830 1373 M+Cl 126699 204.104182 204.10509667241126 443.72039886122485 169.13478 C7H7NO4 1 661.04 +2832 9296 M+Cl 59917 617.5230251999999 617.5210509572772 814.839291371708 582.5536232 C28H23FN2O9S 1 963.66 +2837 3093 M+Cl 552590 287.12362119999995 287.12346801182593 313.08192622024154 252.15421919999994 C8H10F6O2 1 858.04 +2845 4007 M+Cl 316958 325.11346199999997 325.1142906093168 451.00252511932416 290.14405999999997 C15H9Cl2NO 1 1280.36 +2848 4200 M+Cl 586826 333.1834715999999 333.18348209577664 516.0326924195883 298.2140695999999 C14H9F3O4 1 844.28 +2849 1779 M+Cl 395178 227.0583148 227.05719615444988 334.35618408493985 192.0889128 C3F4O3S 1 761.21 +2851 5548 M+Cl 190233 396.257562 396.2587525675736 616.7692828646195 361.28816 C18H14Cl2N2S 1 1356.25 2852 3420 M+Cl 138184 301.092062 301.0931798426316 354.4660221848382 266.12266 C13H9Cl2NO 1 949.53 2853 759 M+Cl 439935 170.09280199999998 170.09249888256636 190.63082855851957 135.12339999999998 C6H5N3O 1 322.63 +2858 7761 M+Cl 671742 509.114762 509.1141054333561 916.45077815033 474.14536 C20H14Br2N2O2 1 1113.37 2859 2494 M+Cl 255812 261.2431619999999 261.2422470086756 843.6026968250779 226.27375999999992 C14H14N2O 1 104.3 +2860 3697 M+Cl 207268 311.25724199999996 311.25743707793674 833.7509670387019 276.28783999999996 C14H16N2O4 1 678.26 +2865 2254 M+Cl 513018 250.17416200000002 250.1737350575201 595.3202840471147 215.20476000000002 C12H9NO3 1 503.93 +2866 5620 M+Cl 255447 400.2625419999998 400.2634987633247 901.4580813493646 365.2931399999998 C19H11NO7 1 701.36 +2867 991 M+Cl 437704 182.100202 182.10071509843456 294.7234217304998 147.1308 C8H5NO2 1 690.78 2868 3838 M+Cl 728772 317.21546199999995 317.2149908985539 396.162341516285 282.24605999999994 C13H14O7 1 729.78 +2870 1390 M+Cl 207056 205.10718520000003 205.10667080069956 531.3664101983484 170.13778320000003 C8H7FO3 1 682.6 +2871 1746 M+Cl 488364 225.1317716 225.13153224851038 447.4704024128247 190.1623696 C9H9F3O 1 878.38 +2873 4165 M+Cl 423989 331.2468819999999 331.24792879931636 709.3342468286676 296.2774799999999 C16H12N2O4 1 816.94 +2874 2494 M+Cl 371848 261.242823 261.2422470086756 843.6026968250779 226.27342099999998 C8H19O3PS 1 742.9 +2875 4750 M+Cl 110608 359.171202 359.1694936811096 484.89479370293583 324.2018 C16H15Cl2NO2 1 948.33 +2876 2657 M+Cl 671356 268.16956200000004 268.16928237124216 770.0627991668528 233.20016 C11H9N2O4- 1 640.32 +2877 7842 M+Cl 851629 513.3722819999998 513.3704801907547 1081.3945012780514 478.40287999999987 C22H22O12 1 653.45 2878 5802 M+Cl 632220 409.3123619999999 409.31160034550567 934.4700730312397 374.3429599999999 C22H14O6 1 848.61 2879 5803 M+Cl 632220 409.3123619999999 409.3138203646163 641.713026625175 374.3429599999999 C22H14O6 1 848.61 +2880 1191 M+Cl 657003 194.09226299999997 194.09256947315592 237.28714314488573 159.12286099999997 C6H10NO2P 1 665.09 +2881 2840 M+Cl 588670 276.13391160000003 276.13410824675555 341.3985349389908 241.16450960000003 C8H10F3NO4 1 604.55 2883 8059 M+Cl 290512 526.7419620000002 526.7437729053007 254.44726941959576 491.77256000000017 C28H49N3O2S 1 831.87 2884 2050 M+Cl 245012 240.142882 240.14264959256897 361.82850805910493 205.17347999999998 C8H7N5O2 1 555.39 +2885 1496 M+Cl 688828 211.14472199999997 211.14410013266047 353.1862009792916 176.17531999999997 C8H8N4O 1 324.3 +2886 4806 M+Cl 707190 361.2716620000001 361.2729503388857 696.0433513500151 326.3022600000001 C15H29Cl2NO2 1 1060.62 2887 5577 M+Cl 641807 398.16221159999986 398.16027658384223 175.86783450269127 363.19280959999986 C14H10BrF3OS 1 1295.91 2889 2452 M+Cl 414489 259.245582 259.2458359988433 828.6738811215604 224.27618000000004 C11H12O3S 1 742.3 2890 4402 M+Cl 672901 342.2379220000001 342.2382411000951 337.22926911404693 307.2685200000001 C17H23Br 1 1200.78 2891 2002 M+Cl 327377 237.22176199999998 237.22123727630404 988.1005305587826 202.25235999999998 C12H14N2O 1 660.51 +2892 4566 M+Cl 230113 350.3411820000001 350.3413237560643 980.7785562709621 315.3717800000001 C19H17N5 1 898.73 2897 2905 M+Cl 606603 279.19674299999997 279.19534784508363 594.3780039547695 244.227341 C10H17N2O3P 1 658.46 +2898 637 M+Cl 383528 163.095322 163.09493698029445 426.28352659260463 128.12592 C6H8O3 1 573.1 +2899 4375 M+Cl 704454 341.179062 341.179220546754 406.0466837850347 306.20966 C15H9Cl2NS 1 1280.76 +2900 7261 M+Cl 864995 480.20568399999996 480.2055634853536 405.85803452476364 445.23628199999996 C11H19N4O11P2- 1 621.59 +2901 2494 M+Cl 430338 261.243162 261.2422470086756 843.6026968250779 226.27376 C14H14N2O 1 642.5 +2902 2740 M+Cl 197725 271.19008199999996 271.1903058650231 577.7546485876678 236.22068 C12H12O5 1 783.35 +2903 4257 M+Cl 301793 335.23228199999994 335.23294308372283 560.1486931351767 300.26287999999994 C16H12O6 1 813.01 +2905 6932 M+Cl 476289 462.16904200000016 462.16834302113017 502.42322152618374 427.19964000000016 C20H36O2Sn 1 604.67 +2906 1702 M+Cl 241495 223.09764840000003 223.0965478067939 528.9519985651451 188.12824640000002 C8H6F2O3 1 724.02 2907 2229 M+Cl 339761 249.124403 249.12338333831366 345.9864784795116 214.155001 C9H11O4P 1 740.58 2912 4831 M+Cl 489950 363.11829200000005 363.11829246048507 448.05623925976863 328.14889000000005 C12H13IN2O 1 678.74 2914 7343 M+Cl 192993 484.236102 484.2382902090017 487.54471448371737 449.2667 C18H15S3Sb 1 712.24 +2919 2098 M+Cl 184407 242.218362 242.219430126077 805.9596429932219 207.24896 C10H9NO2S 1 741.05 2920 1280 M+Cl 699775 199.14902199999997 199.14846626820506 588.7752199280422 164.17961999999997 C5H8O4S 1 586.78 2921 1227 M+Cl 6314 196.16984199999996 196.16975099046698 791.4462868857229 161.20043999999996 C10H11NO 1 605.09 2922 2111 M+Cl 178040 243.15846520000002 243.1591313575853 482.186949051071 208.18906320000002 C10H9FN2O2 1 679.28 +2924 2030 M+Cl 319507 239.14822200000003 239.14899706893348 1129.6771668180852 204.17882000000003 C11H8O4 1 686.1 +2925 3467 M+Cl 221693 302.2917819999999 302.29069036535 568.5990771262291 267.3223799999999 C17H17NO2 1 938.85 +2926 3842 M+Cl 88241 317.2666619999999 317.2681788521737 896.6890672529014 282.2972599999999 C15H14N4O2 1 769.2 +2928 2804 M+Cl 186576 274.22376199999997 274.2246312706707 698.9127708562685 239.25436 C8H9N5O2S 1 601.71 +2929 811 M+Cl 553390 173.09674199999998 173.09631589239072 497.1378495375612 138.12733999999998 C5H6N4O 1 328.21 +2930 6652 M+Cl 661077 448.21802199999985 448.2169574444746 593.47393309837355 413.24861999999985 C19H18Cl2O6 1 880.83 2931 1660 M+Cl 491653 220.15478199999998 220.15451251384206 426.41332609004553 185.18537999999998 C9H7N5 1 768.58 +2934 8867 2M-2H+K 62660 581.289206 581.2918126059299 687.1512944391192 272.1703 C13H15Cl2NO 1 992.51 2936 10713 2M-2H+K 714148 774.2718860000003 774.2713223679632 1132.6210454667 368.66164000000015 C18H36N2O2Si2 0 890.74 +2938 8377 2M-2H+K 641851 547.492446 547.4904895058488 1113.9076540337871 255.27192 C14H13N3O2 1 608.78 +2941 10258 2M-2H+K 210249 722.5012059999999 722.5038834834263 864.9320630246261 342.77629999999994 C18H15ClN2O3 1 803.73 +2944 3826 2M-2H+K 590394 317.1423259999999 317.14145218742544 476.38666082048326 140.09685999999996 C5H4N2O3 1 534.63 +2946 7455 2M-2H+K 436149 491.230206 491.22811492706904 562.8653917526441 227.1408 C11H15Br 1 1052.78 +2948 4761 2M-2H+K 633143 359.26028599999995 359.2617165817278 612.2490751866338 161.15583999999998 C6H11NO4 1 78.47 +2956 10437 2M-2H+K 241704 741.6698459999997 741.6690944119674 268.335238821738 352.3606199999998 C20H18NO5+ 1 742.61 +2958 4467 2M-2H+K 493450 345.27500599999996 345.2747659178281 608.9421837684372 154.1632 C8H10O3 1 688.6 +2959 3491 2M-2H+K 144105 303.28952599999997 303.28935658000466 927.8299914120748 133.17046 C8H9N2+ 1 678.89 +2960 8841 2M-2H+K 100703 579.2492060000001 579.251035828388 402.40352387296684 271.1503 C12H15BrO2 1 1066.69 +2962 11969 2M-2H+K 390521 942.1234460000002 942.1217613177511 1006.8670876504438 452.58742000000007 C21H28N2O5S2 1 1014.85 2963 12267 2M-2H+K 211096 994.9692860000001 994.9714313378761 367.1617242874161 479.01034000000004 C28H31ClN2O3 0 838.25 +2964 4479 2M-2H+K 107174 346.18556599999994 346.185791329022 418.923276596216 154.61847999999998 C3H7ClN2OS 1 517.34 +2965 4118 2M-2H+K 205263 329.2674924 329.2685846526721 899.3016922897094 146.1594432 C7H11FO2 1 798.63 +2968 8994 2M-2H+K 205718 591.761966 591.7635935965966 271.0887020920038 277.40668 C8H7NO2S4 1 776.57 2970 10558 2M-2H+K 185422 758.1240859999998 758.1215333855255 993.4917901087504 360.5877399999999 C13H11BrClNO4 0 1084.03 2971 8099 2M-2H+K 529515 529.4292923999999 529.4274673295146 1121.4993799025142 246.24034319999996 C12H11FN4O 1 618.05 +2972 8160 2M-2H+K 569582 533.3122652000001 533.314739358702 646.5100804065535 248.18182960000001 C8H3F3N2O2S 1 770.03 2973 7492 2M-2H+K 307506 493.097966 493.09617767940085 466.8532840052393 228.07468 C10H7Cl2NO 1 714.07 2974 7526 2M-2H+K 275454 495.0963259999999 495.0946401993036 910.9134285778326 229.07385999999997 C8H9BrN2O 1 630.42 +2976 9224 2M-2H+K 196682 613.2351243999999 613.2336052985188 540.6160336932517 288.14325919999993 C10H6F6O3 1 844.76 +2977 7768 2M-2H+K 203915 509.2379852 509.2374484835343 616.262048808185 236.14468960000002 C9H7F3O4 1 818.01 2979 6151 2M-2H+K 239668 425.362886 425.3625621482428 1017.0141125584921 194.20714 C9H6O3S 1 723.85 2980 6152 2M-2H+K 239668 425.362886 425.36491505403 875.7311738962302 194.20714 C9H6O3S 1 723.85 2981 2529 2M-2H+K 615555 263.13140599999997 263.1311706585003 405.8678781810156 113.0914 C5H5O3- 1 581.44 +2985 4383 2M-2H+K 430703 341.24984599999993 341.2512808858155 649.4784850230042 152.15061999999998 C7H8N2O2 1 261.6 3000 5345 2M-2H+K 533768 388.306606 388.3053278748097 737.273592559434 175.679 C7H10ClNS 1 758.96 3002 4807 2M-2H+K 196340 361.27597239999994 361.27756002999826 596.1675034807561 162.16368319999998 C9H7FN2 1 572.85 +3003 4834 2M-2H+K 556205 363.1431452 363.14212762588687 327.03438903133474 163.0972696 C6H4F3NO 1 702.35 3011 9931 2M-2H+K 210436 683.6337659999998 683.6350501391983 1074.2432071954668 323.3425799999999 C19H17NO4 0 827.77 3012 4381 2M-2H+K 361759 341.243246 341.24306349721724 593.4864114430934 152.14732 C8H8O3 1 671.77 +3015 7036 2M-2H+K 377075 467.320848 467.3187055279981 637.670967777672 215.18612100000001 C9H14NO3P 1 169.49 3016 8616 2M-2H+K 575927 564.301406 564.3000306862214 513.3018861188747 263.6764 C13H10ClNO3 1 761.3 +3017 7865 2M-2H+K 88403 514.3752059999999 514.3740291820923 1046.0514155424073 238.71329999999998 C12H15ClN2O 1 318.31 +3018 4317 2M-2H+K 662919 338.241406 338.24070372338565 605.0017654242844 150.6464 C7H15ClO 1 883.62 +3019 6182 2M-2H+K 595620 427.17723159999997 427.176251564403 204.76137336716184 195.1143128 C7H5F4NO 1 682.18 3020 6183 2M-2H+K 595620 427.17723159999997 427.17885448084496 475.1444505106852 195.1143128 C7H5F4NO 0 682.18 +3029 7590 2M-2H+K 303804 497.4240060000001 497.4237025555583 914.6749128036611 230.23770000000005 C9H10O5S 1 718.72 +3030 4704 2M-2H+K 514410 357.11646799999994 357.11790772108014 430.5984435226348 160.08393099999998 C4H10NaO3P 1 469.14 3032 4398 2M-2H+K 430328 342.190126 342.1908388722182 384.37317608705445 152.62076000000002 C9H9Cl 1 988.89 +3033 11486 2M-2H+K 141980 869.8933260000003 869.8969898959599 265.8291195902639 416.47236000000015 C24H24N4O3 0 687.1 +3038 3747 2M-2H+K 445775 313.32908599999996 313.32928069168133 982.9905934449182 138.19024 C6H6N2S 1 562 +3039 2282 2M-2H+K 598506 251.17520599999995 251.1754108430258 383.57216546955203 107.11329999999998 C5H5N3 1 84.33 3040 5092 2M-2H+K 126699 375.218166 375.2179202528788 589.9567660122898 169.13478 C7H7NO4 1 661.04 3041 6337 2M-2H+K 35795 433.294006 433.29437932132146 517.9208103062924 198.17270000000002 C9H10O5 0 678.14 3042 6338 2M-2H+K 35795 433.294006 433.2955866212144 760.107850790853 198.17270000000002 C9H10O5 0 678.14 3045 5423 2M-2H+K 528236 391.26876599999997 391.26698612553184 727.4939649288356 177.16008 C8H7N3O2 1 483.64 +3046 5424 2M-2H+K 528236 391.26876599999997 391.26802704258057 507.8717766669051 177.16008 C8H7N3O2 1 483.64 +3047 3489 2M-2H+K 631787 303.24976599999997 303.24895886523734 889.8763498671526 133.15058 C7H7N3 1 635.1 +3051 8690 2M-2H+K 138184 569.193926 569.1920100266581 936.2055530342775 266.12266 C13H9Cl2NO 1 949.53 3053 7507 2M-2H+K 387391 493.4417659999999 493.44312365571 1123.9587803378085 228.24657999999997 C13H12N2O2 1 699.78 +3054 3595 2M-2H+K 439935 307.19540599999993 307.1944308110292 498.38884692820716 135.12339999999998 C6H5N3O 1 322.63 3055 10775 2M-2H+K 225490 781.6135660000002 781.6174063081485 1148.618067714799 372.3324800000001 C18H27Cl2N3O 1 598.02 +3056 10910 2M-2H+K 565122 797.1767451999998 797.1791183755219 1013.1457619289845 380.1140695999999 C13H9BrF3NO4 1 965.86 +3059 2826 2M-2H+K 539006 275.18692599999997 275.18691079492805 666.086356176095 119.11915999999998 C4H9NO3 1 65.6 3060 11003 2M-2H+K 399361 807.901846 807.9025843699658 368.4482765769439 385.47661999999997 C21H23NO4S 1 835.3 3061 6987 2M-2H+K 323495 465.153166 465.1531920281474 429.23976339710504 214.10228 C9H12BrN 1 670.35 3062 6760 2M-2H+K 40998 453.3697660000001 453.368406837512 797.0019985529243 208.21058000000005 C11H12O4 1 816.6 +3066 4383 2M-2H+K 31062 341.24984599999993 341.2512808858155 649.4784850230042 152.15061999999998 C7H8N2O2 1 308.82 +3067 5193 2M-2H+K 304907 381.235726 381.2350265082128 792.4214168750502 172.14356 C8H4N4O 1 677.56 3068 10863 2M-2H+K 547721 792.0699260000004 792.0692476443157 801.6648465002306 377.56066000000015 C23H39NO3 0 1078.58 +3071 4163 2M-2H+K 437704 331.21020599999997 331.2111484639127 590.6045036450877 147.1308 C8H5NO2 1 690.78 +3072 12492 2M-2H+K 44003 1033.995086 1033.9994904051368 781.0051043471315 498.52323999999993 C30H26O7 0 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C8H7N3O2 1 466.94 3084 5424 2M-2H+K 46834 391.26876599999997 391.26802704258057 507.8717766669051 177.16008 C8H7N3O2 1 466.94 +3085 6629 2M-2H+K 245012 447.29556599999995 447.29392349225674 650.9265300846107 205.17347999999998 C8H7N5O2 1 555.39 3087 3695 2M-2H+K 291379 311.23376599999995 311.232876572383 589.4172866006769 137.14257999999998 C5H7N5 1 168.58 +3089 7814 2M-2H+K 18544 512.2400459999999 512.240718778339 365.8539197771605 237.64571999999993 C9H8ClN5O 0 636.9 +3090 6574 2M-2H+K 203918 445.24038519999993 445.2407270051862 760.3396612869162 204.14588959999998 C9H7F3O2 1 761.98 3093 7147 2M-2H+K 94000 473.36600599999997 473.3659288964593 721.6382446424619 218.2087 C11H10N2O3 1 623.46 +3096 8882 2M-2H+K 510084 583.2124443999999 583.2129612646513 255.25821121906532 273.1319191999999 C9H5F6NO2 0 862.32 3099 8797 2M-2H+K 701363 575.4893723999999 575.4887363803828 1103.12462212182 269.2703831999999 C16H12FNO2 1 830.38 +3102 8368 2M-2H+K 537351 547.2570059999999 547.258491912834 368.6617150753251 255.15419999999997 C11H15BrN2 1 811.63 3103 9256 2M-2H+K 40326 615.3918080000002 615.3932372826021 849.7705345151595 289.2216010000001 C11H16NO6P 1 808.82 3105 6062 2M-2H+K 553532 421.255126 421.2569311819311 665.4026066468352 192.15326000000002 C3H4N4O4S 1 565.91 3109 10519 3M-2H+K 548977 753.672306 753.6706621265976 282.0070683154914 238.90789999999998 C5H5Br2N 1 446.96 +3110 5057 3M-2H+K 393910 373.3232556 373.32265403802927 959.746894800155 112.1248832 C6H7FN+ 1 431.58 3111 10822 3M-2H+K 705243 787.690386 787.6872564290604 1067.684288713149 250.24725999999998 C13H14O5 1 764.56 +3112 8374 3M-2H+K 381567 547.38510900000006 547.3839496486563 1126.3493163393691 170.145501 C8H11O2P 1 652.04 +3113 11408 3M-2H+K 727324 860.1001920000001 860.1028330943234 819.23306205131 274.383862 C3H6Cl3O4P2+ 0 739.33 +3114 8511 3M-2H+K 628005 556.3540548000001 556.3550287057288 763.3725199514222 173.1351496 C8H6F3N 1 705.06 +3120 10571 3M-2H+K 325123 760.1179356 760.1198653283018 990.9698962028825 241.0564432 C10H6BrFO 0 858.87 +3121 12645 3M-2H+K 545610 1061.290446 1061.2894538604799 1219.4544187673205 341.44728 C20H27N3O2 0 726.14 +3125 12786 3M-2H+K 674727 1085.227266 1085.2274970996891 1010.9526258024483 349.42622000000006 C21H23N3O2 0 1046.46 +3128 8300 3M-2H+K 108390 541.398666 541.3996653732031 1098.7841619303395 168.15002 C7H8N2O3 0 547.94 +3129 8301 3M-2H+K 108390 541.398666 541.4013472790828 1093.8754684209907 168.15002 C7H8N2O3 0 547.94 +3130 10725 3M-2H+K 52454 775.8633660000002 775.8638834467962 360.6662852948973 246.30492000000004 C14H18N2O2 1 733.95 3133 10112 3M-2H+K 665728 703.7295060000001 703.7262201450859 1218.9545916290913 222.26030000000003 C11H10O3S 1 797.1 +3134 10502 3M-2H+K 614851 751.6728059999999 751.6728062676764 226.7823226709766 238.24139999999997 C14H10N2O2 0 664.41 +3135 12479 3M-2H+K 133310 1031.1814260000003 1031.176558433864 810.4888127045888 331.4109400000001 C21H21N3O 0 712.4 +3136 11969 3M-2H+K 359175 942.1217459999997 942.1217613177511 1006.8670876504438 301.7243799999999 C16H12ClNO3 1 1110.01 +3137 12060 3M-2H+K 593839 956.5359660000007 956.5342307316754 526.6033097387991 306.5291200000002 C20H38N2 1 512.85 +3138 11653 3M-2H+K 584944 898.6216860000001 898.6213340865107 696.9853082150278 287.22436 C14H9NO6 1 697.98 +3139 7574 3M-2H+K 46744 496.354746 496.3565265467497 970.8790692779444 153.13538 C7H7NO3 1 597.97 +3140 5054 3M-2H+K 262474 373.276869 373.2776095482035 562.5832007895347 112.109421 C6H9P 1 672.71 +3141 11293 3M-2H+K 381968 844.351866 844.3557977005787 261.1102041555631 269.13442 C12H13BrO2 1 878.54 +3149 12341 3M-2H+K 570079 1006.538169 1006.534973221188 737.4525037350971 323.196521 C9H14N3O8P 1 195.8 +3153 11034 3M-2H+K 227626 811.6819355999997 811.6844706966601 451.1628368495209 258.2444431999999 C15H11FO3 0 928.94 +3154 5868 3M-2H+K 43249 412.3244459999999 412.323988550925 1005.9202001602439 125.12527999999998 C6H7NO2 1 635.24 3155 11652 3M-2H+K 490257 898.3977059999999 898.3972609320239 281.3486812558936 287.14969999999994 C12H15BrO3 1 918.77 +3156 6449 3M-2H+K 287460 439.35462599999994 439.354274761588 1008.3087463739985 134.13533999999999 C7H6N2O 1 502.48 3157 7907 3M-2H+K 514410 517.200399 517.2002996896222 358.3478016595135 160.08393099999998 C4H10NaO3P 0 469.14 +3159 10188 3M-2H+K 42856 715.249314 715.2490371526396 1068.246580426296 226.100236 C8H3F5O2 0 958.44 +3160 12623 3M-2H+K 400884 1058.1871859999997 1058.1877954621614 1037.902192864506 340.4128599999999 C21H24O4 0 970.11 +3161 10455 3M-2H+K 580566 745.5909251999999 745.5930116355917 1120.7991537882288 236.21410639999996 C13H10F2O2 0 858.76 +3165 10663 3M-2H+K 618161 768.013506 768.0098940221774 253.40619906979566 243.6883 C14H10ClNO 1 1025.72 +3166 11908 3M-2H+K 735852 934.9121459999998 934.9114749225241 285.67809257492024 299.3211799999999 C17H17NO4 0 718.06 +3167 7575 3M-2H+K 632831 496.3646459999999 496.36395042686996 968.2730504135861 153.13867999999997 C6H7N3O2 1 256.82 +3168 11075 3M-2H+K 353780 817.0732260000001 817.0765149182944 775.4598710649295 260.04154 C8H6BrNO4 0 719.76 +3169 12576 3M-2H+K 343055 1049.264586 1049.2649217994094 1040.3866743346907 337.43866 C19H19N3OS 0 799.29 +3170 10845 3M-2H+K 564336 790.1525052 790.1493161280516 927.0798272891047 251.06796639999996 C9H9BrF2O 1 995.7 +3171 10443 3M-2H+K 421835 742.5370860000002 742.53722930926 1097.961840207283 235.19616000000002 C10H9N3O4 0 713.71 +3173 8373 3M-2H+K 207056 547.3619556000001 547.3598614654522 720.2278850073097 170.13778320000003 C8H7FO3 1 682.6 3175 12181 3M-2H+K 412043 980.2785660000001 980.2780011255869 1184.85186149569 314.44332000000003 C22H18S 0 1203.89 +3176 7908 3M-2H+K 476089 517.204254 517.2018787789457 267.00779006381146 160.085216 C5H5F5 1 575.76 3177 11078 3M-2H+K 289581 817.3559490000001 817.3588568001412 333.26988875886127 260.135781 C6H13O9P 1 243.93 +3179 9403 3M-2H+K 553686 628.2844548 628.2873496000007 266.4481988229032 197.1119496 C6H6F3NO3 0 580.09 +3180 7612 3M-2H+K 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C13H14O5 1 764.56 3204 2618 M-2H+K 190558 266.247906 266.247710830689 749.341808832427 229.2993 C9H15N3O2S 1 755.73 +3206 3314 M-2H+K 53583 296.295486 296.2945323246938 935.8300973491234 259.34688 C6H17N3O4S2 1 139.92 +3207 2076 M-2H+K 412758 241.200226 241.19913190821012 647.5963138847587 204.25161999999997 C9H8N4S 1 365.5 +3208 10155 M-2H+K 860556 711.3598880000004 711.3581801774233 718.7725720546092 674.4112820000004 C20H24N10O13P2 1 627.62 3211 4946 M-2H+K 688314 368.38114599999994 368.379696166276 1097.6195189140435 331.43253999999996 C17H21N3O2S 1 990.47 +3215 1260 M-2H+K 371666 198.149046 198.14918145856552 380.60330383859895 161.20044000000001 C10H11NO 1 663.3 3216 2133 M-2H+K 424266 244.17442599999998 244.17370646902043 434.29154023575444 207.22582 C11H13NO3 1 651.81 3217 1472 M-2H+K 628005 210.08375560000002 210.08445635332913 509.68965608587513 173.1351496 C8H6F3N 1 705.06 +3221 4629 M-2H+K 479278 353.3400659999999 353.3406864303473 904.7044510570067 316.39145999999994 C19H24O4 1 891.35 +3224 1297 M-2H+K 493705 200.16492599999998 200.16457482526738 517.5355389173843 163.21632 C10H13NO 1 460.64 +3225 2802 M-2H+K 339800 274.20040600000004 274.2013740835313 496.7967084449052 237.25180000000003 C12H15NO4 1 773.42 +3226 3446 M-2H+K 379829 302.0695091999999 302.0690037488444 348.80020231234016 265.12090319999993 C13H10BrF 1 1178.15 +3227 1529 M-2H+K 661530 213.13892600000003 213.13871370744403 433.18788854617014 176.19032 C6H8O4S 1 646.39 +3228 578 M-2H+K 320607 159.11300599999998 159.1132164396984 197.50324024767522 122.1644 C8H10O 1 704.85 3229 2744 M-2H+K 303814 271.242826 271.24225116316893 714.0150930410854 234.29421999999997 C13H18N2O2 1 514.87 +3232 2824 M-2H+K 314655 275.16652700000003 275.167859951795 373.0602181220081 238.21792100000002 C9H19O5P 1 758.81 +3233 7817 M-2H+K 54868 512.2696859999998 512.2671669807162 678.3538115398219 475.3210799999997 C30H12Cl2O2 1 1019.62 +3234 7818 M-2H+K 54868 512.2696859999998 512.2687236913455 596.7717341684762 475.3210799999997 C30H12Cl2O2 1 1019.62 +3238 8117 M-2H+K 294336 530.4672156 530.4671060750406 1212.4944964467097 493.51860960000005 C25H30F3N3O4 1 676 +3239 3021 M-2H+K 583801 284.195226 284.1965437121901 263.14070230275763 247.24662 C13H13NO4 1 731.6 +3240 3720 M-2H+K 551101 312.31788599999993 312.3167298654852 945.7978382813568 275.36927999999995 C14H17N3OS 1 710.49 +3241 3397 M-2H+K 579933 300.16323559999995 300.16301763583243 331.5705510343127 263.21462959999997 C14H8F3NO 1 871.37 +3242 3859 M-2H+K 443288 318.276106 318.27649994566457 931.7867049784011 281.32750000000004 C13H15NO4S 1 797.55 +3243 7920 M-2H+K 266235 517.4104259999998 517.4088234508381 1102.9686982513276 480.46181999999976 C23H28O11 1 675.2 +3246 3905 M-2H+K 222379 320.22942600000005 320.23002356237913 670.9677246544445 283.28082000000006 C13H28Cl2N2 1 388.51 3247 2053 M-2H+K 654367 240.170866 240.17061867543276 216.34696833995648 203.22225999999998 C5H9N5O2S 1 658.51 3250 408 M-2H+K 620894 148.047306 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464.38109553773023 252.18032 C10H8N2O6 1 44.76 3269 1893 M-2H+K 28828 231.25106600000004 231.25107094570208 716.7922728030064 194.30246000000002 C10H14O2Si 1 930.63 +3270 4356 M-2H+K 29049 340.238566 340.23955568002674 599.9788961906756 303.28996 C14H9NO5S 1 689.31 +3271 2806 M-2H+K 405261 274.27320599999996 274.2739015093211 1007.1776044519838 237.32459999999998 C10H15N5S 1 383.3 +3272 2661 M-2H+K 649081 268.199126 268.19898236386393 584.0911771545843 231.25052 C12H13N3O2 1 717.64 3274 4661 M-2H+K 519709 355.11239839999985 355.1133834777827 337.24016005984987 318.16379239999986 C10H10F7NaO2 1 781.72 +3275 2760 M-2H+K 402542 272.184526 272.18584969099817 407.2444120007127 235.23592 C12H13NO4 1 652.19 +3276 5868 M-2H+K 231390 412.3244459999999 412.323988550925 1005.9202001602439 375.3758399999999 C18H21N3O6 1 723.81 +3277 5263 M-2H+K 485792 384.7495660000001 384.74953142026504 441.5622617643784 347.8009600000001 C19H14ClN5 1 657.97 +3278 4977 M-2H+K 97481 370.16982599999994 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C13H14Cl2O2S 1 1153.15 +3291 4409 M-2H+K 863538 343.09536600000007 343.095240906456 309.84707771442135 306.1467600000001 C14H9Cl2N3O 1 793.77 +3292 3177 M-2H+K 168932 290.24440599999997 290.2455187241061 901.196670943718 253.29579999999999 C16H15NO2 1 987.48 +3293 2878 M-2H+K 660217 278.103326 278.1031061254505 452.23224852648286 241.15472 C10H18Cl2O2 1 1139.89 3294 1660 M-2H+K 29662 220.154566 220.15451251384206 426.41332609004553 183.20595999999998 C12H9NO 1 743.2 +3302 1573 M-2H+K 354654 215.17956599999997 215.1794156671203 638.7926505874545 178.23095999999998 C10H14N2O 1 260.19 3306 4996 M-2H+K 8855 371.16776699999997 371.1674463828248 203.3788133193043 334.219161 C11H15N2O8P 1 211.11 3307 2853 M-2H+K 337316 276.216286 276.21683989097744 594.2867615147127 239.26768 C12H17NO4 1 704.49 +3308 2343 M-2H+K 526615 254.212306 254.21155085761075 710.2474883179309 217.2637 C13H15NO2 1 804.58 +3309 2742 M-2H+K 729951 271.20460599999996 271.20560374721055 708.5189205590732 234.25599999999994 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255.15419999999997 C11H15BrN2 1 811.63 +3791 3358 M+K-2H 276496 298.309466 298.3104441053424 967.9839185320461 261.36086 C19H19N 1 1017.68 +3793 1019 M+K-2H 251673 184.079406 184.07910725550948 282.18558827642323 147.1308 C8H5NO2 1 633.94 3794 1889 M+K-2H 477775 231.178966 231.17858031182416 612.5612321095379 194.23036000000002 C10H14N2O2 1 597.77 3795 1316 M+K-2H 699775 201.12822599999998 201.12746372273585 536.1512971935608 164.17961999999997 C5H8O4S 1 586.78 +3798 2708 M+K-2H 563752 270.14382919999997 270.1449217454768 276.6434642748788 233.1952232 C12H8FNO3 1 622.63 3800 2851 M+K-2H 186576 276.202966 276.2036502375742 658.5063782241784 239.25436 C8H9N5O2S 1 601.71 +3801 842 M+K-2H 553390 175.075946 175.07557077225542 412.72921354120035 138.12733999999998 C5H6N4O 1 328.21 +3803 6691 M+K-2H 661077 450.19722599999983 450.1972525473126 398.67134650666105 413.24861999999985 C19H18Cl2O6 1 880.83 3804 3039 M+K-2H 250069 285.1072956 285.1085560142711 205.61843219434508 248.1586896 C9H7F3N2O3 1 746.14 +3807 242 M+K-2H 369337 135.091606 135.09190255178282 230.58652153930848 98.143 C6H10O 1 493.92 +3809 3830 M-H+HCOOH 62660 317.168494 317.1684811697197 460.32853832988604 272.1703 C13H15Cl2NO 1 992.51 3811 5163 M-H+HCOOH 98329 379.236334 379.2381737642906 697.4067990903606 334.23814 C15H21Cl2NO3 1 1042.81 +3812 2365 M-H+HCOOH 119861 255.25109400000002 255.25088841005314 868.1497468778131 210.2529 C9H10N2O2S 1 624.72 3813 3651 M-H+HCOOH 179090 309.2406435999999 309.23964015972786 867.9633474118493 264.2424495999999 C15H11F3O 1 1001.01 3814 3652 M-H+HCOOH 179090 309.2406435999999 309.2419656925808 685.0321748900517 264.2424495999999 C15H11F3O 1 1001.01 +3815 2996 M-H+HCOOH 143444 283.195334 283.1955345998142 199.26377829871123 238.19714 C11H21Cl2N 1 857.55 +3817 2812 M-H+HCOOH 543120 275.09205399999996 275.0916791049369 462.0177257877542 230.09385999999998 C9H9Cl2N3 1 536.43 +3818 3294 M-H+HCOOH 705243 295.245454 295.24592733674143 767.2658032566966 250.24725999999998 C13H14O5 1 764.56 3825 3605 M-H+HCOOH 721112 308.11537400000003 308.1162461567777 338.0885417689812 263.11718 C11H12Cl2O3 1 945.68 +3826 1414 M-H+HCOOH 371666 206.19863400000003 206.1984309152389 738.4784723449735 161.20044000000001 C10H11NO 1 663.3 +3827 10240 M-H+HCOOH 226909 720.5428539999998 720.5429262989727 1053.4052743533466 675.5446599999998 C25H24N2O8Pt 0 593.44 +3828 5747 M-H+HCOOH 169178 406.24295500000005 406.2420010190956 574.5657718772653 361.24476100000004 C11H15Cl2O3PS2 0 1198.83 3830 4841 M-H+HCOOH 287492 363.22813399999995 363.22738736426703 477.36927205548454 318.22993999999994 C12H16BrNO2S 1 968.43 3831 1948 M-H+HCOOH 213536 234.168974 234.17002824090446 413.24669175236255 189.17078 C9H7N3O2 1 637.5 +3832 2974 M-H+HCOOH 339800 282.249994 282.25046841865685 837.5908239760776 237.25180000000003 C12H15NO4 1 773.42 3836 11208 M-H+HCOOH 572270 835.6623160000004 835.6659964947171 1190.709640031607 790.6641220000004 C29H50N3O18P2- 1 795.09 +3837 1023 M-H+HCOOH 47679 184.106994 184.10786725565262 211.92071791722014 139.1088 C6H5NO3 1 548.01 3838 3516 M-H+HCOOH 555479 304.2489403999999 304.24797314374496 997.7065342392796 259.2507463999999 C15H11F2NO 1 993.06 +3841 2175 M-H+HCOOH 328922 246.197974 246.19698297120644 267.62533079846423 201.19977999999998 C7H7NO4S 1 509.45 3842 2684 M-H+HCOOH 666238 269.186714 269.18570179122963 388.7184757744065 224.18852 C6H8O7S 1 467.64 3844 5686 M-H+HCOOH 370426 403.23283319999985 403.2328682811599 660.9069178353927 358.23463919999983 C17H8F6O2 1 913.72 3845 1414 M-H+HCOOH 625257 206.19863399999997 206.1984309152389 738.4784723449735 161.20044 C10H11NO 1 720.89 +3846 7433 M-H+HCOOH 659900 490.22799399999997 490.2259523245979 429.1403648319931 445.22979999999995 C10H20BrCl3Sn 0 819.34 3854 2047 M-H+HCOOH 120162 240.130494 240.13166257291735 471.5685086843315 195.13230000000001 C7H5N3O4 0 642.33 3855 902 M-H+HCOOH 340020 178.143934 178.14386033376294 463.38610354422644 133.14574 C5H11NO3 1 608.89 +3856 6481 M-H+HCOOH 366120 441.137674 441.13797880626174 463.52911043702346 396.13948 C16H12Br2S 0 1159.19 +3857 6482 M-H+HCOOH 366120 441.137674 441.13922391000426 466.5487268136702 396.13948 C16H12Br2S 0 1159.19 +3862 2285 M-H+HCOOH 90685 251.235954 251.23716343580654 839.738242923298 206.23775999999998 C12H14O3 1 739.37 +3863 2929 M-H+HCOOH 402542 280.234114 280.2349184898872 732.3689052971135 235.23592 C12H13NO4 1 652.19 +3867 5930 M-H+HCOOH 716639 416.1345740000001 416.13646727916205 455.7778478868716 371.1363800000001 C17H32OSn 1 576.09 3872 3490 M-H+HCOOH 309289 303.267454 303.26809310452427 731.7125833421155 258.26926 C15H14O4 1 705.44 +3873 3851 M-H+HCOOH 89055 318.174555 318.17323420771453 533.7721661699983 273.176361 C10H14NNa2O3P 1 640.45 +3876 4574 M-H+HCOOH 863538 351.1449540000001 351.144040056778 572.2371575644804 306.1467600000001 C14H9Cl2N3O 1 793.77 +3877 8786 M-H+HCOOH 588015 574.4877940000001 574.4858507604583 1103.7920014393355 529.4896000000001 C20H35NO15 0 570.91 +3878 6918 M-H+HCOOH 669000 461.2182540000001 461.21918217970483 602.1589056785465 416.2200600000001 C19H39NOSn 1 596.9 3879 6919 M-H+HCOOH 669000 461.2182540000001 461.22051015667506 526.006901691203 416.2200600000001 C19H39NOSn 0 596.9 +3880 951 M-H+HCOOH 621195 180.16135399999996 180.16201037495074 311.53495806982403 135.16315999999998 C8H9NO 1 263.02 +3882 9848 M-H+HCOOH 853142 673.530974 673.5280907747856 915.4148765130416 628.53278 C27H32O17 1 599.82 +3883 1309 M-H+HCOOH 501686 201.09115400000002 201.09091362521076 564.5504200614296 156.09296 C6H4O5 1 603.27 +3884 2954 M-H+HCOOH 24715 281.26677399999994 281.26675751798297 854.5909284671676 236.26857999999993 C15H12N2O 1 674.1 +3885 2215 M-H+HCOOH 388398 248.19885399999998 248.1984539554595 823.2507251673491 203.20065999999997 C9H9N5O 1 616.14 +3888 2487 M-H+HCOOH 728317 261.1714868 261.1712926717639 460.7930014079725 216.1732928 C8H12F4O2 0 774.47 +3889 2429 M-H+HCOOH 528445 258.230134 258.2296758299411 748.6985916909454 213.23194 C13H11NO2 1 712.1 3892 5582 M-H+HCOOH 106523 398.1999139999999 398.2018559840368 401.8621624437584 353.2017199999999 C12H18Cl2N4O4 1 726.51 +3893 6003 M-H+HCOOH 868234 418.35661399999987 418.35865776231776 531.2150993294575 373.35841999999985 C15H23N3O8 0 566.1 3895 3026 M-H+HCOOH 337316 284.265874 284.266229205713 866.4615024801656 239.26768 C12H17NO4 1 704.49 +3896 4630 M-H+HCOOH 499093 353.413934 353.4142289021272 779.0288312586054 308.41573999999997 C15H16O3S2 1 665.42 +3897 3954 M-H+HCOOH 330535 322.29387719999994 322.29496931169115 857.5446474065151 277.2956831999999 C17H12FN3 1 713.75 +3901 4630 M-H+HCOOH 346797 353.413794 353.4142289021272 779.0288312586054 308.4156 C24H20 1 1018.16 +3904 4388 M-H+HCOOH 386413 342.06989500000003 342.06864041228846 362.001564650937 297.071701 C10H11Cl2O4P 1 887.36 +3905 2862 M-H+HCOOH 359010 277.107934 277.1074469173429 513.6769755781936 232.10974 C9H11Cl2N3 1 560.83 +3906 8413 M-H+HCOOH 17757 551.1944569999999 551.1947992630234 567.9911172336434 506.19626299999993 C10H17N6O12P3 0 168.43 +3910 1282 M-H+HCOOH 472035 199.182994 199.18233592124247 603.5506496196805 154.1848 C4H10O4S 1 312.54 +3911 3134 M-H+HCOOH 505512 288.254574 288.253374252078 762.5582227418752 243.25638 C11H17NO5 1 634.05 +3915 3986 M-H+HCOOH 506223 324.127434 324.1263717125188 557.6479508204897 279.12924 C13H11BrO2 1 935.02 3920 4023 M-H+HCOOH 637237 325.27473399999997 325.27364618042014 718.5851049205214 280.27653999999995 C13H16N2O5 1 426.68 3921 2285 M-H+HCOOH 438738 251.235954 251.23716343580654 839.738242923298 206.23776 C12H14O3 1 846.68 +3924 3544 M-H+HCOOH 684413 305.24357399999997 305.2429033252195 344.83382315293835 260.24537999999995 C13H12N2O4 1 672.55 +3925 3749 M-H+HCOOH 588237 314.092854 314.0912965804325 219.78748237859924 269.09466 C10H9BrN2O2 1 796.19 3927 2325 M-H+HCOOH 89783 253.253374 253.25267033088795 838.6537233320302 208.25518 C15H12O 1 920.03 3931 4091 M-H+HCOOH 251412 328.20092359999995 328.20123447214075 544.4541842234696 283.20272959999994 C13H8F3NO3 1 791.68 +3933 2730 M-H+HCOOH 42856 271.09843 271.0993389630454 481.07677095664167 226.100236 C8H3F5O2 0 958.44 +3934 3401 M-H+HCOOH 45400 300.19235399999997 300.1911575605252 202.74410807717766 255.19415999999998 C6H9N9O3 1 156.48 +3935 846 M-H+HCOOH 283992 175.09693399999998 175.0967385717956 413.19702553453226 130.09873999999996 C5H6O4-- 0 603.72 +3938 9514 M-H+HCOOH 548701 635.4862139999998 635.4873223447403 967.2976807932162 590.4880199999998 C21H18O16S2-- 0 791.59 +3939 2951 M-H+HCOOH 580566 281.21230039999995 281.21120354549936 618.2043153695788 236.21410639999996 C13H10F2O2 1 858.76 3940 3348 M-H+HCOOH 385589 298.176274 298.17594568555546 264.87663581000857 253.17807999999997 C13H17Br 0 1225.49 +3941 2197 M-H+HCOOH 342232 247.22725499999996 247.22680080990807 823.8362870861614 202.22906099999997 C2H5K2O4P 1 272.62 3942 2325 M-H+HCOOH 137809 253.25183400000003 253.25267033088795 838.6537233320302 208.25364000000002 C12H16O3 1 734.39 3943 4448 M-H+HCOOH 726177 345.090624 345.092178479091 232.83337419470317 300.09243 C11H9IO2 0 992.5 3944 3549 M-H+HCOOH 727084 305.303394 305.3030241053062 748.3902861388195 260.3052 C8H20O7S 1 396.66 +3949 6574 M-H+HCOOH 321399 445.242623 445.2407270051862 760.3396612869162 400.24442899999997 C15H21IN2O3 1 651.78 +3958 6392 M-H+HCOOH 331788 436.290734 436.289594644201 640.6608041197348 391.29254 C23H16Cl2N2 0 1009.34 +3959 6393 M-H+HCOOH 331788 436.290734 436.2908112282778 683.6850642661389 391.29254 C23H16Cl2N2 0 1009.34 3961 4138 M-H+HCOOH 36412 330.20923400000004 330.21002237815026 476.3122783989668 285.21104 C3HCl7 1 1036.07 3962 2689 M-H+HCOOH 281946 269.22641719999996 269.2266498828559 668.1113562776329 224.22822319999995 C12H13FO3 1 659.24 +3963 4783 M-H+HCOOH 201607 360.27571399999994 360.2746348628635 616.7349930056237 315.2775199999999 C16H13NO6 1 766.24 +3970 3599 M-H+HCOOH 657771 307.26429399999995 307.2629343125407 653.651758250599 262.26609999999994 C15H10N4O 1 836.64 3972 2437 M-H+HCOOH 323495 259.100474 259.10016802140115 455.08170862980285 214.10228 C9H12BrN 1 670.35 3973 5985 M-H+HCOOH 621976 417.87735399999997 417.87943724079975 1244.0364641975632 372.87915999999996 C9H9Br3O 1 1108.12 +3978 3998 M-H+HCOOH 54030 324.2882139999999 324.2895039255778 809.7285253461899 279.2900199999999 C17H13NO3 0 760.18 +3979 5822 M-H+HCOOH 255447 410.29133399999984 410.2901173000931 709.8343964817115 365.2931399999998 C19H11NO7 1 701.36 +3981 3163 M-H+HCOOH 523830 289.25100359999993 289.25210023675686 669.8038789585055 244.25280959999995 C13H15F3O 1 996.91 +3983 3841 M-H+HCOOH 495732 317.25273400000003 317.25149019153804 560.8011639658927 272.25454 C11H16N2O6 1 519.18 3984 6108 M-H+HCOOH 385846 423.260034 423.25962836706066 705.753083862168 378.26184 C21H16BrNO 1 1031.83 +3985 2096 M-H+HCOOH 56287 242.18613399999998 242.18585442797638 356.2912538229394 197.18794 C9H11NO4 1 519.44 +3986 3003 M-H+HCOOH 84155 283.282654 283.282174524441 946.7891835921547 238.28445999999997 C15H14N2O 1 669.48 +3993 6240 M-H+HCOOH 272396 429.2600940000001 429.25858731011255 463.72515077703724 384.2619000000001 C19H15Cl2N5 1 738.11 +3997 1751 M-H+HCOOH 345299 225.221814 225.22137886581652 816.3972035742171 180.22362 C9H8O2S 1 704.02 +3998 5961 M-H+HCOOH 67505 417.15658399999995 417.1577487769392 454.8779841077635 372.15838999999994 C13H13IN2O3 0 640.46 +3999 4582 M-H+HCOOH 704454 351.207854 351.20732836857576 632.1741153181104 306.20966 C15H9Cl2NS 1 1280.76 4000 2325 M-H+HCOOH 487751 253.25183400000003 253.25267033088795 838.6537233320302 208.25364000000005 C12H16O3 1 808.57 +4002 2259 M-H+HCOOH 500266 250.20813399999997 250.20920888632205 679.7854119513215 205.20994 C11H11NO3 1 664.61 4003 1433 M-H+HCOOH 301999 207.186694 207.18574398820832 360.3714720424948 162.1885 C9H10N2O 1 453.34 +4004 3945 M-H+HCOOH 288452 322.21145400000006 322.21152164395386 423.63354712934887 277.21326000000005 C11H14Cl2N2S 1 975.26 4007 2446 M-H+HCOOH 339761 259.153195 259.1541717903262 537.2251704609387 214.155001 C9H11O4P 1 740.58 +4008 3029 M-H+HCOOH 324332 284.332074 284.33103705820065 835.5594672769531 239.33388 C12H17NO2S 1 864.88 +4010 1644 M-H+HCOOH 389173 219.149494 219.14942277118823 1270.3470600982441 174.15130000000002 C7H10O5 1 652.7 +4013 3767 M-H+HCOOH 701363 314.2685771999999 314.268703906251 770.1116085724213 269.2703831999999 C16H12FNO2 1 830.38 4016 3761 M-H+HCOOH 636635 314.178974 314.1791778036061 471.47497361441526 269.18077999999997 C12H17BrN2 1 435.13 +4018 7221 M-H+HCOOH 433330 477.42029399999967 477.4204826703833 1140.8230249397393 432.42209999999966 C25H20O7 0 884.86 +4021 2906 M-H+HCOOH 594725 279.20629399999996 279.20678437650525 292.5083372518553 234.20809999999997 C11H10N2O4 1 624.12 +4024 2721 M-H+HCOOH 700887 270.244134 270.24288393635123 751.3335704081153 225.24594 C13H11N3O 1 673.53 +4025 2847 M-H+HCOOH 724048 276.170754 276.17039175284094 281.69747955082596 231.17256 C11H19Br 1 1261.79 +4026 5728 M-H+HCOOH 403579 405.23209399999996 405.23084503582254 505.5373255257792 360.23389999999995 C19H15Cl2NO2 1 1127.04 +4027 1904 M-H+HCOOH 550258 232.108834 232.10816352103788 348.7022751620817 187.11064 C6H16Cl2N2 1 126.27 +4030 3059 2M+HCOOH-H 53054 285.298761 285.29805987492114 947.0098288523932 120.15028000000001 C4H12N2O2 1 61.06 4038 4890 2M+HCOOH-H 509211 365.3434409999999 365.34456222966116 917.9425069893448 160.17261999999997 C9H8N2O 1 394.35 +4047 10894 2M+HCOOH-H 96094 795.5078409999998 795.511495182473 460.69589776640134 375.2548199999999 C16H23BrO5 0 1042.64 +4049 5711 2M+HCOOH-H 483980 404.290401 404.28999552388666 545.2537934318809 179.6461 C10H10ClN 1 894.52 +4052 10328 2M+HCOOH-H 276597 729.5911609999999 729.5892804769027 1078.156109375502 342.29648 C12H22O11 1 627.51 +4053 7687 2M+HCOOH-H 121375 504.31856100000005 504.3188151817761 823.4450418275604 229.66018000000003 C10H12ClNO3 1 712.11 +4054 4449 2M+HCOOH-H 310532 345.098961 345.1003517992293 510.8980219419606 150.05038 CH2N4O5 1 499.11 +4055 6843 2M+HCOOH-H 304962 457.24222019999996 457.2416242540842 612.5260880928054 206.12200959999998 C7H5F3N2O2 1 607.99 +4056 6844 2M+HCOOH-H 304962 457.24222019999996 457.24293664667437 551.5925018955736 206.12200959999998 C7H5F3N2O2 1 607.99 +4060 9097 2M+HCOOH-H 694847 601.777881 601.7773652392887 243.30632243861524 278.38984 C16H26N2O2 1 947.1 +4062 1597 2M+HCOOH-H 671896 217.09716099999997 217.09743958578053 294.8057344915692 86.04947999999999 C2H2N2O2 1 320.23 +4063 2639 2M+HCOOH-H 620894 267.19560099999995 267.1956243226865 583.4205255683313 111.09869999999998 C5H5NO2 1 243.7 +4064 10589 2M+HCOOH-H 370426 761.4674793999997 761.4658721186883 846.5637257677702 358.23463919999983 C17H8F6O2 0 913.72 +4065 4132 2M+HCOOH-H 801 330.163961 330.16284417365324 526.1751399310202 142.58288 C7H7ClO 1 734.64 +4066 4646 2M+HCOOH-H 107174 354.23516099999995 354.2355810477308 610.9131418696525 154.61847999999998 C3H7ClN2OS 0 517.34 +4067 7755 2M+HCOOH-H 542435 508.28048099999995 508.28271825255905 601.3089298395879 231.64113999999998 C10H6ClN5 1 726.44 4068 5329 2M+HCOOH-H 554090 388.16028100000005 388.15956609613465 507.3743750559923 171.58104000000003 C7H6ClNO2 0 644.39 4071 5197 2M+HCOOH-H 108390 381.298241 381.2974422231286 958.5665442228498 168.15002 C7H8N2O3 1 547.94 +4073 7634 2M+HCOOH-H 307506 501.147561 501.14689728621283 236.31602155389808 228.07468 C10H7Cl2NO 1 714.07 +4076 7141 2M+HCOOH-H 677125 473.2765402 473.27473191446904 615.6842988779076 214.1391696 C7H9F3O4 1 747.94 +4077 8616 2M+HCOOH-H 240066 564.297601 564.3000306862214 513.3018861188747 259.6497 C8H10ClN5O3 1 615.23 +4079 5137 2M+HCOOH-H 849101 377.346001 377.34506461008505 940.1957216635375 166.1739 C9H10O3 1 680.8 +4080 8873 2M+HCOOH-H 401630 581.7913209999999 581.7905086662312 344.91715886375187 268.39655999999997 C18H24N2 1 666.77 +4081 10086 2M+HCOOH-H 445275 701.6302809999997 701.6291318716876 1237.0327207198309 328.3160399999999 C18H16O6 1 797.61 4082 11325 2M+HCOOH-H 511701 849.2808209999998 849.2795849355393 216.4523723754001 402.1413099999999 C13H11IN2O5 1 772.33 4086 4554 2M+HCOOH-H 40147 350.19680099999994 350.1975997110781 510.62010159091756 152.59929999999997 C4H5ClO2S 1 649 +4087 5000 2M+HCOOH-H 556205 371.1927402 371.1918361040998 357.1481357507051 163.0972696 C6H4F3NO 1 702.35 4088 5576 2M+HCOOH-H 105336 398.15028739999997 398.1485495941776 421.4469788831904 176.5760432 C6H6ClFN2O 1 745.82 4089 7601 2M+HCOOH-H 130995 498.36356099999995 498.3644142006177 997.8942828558128 226.68267999999998 C9H7ClN2OS 1 762.64 4090 11018 2M+HCOOH-H 47514 810.1722010000002 810.1722533157971 1000.0998981098318 382.5870000000001 C18H30N4OS2 0 1035.29 +4094 1748 2M+HCOOH-H 46177 225.160681 225.15974394551102 388.5257267167932 90.08124000000001 C2H6N2O2 1 250.8 +4100 6457 2M+HCOOH-H 500100 440.148721 440.1474872433589 375.10999062458694 197.57526000000001 C8H4ClNO3 0 736.7 +4102 5366 2M+HCOOH-H 558424 389.2558938 389.25685092768003 380.61801297742187 172.12884640000001 C8H6F2O2 1 698.29 4103 12762 2M+HCOOH-H 16950 1081.511381 1081.5143012807673 384.8059644701458 518.25659 C7H2ClI3O 0 1167.83 +4104 8432 2M+HCOOH-H 238431 551.7620410000002 551.7613308714033 403.2085820745483 253.38192000000006 C18H23N 1 798.29 +4105 5428 2M+HCOOH-H 513488 391.30464099999995 391.3033392131738 642.4355850331926 173.15321999999998 C3H3N5O2S 1 601.37 +4106 6605 2M+HCOOH-H 109088 446.322241 446.3243876141805 469.07504418251165 200.66202 C10H13ClO2 1 778.34 +4115 8608 2M+HCOOH-H 579501 563.5493273999999 563.5506787876393 916.2173357911543 259.27556319999997 C15H14FNO2 1 770.85 +4116 10095 2M+HCOOH-H 121809 702.4115209999998 702.4103803873073 1148.3579127758112 328.7066599999999 C16H9ClN2O4 0 913.12 +4117 9653 2M+HCOOH-H 647671 649.8206810000001 649.8210300672251 352.94909158233474 302.4112400000001 C18H26N2O2 1 796.88 4118 4266 2M+HCOOH-H 509128 336.17844099999996 336.17994175198055 504.3624773620597 145.59011999999998 C5H8ClN3 1 181.45 +4120 11297 2M+HCOOH-H 76892 845.7556537999998 845.7568042418185 774.4718144267133 400.3787263999999 C20H18F2N4O3 0 673.81 4121 7602 2M+HCOOH-H 676448 498.396801 498.3987508968881 1061.219263141976 226.6993 C12H15ClO2 1 870.6 +4122 8392 2M+HCOOH-H 552590 549.3066393999999 549.3085848068275 572.3209459329099 252.15421919999994 C8H10F6O2 0 858.04 4123 7147 2M+HCOOH-H 727054 473.36574019999995 473.3659288964593 721.6382446424619 214.18376959999998 C11H9F3O 1 1058.91 4124 7957 2M+HCOOH-H 399450 519.726921 519.7272105331467 241.85736245567176 237.36435999999995 C12H19N3S 1 934.13 +4125 6019 2M+HCOOH-H 345342 419.24214019999994 419.24077107241555 673.4483647102227 187.12196959999997 C7H4F3N3 1 736.81 +4127 10593 2M+HCOOH-H 183037 761.6692601999998 761.666108115276 239.63623259612328 358.3355295999999 C15H13F3N2O3S 1 927.92 4128 10658 2M+HCOOH-H 190233 767.574521 767.5759532863631 1099.0164713879262 361.28816 C18H14Cl2N2S 0 1356.25 +4129 7448 2M+HCOOH-H 649448 490.42600099999987 490.42411439467764 1043.2240628026761 222.71389999999994 C12H15ClN2 1 109.48 +4132 7135 2M+HCOOH-H 323495 473.202761 473.20150791174 527.7534688699313 214.10228 C9H12BrN 1 670.35 4133 8760 2M+HCOOH-H 864457 573.1254610000001 573.1264872679064 968.9976857127328 264.06363000000005 C7H9IN2O 1 470.42 +4135 5864 2M+HCOOH-H 54394 412.26780099999996 412.2689397531293 608.4798608168896 183.63479999999998 C9H10ClNO 1 590.1 +4137 9223 2M+HCOOH-H 736576 613.2102009999999 613.2094229410415 307.1067348049172 284.10599999999994 C11H10BrNO3 0 823.38 +4139 8066 2M+HCOOH-H 421819 527.269683 527.2681503488072 684.1960221324186 241.135741 C6H12NO7P 1 107.38 +4140 7027 2M+HCOOH-H 614240 467.21318299999996 467.2116260371038 418.08985712621455 211.10749099999998 C7H9NaO4P+ 1 93.17 +4141 5237 2M+HCOOH-H 670734 383.277441 383.2772322113254 679.7256417167679 169.13962 C9H3N3O 1 719.55 4142 10588 2M+HCOOH-H 257386 761.4370809999996 761.4348578646396 621.2298249999891 358.2194399999998 C14H6N4O8 0 638.97 +4143 7182 2M+HCOOH-H 428165 475.3053738 475.3039334612601 664.7190193447285 215.1535864 C9H7F2NO3 1 703.58 +4144 2667 2M+HCOOH-H 248747 269.07900099999995 269.0802913848773 264.5210800765427 112.04039999999998 C4O4-- 1 528.66 +4145 11193 2M+HCOOH-H 674222 834.2266809999999 834.225319639542 1081.5857138931083 394.61423999999994 C20H26O2S3 1 1083.62 +4146 10410 2M+HCOOH-H 594163 738.2210810000003 738.2226645770378 1234.404516153022 346.61144000000013 C10H26O5S2Si2 1 878.58 4147 7690 2M+HCOOH-H 200176 504.4046809999999 504.4070498272747 1065.7085031222482 229.70323999999997 C11H16ClNO2 0 630.04 +4154 8683 2M+HCOOH-H 355555 568.3192409999999 568.3165111441216 249.7009294465135 261.66051999999996 C13H8ClNO3 0 872.24 +4157 7586 2M+HCOOH-H 26536 497.360721 497.359694475776 967.3769431046918 226.18126 C7H14O8 0 262.81 +4159 11036 2M+HCOOH-H 76323 811.9262810000001 811.9296685234649 437.1158020662592 383.46404000000007 C20H21N3O3S 0 668.66 4161 5410 2M+HCOOH-H 675299 391.1955274 391.1963733579199 447.1856645541517 173.0986632 C6H4FNO4 1 430.86 4162 8489 2M+HCOOH-H 537351 555.306601 555.3087419571298 724.1222466018081 255.15419999999997 C11H15BrN2 1 811.63 4163 8890 2M+HCOOH-H 636635 583.3597609999999 583.3622958909596 953.7108042072098 269.18077999999997 C12H17BrN2 1 435.13 +4165 1595 2M+HCOOH-H 299339 217.09056099999998 217.0896526246815 423.8117122987378 86.04617999999999 C3H2O3 0 537.37 +4166 6245 2M+HCOOH-H 553532 429.30472100000003 429.30274786266716 626.6364992353829 192.15326000000002 C3H4N4O4S 1 565.91 +4167 7023 2M+HCOOH-H 123928 467.1891402 467.18723874792914 387.8700428838621 211.0954696 C6H4F3NO4 1 603.81 4169 6759 2M+HCOOH-H 319507 453.35584100000005 453.3567522555725 750.0747576070116 204.17882000000003 C11H8O4 1 686.1 +4170 8704 2M+HCOOH-H 356634 569.772481 569.7697957568056 228.36809199515662 262.38714 C17H26O2 1 1114.46 +4171 8297 2M+HCOOH-H 250069 541.3155802 541.3168368673324 743.1305321889106 248.1586896 C9H7F3N2O3 1 746.14 4172 7741 2M+HCOOH-H 724048 507.343321 507.34140198810655 859.1100353260554 231.17256 C11H19Br 1 1261.79 4174 10147 2M+HCOOH-H 287500 709.5112409999999 709.5133935945685 1080.4960379458932 332.25651999999997 C13H18BrNO2S 1 992.95 +4175 6017 2M+HCOOH-H 550258 419.219481 419.2211853860313 537.4147403714373 187.11064 C6H16Cl2N2 1 126.27 +4177 10901 2M+Hac-H 714148 796.3371310000003 796.3371203435399 678.160973322611 368.66164000000015 C18H36N2O2Si2 0 890.74 4182 9246 2M+Hac-H 685031 615.0670110000001 615.0655939043749 939.147574801174 278.02658 C8H12Cl2O3V 1 831.42 4184 8463 2M+Hac-H 535672 553.4574574000001 553.4592169496216 1120.9605871077538 247.2218032 C13H10FNO3 1 745.95 +4186 5964 2M+Hac-H 736190 417.18761099999995 417.18758874456216 740.8268359989653 179.08687999999998 C8H12Cl2 1 1026.63 +4188 4332 2M+Hac-H 590394 339.2075709999999 339.2074470142673 822.4541724990602 140.09685999999996 C5H4N2O3 1 534.63 +4198 4746 2M+Hac-H 310532 359.11461099999997 359.1151025852892 538.9695641868051 150.05038 CH2N4O5 1 499.11 +4199 11437 2M+Hac-H 738971 864.1605310000002 864.1587052967964 371.8979333176252 402.5733400000001 C21H26N2O2S2 0 818.04 4200 7109 2M+Hac-H 304962 471.25787019999996 471.2571202370557 665.4168458512814 206.12200959999998 C7H5F3N2O2 0 607.99 +4203 6897 2M+Hac-H 493218 459.270693 459.26884447043057 1002.8774733111162 200.128421 C8H9O4P-- 1 626.45 4204 4340 2M+Hac-H 429082 339.287091 339.28794506398623 949.0374737248659 140.13662 C7H8O3 1 675.1 +4208 7439 2M+Hac-H 568649 490.28105100000005 490.2827644685208 712.9308443681167 215.63360000000003 C9H10ClNO3 1 716.96 +4215 11180 2M+Hac-H 684145 832.1456110000001 832.1437437887016 1009.3277008331936 386.56588000000005 C22H42O5 1 1323.48 +4216 10046 2M+Hac-H 682284 696.2992910000005 696.2977832525856 737.5559403573992 318.6427200000002 C16H38O2Si2 1 1141.48 +4218 3542 2M+Hac-H 447643 305.232651 305.2321672220071 569.1717007763395 123.10939999999998 C6H5NO2 1 530.67 4219 7612 2M+Hac-H 204874 499.31103019999995 499.3107864603496 703.8683558211899 220.14858959999998 C8H7F3N2O2 1 648.51 +4220 7613 2M+Hac-H 204874 499.31103019999995 499.3122817246098 800.7367929043966 220.14858959999998 C8H7F3N2O2 1 648.51 +4221 6331 2M+Hac-H 860429 433.234451 433.23628938529174 458.94835227566637 187.1103 C5H5N3O5 1 585.93 4223 8839 2M+Hac-H 94717 579.1608110000001 579.1635293339219 267.2510849863853 260.07348 C10H7Cl2NO3 0 788.81 +4224 2452 2M+Hac-H 607462 259.245491 259.2458359988433 828.6738811215604 100.11582 C5H8O2 1 454.18 +4227 8542 2M+Hac-H 509382 558.313491 558.3113121686761 819.6564562520216 249.64982 C12H8ClNO3 1 806.91 +4231 5827 2M+Hac-H 533768 410.371851 410.3737740033627 913.2114996080307 175.679 C7H10ClNS 1 758.96 4232 6218 2M+Hac-H 636776 428.25957100000005 428.2602345271283 574.9548249928486 184.62286000000003 C8H9ClN2O 1 720.84 4235 10914 2M+Hac-H 24307 797.8358909999998 797.8349458026769 1007.399877522394 369.4110199999999 C21H23NO5 1 847.9 +4244 4847 2M+Hac-H 361759 363.308491 363.3099140195949 879.2158195035239 152.14732 C8H8O3 1 671.77 +4246 8017 2M+Hac-H 359010 523.233331 523.23501838075 473.3662955203637 232.10974 C9H11Cl2N3 1 560.83 +4248 8224 2M+Hac-H 88403 536.4404509999999 536.4404591860902 1102.5127566449764 238.71329999999998 C12H15ClN2O 1 318.31 +4249 10930 2M+Hac-H 191331 799.8915309999999 799.8922532920285 711.9005289547213 370.4388399999999 C22H26O5 1 1029.32 +4250 9428 2M+Hac-H 254273 629.7852510000001 629.7883584746646 1242.1305039170406 285.38570000000004 C11H15N3O2S2 1 666.97 +4251 8206 2M+Hac-H 430885 535.8380510000002 535.8357549410835 769.6610423854112 238.4121000000001 C15H30N2 1 779.44 +4252 5569 2M+Hac-H 721969 397.33533299999993 397.3353087666703 832.710694284094 169.16074099999997 C8H12NOP 1 657.82 +4254 8871 2M+Hac-H 606103 581.7689774000002 581.76980200341 282.1174258203259 261.37756320000005 C17H24FN 0 828.82 +4259 7054 2M+Hac-H 88652 468.32189099999994 468.3207694604997 709.8644006069942 204.65401999999997 C8H13ClN2O2 0 124.55 +4261 9108 2M+Hac-H 663201 602.4106509999999 602.4078096567976 614.4452927120001 271.69839999999994 C15H10ClNO2 0 882.15 4262 6194 2M+Hac-H 702326 427.2865102 427.28669398597697 589.4080090916102 184.1363296 C5H3F3O2S 1 833.91 +4265 3879 2M+Hac-H 283992 319.2113309999999 319.21156567993324 573.6620174549644 130.09873999999996 C5H6O4-- 1 603.72 +4266 7622 2M+Hac-H 563586 500.2148237999999 500.2133148352967 462.58107640776046 220.60048639999997 C9H7ClF2O2 1 972.46 +4267 8322 2M+Hac-H 735418 543.238611 543.2401476673365 251.16497990657334 242.11237999999997 C10H12BrNO 0 687.1 +4268 7162 2M+Hac-H 561108 474.326251 474.3265142843744 517.7502431498053 207.6562 C11H10ClNO 1 783.94 +4271 7824 2M+Hac-H 676448 512.412451 512.4134508208801 876.1316602262746 226.6993 C12H15ClO2 1 870.6 4273 8600 2M+Hac-H 552590 563.3222893999999 563.3245471349638 559.2173000376786 252.15421919999994 C8H10F6O2 0 858.04 +4274 9909 2M+Hac-H 98196 682.154213 682.1575110688717 896.7624367834513 311.570181 C9H18Cl3O3P 0 947.5 +4278 6527 2M+Hac-H 395178 443.1916766 443.19037099799743 550.4022213460613 192.0889128 C3F4O3S 1 761.21 4283 7763 2M+Hac-H 477073 509.1810909999999 509.18348067947414 440.92975863829054 225.08361999999997 C6H13BrN2O2 1 161.93 4284 8462 2M+Hac-H 578120 553.4574574 553.4578610309511 1139.667199443058 247.22180319999998 C13H10FNO3 1 708.11 4285 8463 2M+Hac-H 578120 553.4574574 553.4592169496216 1120.9605871077538 247.22180319999998 C13H10FNO3 1 708.11 +4286 6170 2M+Hac-H 54394 426.28345099999996 426.2834673567386 612.0777429166155 183.63479999999998 C9H10ClNO 1 590.1 4288 7439 2M+Hac-H 653485 490.28105100000005 490.2827644685208 712.9308443681167 215.63360000000003 C9H10ClNO3 1 748.24 4289 8295 2M+Hac-H 421819 541.285333 541.283037426434 644.2863243207889 241.135741 C6H12NO7P 1 107.38 +4290 5568 2M+Hac-H 670734 397.293091 397.2938642913996 866.5905263189484 169.13962 C9H3N3O 1 719.55 +4293 7423 2M+Hac-H 428165 489.3210238 489.32125283468247 666.2857850478899 215.1535864 C9H7F2NO3 0 703.58 +4297 8999 2M+Hac-H 579545 592.3182974000001 592.3164449902192 400.61388628683983 266.65222320000004 C13H8ClFO3 1 851.56 +4300 9745 2M+Hac-H 377146 661.823451 661.8214361101097 379.7856210446448 301.40479999999997 C20H15NS 0 882.78 +4301 9013 2M+Hac-H 343813 593.704891 593.7039291594274 524.1415355392198 267.34551999999996 C16H13NOS 0 829.41 +4304 9483 2M+Hac-H 436287 633.227131 633.2254296632273 423.23367045412135 287.10663999999997 C11H11BrO4 1 912.12 +4305 8556 2M+Hac-H 488862 559.4491102 559.4495603310144 1103.594956880118 250.21762959999995 C10H13F3N2O2 0 862.56 +4309 6859 2M+Hac-H 360994 457.726131 457.7261440991916 331.17618849474513 199.35614 C11H21NS 1 866.72 4310 6860 2M+Hac-H 360994 457.726131 457.72746206890065 359.88944628521716 199.35614 C11H21NS 1 866.72 4313 6749 2M+Hac-H 83656 453.20717099999996 453.2091210598501 535.5959553817719 197.09665999999999 C4H9BrN2S 1 108.8 4318 1878 2M+Hac-H 299339 231.10621099999997 231.1052609894628 346.10046829005313 86.04617999999999 C3H2O3 1 537.37 4319 6540 2M+Hac-H 553532 443.320371 443.31935390808843 660.6718410525644 192.15326000000002 C3H4N4O4S 1 565.91 4321 11585 2M+Hac-H 661077 885.5110909999997 885.5074919612748 521.4188741236555 413.24861999999985 C19H18Cl2O6 1 880.83 +4322 7991 2M+Hac-H 724048 521.358971 521.3605669670067 974.2932681246552 231.17256 C11H19Br 1 1261.79 +4327 4596 M+Hac-H 227007 352.161851 352.1603297826243 299.10551772299016 293.148 C14H10Cl2N2O 1 989.46 +4332 783 M+Hac-H 393910 171.1387342 171.13814184103845 465.61834549205065 112.1248832 C6H7FN+ 1 431.58 +4333 3142 M+Hac-H 543120 289.107711 289.10736438944775 542.7751326965646 230.09385999999998 C9H9Cl2N3 1 536.43 4335 9618 M+Hac-H 509369 646.3828110000001 646.3804256847184 682.1462055675076 587.36896 C30H44O4Sn 0 659.44 +4337 2343 M+Hac-H 183447 254.212351 254.21155085761075 710.2474883179309 195.1985 C7H5N3O2S 1 581.12 +4339 7251 M+Hac-H 640453 479.301161 479.29887628810934 661.3808600237323 420.28731 C19H21IN2O 1 945.23 4342 3160 M+Hac-H 635904 289.21509100000003 289.21617168577785 608.7560461428668 230.20124 C6H6N4O4S 1 653.47 +4345 3843 M+Hac-H 97262 317.28641099999993 317.28789638263345 734.8959884267188 258.27255999999994 C14H14N2O3 1 913.13 +4346 3073 M+Hac-H 436149 286.154651 286.1548566324879 460.8753918341194 227.1408 C11H15Br 1 1052.78 +4347 2488 M+Hac-H 386452 261.180091 261.1809215669694 260.49475375248005 202.16624000000002 C10H6N2O3 1 689.99 4348 1661 M+Hac-H 633143 220.169691 220.16961880586825 585.6856231339628 161.15583999999998 C6H11NO4 1 78.47 +4349 6034 M+Hac-H 169178 420.258612 420.2585983939896 605.866859896245 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +4350 2214 M+Hac-H 213536 248.18463100000002 248.1856149511282 517.2873219235848 189.17078 C9H7N3O2 1 637.5 4351 2643 M+Hac-H 312415 267.269031 267.26781190343775 913.2065748681886 208.25517999999997 C15H12O 1 1061.57 4353 6291 M+Hac-H 66102 431.29633099999984 431.2982477444725 630.5085539392057 372.28247999999985 C18H12O9 1 752.98 +4359 4132 M+Hac-H 100703 330.164151 330.16284417365324 526.1751399310202 271.1503 C12H15BrO2 1 1066.69 +4360 2763 M+Hac-H 405096 272.204491 272.20478347364497 349.29012225060177 213.19064000000003 C8H11N3O4 1 726.51 4361 7681 M+Hac-H 659900 504.24365099999994 504.2428342725922 536.2087192429185 445.22979999999995 C10H20BrCl3Sn 0 819.34 4362 3410 M+Hac-H 5602 300.27413419999993 300.27318782742066 525.7214860069668 241.26028319999992 C15H12FNO 1 809.27 4365 2955 M+Hac-H 254702 281.684691 281.683726403578 641.2170332917103 222.67084 C11H11ClN2O 1 729.96 +4366 1792 M+Hac-H 108390 227.16387100000003 227.16412035344058 544.0283414867819 168.15002 C7H8N2O3 1 547.94 4367 4826 M+Hac-H 29049 362.303811 362.3025683619993 918.114585939267 303.28996 C14H9NO5S 1 689.31 +4371 2603 M+Hac-H 298413 266.11404699999997 266.1147020317132 665.3175614225717 207.10019599999995 C8H2F5N 1 887.22 +4372 795 M+Hac-H 615555 172.105251 172.1050958885839 465.40387969921795 113.0914 C5H5O3- 1 581.44 4373 2779 M+Hac-H 677125 273.1530206 273.1521656307015 517.9660078882864 214.1391696 C7H9F3O4 1 747.94 4374 3545 M+Hac-H 584139 305.2475942 305.2470941689405 702.8997180773499 246.23374319999996 C14H11FO3 1 719.12 4375 4179 M+Hac-H 89055 332.190212 332.1888030943922 578.396478579396 273.176361 C10H14NNa2O3P 1 640.45 4376 4563 M+Hac-H 82736 350.2732709999999 350.27312516899235 220.47133920161895 291.2594199999999 C13H13N3O5 1 507.83 +4377 4861 M+Hac-H 673726 364.2339109999999 364.23264959215203 568.2057846422563 305.22005999999993 C13H14Cl2O2S 1 1153.15 +4378 2638 M+Hac-H 625541 267.181371 267.1808266262537 282.7221147331178 208.16752 C10H8O5 1 659.59 +4381 7174 M+Hac-H 669000 475.2339110000001 475.23441822496284 652.2495562562353 416.2200600000001 C19H39NOSn 1 596.9 4384 4085 M+Hac-H 381968 328.14827099999997 328.14738798119436 579.6996801025091 269.13442 C12H13BrO2 1 878.54 +4385 1359 M+Hac-H 31252 203.142471 203.14328920645357 569.8724042066233 144.12861999999998 C5H8N2O3 1 608.9 +4388 9095 M+Hac-H 442240 601.4693329999999 601.4704359522517 884.7851457489348 542.4554819999998 C30H24O6P2 1 1061.76 +4390 3944 M+Hac-H 46438 322.19971200000003 322.2011545075011 561.560364634511 263.18586100000005 C12H10NO4P 1 711.44 +4391 3357 M+Hac-H 337316 298.28153100000003 298.28186197484956 899.516545655534 239.26768 C12H17NO4 1 704.49 4392 11138 M+Hac-H 548846 826.9003510000003 826.8987673645179 364.56789028755463 767.8865000000003 C32H35N2O12S4--- 1 768.23 +4393 4277 M+Hac-H 330535 336.3095341999999 336.3103935356657 1017.3195338774763 277.2956831999999 C17H12FN3 1 713.75 +4398 4308 M+Hac-H 487758 338.14155099999994 338.14292198043813 366.50391558298475 279.12769999999995 C10H15BrO4 1 970.86 +4403 2539 M+Hac-H 615851 263.235731 263.23702145290804 842.9466818610194 204.22188 C12H12O3 1 768.12 +4408 4308 M+Hac-H 506223 338.14309099999997 338.14292198043813 366.50391558298475 279.12924 C13H11BrO2 1 935.02 +4409 663 M+Hac-H 445333 165.074092 165.0739683852196 361.61750895590313 106.060241 C3H7O2P 1 302.82 +4411 3660 M+Hac-H 386955 310.091691 310.091893763811 321.6204301785921 251.07784 C7H11BrN2O3 1 336.6 +4414 2643 M+Hac-H 619228 267.267491 267.26781190343775 913.2065748681886 208.25364000000002 C12H16O3 1 682.06 4418 10102 M+Hac-H 272651 702.8262310000002 702.8227467722629 1232.70424244453 643.8123800000002 C31H57N5O9 1 715.15 +4426 2494 M+Hac-H 342232 261.242912 261.2422470086756 843.6026968250779 202.22906099999997 C2H5K2O4P 1 272.62 +4430 8911 M+Hac-H 638410 585.358111 585.3583447545834 1028.90792477976 526.34426 C25H34Br2O2 1 929.01 4431 10180 M+Hac-H 877998 714.791611 714.7923458476282 244.27874410032757 655.77776 C26H24K3N3O10 0 698.89 4432 5147 M+Hac-H 303934 378.2486805999999 378.24776224844913 542.6329375699011 319.2348295999999 C16H8F3NO3 1 918.19 4433 2405 M+Hac-H 35795 257.186551 257.18585285061215 284.41820200971523 198.17270000000002 C9H10O5 1 678.14 +4438 3690 M+Hac-H 552590 311.16807019999993 311.16859912006186 485.3251583614907 252.15421919999994 C8H10F6O2 1 858.04 +4439 6683 M+Hac-H 45015 449.909831 449.9115037244529 739.715676615616 390.89598 C12H7Br3 1 1150.97 +4442 4488 M+Hac-H 534271 346.258091 346.25879729869575 573.9230696094903 287.24424 C15H11O6- 1 701.16 +4446 1708 M+Hac-H 89678 223.17033100000003 223.16942817854056 647.6635578079449 164.15648000000002 C6H12O5 1 397.82 +4447 2274 M+Hac-H 395178 251.1027638 251.1026458058716 289.54685173953885 192.0889128 C3F4O3S 1 761.21 4448 3135 M+Hac-H 168405 288.288251 288.2895803081294 736.3741165014437 229.27439999999999 C14H15NO2 1 822.11 +4449 6297 M+Hac-H 225490 431.3463310000001 431.3463290407351 1003.9095901579224 372.3324800000001 C18H27Cl2N3O 1 598.02 4450 2775 M+Hac-H 323495 273.116131 273.11522700427054 425.6482110138082 214.10228 C9H12BrN 1 670.35 4451 2492 M+Hac-H 33110 261.221611 261.22135315396537 774.244360332739 202.20776 C8H14N2O4 1 132.28 +4453 3576 M+Hac-H 424722 306.267071 306.2675737420734 917.3865479057092 247.25321999999997 C11H13N5O2 1 601.33 +4455 4426 M+Hac-H 230948 343.28569099999993 343.2841924454914 677.8178298871323 284.27183999999994 C10H16N6O4-- 1 683.23 4456 4413 M+Hac-H 736576 343.1198509999999 343.12123094837153 492.4863215989813 284.10599999999994 C11H10BrNO3 1 823.38 4457 6125 M+Hac-H 255447 424.3069909999998 424.3050339444263 685.5411316502054 365.2931399999998 C19H11NO7 0 701.36 4458 6126 M+Hac-H 255447 424.3069909999998 424.3062055180436 697.4785986688845 365.2931399999998 C19H11NO7 0 701.36 4459 10802 M+Hac-H 856552 785.6514110000003 785.6502344709622 1157.7653248947954 726.6375600000002 C34H34N2O16 0 358.44 4462 3572 M+Hac-H 621958 306.228871 306.2273604968853 547.5095333043779 247.21502000000004 C12H23Br 1 1391 +4463 1469 M+Hac-H 8237 210.01563099999998 210.0148819812685 223.7192829822755 151.00178 C4H7BrO 0 726.51 +4468 5231 M+Hac-H 110608 383.215651 383.21682289591456 270.5976950524328 324.2018 C16H15Cl2NO2 1 948.33 +4469 3225 M+Hac-H 671356 292.214011 292.213696138572 895.6354927407538 233.20016 C11H9N2O4- 1 640.32 +4470 2749 M+Hac-H 365964 272.085011 272.0842628632685 269.3641449816885 213.07116 C9H9BrO 1 905.99 4472 2451 M+Hac-H 317268 259.207271 259.20616315536404 710.4529131965415 200.19342 C11H8N2O2 1 653.08 4473 11269 M+Hac-H 876247 841.9926120000001 841.9935504539957 498.28918895920043 782.9787610000001 C39H75O13P 1 1124.71 4476 3446 M+Hac-H 332812 302.06793100000004 302.0690037488444 348.80020231234016 243.05408000000003 C9H7BrO3 1 769.99 +4479 2035 M+Hac-H 345299 239.23747100000003 239.23714727984552 875.4915586370295 180.22362 C9H8O2S 1 704.02 4482 2372 M+Hac-H 553686 256.1258006 256.1261937396631 566.9319966720541 197.1119496 C6H6F3NO3 1 580.09 4485 3289 M+Hac-H 855613 295.189931 295.1902836615391 644.6884198710295 236.17608 C8H12O8 1 580.4 4486 2781 M+Hac-H 339761 273.168852 273.16979667103055 517.7002952787391 214.155001 C9H11O4P 1 740.58 +4488 10001 M+Hac-H 492998 690.5630109999997 690.5616199992046 1055.1035637109671 631.5491599999997 C32H64O4Sn 1 880.79 +4489 5423 M+Hac-H 670640 391.26660100000004 391.26698612553184 727.4939649288356 332.25275000000005 C12H17IOSi 1 1449.15 4490 5424 M+Hac-H 670640 391.26660100000004 391.26802704258057 507.8717766669051 332.25275000000005 C12H17IOSi 1 1449.15 +4491 4094 M+Hac-H 701363 328.2842341999999 328.28443057896936 881.85699875178625 269.2703831999999 C16H12FNO2 1 830.38 +4494 5310 M+Hac-H 489950 387.16274100000004 387.1640075021624 506.51345290523506 328.14889000000005 C12H13IN2O 1 678.74 +4495 7755 M+Hac-H 192993 508.280551 508.28271825255905 601.3089298395879 449.2667 C18H15S3Sb 1 712.24 +4497 1844 M+Hac-H 499336 229.199591 229.1991277782452 658.5641883939459 170.18573999999998 C7H6O3S 1 635.26 +4498 3517 M+Hac-H 121211 304.26283419999993 304.26138154956385 1010.393539941375 245.24898319999994 C14H12FNO2 1 821.87 +4499 2702 M+Hac-H 123928 270.1093206 270.108188119828 202.48462978703327 211.0954696 C6H4F3NO4 1 603.81 +4500 2786 M+Hac-H 473646 273.2224374 273.22125084504535 707.2981538459342 214.20858639999997 C11H12F2O2 1 642.88 +4501 4127 M+Hac-H 537740 330.11657099999996 330.11808722306574 339.8979951296371 271.10272 C10H8Cl2N4O 1 821.3 +4502 3025 M+Hac-H 700887 284.259791 284.2585113126719 789.0480752482811 225.24594 C13H11N3O 1 673.53 +4505 2135 M+Hac-H 491653 244.199231 244.19896778660225 737.2543027042659 185.18537999999998 C9H7N5 1 768.58 4506 2589 M+Hac-H 425731 265.294671 265.29517183299873 322.5121115403787 206.28082 C13H18O2 1 877.14 +4508 4769 M-H+NaCOOH 227007 360.128151 360.1280338961866 297.1879053739434 293.148 C14H10Cl2N2O 0 989.46 +4509 3653 M-H+NaCOOH 427482 309.27645099999995 309.2760089302649 886.3894017859195 242.29629999999997 C13H10N2OS 1 777.26 4510 3024 M-H+NaCOOH 657534 284.222391 284.2220001735177 697.9680015542674 217.24224 C8H11NO4S 1 886.02 +4512 5639 M-H+NaCOOH 98329 401.218291 401.21728135329215 689.0976424279382 334.23814 C15H21Cl2NO3 1 1042.81 +4513 3537 M-H+NaCOOH 143444 305.17729099999997 305.1779327222419 485.2242854747888 238.19714 C11H21Cl2N 0 857.55 +4514 4184 M-H+NaCOOH 550851 332.24205099999995 332.24298699294 513.1699914597858 265.26189999999997 C13H15NO5 1 636.99 4515 3320 M-H+NaCOOH 543120 297.074011 297.07422497464455 261.3173705317448 230.09385999999998 C9H9Cl2N3 1 536.43 4518 2449 M-H+NaCOOH 210209 259.19133100000005 259.1904833078221 612.2628819413504 192.21118000000004 C11H12O3 1 761.64 4519 3620 M-H+NaCOOH 284926 308.26525100000003 308.26653107390206 675.3645800275098 241.28510000000003 C15H15NO2 1 607.23 4520 7393 M-H+NaCOOH 640453 487.267461 487.26522737664493 722.3520286410372 420.28731 C19H21IN2O 1 945.23 4521 3331 M-H+NaCOOH 635904 297.181391 297.180753363714 499.15313185963964 230.20124 C6H6N4O4S 1 653.47 +4522 1422 M-H+NaCOOH 590394 207.07701099999997 207.0766707488824 240.71856684839636 140.09685999999996 C5H4N2O3 1 534.63 4523 3182 M-H+NaCOOH 629397 291.03419099999996 291.03319861192773 304.53833082697804 224.05404 C9H6BrNO 0 732.92 +4524 3075 M-H+NaCOOH 378945 286.173611 286.173042452785 571.4023680580292 219.19346 C11H9NO4 1 597.54 +4525 6214 M-H+NaCOOH 169178 428.224912 428.22693398989003 643.8840103074294 361.24476100000004 C11H15Cl2O3PS2 0 1198.83 +4526 3178 M-H+NaCOOH 615332 290.248431 290.24828420391987 639.2503041379118 223.26827999999998 C12H17NO3 1 433.35 4531 1911 M-H+NaCOOH 41343 232.1444742 232.14494486362508 620.2083037975866 165.16432319999998 C9H8FNO 1 613.77 +4532 4844 M-H+NaCOOH 253840 363.25441419999993 363.2526533894427 605.9868091077733 296.27426319999995 C12H9FN2O4S 1 759.86 +4533 1965 M-H+NaCOOH 251020 235.16993100000002 235.16942378008312 645.9961027726121 168.18978 C9H12O3 1 700.59 4535 3583 M-H+NaCOOH 344309 307.06883100000005 307.06730981646984 301.0170757958027 240.08868 C10H7Cl2N3 1 902.73 +4536 2929 M-H+NaCOOH 568518 280.233691 280.2349184898872 732.3689052971135 213.25354000000004 C9H11NO3S 1 666.29 +4537 1673 M-H+NaCOOH 379931 221.100291 221.10053597091814 688.4872629580973 154.12014 C7H6O4 1 497.65 +4538 2698 M-H+NaCOOH 102025 270.0799774 270.0793152764245 332.2597518683546 203.0998264 C7H3F2NO4 1 655.68 +4539 3029 M-H+NaCOOH 326647 284.32997100000006 284.33103705820065 835.5594672769531 217.34982000000005 C15H23N 1 1012.54 4544 2993 M-H+NaCOOH 307124 283.172971 283.1728348941756 517.9865494710575 216.19282 C11H8N2O3 1 625.78 +4546 2257 M-H+NaCOOH 54002 250.18787100000003 250.18819651798952 828.95352547995 183.20772000000002 C8H13N3O2 1 571.51 +4550 4078 M-H+NaCOOH 289896 328.066112 328.0658587378001 198.23268999052863 261.085961 C7H15Cl2N2O2P 1 668.27 +4551 6899 M-H+NaCOOH 540476 459.29897099999994 459.2992273613071 810.9743811680204 392.3188199999999 C21H23Cl2NO2 0 1223.41 +4554 2212 M-H+NaCOOH 384042 248.16869100000002 248.16802502968 624.4797589467016 181.18854000000002 C9H11NO3 1 616.03 +4555 2922 M-H+NaCOOH 405096 280.170791 280.17204276752346 792.6832399693199 213.19064000000003 C8H11N3O4 1 726.51 4556 6633 M-H+NaCOOH 660832 447.31283099999985 447.3142365975832 533.4098791597055 380.3326799999998 C14H12N4O7S 1 735.63 4557 5172 M-H+NaCOOH 380707 380.1719710000001 380.17036689045665 421.2154079123707 313.19182000000006 C16H13BrN2 1 1165.4 4561 3673 M-H+NaCOOH 644699 310.236531 310.23742926297797 855.4908910187081 243.25638 C11H17NO5 1 633.94 +4562 1529 M-H+NaCOOH 205263 213.1395942 213.13871370744403 433.18788854617014 146.1594432 C7H11FO2 1 798.63 4563 2175 M-H+NaCOOH 16656 246.19587100000004 246.19698297120644 267.62533079846423 179.21572000000003 C10H13NO2 1 744.19 4568 3382 M-H+NaCOOH 285656 299.256951 299.2580543716901 893.8423291791003 232.2768 C10H20N2O4 1 597.04 +4574 6473 M-H+NaCOOH 227042 440.29893100000015 440.29993772365333 607.5018729544597 373.3187800000001 C21H22Cl2N2 0 773.57 +4575 3200 M-H+NaCOOH 230852 291.194971 291.19530351319924 604.9788977184571 224.21481999999997 C13H8N2O2 1 596.14 +4576 1476 M-H+NaCOOH 407523 210.120711 210.12069953785172 535.6887012500496 143.14056 C6H9NO3 0 128.72 4584 3477 M-H+NaCOOH 203915 303.1248406 303.12630680367533 396.45820748544907 236.14468960000002 C9H7F3O4 1 818.01 +4585 2175 M-H+NaCOOH 445873 246.19587100000004 246.19698297120644 267.62533079846423 179.21572000000003 C10H13NO2 1 744.37 4592 1928 M-H+NaCOOH 849101 233.154051 233.1534942301812 513.2898962729495 166.1739 C9H10O3 1 680.8 4593 5022 M-H+NaCOOH 673726 372.20021099999997 372.2012908266091 499.1828177424643 305.22005999999993 C13H14Cl2O2S 0 1153.15 +4594 1680 M-H+NaCOOH 689319 221.18971100000002 221.19008465211232 1277.8648966082885 154.20956 C8H14N2O 1 642.88 +4595 1681 M-H+NaCOOH 689319 221.18971100000002 221.19020967062926 645.7313960175578 154.20956 C8H14N2O 1 642.88 +4598 1646 M-H+NaCOOH 449527 219.173831 219.17453073474604 631.2807474044613 152.19368 C8H12N2O 1 602.09 +4602 916 M-H+NaCOOH 262474 179.089572 179.08980529143923 346.0470626398739 112.109421 C6H9P 1 672.71 +4603 3489 M-H+NaCOOH 24715 303.2487309999999 303.24895886523734 889.8763498671526 236.26857999999993 C15H12N2O 1 674.1 +4604 2713 M-H+NaCOOH 388398 270.18081099999995 270.18085701223004 200.04364914727418 203.20065999999997 C9H9N5O 1 616.14 4606 2991 M-H+NaCOOH 728317 283.1534438 283.15421115979143 603.2502088842504 216.1732928 C8H12F4O2 1 774.47 +4609 3253 M-H+NaCOOH 37930 293.335191 293.33497911630104 780.3483609788509 226.35504000000003 C14H26O2 1 1111.1 4612 3178 M-H+NaCOOH 391145 290.248431 290.24828420391987 639.2503041379118 223.26827999999998 C12H17NO3 1 736.79 +4613 3648 M-H+NaCOOH 504959 309.206951 309.20577001875677 598.0859885763889 242.22679999999997 C14H10O4 1 772.22 +4614 5500 M-H+NaCOOH 405197 394.3147309999998 394.31512740643586 873.4420927283813 327.33457999999985 C17H17N3O4 1 623.11 +4616 5979 M-H+NaCOOH 671367 417.3050109999999 417.30310190245496 534.0478324858509 350.3248599999999 C19H14N2O5 1 892.06 +4617 2170 M-H+NaCOOH 190109 246.15281100000004 246.15270138376957 431.7165428903427 179.17266000000004 C9H9NO3 1 666.32 4622 4133 M-H+NaCOOH 46438 330.166012 330.1662236335434 308.1773031833418 263.18586100000005 C12H10NO4P 1 711.44 4629 2686 M-H+NaCOOH 484539 269.20439419999997 269.20516303863724 489.0515271327743 202.22424319999996 C13H11FO 1 1080.08 +4631 2741 M-H+NaCOOH 227228 271.20203100000003 271.2014931167482 381.7230003548446 204.22188000000003 C12H12O3 1 744.82 4637 1908 M-H+NaCOOH 571542 232.132831 232.13290186451889 464.84612465142277 165.15268 C6H7N5O 0 297.37 +4638 5055 M-H+NaCOOH 99755 373.2955109999999 373.2944640024739 626.1930192132531 306.31535999999994 C18H14N2O3 1 890.99 +4641 2922 M-H+NaCOOH 434588 280.170791 280.17204276752346 792.6832399693199 213.19064 C8H11N3O4 1 50.17 +4642 2112 M-H+NaCOOH 260889 243.17041419999998 243.17037781604364 371.13189882475467 176.19026319999998 C10H9FN2 1 718.93 +4643 1813 M-H+NaCOOH 367738 228.13753100000002 228.138488958766 702.2547283611245 161.15738000000002 C9H7NO2 1 679.35 4644 2759 M-H+NaCOOH 669589 272.16857419999997 272.16822530148113 536.645268309844 205.1884232 C10H8FN3O 1 651.86 4646 3835 M-H+NaCOOH 185823 317.19602059999994 317.196146069777 584.2272760923676 250.21586959999993 C14H9F3O 1 953.98 +4647 2741 M-H+NaCOOH 615851 271.20203100000003 271.2014931167482 381.7230003548446 204.22188 C12H12O3 1 768.12 +4650 4581 M-H+NaCOOH 274612 351.20057099999997 351.2021396178888 474.4425892570945 284.22041999999993 C15H8O6 1 784.78 +4655 5385 M-H+NaCOOH 570079 390.17667200000005 390.1756758854416 502.81839224269197 323.196521 C9H14N3O8P 0 195.8 +4656 2497 M-H+NaCOOH 595620 262.09446379999997 262.0937575717818 268.9174641223052 195.1143128 C7H5F4NO 1 682.18 +4657 3719 M-H+NaCOOH 409741 312.253951 312.25289513171737 698.5086083139958 245.27379999999997 C14H15NO3 1 683.11 4659 2513 M-H+NaCOOH 440588 262.238331 262.2376945251248 1023.4639204793503 195.25817999999998 C11H17NO2 1 368.91 +4660 4505 M-H+NaCOOH 637237 347.25669099999993 347.25795473817874 625.0539129892377 280.27653999999995 C13H16N2O5 1 426.68 4661 4224 M-H+NaCOOH 720010 334.17631200000005 334.17565398989655 304.82292912400703 267.196161 C7H10NO6PS 1 264.69 +4662 2048 M-H+NaCOOH 513488 240.13337099999998 240.13445913012578 204.53831315993816 173.15321999999998 C3H3N5O2S 1 601.37 4663 2785 M-H+NaCOOH 438738 273.217911 273.2172363491564 497.7078400614246 206.23776 C12H14O3 1 846.68 +4664 4529 M-H+NaCOOH 729595 348.28605099999993 348.28721177603285 840.3594672613303 281.3058999999999 C17H15NO3 1 1062.04 4667 1163 M-H+NaCOOH 43249 192.10543099999998 192.1054513830712 323.7206921846609 125.12527999999998 C6H7NO2 1 635.24 +4668 5693 M-H+NaCOOH 122738 403.31819099999984 403.31981328196247 740.7154023720442 336.3380399999998 C20H16O5 1 786.84 +4671 4636 M-H+NaCOOH 490257 354.1298509999999 354.12854678391045 213.88507179456423 287.14969999999994 C12H15BrO3 0 918.77 +4679 1746 M-H+NaCOOH 325677 225.132051 225.13153224851038 447.4704024128247 158.15189999999998 C7H10O4 1 678.9 +4681 4824 M-H+NaCOOH 391512 362.26803099999995 362.2664025944398 736.2862599848947 295.2878799999999 C14H17NO6 1 760.46 4682 2429 M-H+NaCOOH 443595 258.229711 258.2296758299411 748.6985916909454 191.24956 C10H9NOS 1 571.05 4683 3083 M-H+NaCOOH 928 286.259731 286.26092507423346 740.736901629329 219.27957999999998 C13H17NO2 1 703.98 +4684 3233 M-H+NaCOOH 42856 293.080387 293.0799741874971 264.4976848041574 226.100236 C8H3F5O2 1 958.44 4686 3484 M-H+NaCOOH 580566 303.19425739999997 303.1952522044803 654.2634756425147 236.21410639999996 C13H10F2O2 1 858.76 +4688 9007 M-H+NaCOOH 638410 593.3244109999999 593.3255750582503 744.1689952595923 526.34426 C25H34Br2O2 0 929.01 +4689 3178 M-H+NaCOOH 288279 290.248431 290.24828420391987 639.2503041379118 223.26827999999998 C12H17NO3 1 539.59 +4690 2915 M-H+NaCOOH 167929 280.1179406 280.118032880836 612.2569361682051 213.1377896 C4H2F3N3O2S 1 603.17 4692 7028 M-H+NaCOOH 321399 467.22457999999995 467.22653898945407 618.2613377941134 400.24442899999997 C15H21IN2O3 1 651.78 4693 3253 M-H+NaCOOH 634619 293.335191 293.33497911630104 780.3483609788509 226.35504000000003 C14H26O2 1 974.9 +4694 1861 M-H+NaCOOH 124019 230.153411 230.15417296633376 685.5611630315489 163.17326 C9H9NO2 1 637.37 +4695 1625 M-H+NaCOOH 562621 218.146011 218.14672872565288 520.7302369948391 151.16585999999998 C7H9N3O 1 165.09 +4696 1011 M-H+NaCOOH 7781 183.138431 183.13815180575583 515.1358965269345 116.15827999999999 C6H12O2 1 721.88 +4698 2966 M-H+NaCOOH 566806 282.1519806 282.15281823688423 437.2514812674219 215.17182959999997 C10H8F3NO 1 777.04 +4699 4383 M-H+NaCOOH 728122 341.2521109999999 341.2512808858155 649.4784850230042 274.2719599999999 C14H14N2O4 1 806.53 +4705 3700 M-H+NaCOOH 84490 311.31225100000006 311.31369476890427 1058.9045080387828 244.33210000000005 C15H20N2O 1 712.11 +4706 1097 M-H+NaCOOH 295296 188.11673100000002 188.11664403205725 407.0246386965901 121.13658 C7H7NO 1 273.06 +4713 1655 M-H+NaCOOH 632831 220.11883099999997 220.11946794075098 195.43063617857084 153.13867999999997 C6H7N3O2 1 256.82 +4714 2130 M-H+NaCOOH 542454 244.15517419999998 244.15440483525094 389.6557975052488 177.17502319999997 C10H8FNO 0 382.89 +4715 4888 M-H+NaCOOH 661174 365.2702109999999 365.27101468833234 649.8962851279039 298.29005999999987 C17H14O5 1 698.49 +4719 8395 M-H+NaCOOH 373993 549.449873 549.4485467826219 1091.2980588917937 482.469722 C28H20O2P2S 1 1018.47 +4720 2832 M-H+NaCOOH 414176 275.27839099999994 275.2774749106858 837.2686972674027 208.29823999999996 C16H16 1 1047.49 +4721 2213 M-H+NaCOOH 512136 248.17199100000002 248.17257178509527 606.560172104795 181.19184 C8H11N3O2 1 474.33 +4722 3293 M-H+NaCOOH 387391 295.226731 295.2265824425732 683.2243059552686 228.24657999999997 C13H12N2O2 1 699.78 +4724 3176 M-H+NaCOOH 325087 290.231811 290.23235983137363 593.3159830448697 223.25166 C9H9N3O2S 0 632.68 4725 2167 M-H+NaCOOH 558536 246.11635099999998 246.1161569507477 467.29252779185276 179.13619999999997 C6H5N5O2 1 270.14 +4726 3539 M-H+NaCOOH 579790 305.1967341999999 305.1956749248693 542.6601605718326 238.21658319999995 C14H7FN2O 1 774.35 +4727 1058 M-H+NaCOOH 539006 186.099311 186.10017119649154 230.60535482283555 119.11915999999998 C4H9NO3 1 65.6 4729 4425 M-H+NaCOOH 207268 343.26799099999994 343.2672647889252 698.7259187656987 276.28783999999996 C14H16N2O4 1 678.26 4734 4586 M-H+NaCOOH 230948 351.251991 351.25060775742514 874.4825058879132 284.27183999999994 C10H16N6O4-- 1 683.23 4737 2877 M-H+NaCOOH 614240 278.08764199999996 278.08790385810283 325.32462596067865 211.10749099999998 C7H9NaO4P+ 1 93.17 +4738 11230 M-H+NaCOOH 259708 837.2299910000002 837.2337189611299 1104.930401253045 770.2498400000002 C39H36ClN5O8S 1 1053.21 4740 3079 M-H+NaCOOH 254026 286.216671 286.21614065698174 803.013443709219 219.23652 C12H13NO3 1 802.15 +4741 8644 M-H+NaCOOH 44003 565.503391 565.5017574389535 1094.7834429161298 498.52323999999993 C30H26O7 1 1061.35 +4744 3762 M-H+NaCOOH 621958 314.1951710000001 314.1960397053519 491.1096794416399 247.21502000000004 C12H23Br 0 1391 +4745 2964 M-H+NaCOOH 428165 282.1337374 282.13342243162083 411.8749458651725 215.1535864 C9H7F2NO3 1 703.58 +4746 3695 M-H+NaCOOH 523830 311.23296059999996 311.232876572383 589.4172866006769 244.25280959999995 C13H15F3O 1 996.91 4747 6453 M-H+NaCOOH 302708 439.805571 439.8044453759097 1262.3144643117878 372.82541999999995 C18H13ClN2O3S 1 745.51 4748 2073 M-H+NaCOOH 530777 241.1545342 241.15482254963496 296.27248268322194 174.1743832 C10H7FN2 1 701.83 4749 4335 M-H+NaCOOH 495732 339.234691 339.235953993484 604.6927154918378 272.25454 C11H16N2O6 1 519.18 4751 6574 M-H+NaCOOH 385846 445.241991 445.2407270051862 760.3396612869162 378.26184 C21H16BrNO 1 1031.83 4752 6575 M-H+NaCOOH 385846 445.241991 445.2432499177988 525.2572435742226 378.26184 C21H16BrNO 1 1031.83 +4753 2558 M-H+NaCOOH 56287 264.168091 264.16749557783504 560.9235201078059 197.18794 C9H11NO4 1 519.44 +4754 3399 M-H+NaCOOH 671356 300.180311 300.1807412811221 404.15498020219553 233.20016 C11H9N2O4- 1 640.32 4755 1781 M-H+NaCOOH 476089 227.065367 227.06630456162344 225.25424309313482 160.085216 C5H5F5 1 575.76 +4756 4928 M-H+NaCOOH 496013 367.37705100000005 367.3759333681083 1064.3942968236272 300.3969000000001 C21H20N2 1 1019.77 +4757 3547 M-H+NaCOOH 84155 305.26461099999995 305.26422743043355 920.8539267593213 238.28445999999997 C15H14N2O 1 669.48 4759 11476 M-H+NaCOOH 864075 868.6543510000002 868.6554682762295 1223.8370643552807 801.6742000000003 C46H30Cl2N6O4 0 1694.87 4760 2088 M-H+NaCOOH 109342 242.121051 242.12131971894559 392.95337177597196 175.1409 C9H5NO3 1 619.6 +4761 8548 M-H+NaCOOH 290512 558.7527110000002 558.7525191860609 227.42257123818777 491.77256000000017 C28H49N3O2S 1 831.87 +4762 4606 M-H+NaCOOH 644206 352.319351 352.3206082935992 902.8721368076748 285.33919999999995 C20H15NO 1 1050.46 +4763 2637 M-H+NaCOOH 317268 267.17357100000004 267.1739435890819 852.3159949412518 200.19342 C11H8N2O2 1 653.08 +4764 5470 M-H+NaCOOH 707190 393.28241100000014 393.2822702153962 725.2692194916555 326.3022600000001 C15H29Cl2NO2 1 1060.62 +4765 5471 M-H+NaCOOH 707190 393.28241100000014 393.28331384129046 754.1401143303245 326.3022600000001 C15H29Cl2NO2 1 1060.62 +4766 1746 M-H+NaCOOH 306340 225.132051 225.13153224851038 447.4704024128247 158.15189999999998 C7H10O4 1 490.95 +4768 5076 M-H+NaCOOH 672901 374.24867100000006 374.2474134446069 869.0009913098183 307.2685200000001 C17H23Br 1 1200.78 +4769 2491 M-H+NaCOOH 339715 261.20721100000003 261.20612888330527 660.0402570515682 194.22706000000005 C11H14O3 1 789.77 4770 4654 M-H+NaCOOH 169395 354.298771 354.29941062289674 774.6426204036159 287.31862 C17H13N5 1 870.02 4771 3618 M-H+NaCOOH 50656 308.220651 308.2220535663714 633.6688843770772 241.2405 C11H15NO5 1 661.18 4772 2404 M-H+NaCOOH 244553 257.175451 257.17490981471315 551.2211461306413 190.1953 C11H10O3 1 783.2 @@ -845,186 +2468,487 @@ 4777 1181 M-H+NaCOOH 31238 193.133251 193.1335717394939 241.94180631545046 126.1531 C7H10O2 1 651.49 4780 3485 M-H+NaCOOH 197725 303.200831 303.19938196669517 393.06162897374315 236.22068 C12H12O5 1 783.35 4781 1673 M-H+NaCOOH 426056 221.100291 221.10053597091814 688.4872629580973 154.12014 C7H6O4 1 612.15 +4783 2382 M-H+NaCOOH 419225 256.190691 256.1907921424283 563.4907308025302 189.21054 C11H11NO2 0 627.04 +4784 3178 M-H+NaCOOH 296232 290.248431 290.24828420391987 639.2503041379118 223.26828 C12H17NO3 1 524.61 +4785 6343 M-H+NaCOOH 268339 433.34417099999985 433.34279462452884 729.9761790803409 366.3640199999998 C21H18O6 0 970.86 +4786 2620 M-H+NaCOOH 37745 266.336291 266.33615176318233 323.05527540347543 199.35614 C11H21NS 1 1153.31 4787 3480 M-H+NaCOOH 855613 303.15623100000005 303.1554422520966 398.15506751616675 236.17608 C8H12O8 1 580.4 4788 3027 M-H+NaCOOH 88983 284.28691100000003 284.2855246222639 908.4915904947827 217.30676000000003 C14H19NO 1 691.12 4790 3243 M-H+NaCOOH 26536 293.16141100000004 293.16089766153607 454.09825859849684 226.18126 C7H14O8 1 262.81 4791 2943 M-H+NaCOOH 339761 281.135152 281.13609134690216 571.9795550843562 214.155001 C9H11O4P 1 740.58 +4799 4149 M-H+NaCOOH 614276 331.0616610000001 331.06260831179947 196.306382234871 264.08151000000004 C7H6Cl2NaO3S+ 1 775.35 +4800 4069 M-H+NaCOOH 635545 327.23566059999996 327.23575661773674 581.9978800891113 260.2555095999999 C12H15F3N2O 1 572.05 +4801 4952 M-H+NaCOOH 23307 369.156511 369.15489660449134 403.0158759029032 302.17636000000005 C12H9Cl2NO2S 1 987.92 +4803 3119 M-H+NaCOOH 365867 288.153031 288.151609504637 464.16813413502217 221.17288 C8H7N5O3 0 585.3 +4804 3120 M-H+NaCOOH 365867 288.153031 288.1531423763151 501.0372566009518 221.17288 C8H7N5O3 1 585.3 +4807 4505 M-H+NaCOOH 505962 347.2582309999999 347.25795473817874 625.0539129892377 280.27807999999993 C16H12N2O3 1 936.51 +4809 7618 M-H+NaCOOH 433330 499.40225099999964 499.40235174162603 1150.70731734611 432.42209999999966 C25H20O7 0 884.86 4811 2443 M-H+NaCOOH 553532 259.133411 259.1330839354588 604.1913314769471 192.15326000000002 C3H4N4O4S 1 565.91 4812 1886 M-H+NaCOOH 699775 231.15977099999998 231.1591378720228 520.4552145159998 164.17961999999997 C5H8O4S 1 586.78 4813 2072 M-H+NaCOOH 81566 241.14312059999995 241.14360333767567 494.30980611815227 174.16296959999994 C9H9F3 1 953.7 +4814 2824 M-H+NaCOOH 178040 275.16921420000006 275.167859951795 373.0602181220081 208.18906320000002 C10H9FN2O2 1 679.28 +4820 3977 M-H+NaCOOH 730005 323.29483419999997 323.2940642929903 870.0767807331916 256.31468319999993 C17H17FO 1 1141.56 +4831 1628 2M+2Cl 251276 218.175362 218.17528497714633 400.3378009652784 183.20596 C12H9NO 1 892.67 +4833 1227 2M+2Cl 371666 196.16984200000002 196.16975099046698 791.4462868857229 161.20044000000001 C10H11NO 1 663.3 +4834 2923 2M+2Cl 522937 280.1753252 280.1747317953899 520.2077677934149 245.20592319999997 C13H8FNO3 1 780.35 4845 2113 2M+2Cl 661921 243.18328200000002 243.18243408716535 247.66942258538458 208.21388000000002 C10H12N2O3 1 342.95 4847 5766 2M+2Cl 66102 407.25188199999985 407.2514232307374 638.4425891856029 372.28247999999985 C18H12O9 1 752.98 +4848 2783 2M+2Cl 314655 273.187323 273.1886023065745 419.32926049513816 238.21792100000002 C9H19O5P 1 758.81 +4849 2808 2M+2Cl 344309 275.058082 275.05831185349047 462.11522468568717 240.08868 C10H7Cl2N3 1 902.73 +4851 795 2M+2Cl 116998 172.105382 172.1050958885839 465.40387969921795 137.13598 C7H7NO2 1 245.93 +4852 5802 2M+2Cl 122516 409.3123619999998 409.31160034550567 934.4700730312397 374.3429599999998 C22H14O6 1 808.34 +4853 5803 2M+2Cl 122516 409.3123619999998 409.3138203646163 641.713026625175 374.3429599999998 C22H14O6 1 808.34 4855 7492 2M+2Cl 128922 493.09390199999996 493.09617767940085 466.8532840052393 458.12449999999995 C15H10Br2N2O3S 1 1013.2 +4856 3349 2M+2Cl 579933 298.18403159999997 298.1838250528029 549.0367250896786 263.21462959999997 C14H8F3NO 1 871.37 4857 8998 2M+2Cl 615242 592.3136819999997 592.3145211796121 379.70110159511 557.3442799999998 C30H42NiO6 1 975.47 4858 8999 2M+2Cl 615242 592.3136819999997 592.3164449902192 400.61388628683983 557.3442799999998 C30H42NiO6 1 975.47 4859 6194 2M+2Cl 540476 427.2882219999999 427.28669398597697 589.4080090916102 392.3188199999999 C21H23Cl2NO2 1 1223.41 +4861 386 2M+2Cl 620894 146.06810199999998 146.06816089581895 515.8818710301963 111.09869999999998 C5H5NO2 1 243.7 +4864 5928 2M+2Cl 660832 415.3020819999998 415.3038690040635 673.5107601106951 380.3326799999998 C14H12N4O7S 1 735.63 4865 2854 2M+2Cl 5602 276.22968519999995 276.22972731666 873.467584382001 241.26028319999992 C15H12FNO 1 809.27 4866 7372 2M+2Cl 518021 486.268992 486.2694107092694 658.2075184764219 451.29959 C23H18INO 1 1114.68 +4869 1718 2M+2Cl 203625 224.0791348 224.0784278031693 740.7467699833481 189.1097328 C8H3F4N 1 828.35 +4870 1719 2M+2Cl 203625 224.0791348 224.078428299604 1251.0374993436599 189.1097328 C8H3F4N 1 828.35 +4871 1854 2M+2Cl 120162 230.10170200000002 230.10233431670528 297.04238064712905 195.13230000000001 C7H5N3O4 1 642.33 +4872 2689 2M+2Cl 103131 269.2254019999999 269.2266498828559 668.1113562776329 234.25599999999991 C14H10N4 1 635.83 +4874 3844 2M+2Cl 21715 317.3046619999999 317.3045820188581 947.9514215323459 282.3352599999999 C21H14O 1 1136.62 +4875 1931 2M+2Cl 383684 233.19000199999996 233.19023176981037 644.541322535909 198.22059999999996 C12H10N2O 1 680.4 +4876 3097 2M+2Cl 622530 287.149722 287.14896583985995 456.709984404163 252.18032 C10H8N2O6 1 44.76 +4878 4826 2M+2Cl 627507 362.30398199999996 362.3025683619993 918.114585939267 327.33457999999996 C17H17N3O4 1 722.85 +4881 11676 2M+2Cl 599522 901.952162 901.9489577868338 788.5316223272157 866.9827600000001 C40H54N10O10S 1 654.23 4882 5825 2M+2Cl 231390 410.3452419999999 410.34700248992414 863.3197684914016 375.3758399999999 C18H21N3O6 1 723.81 +4883 4938 2M+2Cl 97481 368.19062199999996 368.1912007016407 466.02032468235683 333.22121999999996 C20H13Br 1 1098.8 +4884 2284 2M+2Cl 675727 251.20044200000004 251.20058981473622 684.8593469591915 216.23104000000004 C10H16O5 1 655.68 +4885 3960 2M+2Cl 196682 323.11266119999993 323.1125462935209 505.48916456325145 288.14325919999993 C10H6F6O3 1 844.76 +4886 3175 2M+2Cl 702569 290.21986200000003 290.2195867145069 608.0827370276083 255.25046 C9H9N3O4S 1 676.05 +4889 3250 2M+2Cl 309289 293.238662 293.2387655777486 664.1638061874594 258.26926 C15H14O4 1 705.44 4894 1628 2M+2Cl 29662 218.17536199999998 218.17528497714633 400.3378009652784 183.20595999999998 C12H9NO 1 743.2 +4896 1645 2M+2Cl 102116 219.15858200000002 219.1590877815685 484.9291710175361 184.18918000000002 C9H12O4 1 703.51 +4900 1264 2M+2Cl 170630 198.185722 198.1854923493127 861.2370251735308 163.21632 C10H13NO 1 470.09 4902 2303 2M+2Cl 526615 252.233102 252.2322390411483 751.383912471611 217.2637 C13H15NO2 1 804.58 +4903 2689 2M+2Cl 729951 269.2254019999999 269.2266498828559 668.1113562776329 234.25599999999994 C14H10N4 1 769.96 +4904 1440 2M+2Cl 45751 208.08250200000003 208.08213305963594 850.81260741134 173.11310000000003 C4H10Cl2OSi 1 909.09 4908 3139 2M+2Cl 617576 289.04942200000005 289.04850061604037 235.05214723117587 254.08002000000002 C10H8BrNO2 1 670.55 +4909 6264 2M+2Cl 494519 430.2640443999998 430.2640282430617 540.0272461772838 395.2946423999998 C16H8F7NOS 1 723.76 +4911 1794 2M+2Cl 20695 227.183882 227.18339167843288 633.372632847969 192.21448 C10H12N2O2 1 137.53 4912 2851 2M+2Cl 275469 276.2048683999999 276.2036502375742 658.5063782241784 241.23546639999992 C15H9F2N 1 1072.49 +4913 2690 2M+2Cl 738158 269.24700199999995 269.24737046956244 1016.4474057404693 234.27759999999998 C10H10N4OS 1 627.31 +4914 1264 2M+2Cl 13198 198.185722 198.1854923493127 861.2370251735308 163.21632 C10H13NO 1 690.12 4917 1079 2M+2Cl 361759 187.116722 187.11602674497595 361.55614201520063 152.14732 C8H8O3 1 671.77 +4919 5132 2M+2Cl 443498 377.2674219999999 377.2672894197799 782.9813765798153 342.2980199999999 C15H18O9 1 761.92 4920 5464 2M+2Cl 861953 393.2253019999999 393.223667575045 570.7682928243896 358.2558999999999 C17H10O9 1 647.21 +4921 5465 2M+2Cl 861953 393.2253019999999 393.2247120467995 602.3688830006151 358.2558999999999 C17H10O9 1 647.21 4922 5466 2M+2Cl 861953 393.2253019999999 393.22680439834755 554.3573434643326 358.2558999999999 C17H10O9 1 647.21 +4923 11936 2M+2Cl 258375 937.9743620000004 937.9720972300846 782.3665409217339 903.0049600000004 C46H54N4O13S 1 999.63 +4924 3816 2M+2Cl 235758 316.321802 316.3204938582155 810.2639712139228 281.3524 C8H15N3O4S2 1 499.69 +4925 3876 2M+2Cl 274612 319.18982199999994 319.1904790739813 676.7311183850214 284.22041999999993 C15H8O6 1 784.78 4926 1708 2M+2Cl 478525 223.170422 223.16942817854056 647.6635578079449 188.20102 C7H8O4S 1 635.55 4927 4338 2M+2Cl 533128 339.2673419999999 339.2678140385759 707.0522127782419 304.2979399999999 C15H16N2O5 1 643.14 +4930 5251 2M+2Cl 220366 384.207102 384.2088091817226 733.9619518238437 349.2377 C15H10Cl2N4S 1 1001.01 4931 1450 2M+2Cl 94204 208.180542 208.1809244509201 198.3446236398889 173.21114 C11H11NO 1 831.31 4932 3847 2M+2Cl 46338 318.119282 318.1180734690112 319.57136611544206 283.14988 C14H12Cl2O2 1 901.39 +4933 974 2M+2Cl 102037 181.158502 181.15868140606224 949.3716267270293 146.1891 C9H10N2 1 660.9 +4935 5540 2M+2Cl 192207 396.224082 396.22277141896643 547.1247983874811 361.25468 C13H17BrN2O3S 1 711.5 +4940 2758 2M+2Cl 269929 272.15950300000003 272.1591362473224 294.60328734110294 237.19010100000003 C8H16NO5P 1 689.99 +4942 5391 2M+2Cl 111220 390.2297219999998 390.23049340116773 650.8892729137659 355.2603199999998 C12H13N5O8 1 410.62 +4944 1639 2M+2Cl 702326 219.1057316 219.1050247340982 443.7811036334622 184.1363296 C5H3F3O2S 1 833.91 +4946 3851 2M+2Cl 251412 318.17213159999994 318.17323420771453 533.7721661699983 283.20272959999994 C13H8F3NO3 1 791.68 +4947 1846 2M+2Cl 411127 229.222902 229.2222710070985 780.4946005881062 194.2535 C9H10N2OS 1 680.28 +4948 2344 2M+2Cl 928 254.24898199999998 254.24781484398915 849.1804377762122 219.27957999999998 C13H17NO2 1 703.98 4949 4947 2M+2Cl 713183 368.8648220000001 368.8639846799967 1215.521379999245 333.8954200000001 C20H28ClNO 1 812.4 +4950 4339 2M+2Cl 51265 339.27064199999995 339.27033420144403 744.2973926365282 304.30123999999995 C14H16N4O4 1 641.96 +4954 4276 2M+2Cl 182415 336.28984199999996 336.2881986550919 813.5795390339762 301.32043999999996 C14H11N3O3S 1 805.5 +4955 1373 2M+2Cl 126699 204.104182 204.10509667241126 443.72039886122485 169.13478 C7H7NO4 1 661.04 +4956 4763 2M+2Cl 855601 359.29674199999994 359.29811762682766 750.4175310524172 324.32733999999994 C19H16O5 1 764.12 +4957 9296 2M+2Cl 59917 617.5230251999999 617.5210509572772 814.839291371708 582.5536232 C28H23FN2O9S 1 963.66 4958 9297 2M+2Cl 59917 617.5230251999999 617.5251693738903 809.763259143147 582.5536232 C28H23FN2O9S 1 963.66 4959 2559 2M+2Cl 10453 264.17028200000004 264.1700846921084 292.53147396812494 229.20088 C6H7CaNO6 1 113.71 +4960 3652 2M+2Cl 728122 309.2413619999999 309.2419656925808 685.0321748900517 274.2719599999999 C14H14N2O4 1 806.53 +4961 3347 2M+2Cl 710329 298.172362 298.1727695004561 512.7338043731509 263.20296 C12H9NO6 1 732.56 +4963 1337 2M+2Cl 233925 202.131362 202.13097269980523 565.626525440715 167.16196 C8H9NO3 1 579.83 +4965 3745 2M+2Cl 431859 313.27312199999994 313.27343566406614 926.6784663712755 278.30371999999994 C14H18N2O4 1 442.18 +4966 1064 2M+2Cl 114301 186.13196200000002 186.13232832318837 276.6567618835226 151.16256 C8H9NO2 1 618.35 +4967 1408 2M+2Cl 738588 206.12006200000002 206.12097340612675 406.77732468484754 171.15066000000002 C7H9NO4 1 532.01 4969 3746 2M+2Cl 634554 313.321022 313.3210960883018 915.8385112767371 278.35162 C17H18N4 1 852.62 +4977 3420 2M+2Cl 138184 301.092062 301.0931798426316 354.4660221848382 266.12266 C13H9Cl2NO 1 949.53 4978 759 2M+2Cl 439935 170.09280199999998 170.09249888256636 190.63082855851957 135.12339999999998 C6H5N3O 1 322.63 4980 3631 2M+2Cl 636794 309.08058199999994 309.08177090399636 544.9966264517583 274.11117999999993 C10H12BrNO3 1 821.41 +4981 1466 2M+2Cl 590716 209.16530200000005 209.1649025307554 264.810913918013 174.19590000000005 C11H10O2 1 889.09 +4982 7760 2M+2Cl 671742 509.114762 509.1125668670286 924.9510971144382 474.14536 C20H14Br2N2O2 1 1113.37 +4984 2494 2M+2Cl 255812 261.2431619999999 261.2422470086756 843.6026968250779 226.27375999999992 C14H14N2O 1 104.3 +4989 1426 2M+2Cl 304907 207.112962 207.11280451876408 287.97188817867396 172.14356 C8H4N4O 1 677.56 +4990 2254 2M+2Cl 513018 250.17416200000002 250.1737350575201 595.3202840471147 215.20476000000002 C12H9NO3 1 503.93 +4991 5620 2M+2Cl 255447 400.2625419999998 400.2634987633247 901.4580813493646 365.2931399999998 C19H11NO7 1 701.36 4992 991 2M+2Cl 437704 182.100202 182.10071509843456 294.7234217304998 147.1308 C8H5NO2 1 690.78 4995 1390 2M+2Cl 207056 205.10718520000003 205.10667080069956 531.3664101983484 170.13778320000003 C8H7FO3 1 682.6 4996 1746 2M+2Cl 488364 225.1317716 225.13153224851038 447.4704024128247 190.1623696 C9H9F3O 1 878.38 4997 802 2M+2Cl 553358 172.151742 172.15259769005954 171.6584572333727 137.18234 C7H11N3 1 533.07 +5012 5577 2M+2Cl 641807 398.16221159999986 398.16027658384223 175.86783450269127 363.19280959999986 C14H10BrF3OS 1 1295.91 5016 2002 2M+2Cl 327377 237.22176199999998 237.22123727630404 988.1005305587826 202.25235999999998 C12H14N2O 1 660.51 5017 4566 2M+2Cl 230113 350.3411820000001 350.3413237560643 980.7785562709621 315.3717800000001 C19H17N5 1 898.73 5018 3575 2M+2Cl 241772 306.265143 306.26361793070424 846.780640254251 271.295741 C12H22N3O2P 1 606.88 +5019 4500 2M+2Cl 8739 347.2065219999999 347.2062197058241 526.1626719306668 312.2371199999999 C14H8N4O5 1 716.36 +5020 816 2M+2Cl 604828 173.133202 173.13269520391822 490.5095009024982 138.1638 C8H10O2 1 670.45 +5025 7261 2M+2Cl 864995 480.20568399999996 480.2055634853536 405.85803452476364 445.23628199999996 C11H19N4O11P2- 1 621.59 +5032 2229 2M+2Cl 339761 249.124403 249.12338333831366 345.9864784795116 214.155001 C9H11O4P 1 740.58 5037 4831 2M+2Cl 489950 363.11829200000005 363.11829246048507 448.05623925976863 328.14889000000005 C12H13IN2O 1 678.74 +5038 7342 2M+2Cl 192993 484.236102 484.23685852458846 395.06111078552556 449.2667 C18H15S3Sb 1 712.24 5039 7343 2M+2Cl 192993 484.236102 484.2382902090017 487.54471448371737 449.2667 C18H15S3Sb 1 712.24 +5040 3504 2M+2Cl 636635 304.150182 304.15064236106906 286.17398428176307 269.18077999999997 C12H17BrN2 1 435.13 5041 3994 2M+2Cl 40326 324.1910030000001 324.1907871537644 368.06499232548464 289.2216010000001 C11H16NO6P 1 808.82 +5043 1844 2M+2Cl 477775 229.19976200000002 229.1991277782452 658.5641883939459 194.23036000000002 C10H14N2O2 1 597.77 +5047 2111 2M+2Cl 178040 243.15846520000002 243.1591313575853 482.186949051071 208.18906320000002 C10H9FN2O2 1 679.28 +5048 2656 2M+2Cl 563752 268.1646252 268.1648823846275 301.04126215999383 233.1952232 C12H8FNO3 1 622.63 +5049 2030 2M+2Cl 319507 239.14822200000003 239.14899706893348 1129.6771668180852 204.17882000000003 C11H8O4 1 686.1 +5050 3467 2M+2Cl 221693 302.2917819999999 302.29069036535 568.5990771262291 267.3223799999999 C17H17NO2 1 938.85 +5051 3842 2M+2Cl 88241 317.2666619999999 317.2681788521737 896.6890672529014 282.2972599999999 C15H14N4O2 1 769.2 5052 3552 2M+2Cl 537740 306.072122 306.0732917705185 213.86686639513263 271.10272 C10H8Cl2N4O 1 821.3 5053 2804 2M+2Cl 186576 274.22376199999997 274.2246312706707 698.9127708562685 239.25436 C8H9N5O2S 1 601.71 +5054 811 2M+2Cl 553390 173.09674199999998 173.09631589239072 497.1378495375612 138.12733999999998 C5H6N4O 1 328.21 +5055 6652 2M+2Cl 661077 448.21802199999985 448.2169574444746 593.47393309837355 413.24861999999985 C19H18Cl2O6 1 880.83 5056 1660 2M+2Cl 491653 220.15478199999998 220.15451251384206 426.41332609004553 185.18537999999998 C9H7N5 1 768.58 5059 6531 3M+2Cl 62660 443.224852 443.2266797184944 621.5094568924529 272.1703 C13H15Cl2NO 1 992.51 5060 12263 3M+2Cl 256022 993.9128664999996 993.9109740491596 408.7932461853894 639.2956429999998 C15H24N5O17P3 0 345.66 +5062 5448 3M+2Cl 143444 392.265112 392.2638244507839 490.66844079333015 238.19714 C11H21Cl2N 1 857.55 +5064 5223 3M+2Cl 595776 383.14374640000005 383.14435324785694 370.2601322925768 232.11622960000003 C8H3F3N2O3 1 776.4 5065 9075 3M+2Cl 731346 600.2601219999999 600.2609824159654 202.57813425092235 376.86048 C17H17ClN4O2S 1 719.36 +5066 1856 3M+2Cl 483891 230.12246199999998 230.1216128460912 376.5672437863527 130.10204 C4H6N2O3 1 172.75 +5068 4315 3M+2Cl 386452 338.218762 338.2171590596497 535.875834059985 202.16624000000002 C10H6N2O3 1 689.99 5069 7875 3M+2Cl 391249 515.3404419999999 515.3397061540032 744.4854031018684 320.24735999999996 C15H14BrNS 1 1019.77 5075 10172 3M+2Cl 624031 713.8528419999998 713.8495675961602 366.20106710833636 452.58895999999993 C24H24N2O3S2 1 1123.85 +5079 4248 3M+2Cl 493218 335.1620335 335.1634021430365 524.4364564036192 200.128421 C8H9O4P-- 1 626.45 +5082 5006 3M+2Cl 666238 371.252182 371.253737811032 565.0625654786559 224.18852 C6H8O7S 1 467.64 +5083 5010 3M+2Cl 177632 371.31668679999996 371.315094381972 1095.6975825113987 224.23152319999997 C11H13FN2O2 1 627.72 5084 8870 3M+2Cl 851783 581.4247119999998 581.4234794571648 1002.5861360160021 364.3035399999999 C17H16O9 1 655.96 5088 5008 3M+2Cl 230852 371.291632 371.289930507917 643.4974556201536 224.21481999999997 C13H8N2O2 1 596.14 5092 5357 3M+2Cl 203915 389.18643640000005 389.18575287240475 658.482598592858 236.14468960000002 C9H7F3O4 1 818.01 5093 4501 3M+2Cl 625541 347.220682 347.2218918707379 589.4732431382661 208.16752 C10H8O5 1 659.59 +5097 11156 3M+2Cl 588015 829.2038020000002 829.2073530631359 982.6050660159502 529.4896000000001 C20H35NO15 0 570.91 5098 10302 3M+2Cl 259276 726.5383569999997 726.5418556403193 1093.6974840855758 461.04596999999984 C15H10BrIO4 1 1224.66 5099 10267 3M+2Cl 224069 723.5004520000002 723.4978109244962 710.8852289512879 459.0207000000001 C26H35ClN2O3 1 770.72 5101 10561 3M+2Cl 648851 758.5645419999998 758.5671092065934 1085.6528065036405 482.3967599999999 C24H29Cl2NO5 1 884.46 5102 9555 3M+2Cl 870819 640.120492 640.1193434855879 913.3458398074183 403.43406 C15H29N7O6 0 601.35 5104 5360 3M+2Cl 508498 389.21513350000004 389.2170149750807 504.7193623557926 236.163821 C10H9N2O3P 1 476.37 +5108 3622 3M+2Cl 103509 308.2939420000001 308.29422595765533 883.947499571743 182.21636000000004 C10H14O3 1 879.16 +5109 5221 3M+2Cl 359010 383.134012 383.13328322505936 430.8880045626428 232.10974 C9H11Cl2N3 1 560.83 +5115 3028 3M+2Cl 61947 284.29395639999996 284.29480625061433 1005.0218752110954 166.21636959999998 C6H9F3Si 1 1010.62 +5116 9603 3M+2Cl 110891 644.4919419999999 644.4924902771211 883.1590572203116 406.34835999999996 C20H14N4O6 1 797.94 +5117 6188 3M+2Cl 195261 427.234732 427.233364207253 607.4750862241457 261.51022 C6H3Cl3O3S 1 860.51 +5118 6806 3M+2Cl 637237 455.38421199999993 455.38424297068764 834.8123297094253 280.27653999999995 C13H16N2O5 1 426.68 +5119 11611 3M+2Cl 596579 891.2384320000003 891.2351277755189 1155.1931224527402 570.8460200000002 C35H58N2O4 1 903.08 +5123 7879 3M+2Cl 512949 515.412982 515.4119262954205 1104.4154654374543 320.29572 C10H8O8S2 1 523.92 +5124 6148 3M+2Cl 684413 425.33747199999993 425.3366623065285 691.2946892823736 260.24537999999995 C13H12N2O4 0 672.55 5129 2813 3M+2Cl 514410 275.09529849999996 275.09422990140655 412.9926424441855 160.08393099999998 C4H10NaO3P 1 469.14 5136 9055 3M+2Cl 73339 598.1073220000001 598.1099717231508 938.823834984289 375.4252800000001 C24H17N5 0 767.31 +5139 4656 3M+2Cl 672891 354.88190199999997 354.8824889905361 1267.1334017358017 213.27499999999998 C14H15NO 0 861.13 5140 7844 3M+2Cl 303934 513.8216463999998 513.8234311163245 771.0614990578405 319.2348295999999 C16H8F3NO3 1 918.19 +5141 9508 3M+2Cl 321399 635.3360455 635.3390194354656 740.8676127594297 400.24442899999997 C15H21IN2O3 0 651.78 5144 5850 3M+2Cl 308196 412.12925200000006 412.1274432035418 497.0134614440254 251.43990000000005 C14H25NOSi 1 828.43 5147 10129 3M+2Cl 25436 706.355632 706.3539037203146 395.165527708218 447.59082000000006 C23H33N3O4S 1 1129.03 5148 7313 3M+2Cl 661174 482.40449199999983 482.40432235932604 997.0082458135316 298.29005999999987 C17H14O5 1 698.49 +5149 8021 3M+2Cl 293712 523.3277320000002 523.3261777788962 698.2297532257019 325.5722200000002 C21H43NO 0 808.53 +5150 9222 3M+2Cl 399361 613.184332 613.1827040706863 1054.2475060824518 385.47661999999997 C21H23NO4S 1 835.3 5151 9018 3M+2Cl 621976 594.2881419999999 594.2867311815024 359.19832896376704 372.87915999999996 C9H9Br3O 0 1108.12 +5152 10119 3M+2Cl 733571 704.8385019999998 704.837556481231 419.30671129038444 446.57939999999996 C32H30O2 1 980.38 +5153 4889 3M+2Cl 309924 365.30132199999997 365.3020898103501 968.2665637638936 220.22127999999998 C12H12O4 1 669.73 +5154 3246 3M+2Cl 304907 293.18474200000003 293.18578788252097 450.2592506624963 172.14356 C8H4N4O 1 677.56 +5156 4889 3M+2Cl 608852 365.3013220000001 365.3020898103501 968.2665637638936 220.22128000000004 C12H12O4 1 709.04 +5157 6966 3M+2Cl 551016 464.140492 464.1398052555118 248.84997341257315 286.11406 C11H9Cl2N3O2 1 689.36 +5158 6967 3M+2Cl 551016 464.140492 464.1424854159482 989.1813061324323 286.11406 C11H9Cl2N3O2 1 689.36 +5160 7985 3M+2Cl 110608 521.2721019999999 521.2711139231571 671.3257852340791 324.2018 C16H15Cl2NO2 1 948.33 +5161 7986 3M+2Cl 110608 521.2721019999999 521.2727109237499 704.9371190719964 324.2018 C16H15Cl2NO2 1 948.33 +5162 3380 3M+2Cl 688828 299.232382 299.23205206002183 310.81992230331355 176.17531999999997 C8H8N4O 1 324.3 5163 4259 3M+2Cl 317268 335.259532 335.2582721086219 655.1170414792645 200.19342 C11H8N2O2 1 653.08 +5167 1864 3M+2Cl 106814 230.187052 230.18631408497924 191.178166150833 130.14509999999999 C5H10N2O2 1 637.19 +5170 10102 3M+2Cl 864995 702.8238249999999 702.8227467722629 1232.70424244453 445.23628199999996 C11H19N4O11P2- 1 621.59 5171 2608 3M+2Cl 426056 266.149612 266.1496041219941 358.1888317706248 154.12014 C7H6O4 1 612.15 5173 3768 3M+2Cl 336676 314.27699200000006 314.2768431566401 880.2279946675345 186.20506000000003 C9H14O4 0 686.34 5174 5361 3M+2Cl 855613 389.23352200000005 389.23520933586116 444.59330367431266 236.17608 C8H12O8 1 580.4 5175 3829 3M+2Cl 241495 317.1617716 317.161276123048 549.8964627941077 188.12824640000002 C8H6F2O3 1 724.02 +5176 5715 3M+2Cl 124083 404.362192 404.3630892326235 857.988166135078 246.26185999999998 C13H14N2O3 1 704.17 +5177 8059 3M+2Cl 396160 526.7437120000001 526.7437729053007 254.44726941959576 327.84954000000005 C16H26ClN3O2 1 1005.09 +5178 5984 3M+2Cl 537351 417.700702 417.7026204152667 291.7174186392854 255.15419999999997 C11H15BrN2 0 811.63 +5184 4504 3M+2Cl 178040 347.25299680000006 347.2541905786413 227.22960176954038 208.18906320000002 C10H9FN2O2 1 679.28 +5185 429 M+2Cl 654378 149.13333200000005 149.13265437896072 562.651661524138 228.32786000000007 C13H24O3 1 855.74 +5186 5019 M+2Cl 860556 372.1750430000002 372.17358908844733 508.8543351750377 674.4112820000004 C20H24N10O13P2 0 627.62 +5187 448 M+2Cl 595776 151.0275168 151.02756687909462 783.1724467947485 232.11622960000003 C8H3F3N2O3 0 776.4 5191 1407 M+2Cl 276597 206.117642 206.11777942990105 500.6441176587812 342.29648 C12H22O11 1 627.51 5192 1147 M+2Cl 273273 191.12772199999995 191.12797036018836 405.5489898257863 312.3166399999999 C18H16O5 0 829.52 5193 1064 M+2Cl 137919 186.132732 186.13232832318837 276.6567618835226 302.32666 C19H14N2O2 1 742.1 5201 438 M+2Cl 328189 150.07668200000003 150.07734761329309 249.15104037100136 230.21456000000006 C10H14O6 0 715.61 5202 401 M+2Cl 666238 147.06366200000002 147.06358628019615 318.26263290976004 224.18852 C6H8O7S 0 467.64 5203 4587 M+2Cl 599730 351.2525520000001 351.25303944821786 671.7403982286698 632.5663000000002 C23H40N2O18 1 198.11 +5204 2634 M+2Cl 435206 267.1575519999999 267.1573387967807 761.51616972322 464.37629999999984 C21H20O12 1 660.88 +5205 945 M+2Cl 197843 180.12661199999997 180.12724044592366 319.3697876737929 290.3144199999999 C15H18N2O4 1 681.73 +5206 917 M+2Cl 411488 179.10770250000007 179.10691349237285 493.08265708425677 288.27660100000014 C13H21O5P 1 723.39 +5207 212 M+2Cl 307448 133.049462 133.04982501977108 213.43354912308195 196.16012 C8H8N2O4 0 523.5 5208 1241 M+2Cl 653268 197.15460199999995 197.15373004397992 574.2226165671757 324.3703999999999 C20H20O4 1 1145.91 5210 602 M+2Cl 622530 161.059562 161.05998965368514 422.30360646853813 252.18032 C10H8N2O6 0 44.76 +5211 1883 M+2Cl 692072 231.14109199999993 231.1413919845686 617.7042189029387 392.34337999999985 C15H12N4O7S 0 624.86 +5212 103 M+2Cl 567238 123.055412 123.05548157482919 855.880126381624 176.17202 C9H8N2O2 1 467.72 5213 104 M+2Cl 567238 123.055412 123.05554691181901 184.60221597134534 176.17202 C9H8N2O2 1 467.72 5214 403 M+2Cl 230852 147.076812 147.07671726248847 417.42884572186813 224.21481999999997 C13H8N2O2 1 596.14 5215 561 M+2Cl 529515 158.0895736 158.0895512518952 355.9282643499071 246.24034319999996 C12H11FN4O 1 618.05 5217 485 M+2Cl 203915 153.0417468 153.0411452115555 203.77664005966733 236.14468960000002 C9H7F3O4 1 818.01 +5218 948 M+2Cl 317456 180.146492 180.14667877752092 605.3252941217152 290.35418 C17H22O4 0 1105.57 +5219 940 M+2Cl 583161 180.09267359999996 180.09210243650705 1036.3619550598178 290.2465431999999 C14H11FN2O4 0 648.6 +5220 941 M+2Cl 583161 180.09267359999996 180.0922635449061 308.8373087669991 290.2465431999999 C14H11FN2O4 0 648.6 +5221 5 M+2Cl 430703 111.04471199999999 111.04427508993788 463.8732937233543 152.15061999999998 C7H8N2O2 1 261.6 +5225 2104 M+2Cl 669000 243.07943200000005 243.07989694825716 252.8110661742214 416.2200600000001 C19H39NOSn 1 596.9 +5226 1967 M+2Cl 511701 236.04005699999996 236.03894913224832 162.54991138428412 402.1413099999999 C13H11IN2O5 0 772.33 5227 1146 M+2Cl 166759 191.1184025 191.11805260175583 280.4185550074404 312.298001 C15H21O5P 1 1070.6 5228 2846 M+2Cl 648851 276.167782 276.16782515397495 989.6646444656474 482.3967599999999 C24H29Cl2NO5 1 884.46 5231 313 M+2Cl 340808 141.05499679999997 141.05481735156852 366.4401972537663 212.17118959999996 C10H7F3N2 0 686.63 +5233 848 M+2Cl 591136 175.11591359999994 175.11609825588647 326.35761821375297 280.2930231999999 C18H13FO2 1 1101.39 +5235 552 M+2Cl 504941 157.13303200000001 157.1336508387448 258.9384777689443 244.32726000000005 C13H24O4 1 897.78 5236 49 M+2Cl 38175 117.09147200000001 117.09119003956421 196.50278735538558 164.24414000000002 C11H16O 1 844.35 +5245 447 M+2Cl 359010 151.024272 151.02477604471898 232.7907409073777 232.10974 C9H11Cl2N3 0 560.83 +5246 1549 M+2Cl 472434 214.15210700000006 214.15206483354686 562.3079966546237 358.3654100000001 C14H31IS 1 1074.51 +5247 47 M+2Cl 670813 117.06994200000001 117.07005789453477 443.2850713859822 164.20108000000002 C10H12O2 1 828.15 +5248 777 M+2Cl 584960 171.095792 171.0957229883871 192.13355239289245 272.25278 C15H12O5 0 757.32 +5249 928 M+2Cl 522515 179.96660200000002 179.96741459686945 319.57785154761297 289.99440000000004 C10H10Br2 1 1167 5250 172 M+2Cl 478525 129.069912 129.07019791283795 486.2517298667081 188.20102 C7H8O4S 1 635.55 5251 844 M+2Cl 719602 175.086142 175.08663513724338 271.0319741098296 280.23348 C12H12N2O6 1 719.46 +5253 3256 M+2Cl 16950 294.097697 294.09728504155186 391.173526804328 518.25659 C7H2ClI3O 1 1167.83 +5258 66 M+2Cl 111478 119.08582200000001 119.08565525106692 487.1772993633947 168.23284 C10H16O2 1 751.74 5260 477 M+2Cl 681505 152.115632 152.11521797641683 620.1077122039662 234.29246000000003 C17H14O 1 1161.87 +5261 360 M+2Cl 591443 144.0812236 144.08099621422514 359.0930369194885 218.2236432 C13H11FO2 1 815.84 +5263 304 M+2Cl 734824 140.10658199999997 140.10726085793794 340.4453703573578 210.27435999999994 C14H14N2 1 679.05 +5264 305 M+2Cl 734824 140.10658199999997 140.10727859180975 1291.6897857100403 210.27435999999994 C14H14N2 1 679.05 +5265 1358 M+2Cl 122738 203.1384219999999 203.13904864122372 266.652483245319 336.3380399999998 C20H16O5 1 786.84 +5266 666 M+2Cl 684413 165.09209199999998 165.09127287649187 477.8836930778187 260.24537999999995 C13H12N2O4 0 672.55 +5267 1008 M+2Cl 523390 183.11400519999995 183.11311046242872 247.31080325426308 296.2892063999999 C14H10F2O3S 1 973.67 +5269 636 M+2Cl 694100 163.08677250000005 163.086973245605 913.100229197991 256.2347410000001 C12H17O4P 1 715.42 5270 1142 M+2Cl 517331 191.08648200000002 191.08578318680287 766.2510663583064 312.23416000000003 C16H19Cl2NO 1 632.34 +5274 783 M+2Cl 429954 171.13885200000001 171.13814184103845 465.61834549205065 272.3389 C17H20O3 1 864.01 +5276 403 M+2Cl 211673 147.07604200000003 147.07671726248847 417.42884572186813 224.21328000000003 C10H12N2O4 1 632.79 5277 810 M+2Cl 57616 173.09256199999996 173.0921054456379 194.67648472969026 276.2463199999999 C16H8N2O3 0 917.75 +5280 1339 M+2Cl 658577 202.15124199999994 202.15218563860623 511.30466061790236 334.3636799999999 C18H22O6 0 919.08 5281 1775 M+2Cl 316106 226.217242 226.21661511621045 859.8305760775485 382.49568 C30H22 1 1106.15 +5282 680 M+2Cl 48935 166.09838199999996 166.09805826576456 205.58920488375537 262.2579599999999 C14H14O5 1 952.31 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150.51 +5307 491 M+2Cl 89990 153.102042 153.10215332854014 250.22754939342224 236.26528000000002 C16H12O2 1 879.03 +5309 5 M+2Cl 31062 111.04471199999999 111.04427508993788 463.8732937233543 152.15061999999998 C7H8N2O2 1 308.82 +5310 1565 M+2Cl 497634 215.10670200000004 215.10654614333012 556.448477160097 360.2746000000001 C22H20N2Ti-- 1 941.55 +5311 1392 M+2Cl 121754 205.13277199999987 205.1336442260066 333.6496402223885 340.32673999999975 C19H16O6 1 818.25 +5313 5592 M+2Cl 856552 398.2881820000001 398.28930341365026 586.4993433491254 726.6375600000002 C34H34N2O16 1 358.44 5314 581 M+2Cl 296288 159.14968200000004 159.14949249876514 203.33851365420944 248.3605600000001 C16H24O2 1 1084.54 +5315 1539 M+2Cl 257386 214.0791219999999 214.079435200523 418.57354927803544 358.2194399999998 C14H6N4O8 1 638.97 5316 2883 M+2Cl 194684 278.14209700000004 278.1421305183522 415.0946464128524 486.34539 C23H23IN2O2 1 890.96 +5323 835 M+2Cl 359492 174.143562 174.1432012819216 160.72113285461927 278.34832 C18H18N2O 1 694.13 5326 121 M+2Cl 288345 124.08323200000002 124.08383183916241 410.3800413537646 178.22766000000004 C11H14O2 1 850.06 5328 1573 M+2Cl 559919 215.179567 215.1794156671203 638.7926505874545 360.42033 C19H29NaO5 1 691.93 +5332 1310 M+2Cl 670640 201.09577700000003 201.094898255621 384.5234181031158 332.25275000000005 C12H17IOSi 0 1449.15 5333 953 M+2Cl 734371 180.16967199999996 180.16979832733028 303.0566291890636 290.4005399999999 C17H26N2O2 1 585.67 +5334 47 M+2Cl 6409 117.06994200000001 117.07005789453477 443.2850713859822 164.20108000000002 C10H12O2 1 750.98 5335 477 M+2Cl 346158 152.11486200000002 152.11521797641683 620.1077122039662 234.29092 C14H18O3 1 1017.42 +5336 121 M+2Cl 283519 124.083232 124.08383183916241 410.3800413537646 178.22766 C11H14O2 1 758.63 +5337 2563 M+2Cl 475461 264.2537219999999 264.25336395929776 818.7325813498362 458.56863999999985 C28H26O4S 1 895.8 +5338 1207 M+2Cl 194532 195.13795199999996 195.1381708922973 526.1495315122626 320.3370999999999 C17H20O6 1 802.38 +5339 1064 M+2Cl 366381 186.13273199999998 186.13232832318837 276.6567618835226 302.32665999999995 C19H14N2O2 1 902.3 +5344 6941 M+Br 548800 462.26728499999996 462.2683515317416 667.8403248772044 383.34839999999997 C14H25NO11 1 606.42 +5345 3130 M+Br 428119 288.205185 288.20626082302897 473.349904271973 209.28629999999995 C15H15N 1 835.79 5346 4572 M+Br 62660 351.089185 351.089888816836 371.28640709466754 272.1703 C13H15Cl2NO 1 992.51 +5347 1857 M+Br 558185 230.124505 230.124420407377 234.18656167453815 151.20562 C9H13NO 0 809.09 5348 2778 M+Br 684338 273.144405 273.14417304477155 246.29390656810438 194.22552 C8H18O5 1 656.64 5349 3154 M+Br 119861 289.171785 289.1730106473033 708.3904515334945 210.2529 C9H10N2O2S 1 624.72 +5352 4435 M+Br 550851 344.18078499999996 344.1810507738412 425.1068933020304 265.26189999999997 C13H15NO5 1 636.99 +5353 9095 M+Br 544545 601.469527 601.4704359522517 884.7851457489348 522.5506419999999 C20H48N2O9P2 1 638.8 +5358 3307 M+Br 638414 296.18412499999994 296.18551838394933 601.5568463976462 217.26523999999992 C16H11N 1 931.23 5359 1452 M+Br 569773 209.029882112 209.03041298961932 228.43482411819602 130.11099711199998 C4H3D4NaO3 1 293.51 +5363 4041 M+Br 367987 326.23170500000003 326.23244081074773 629.1010147538974 247.31282000000002 C13H13NO2S 1 889 5367 2286 M+Br 628005 252.05403460000002 252.05361383549254 268.7987373260987 173.1351496 C8H6F3N 1 705.06 5372 5781 M+Br 425219 408.3091049999999 408.3100092958208 673.7902641387295 329.3902199999999 C19H23NO4 1 270.98 5373 3459 M+Br 615332 302.187165 302.1873936849592 341.28209577962195 223.26827999999998 C12H17NO3 1 433.35 +5374 3594 M+Br 716604 307.190365 307.1900940331441 584.0710629585337 228.27148 C8H12N4O2S 1 631.35 +5375 8237 M+Br 798030 537.340265 537.3419071567371 602.5115143407172 458.42138 C21H22N4O8 1 656.66 5381 5596 M+Br 391249 399.16624499999995 399.1643225475389 446.6841848587623 320.24735999999996 C15H14BrNS 0 1019.77 5382 5597 M+Br 391249 399.16624499999995 399.1653927144409 427.14371762128275 320.24735999999996 C15H14BrNS 0 1019.77 5387 3094 M+Br 661921 287.132765 287.13169441113325 263.3027396842191 208.21388000000002 C10H12N2O3 0 342.95 +5389 5547 M+Br 866404 396.25710499999997 396.2566377158288 487.69156284607277 317.33822 C13H23N3O6 1 613.1 +5392 3825 M+Br 314655 317.13680600000004 317.13525762903004 597.6990662241714 238.21792100000002 C9H19O5P 1 758.81 +5393 8755 M+Br 294336 572.4374946 572.4350089321803 1114.620624007592 493.51860960000005 C25H30F3N3O4 1 676 5397 1688 M+Br 551407 222.11349388999997 222.11259615602387 403.94076529770217 143.19460888999998 C8H5D5O2 1 689.73 +5398 3926 M+Br 22682 321.190505 321.190116364715 489.6039953578844 242.27161999999998 C11H18N2O4 1 669.32 +5399 5357 M+Br 587155 389.18671459999985 389.18575287240475 658.482598592858 310.26782959999986 C16H13F3O3 1 1041.01 +5400 4806 M+Br 124770 361.274205 361.2729503388857 696.0433513500151 282.35532 C14H18O4S 1 825.61 +5405 2502 M+Br 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556.8139682096138 177.2429 C11H15NO 1 691.97 5669 2331 M+Br 204405 254.102845 254.102328329503 366.1806117986054 175.18396 C10H9NO2 1 550.49 5670 3825 M+Br 579790 317.13546819999993 317.13525762903004 597.6990662241714 238.21658319999995 C14H7FN2O 1 774.35 +5672 3372 M+Br 309924 299.14016499999997 299.13923317923883 588.3285193076161 220.22127999999998 C12H12O4 1 669.73 +5678 6436 M+Br 497634 439.19348500000007 439.19418489874425 411.3485107698334 360.2746000000001 C22H20N2Ti-- 1 941.55 +5679 5049 M+Br 420421 373.2220049999999 373.2219679900631 551.7058483057893 294.3031199999999 C14H18N2O5 1 740.26 +5680 4114 M+Br 491162 329.195885 329.19559150954393 564.3155724837361 250.277 C10H10N4O2S 1 534.84 +5684 2331 M+Br 139371 254.102845 254.102328329503 366.1806117986054 175.18396 C10H9NO2 1 623.19 5685 9192 M+Br 209804 610.7818050000001 610.7796979918538 286.93080686270184 531.86292 C18H33N3O3S6 1 945.11 +5686 7742 M+Br 130249 507.344025 507.34446648261303 961.1876473178476 428.42514 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5255 M+Br 191427 384.2380713999999 384.23727206186993 512.5121537464348 305.3191863999999 C17H17F2NO2 1 1075.68 5708 3400 M+Br 666003 300.1895282 300.1886738255516 534.651551135994 221.27064319999997 C13H16FNO 1 858.43 +5709 2147 M+Br 684783 245.09608499999996 245.0957084755989 244.0181286631195 166.17719999999997 C8H10N2O2 1 580.66 +5712 6495 M+Br 211999 441.29750499999994 441.2971677701504 1094.474098453479 362.37861999999996 C21H18N2O4 1 921.1 5714 3534 M+Br 123248 305.15288499999997 305.15275219436603 489.2716806117047 226.23399999999998 C12H10N4O 1 614.07 +5716 5710 M+Br 174631 404.282185 404.28345056442737 570.0437187703196 325.36330000000004 C21H15N3O 1 815.15 5720 2997 M+Br 385240 283.206965 283.20565902173087 633.0936645792764 204.28808 C12H12OS 1 1057.34 5721 2337 M+Br 364978 254.14590500000003 254.1467289867162 519.5443756801155 175.22702 C11H13NO 1 657.46 5722 3012 M+Br 500266 284.128825 284.12768100929577 511.46901256109254 205.20994 C11H11NO3 1 664.61 @@ -1032,305 +2956,804 @@ 5726 2948 M+Br 507163 281.17454499999997 281.17489943310926 593.9019428678739 202.25565999999998 C11H14N4 1 103.96 5727 9649 M+Br 260589 649.4604050000003 649.4632946578629 1184.8408266144359 570.5415200000002 C22H38N2O15 0 567.65 5728 7715 M+Br 476289 506.11852500000015 506.11991351093786 582.843993683717 427.19964000000016 C20H36O2Sn 0 604.67 +5729 3773 M+Br 855613 315.094965 315.09463596706513 221.92582352442653 236.17608 C8H12O8 1 580.4 +5736 3612 M+Br 409519 308.15352499999995 308.152411870919 366.170486834801 229.23463999999996 C12H11N3O2 1 704.06 +5737 10152 M+Br 492998 710.4680449999997 710.4704659431694 835.5198158328609 631.5491599999997 C32H64O4Sn 1 880.79 +5738 1902 M+Br 480088 232.097325 232.09710738580742 1036.668372671147 153.17844 C8H11NO2 1 716.41 5739 2964 M+Br 299714 282.134545 282.13342243162083 411.8749458651725 203.21565999999999 C7H9NO4S 1 65.14 +5743 6680 M+Br 118815 449.36102499999987 449.3600769295344 1008.7106579215189 370.4421399999999 C21H26N2O4 1 763.11 5744 2147 M+Br 483529 245.09608500000002 245.0957084755989 244.0181286631195 166.1772 C8H10N2O2 1 579.21 +5748 5495 M+Br 389672 394.28098499999993 394.27940219020263 747.1605018416814 315.36209999999994 C15H25NO6 1 816.05 +5749 3732 M+Br 218736 313.133585 313.1326942169696 253.73975835316762 234.21469999999997 C9H10N6O2 1 491.77 +5750 3733 M+Br 218736 313.133585 313.1348732132655 255.16885704372902 234.21469999999997 C9H10N6O2 1 491.77 5755 5601 M+Br 194532 399.2559849999999 399.2574443994233 580.1331911341102 320.3370999999999 C17H20O6 1 802.38 +5759 5372 M+Br 666355 389.347285 389.34549246898507 890.1198273967087 310.4284 C18H30O4 1 953.3 +5760 2106 M+Br 699775 243.098505 243.0973437039309 203.2151725436301 164.17961999999997 C5H8O4S 1 586.78 +5765 3091 M+Br 178040 287.1079482 287.1091749492896 245.07746782404163 208.18906320000002 C10H9FN2O2 1 679.28 5767 3731 M+Br 594725 313.126985 313.12805910108216 537.2069630145745 234.20809999999997 C11H10N2O4 1 624.12 +5770 3506 M+Br 700887 304.164825 304.1659641165478 405.38304518774794 225.24594 C13H11N3O 1 673.53 +5771 3851 M+Br 186576 318.173245 318.17323420771453 533.7721661699983 239.25436 C8H9N5O2S 1 601.71 +5777 7965 M+Br 428864 520.277825 520.2759915050816 512.4097573168814 441.35893999999996 C14H21ClHgO 1 1034.05 +5778 4257 M+Br 730005 335.2335681999999 335.23294308372283 560.1486931351767 256.31468319999993 C17H17FO 1 1141.56 5780 5178 M+Cl+HCOOH 572860 380.2416616 380.243090218165 619.5881859021617 299.2667896 C10H12F3NO4S 1 990 +5783 5922 M+Cl+HCOOH 98329 415.213012 415.2130292363114 872.9352270011395 334.23814 C15H21Cl2NO3 1 1042.81 +5789 3910 M+Cl+HCOOH 8598 320.287152 320.2874358015354 879.5878673417599 239.31228 C16H17NO 1 813.33 5794 3727 M+Cl+HCOOH 595776 313.0911016 313.0912533364706 331.16479105170134 232.11622960000003 C8H3F3N2O3 1 776.4 5797 7642 M+Cl+HCOOH 640453 501.262182 501.26283778155135 614.2753146741084 420.28731 C19H21IN2O 1 945.23 5799 2560 M+Cl+HCOOH 251276 264.180832 264.18074668845696 520.8405746926818 183.20596 C12H9NO 1 892.67 5800 2094 M+Cl+HCOOH 371666 242.17531200000002 242.17500945279366 493.8523020590069 161.20044000000001 C10H11NO 1 663.3 5801 3129 M+Cl+HCOOH 424266 288.200692 288.200843419198 673.8143683423029 207.22582 C11H13NO3 1 651.81 5802 4035 M+Cl+HCOOH 522937 326.1807952 326.1802440297723 480.4270996394778 245.20592319999997 C13H8FNO3 1 780.35 +5803 2063 M+Cl+HCOOH 35515 241.087333 241.0861372769817 635.7766482194367 160.112461 C8H5N2P 0 726.48 +5804 1809 M+Cl+HCOOH 70259 228.108972 228.11004102236356 211.38468608235462 147.1341 C7H5N3O 1 550.13 5807 2708 M+Cl+HCOOH 213536 270.14565200000004 270.1449217454768 276.6434642748788 189.17078 C9H7N3O2 1 637.5 5810 3856 M+Cl+HCOOH 339800 318.226672 318.22742490637995 510.52611625084677 237.25180000000003 C12H15NO4 1 773.42 5811 5059 M+Cl+HCOOH 260849 373.3497720000001 373.3497180623185 850.2741070055478 292.3749000000001 C19H20N2O 1 637.12 +5812 1358 M+Cl+HCOOH 320607 203.139272 203.13904864122372 266.652483245319 122.1644 C8H10O 1 704.85 5815 3486 M+Cl+HCOOH 184055 303.21687199999997 303.21636693446874 585.8365715949037 222.242 C14H10N2O 1 874.23 5817 8645 M+Cl+HCOOH 71994 565.5561119999999 565.5558970814515 912.5767254435395 484.58123999999987 C28H36O7 1 1117.11 +5820 3270 M+Cl+HCOOH 568518 294.22841200000005 294.2275937035132 1183.8153179574542 213.25354000000004 C9H11NO3S 1 666.29 +5823 5274 M+Cl+HCOOH 699839 385.16959299999996 385.16812151530604 587.8883972741794 304.19472099999996 C13H9N2O5P 1 779.79 +5827 1651 M+Cl+HCOOH 47679 220.083672 220.08260945101256 172.1313908035236 139.1088 C6H5NO3 1 548.01 +5828 3021 M+Cl+HCOOH 654367 284.197132 284.1965437121901 263.14070230275763 203.22225999999998 C5H9N5O2S 1 658.51 5830 1159 M+Cl+HCOOH 620894 192.07357199999998 192.07371016285555 341.8347689605208 111.09869999999998 C5H5NO2 0 243.7 +5832 6576 M+Cl+HCOOH 851783 445.2784119999999 445.2772933835758 654.9537387725171 364.3035399999999 C17H16O9 1 655.96 +5833 6577 M+Cl+HCOOH 851783 445.2784119999999 445.27987221077854 438.44473255414306 364.3035399999999 C17H16O9 1 655.96 5834 5983 M+Cl+HCOOH 129610 417.376032 417.37632317796226 891.4797521475354 336.40116 C14H24O7S 1 802.02 +5837 2493 M+Cl+HCOOH 588691 261.225012 261.22553315635423 596.2810640499068 180.25014000000002 C9H16N4 1 151.75 +5840 5008 M+Cl+HCOOH 197843 371.28929199999993 371.289930507917 643.4974556201536 290.3144199999999 C15H18N2O4 1 681.73 5843 8142 M+Cl+HCOOH 518021 532.2744620000001 532.2750567073139 531.5886965079798 451.29959 C23H18INO 1 1114.68 5844 1478 M+Cl+HCOOH 348039 210.131912 210.13155963869698 349.7577230393299 129.15704 C6H11NO2 1 605.88 +5845 2688 M+Cl+HCOOH 699749 269.222252 269.2222039404 338.7496209133787 188.24738 C7H12N2O2S 1 850.59 +5848 2681 M+Cl+HCOOH 195921 269.157592 269.15656400660936 425.85610521994874 188.18272000000002 C10H8N2O2 1 493.61 +5849 2905 M+Cl+HCOOH 383684 279.195472 279.19534784508363 594.3780039547695 198.22059999999996 C12H10N2O 1 680.4 +5852 7145 M+Cl+HCOOH 692072 473.31825199999986 473.3161799751556 960.5721995087918 392.34337999999985 C15H12N4O7S 0 624.86 +5854 3860 M+Cl+HCOOH 405261 318.299472 318.29986889775046 848.2700646951545 237.32459999999998 C10H15N5S 1 383.3 5855 4117 M+Cl+HCOOH 32873 329.252612 329.2513489102868 648.9144096553694 248.27773999999997 C13H16N2O3 1 564.73 +5856 5781 M+Cl+HCOOH 627507 408.30945199999996 408.3100092958208 673.7902641387295 327.33457999999996 C17H17N3O4 1 722.85 +5857 3488 M+Cl+HCOOH 665728 303.23517200000003 303.235354700915 573.2951547840538 222.26030000000003 C11H10O3S 1 797.1 +5858 3810 M+Cl+HCOOH 402542 316.21079199999997 316.2117560067504 409.9400695787606 235.23592 C12H13NO4 1 652.19 5859 6065 M+Cl+HCOOH 207499 421.2833951999999 421.28129704784055 364.61386160041695 340.3085231999999 C17H13FN4O3 1 789.28 5861 4066 M+Cl+HCOOH 529515 327.2152152 327.216295718777 626.898019527538 246.24034319999996 C12H11FN4O 1 618.05 5862 5895 M+Cl+HCOOH 97481 414.19609199999996 414.1953635936857 554.2488070322654 333.22121999999996 C20H13Br 1 1098.8 5863 5896 M+Cl+HCOOH 97481 414.19609199999996 414.1976280616516 266.83714886621385 333.22121999999996 C20H13Br 1 1098.8 5864 5691 M+Cl+HCOOH 656563 403.28633199999985 403.2871996739235 578.932473191725 322.31145999999984 C19H14O5 1 927.64 5865 5692 M+Cl+HCOOH 656563 403.28633199999985 403.2882926238218 575.5277761955617 322.31145999999984 C19H14O5 1 927.64 +5867 2098 M+Cl+HCOOH 11998 242.21837200000002 242.219430126077 805.9596429932219 161.2435 C11H15N 1 838.66 5868 4949 M+Cl+HCOOH 196682 369.11813119999994 369.11809781346517 399.8506325731862 288.14325919999993 C10H6F6O3 1 844.76 5869 4453 M+Cl+HCOOH 410826 345.135832 345.13682863554175 380.50791280511135 264.16096 C13H14BrN 1 945.01 5870 4271 M+Cl+HCOOH 702569 336.225332 336.22532757730926 634.091815722246 255.25046 C9H9N3O4S 1 676.05 5872 3228 M+Cl+HCOOH 548740 292.23575200000005 292.2351480270087 668.120256204637 211.26088000000004 C10H17N3O2 1 626.07 +5875 4055 M+Cl+HCOOH 303373 327.10789200000005 327.10691233816783 441.04454671287954 246.13302000000004 C11H13Cl2NO 1 885.08 +5879 2560 M+Cl+HCOOH 29662 264.180832 264.18074668845696 520.8405746926818 183.20595999999998 C12H9NO 1 743.2 5883 6827 M+Cl+HCOOH 385196 456.3689551999999 456.3677658590683 744.1035261190392 375.3940831999999 C19H22FN3O4 1 679.62 +5885 3241 M+Cl+HCOOH 340808 293.14606159999994 293.14697949967797 575.5631208683463 212.17118959999996 C10H7F3N2 1 686.63 +5886 5732 M+Cl+HCOOH 549855 405.3055119999999 405.30419624514207 633.179732875247 324.3306399999999 C18H16N2O4 1 823.85 +5887 3268 M+Cl+HCOOH 528445 294.206812 294.20634719930325 680.8765701060818 213.23194 C13H11NO2 1 712.1 +5888 2451 M+Cl+HCOOH 354654 259.205832 259.20616315536404 710.4529131965415 178.23095999999998 C10H14N2O 1 260.19 5890 4805 M+Cl+HCOOH 591136 361.2678951999999 361.26619324620276 623.8906302625074 280.2930231999999 C18H13FO2 1 1101.39 +5891 2828 M+Cl+HCOOH 84739 275.205232 275.2045175744496 476.5793191517112 194.23036 C10H14N2O2 1 685.03 +5892 5781 M+Cl+HCOOH 405197 408.30945199999985 408.3100092958208 673.7902641387295 327.33457999999985 C17H17N3O4 1 623.11 5893 6291 M+Cl+HCOOH 671367 431.2997319999999 431.2982477444725 630.5085539392057 350.3248599999999 C19H14N2O5 1 892.06 +5894 2134 M+Cl+HCOOH 170630 244.191192 244.19084950082868 818.7051453044104 163.21632 C10H13NO 1 470.09 5895 4433 M+Cl+HCOOH 46438 344.16073300000005 344.16027534384375 624.3732091165914 263.18586100000005 C12H10NO4P 1 711.44 5901 2329 M+Cl+HCOOH 45751 254.08797200000004 254.08852148488793 218.4057075418521 173.11310000000003 C4H10Cl2OSi 0 909.09 5902 3652 M+Cl+HCOOH 110789 309.24305200000003 309.2419656925808 685.0321748900517 228.26818 C9H12N2O3S 1 454.09 5903 5151 M+Cl+HCOOH 286615 378.328212 378.3298753012022 898.8781110209064 297.35334 C11H11N3O3S2 1 653.34 +5904 4255 M+Cl+HCOOH 187362 335.215672 335.2153780669127 419.3531798255338 254.24079999999998 C14H10N2O3 1 662.9 +5905 3479 M+Cl+HCOOH 312022 303.14264159999993 303.1439538420851 461.6448524948053 222.16776959999996 C7H9F3N4O 1 693.93 5908 9426 M+Cl+HCOOH 221463 629.6543520000001 629.6526445481538 274.23734027949206 548.6794800000001 C36H32N6 1 1366.24 +5917 6447 M+Cl+HCOOH 472434 439.3402820000001 439.3406818426504 707.2006906381982 358.3654100000001 C14H31IS 1 1074.51 +5918 6448 M+Cl+HCOOH 472434 439.3402820000001 439.3419140296898 728.291493830356 358.3654100000001 C14H31IS 1 1074.51 5919 3018 M+Cl+HCOOH 95846 284.168932 284.1689306683844 335.56627995454926 203.19405999999998 C11H9NO3 1 652.51 +5921 4445 M+Cl+HCOOH 17279 344.3516120000001 344.35183951131444 858.7636330271777 263.3767400000001 C19H21N 1 823.95 +5922 4161 M+Cl+HCOOH 185823 331.1907415999999 331.1900585986367 682.0697558215423 250.21586959999993 C14H9F3O 1 953.98 +5923 2683 M+Cl+HCOOH 478525 269.175892 269.1748864225014 504.6789818056872 188.20102 C7H8O4S 1 635.55 5926 3152 M+Cl+HCOOH 345070 289.1585319999999 289.158492721957 785.7683615222518 208.18365999999995 C16H9Li 1 1119.95 +5927 4852 M+Cl+HCOOH 46338 364.124752 364.1230989120114 370.09906790086376 283.14988 C14H12Cl2O2 1 901.39 +5928 2681 M+Cl+HCOOH 487839 269.157592 269.15656400660936 425.85610521994874 188.18272000000002 C10H8N2O2 1 742.63 +5934 2855 M+Cl+HCOOH 440588 276.233052 276.2322860854976 942.5432427857796 195.25817999999998 C11H17NO2 1 368.91 +5936 5647 M+Cl+HCOOH 512949 401.270592 401.2722854754035 551.9897741234582 320.29572 C10H8O8S2 1 523.92 +5937 2758 M+Cl+HCOOH 411175 272.15947300000005 272.1591362473224 294.60328734110294 191.18460100000001 C8H16O3P+ 1 625.69 +5938 5113 M+Cl+HCOOH 126374 376.2708919999999 376.26912957093896 476.3746478667319 295.2960199999999 C15H13N5O2 1 553.15 5939 1405 M+Cl+HCOOH 43249 206.10015199999998 206.1003685366936 289.31351096184545 125.12527999999998 C6H7NO2 1 635.24 +5941 1566 M+Cl+HCOOH 287460 215.110212 215.11021329527816 428.61116628246486 134.13533999999999 C7H6N2O 1 502.48 +5944 2943 M+Cl+HCOOH 559027 281.1353615999999 281.13609134690216 571.9795550843562 200.16048959999992 C9H7F3N2 1 770.37 5945 2028 M+Cl+HCOOH 325677 239.126772 239.1279252295433 475.4484926514334 158.15189999999998 C7H10O4 1 678.9 5946 4719 M+Cl+HCOOH 207219 357.24561300000005 357.24668917033665 570.3448569191011 276.27074100000004 C14H17N2O2P 1 615.74 5947 4857 M+Cl+HCOOH 251412 364.17760159999995 364.1788158499561 455.8074150083333 283.20272959999994 C13H8F3NO3 0 791.68 +5948 2720 M+Cl+HCOOH 182330 270.228472 270.22961857233213 664.0693733790251 189.2536 C12H15NO 1 770.54 +5949 4868 M+Cl+HCOOH 116504 364.341252 364.34207667067335 970.5496980029443 283.36638 C21H17N 1 746.8 +5950 5112 M+Cl+HCOOH 391512 376.2627519999999 376.263690284865 875.8454411881 295.2878799999999 C14H17NO6 1 760.46 5951 3408 M+Cl+HCOOH 928 300.254452 300.2530553083684 797.6890396003338 219.27957999999998 C13H17NO2 1 703.98 +5952 5217 M+Cl+HCOOH 527940 383.04342199999996 383.04306742151846 441.6099226155871 302.06854999999996 C9H7IN2O2 0 741.41 +5954 2989 M+Cl+HCOOH 597508 283.136272 283.1365487326614 506.83103813124364 202.16140000000001 C8H10O6 0 634.28 +5955 5827 M+Cl+HCOOH 22232 410.3732320000001 410.3737740033627 913.2114996080307 329.3983600000001 C20H19N5 1 371.23 +5956 6971 M+Cl+HCOOH 81980 464.200812 464.2015354415399 668.3283605602617 383.22594 C17H16Cl2N2O4 1 1043.06 +5957 5280 M+Cl+HCOOH 51265 385.27611199999996 385.2776993056731 653.2613596207038 304.30123999999995 C14H16N4O4 1 641.96 +5958 4385 M+Cl+HCOOH 727084 341.280072 341.2797630359338 402.6103066133757 260.3052 C8H20O7S 1 396.66 +5959 5929 M+Cl+HCOOH 658577 415.3385519999999 415.3390785080654 545.0154742808911 334.3636799999999 C18H22O6 0 919.08 +5962 4285 M+Cl+HCOOH 110001 337.113832 337.1137938286828 529.1701900144216 256.13896 C11H14BrNO 1 758.81 5963 5212 M+Cl+HCOOH 182415 382.29531199999997 382.29512179749145 740.5952261077459 301.32043999999996 C14H11N3O3S 1 805.5 +5972 2208 M+Cl+HCOOH 233925 248.136832 248.1362883492254 523.5209033119269 167.16196 C8H9NO3 1 579.83 +5973 3934 M+Cl+HCOOH 715003 321.31343200000003 321.3150318650728 985.8621531872525 240.33856000000003 C14H24O3 1 779.44 +5977 3843 M+Cl+HCOOH 180171 317.28651199999996 317.28789638263345 734.8959884267188 236.31163999999995 C16H16N2 1 706.94 +5978 4762 M+Cl+HCOOH 431859 359.27859199999995 359.279013410712 723.8500341104852 278.30371999999994 C14H18N2O4 1 442.18 5979 1909 M+Cl+HCOOH 114301 232.13743200000002 232.13750818103284 229.43733055665072 151.16256 C8H9NO2 0 618.35 +5981 3189 M+Cl+HCOOH 118950 291.10712479999995 291.1059402000092 540.5883233781459 210.13225279999995 C6H6F4N4 1 344.43 +5983 5908 M+Cl+HCOOH 127920 414.31557200000003 414.3150157136072 1032.559317546963 333.3407 C19H15N3O3 1 844.73 +5984 3132 M+Cl+HCOOH 62753 288.223832 288.2248856407695 1022.7521503280199 207.24896000000004 C10H9NO2S 1 774.62 +5986 7532 M+Cl+HCOOH 118697 495.22159759999977 495.22178908500314 610.7380589983305 414.24672559999976 C17H10F8O3 1 1262.75 +5987 7533 M+Cl+HCOOH 118697 495.22159759999977 495.2232733305882 619.2582757659006 414.24672559999976 C17H10F8O3 0 1262.75 +5988 5159 M+Cl+HCOOH 586826 379.1889415999999 379.18928241768396 237.7778860084983 298.2140695999999 C14H9F3O4 1 844.28 +5989 6511 M+Cl+HCOOH 190233 442.263032 442.26409060630175 516.4684114508427 361.28816 C18H14Cl2N2S 0 1356.25 5990 4490 M+Cl+HCOOH 138184 347.097532 347.0967846906275 333.24635571209274 266.12266 C13H9Cl2NO 1 949.53 5991 4169 M+Cl+HCOOH 564336 332.04283839999994 332.0431221284749 266.19985971997204 251.06796639999996 C9H9BrF2O 1 995.7 +5993 4890 M+Cl+HCOOH 684972 365.34607199999994 365.34456222966116 917.9425069893448 284.37119999999993 C14H20O4S 1 745.36 +5994 2360 M+Cl+HCOOH 590716 255.17077200000006 255.17028237232472 357.542196295242 174.19590000000005 C11H10O2 1 889.09 5995 2405 M+Cl+HCOOH 522604 257.18665200000004 257.18585285061215 284.41820200971523 176.21178000000003 C11H12O2 1 871.21 5997 3876 M+Cl+HCOOH 579790 319.19145519999995 319.1904790739813 676.7311183850214 238.21658319999995 C14H7FN2O 1 774.35 +6000 4090 M+Cl+HCOOH 578120 328.19667519999996 328.1968310915777 203.2573700094196 247.22180319999998 C13H10FNO3 1 708.11 +6004 6683 M+Cl+HCOOH 668825 449.912652 449.9115037244529 739.715676615616 368.93778 C24H17Cu 1 1198.83 6005 3210 M+Cl+HCOOH 614240 292.082363 292.08381075019014 357.20437228481785 211.10749099999998 C7H9NaO4P+ 1 93.17 +6007 2247 M+Cl+HCOOH 670734 250.114492 250.11540915975016 554.8889964921527 169.13962 C9H3N3O 1 719.55 +6008 1808 M+Cl+HCOOH 437704 228.105672 228.10571502249658 312.1602824326442 147.1308 C8H5NO2 1 690.78 +6011 5782 M+Cl+HCOOH 438849 408.329872 408.33104598957004 889.057334944893 327.355 C10H20Cl2N2O2Si2 1 1131.78 +6013 8672 M+Cl+HCOOH 194684 567.320262 567.3179027759884 527.6296931861447 486.34539 C23H23IN2O2 1 890.96 +6014 8673 M+Cl+HCOOH 194684 567.320262 567.319714524462 557.2433454106819 486.34539 C23H23IN2O2 1 890.96 +6015 4018 M+Cl+HCOOH 523830 325.2276816 325.22746890969745 727.7848117476108 244.25280959999995 C13H15F3O 1 996.91 +6019 3760 M+Cl+HCOOH 671356 314.175032 314.17383200255296 455.2402369832595 233.20016 C11H9N2O4- 1 640.32 +6020 2640 M+Cl+HCOOH 512152 267.206372 267.20675978372645 545.9244693728938 186.2315 C7H10N2O2S 1 654.69 +6021 2042 M+Cl+HCOOH 657003 240.09773299999998 240.09742120287316 206.70906747340234 159.12286099999997 C6H10NO2P 0 665.09 6029 3843 M+Cl+HCOOH 167695 317.286512 317.28789638263345 734.8959884267188 236.31164 C16H16N2 1 617.39 +6030 2028 M+Cl+HCOOH 306340 239.126772 239.1279252295433 475.4484926514334 158.15189999999998 C7H10O4 1 490.95 +6033 5339 M+Cl+HCOOH 672901 388.2433920000001 388.2437249524238 733.9569844497234 307.2685200000001 C17H23Br 1 1200.78 +6036 3465 M+Cl+HCOOH 666003 302.2455152 302.2452055655326 890.2147208953766 221.27064319999997 C13H16FNO 1 858.43 6041 5462 M+Cl+HCOOH 8739 393.2119919999999 393.2121601984224 559.4186983718693 312.2371199999999 C14H8N4O5 1 716.36 +6044 5231 M+Cl+HCOOH 5553 383.2171719999999 383.21682289591456 270.5976950524328 302.2422999999999 C13H10N4O5 1 670.1 6046 6111 M+Cl+HCOOH 90297 423.4365719999999 423.43846359913687 1067.70853950741 342.4616999999999 C15H10N4S3 1 747.89 +6048 2450 M+Cl+HCOOH 288345 259.202532 259.2015906631334 367.4349204505178 178.22766000000004 C11H14O2 1 850.06 6049 2405 M+Cl+HCOOH 96889 257.186652 257.18585285061215 284.41820200971523 176.21178 C11H12O2 1 844.16 6050 1460 M+Cl+HCOOH 383528 209.100792 209.10030229919332 396.9970804974061 128.12592 C6H8O3 1 573.1 6052 6430 M+Cl+HCOOH 110313 438.376732 438.3783969686009 898.8910970068463 357.40186 C23H19NO3 1 841.52 6054 2877 M+Cl+HCOOH 553686 278.0868216 278.08790385810283 325.32462596067865 197.1119496 C6H6F3NO3 1 580.09 6055 3835 M+Cl+HCOOH 197725 317.195552 317.196146069777 584.2272760923676 236.22068 C12H12O5 1 783.35 6056 3571 M+Cl+HCOOH 263634 306.217512 306.2172936347094 431.7743921155607 225.24264 C14H11NO2 1 756.79 +6057 2714 M+Cl+HCOOH 419225 270.18541200000004 270.18541509597674 734.7469369403951 189.21054 C11H11NO2 0 627.04 +6058 3076 M+Cl+HCOOH 500266 286.18481199999997 286.18425018007883 562.8748891842683 205.20994 C11H11NO3 1 664.61 +6059 5194 M+Cl+HCOOH 301793 381.23775199999994 381.2383588615915 641.7392324674692 300.26287999999994 C16H12O6 1 813.01 +6063 3827 M+Cl+HCOOH 855613 317.150952 317.1494039675186 388.73512621950687 236.17608 C8H12O8 1 580.4 +6064 3357 M+Cl+HCOOH 88983 298.28163200000006 298.28186197484956 899.516545655534 217.30676000000003 C14H19NO 1 691.12 +6070 1791 M+Cl+HCOOH 475019 227.159132 227.15827427518846 204.54481025703024 146.18426 C7H14O3 1 561.04 +6071 1946 M+Cl+HCOOH 480088 234.153312 234.15248703255253 441.17308259100224 153.17844 C8H11NO2 1 716.41 +6073 4560 M+Cl+HCOOH 701363 350.2452551999999 350.24685270276143 866.1879585419958 269.2703831999999 C16H12FNO2 1 830.38 6078 1142 M+Cl+HCOOH 9060 191.085512 191.08578318680287 766.2510663583064 110.11063999999999 C6H6O2 1 661.47 +6082 4591 M+Cl+HCOOH 378473 351.94759400000004 351.94666898839307 1244.7972400048257 270.97272200000003 C4H10Cl2O5P2 1 613.39 +6083 1808 M+Cl+HCOOH 251673 228.105672 228.10571502249658 312.1602824326442 147.1308 C8H5NO2 1 633.94 6084 2828 M+Cl+HCOOH 477775 275.205232 275.2045175744496 476.5793191517112 194.23036000000002 C10H14N2O2 1 597.77 +6086 2153 M+Cl+HCOOH 699775 245.15449199999998 245.15353878041034 501.0726869357274 164.17961999999997 C5H8O4S 1 586.78 +6087 2094 M+Cl+HCOOH 6314 242.17531199999996 242.17500945279366 493.8523020590069 161.20043999999996 C10H11NO 1 605.09 +6088 3153 M+Cl+HCOOH 178040 289.1639352 289.16467925041195 514.1906057149135 208.18906320000002 C10H9FN2O2 1 679.28 6089 3759 M+Cl+HCOOH 563752 314.1700952 314.1707500882649 320.3158791890226 233.1952232 C12H8FNO3 1 622.63 6090 3905 M+Cl+HCOOH 186576 320.229232 320.23002356237913 670.9677246544445 239.25436 C8H9N5O2S 1 601.71 6091 5893 M+Cl+HCOOH 631574 414.18123200000014 414.1795330946769 354.20402777694545 333.20636000000013 C13H9BrN4S 0 733.14 6092 1638 M+Cl+HCOOH 553390 219.10221199999998 219.10170277421707 532.3675269635096 138.12733999999998 C5H6N4O 0 328.21 +6096 6487 M+Cl+HCOOH 403579 441.20877199999995 441.2100995032373 675.0927872112226 360.23389999999995 C19H15Cl2NO2 0 1127.04 +6097 5008 M+Cl+HCOOH 138255 371.289292 371.289930507917 643.4974556201536 290.31442 C15H18N2O4 1 873 +6099 7377 M+Cl+NaCOOH 548800 486.30522899999994 486.30538219803543 714.0386220708393 383.34839999999997 C14H25NO11 1 606.42 +6100 1703 M+Cl+NaCOOH 53054 223.107109 223.10781616944283 357.5148342598953 120.15028000000001 C4H12N2O2 1 61.06 6101 5086 M+Cl+NaCOOH 62660 375.12712899999997 375.12835033770125 391.4092082013337 272.1703 C13H15Cl2NO 1 992.51 6105 1560 M+Cl+NaCOOH 393910 215.0817122 215.08155763577454 902.66389320482 112.1248832 C6H7FN+ 0 431.58 +6111 4826 M+Cl+NaCOOH 53583 362.303709 362.3025683619993 918.114585939267 259.34688 C6H17N3O4S2 1 139.92 +6113 7112 M+Cl+NaCOOH 58923 471.2936689999998 471.29146368420624 542.5750304525819 368.3368399999998 C20H16O7 1 701.26 6119 2103 M+Cl+NaCOOH 590394 243.05368899999996 243.0547122467765 275.8127945607703 140.09685999999996 C5H4N2O3 1 534.63 +6120 2242 M+Cl+NaCOOH 70259 250.090929 250.08993298084164 442.6046707317741 147.1341 C7H5N3O 1 550.13 6122 3939 M+Cl+NaCOOH 378945 322.150289 322.1492462526958 415.5782831399146 219.19346 C11H9NO4 1 597.54 6125 7037 M+Cl+NaCOOH 263773 467.3464889999999 467.3471741946057 762.8047444040274 364.3896599999999 C19H24O7 1 601.97 +6129 2484 M+Cl+NaCOOH 564741 261.151789 261.152603122919 194.33166722030333 158.19496 C8H14O3 1 630.65 +6130 8150 M+Cl+NaCOOH 268192 532.381589 532.3838324558362 841.1750803406121 429.42475999999994 C24H19N3O5 1 782.66 +6132 4677 M+Cl+NaCOOH 697321 355.26456900000005 355.26319455056966 698.8465425180742 252.30774000000002 C17H16O2 1 1029.52 +6136 6674 M+Cl+NaCOOH 262804 449.28968899999984 449.2897782636252 677.0287795874684 346.3328599999998 C21H14O5 1 1195.14 6137 5529 M+Cl+NaCOOH 260849 395.3317290000001 395.33208417431035 843.5080639077178 292.3749000000001 C19H20N2O 1 637.12 +6140 2479 M+Cl+NaCOOH 69705 261.11686899999995 261.11579798747454 447.44018644405935 158.16003999999998 C8H6N4 1 436.93 +6141 3487 M+Cl+NaCOOH 266101 303.231529 303.2319547542643 688.71263014465 200.2747 C11H20O3 1 1041.57 6142 3153 M+Cl+NaCOOH 417333 289.165189 289.16467925041195 514.1906057149135 186.20836 C8H14N2O3 1 112.83 +6144 6036 M+Cl+NaCOOH 866404 420.29504899999995 420.2944429280001 542.247997030497 317.33822 C13H23N3O6 1 613.1 +6145 6037 M+Cl+NaCOOH 866404 420.29504899999995 420.2955965356472 531.1590370605438 317.33822 C13H23N3O6 1 613.1 6148 7214 M+Cl+NaCOOH 122516 477.2997889999998 477.3000355253787 839.631142155125 374.3429599999998 C22H14O6 1 808.34 6149 5803 M+Cl+NaCOOH 112967 409.315249 409.3138203646163 641.713026625175 306.35842 C19H18N2O2 1 776.94 6152 3436 M+Cl+NaCOOH 397452 301.21718899999996 301.216432495869 626.4542285169293 198.26035999999996 C14H14O 1 915.6 6153 5298 M+Cl+NaCOOH 222379 386.23764900000003 386.2374616112612 406.9994487059989 283.28082000000006 C13H28Cl2N2 1 388.51 6154 5299 M+Cl+NaCOOH 222379 386.23764900000003 386.23847860596334 403.17774412984255 283.28082000000006 C13H28Cl2N2 0 388.51 +6158 9300 M+Cl+NaCOOH 628903 617.7811089999999 617.7785320923606 287.3136956396295 514.8242799999999 C30H62N2O4 0 748.06 +6159 3565 M+Cl+NaCOOH 654367 306.179089 306.1803860808629 333.2251791463507 203.22225999999998 C5H9N5O2S 1 658.51 +6160 3074 M+Cl+NaCOOH 54002 286.164549 286.1649818054864 465.26347933353804 183.20772000000002 C8H13N3O2 1 571.51 +6164 3474 M+Cl+NaCOOH 493218 303.08525 303.0861745143532 503.22282318671233 200.128421 C8H9O4P-- 0 626.45 +6166 7535 M+Cl+NaCOOH 297810 495.24370899999997 495.2454511285888 572.8776656006429 392.28687999999994 C19H22BrNO3 0 558.99 6167 5008 M+Cl+NaCOOH 630217 371.288869 371.289930507917 643.4974556201536 268.33204 C12H16N2O3S 1 519.16 +6168 3505 M+Cl+NaCOOH 328922 304.156609 304.15780748993626 493.5168060029709 201.19977999999998 C7H7NO4S 1 509.45 6169 7539 M+Cl+NaCOOH 540476 495.27564899999993 495.2750371582964 398.08312884951073 392.3188199999999 C21H23Cl2NO2 1 1223.41 6170 7540 M+Cl+NaCOOH 540476 495.27564899999993 495.2765163175843 792.2022810168165 392.3188199999999 C21H23Cl2NO2 1 1223.41 +6171 4198 M+Cl+NaCOOH 328189 333.1713890000001 333.1714442341688 547.6737056544447 230.21456000000006 C10H14O6 1 715.61 6172 5063 M+Cl+NaCOOH 100703 374.107129 374.1070651308489 299.7003675531746 271.1503 C12H15BrO2 0 1066.69 6174 2997 M+Cl+NaCOOH 588691 283.206969 283.20565902173087 633.0936645792764 180.25014000000002 C9H16N4 1 151.75 6183 2228 M+Cl+NaCOOH 205263 249.1162722 249.11555691887958 399.8894391402876 146.1594432 C7H11FO2 0 798.63 +6185 8429 M+Cl+NaCOOH 866699 551.4363490000002 551.4345157289447 958.5935672937314 448.4795200000002 C18H28N10O4 1 105.77 +6186 6747 M+Cl+NaCOOH 645349 453.1855689999999 453.1858269014731 378.9893099977437 350.2287399999999 C12H16BrNO4S 0 872.96 6187 4297 M+Cl+NaCOOH 103131 337.21282899999994 337.2119247291561 543.9569999623035 234.25599999999991 C14H10N4 1 635.83 6188 5523 M+Cl+NaCOOH 798109 395.25392899999997 395.2529824193143 434.95937228582346 292.29709999999994 C10H10N7O2S+ 1 238.44 +6191 2750 M+Cl+NaCOOH 383192 272.094909 272.0952991383287 282.66010978780366 169.13807999999997 C6H7N3O3 1 555.17 +6192 3097 M+Cl+NaCOOH 95378 287.149309 287.14896583985995 456.709984404163 184.19248000000002 C8H12N2O3 1 633.74 +6193 2731 M+Cl+NaCOOH 108390 271.106849 271.1079033642153 466.67188029959163 168.15002 C7H8N2O3 1 547.94 +6194 9575 M+Cl+NaCOOH 51160 641.5919689999998 641.5909962536209 1028.2830508936368 538.6351399999999 C27H26N2O6S2 1 1089.75 +6195 4257 M+Cl+NaCOOH 285656 335.233629 335.23294308372283 560.1486931351767 232.2768 C10H20N2O4 1 597.04 6199 2867 M+Cl+NaCOOH 666765 277.156029 277.1547346111112 446.1369115610323 174.1992 C10H10N2O 1 616.16 +6200 2805 M+Cl+NaCOOH 440134 274.23666899999995 274.2379070132126 703.5147036817978 171.27983999999995 C10H21NO 1 795.82 +6202 3488 M+Cl+NaCOOH 556395 303.234829 303.235354700915 573.2951547840538 200.27800000000002 C10H20N2O2 1 644.75 +6203 6737 M+Cl+NaCOOH 633158 452.33822899999996 452.3364603290696 780.2392533682016 349.3813999999999 C24H15NO2 0 1175.42 6204 3357 M+Cl+NaCOOH 240962 298.281209 298.28186197484956 899.516545655534 195.32438 C11H17NS 1 840.56 6205 6145 M+Cl+NaCOOH 656563 425.26828899999987 425.26839769132226 764.1821356628285 322.31145999999984 C19H14O5 1 927.64 +6206 4721 M+Cl+NaCOOH 603713 357.278909 357.27863248931044 763.9964397845329 254.32208000000003 C14H22O4 1 901.62 6210 4902 M+Cl+NaCOOH 270702 366.24744899999996 366.24811979886016 516.8000613786311 263.29061999999993 C17H13NO2 1 1168.64 +6211 2638 M+Cl+NaCOOH 540654 267.18108900000004 267.1808266262537 282.7221147331178 164.22426000000004 C10H14NO+ 1 594.38 6212 4290 M+Cl+NaCOOH 382365 337.16492900000003 337.16466991859664 584.6068941295522 234.2081 C11H10N2O4 1 666.46 6213 6000 M+Cl+NaCOOH 77010 418.2774089999999 418.2794375506851 471.2865433735751 315.3205799999999 C17H17NO5 1 898.76 +6214 2352 M+Cl+NaCOOH 430703 255.10744899999997 255.10773690799337 220.34468371584504 152.15061999999998 C7H8N2O2 1 261.6 +6220 1189 M+Cl+NaCOOH 348634 194.080434334 194.08132204451758 805.812912873846 91.12360533399999 C4H5D3O2 0 548.66 6225 4503 M+Cl+NaCOOH 81164 347.244329 347.24290261670967 623.745212662583 244.28750000000002 C11H20N2O4 1 572.35 6226 2184 M+Cl+NaCOOH 31252 247.08544899999998 247.08667174641258 249.98396005137676 144.12861999999998 C5H8N2O3 1 608.9 6227 3869 M+Cl+NaCOOH 728317 319.1301218 319.1285446915778 338.67524299272355 216.1732928 C8H12F4O2 1 774.47 +6232 5235 M+Cl+NaCOOH 591136 383.24985219999985 383.25105450826186 811.3786260243455 280.2930231999999 C18H13FO2 1 1101.39 +6233 4459 M+Cl+NaCOOH 504959 345.183629 345.18424276492925 298.3688147162194 242.22679999999997 C14H10O4 1 772.22 +6234 4564 M+Cl+NaCOOH 402638 350.28956900000003 350.28970615162694 850.5501418297242 247.33274000000003 C15H21NO2 1 542.33 +6235 2613 M+Cl+NaCOOH 170630 266.17314899999997 266.1726201868816 906.6362329679303 163.21632 C10H13NO 1 470.09 +6236 3427 M+Cl+NaCOOH 680755 301.1473764 301.14699437739864 450.4320312703103 198.19054739999996 C8H17F2OP 1 923.8 +6238 2783 M+Cl+NaCOOH 247203 273.188929 273.1886023065745 419.32926049513816 170.23209999999997 C7H10N2OS 1 732.98 +6243 5362 M+Cl+NaCOOH 134740 389.23618899999997 389.2362368040677 504.74517514200454 286.27935999999994 C16H14O5 1 834.89 6245 4821 M+Cl+NaCOOH 602761 362.23574900000006 362.23564335102583 601.4318539762032 259.27892 C10H13NO5S 1 701.35 +6248 2835 M+Cl+NaCOOH 45751 276.069929 276.07002926907836 280.5812386382552 173.11310000000003 C4H10Cl2OSi 0 909.09 6249 3153 M+Cl+NaCOOH 357668 289.16518900000005 289.16467925041195 514.1906057149135 186.20836000000003 C8H14N2O3 1 682.38 +6250 2919 M+Cl+NaCOOH 536525 280.156669 280.15756431577836 364.12023474013233 177.19984000000002 C10H11NO2 1 739.05 +6251 3053 M+Cl+NaCOOH 677621 285.216249 285.21701603669453 363.15114213642204 182.25942 C11H18O2 1 739.77 +6252 2183 M+Cl+NaCOOH 202055 247.0755754 247.07442609100625 264.7594459049061 144.1187464 C7H6F2O 1 783.6 6261 5361 M+Cl+NaCOOH 106115 389.23618899999997 389.23520933586116 444.59330367431266 286.27935999999994 C16H14O5 1 808.86 6262 5362 M+Cl+NaCOOH 106115 389.23618899999997 389.2362368040677 504.74517514200454 286.27935999999994 C16H14O5 1 808.86 6263 4166 M+Cl+NaCOOH 352721 331.266309 331.267210336895 672.749406582 228.30947999999998 C14H12OS 1 938.08 6264 7214 M+Cl+NaCOOH 733058 477.3018890000001 477.3000355253787 839.631142155125 374.34506000000005 C19H29Cl2NO2 1 901.37 6266 4944 M+Cl+NaCOOH 113085 368.2617889999999 368.26169707478175 441.58624212794166 265.30495999999994 C14H19NO4 1 181.98 6268 1253 M+Cl+NaCOOH 170413 198.099189 198.09961781543592 704.1655946966839 95.14236 C6H9N 0 660.84 +6269 3074 M+Cl+NaCOOH 390010 286.166089 286.1649818054864 465.26347933353804 183.20926 C11H9N3 1 614.97 +6270 4861 M+Cl+NaCOOH 374995 364.2315689999999 364.23264959215203 568.2057846422563 261.2747399999999 C17H11NO2 1 754.44 +6275 6245 M+Cl+NaCOOH 177789 429.3015889999999 429.30274786266716 626.6364992353829 326.3447599999999 C22H14O3 1 1021 +6279 4401 M+Cl+NaCOOH 535147 342.22934899999996 342.2276639255104 523.191615537883 239.27251999999993 C14H13N3O 1 723.79 +6280 5260 M+Cl+NaCOOH 235761 384.30908899999986 384.3103892353303 822.0212958794211 281.3522599999999 C17H19N3O 1 726.73 +6281 6731 M+Cl+NaCOOH 220366 452.194529 452.19319903638666 532.045520821414 349.2377 C15H10Cl2N4S 0 1001.01 6282 2846 M+Cl+NaCOOH 94204 276.16796899999997 276.16782515397495 989.6646444656474 173.21114 C11H11NO 1 831.31 +6283 7148 M+Cl+NaCOOH 191331 473.3956689999999 473.39771923365436 1092.434252617157 370.4388399999999 C22H26O5 1 1029.32 +6288 5552 M+Cl+NaCOOH 179066 396.31648899999993 396.31591515612274 981.7109904624479 293.3596599999999 C19H19NO2 1 915.67 +6293 6760 M+Cl+NaCOOH 85145 453.36780899999997 453.368406837512 797.0019985529243 350.41098 C21H22N2O3 1 759.55 6295 6972 M+Cl+NaCOOH 192207 464.211509 464.2122722304134 542.8065898888932 361.25468 C13H17BrN2O3S 1 711.5 +6296 6244 M+Cl+NaCOOH 610530 429.30004899999983 429.2991621172817 655.0689719674988 326.34321999999986 C19H18O5 1 845.23 +6303 2484 M+Cl+NaCOOH 371842 261.151789 261.152603122919 194.33166722030333 158.19496 C8H14O3 1 668.13 +6309 3925 M+Cl+NaCOOH 591443 321.1804722 321.1806297028966 510.60977772717877 218.2236432 C13H11FO2 1 815.84 +6310 5588 M+Cl+NaCOOH 126374 398.25284899999986 398.25304129088926 555.546328800081 295.2960199999999 C15H13N5O2 1 553.15 +6311 5589 M+Cl+NaCOOH 126374 398.25284899999986 398.25410866969537 565.3037693235789 295.2960199999999 C15H13N5O2 1 553.15 +6312 4560 M+Cl+NaCOOH 418018 350.24650899999995 350.24685270276143 866.1879585419958 247.28967999999998 C14H17NO3 1 685.73 +6313 1804 M+Cl+NaCOOH 43249 228.08210899999997 228.08114698560664 167.97892819087377 125.12527999999998 C6H7NO2 1 635.24 +6314 4839 M+Cl+NaCOOH 684413 363.2022089999999 363.2022863471243 504.6437455470133 260.24537999999995 C13H12N2O4 1 672.55 +6315 5076 M+Cl+NaCOOH 657321 374.24798899999996 374.2474134446069 869.0009913098183 271.29116 C14H9NO3S 1 937.35 6316 6245 M+Cl+NaCOOH 639803 429.303349 429.30274786266716 626.6364992353829 326.34652 C18H18N2O4 1 688.34 +6317 6756 M+Cl+NaCOOH 344863 453.284989 453.2842192242088 646.4326528398219 350.32815999999997 C18H14N4O4 1 752.27 +6318 6673 M+Cl+NaCOOH 304398 449.2585185999999 449.2565563424482 548.3767736444377 346.3016895999999 C15H17F3N2O4 0 671.94 +6319 4754 M+Cl+NaCOOH 694100 359.19157000000007 359.1918227481706 252.34176057287635 256.2347410000001 C12H17O4P 1 715.42 +6323 3379 M+Cl+NaCOOH 662567 299.2229090000001 299.2215489758615 700.7637717054438 196.26608000000004 C10H12O2S 1 754.93 +6324 2949 M+Cl+NaCOOH 397185 281.184489 281.185688701175 429.06325770329903 178.22766000000001 C11H14O2 1 774.54 +6327 5586 M+Cl+NaCOOH 391512 398.24470899999994 398.24451200512465 880.0875039315945 295.2878799999999 C14H17NO6 1 760.46 +6328 5587 M+Cl+NaCOOH 391512 398.24470899999994 398.24557514119556 888.1799060362002 295.2878799999999 C14H17NO6 1 760.46 +6329 3268 M+Cl+NaCOOH 443595 294.206389 294.20634719930325 680.8765701060818 191.24956 C10H9NOS 1 571.05 +6332 4726 M+Cl+NaCOOH 45400 358.150989 358.149670508589 512.1869031955999 255.19415999999998 C6H9N9O3 1 156.48 +6333 4185 M+Cl+NaCOOH 355292 332.2775889999999 332.27897575916376 842.6696431766774 229.32075999999992 C14H19N3 1 788.17 6335 9791 M+Cl+NaCOOH 55253 666.5997490000001 666.6016646210306 1034.1282136831387 563.6429200000001 C34H33N3O5 1 743.59 6338 4820 M+Cl+NaCOOH 579501 362.23239219999994 362.23304988279546 674.6664574941999 259.27556319999997 C15H14FNO2 0 770.85 6341 6883 M+Cl+NaCOOH 718181 458.34610900000007 458.3470306224045 831.5319517106446 355.38928000000004 C22H17N3O2 1 897.45 6342 5668 M+Cl+NaCOOH 726177 403.049259 403.04750979799854 322.9542175967804 300.09243 C11H9IO2 0 992.5 +6345 3651 M+Cl+NaCOOH 516912 309.240949 309.23964015972786 867.9633474118493 206.28412 C12H18N2O 1 113.92 +6347 5008 M+Cl+NaCOOH 250910 371.29040899999995 371.289930507917 643.4974556201536 268.3335799999999 C15H12N2OS 1 934.38 6349 5709 M+Cl+NaCOOH 182415 404.27726899999993 404.2790828711569 627.6311216809042 301.32043999999996 C14H11N3O3S 1 805.5 +6353 5014 M+Cl+NaCOOH 396563 372.101729 372.10037720160284 865.8730503166845 269.1449 C9H10Cl2O3S 0 988.6 +6356 7672 M+Cl+NaCOOH 76892 503.33555539999986 503.3369568623808 641.4332162463254 400.3787263999999 C20H18F2N4O3 1 673.81 +6358 3855 M+Cl+NaCOOH 224531 318.21124899999995 318.2097135776042 628.719180246612 215.25441999999995 C11H13N5 1 716.93 6361 3826 M+Cl+NaCOOH 727054 317.1405986 317.14145218742544 476.38666082048326 214.18376959999998 C11H9F3O 1 1058.91 6362 6073 M+Cl+NaCOOH 222065 421.7084289999999 421.7074579382962 245.31396126992402 318.7515999999999 C17H15ClO4 0 1044.23 6363 2705 M+Cl+NaCOOH 233925 270.118789 270.11806398494264 365.5065289893058 167.16196 C8H9NO3 1 579.83 6364 4467 M+Cl+NaCOOH 657260 345.273049 345.2747659178281 608.9421837684372 242.31622 C15H18N2O 1 130.34 +6368 4015 M+Cl+NaCOOH 540717 325.200589 325.2008410707261 571.7904091897705 222.24375999999998 C10H14N4O2 1 190.55 6369 2822 M+Cl+NaCOOH 141937 275.16504899999995 275.1640939859354 988.5461075472089 172.20821999999998 C5H8N4OS 1 392.89 +6372 2635 M+Cl+NaCOOH 177585 267.157909 267.15909522988 524.9483949893482 164.20108000000002 C10H12O2 1 761.42 6376 5094 M+Cl+NaCOOH 30657 375.236049 375.2375242783733 616.7590789466151 272.27922 C13H8N2O3S 1 867.49 +6377 4136 M+Cl+NaCOOH 112180 330.18218899999994 330.18071661400506 395.7546309323389 227.22535999999994 C10H9N7 1 681.03 6379 2792 M+Cl+NaCOOH 738588 274.107489 274.1069601986587 497.0050925680942 171.15066000000002 C7H9NO4 1 532.01 6381 2630 M+Cl+NaCOOH 89678 267.113309 267.11285902241207 573.1306897224895 164.15648000000002 C6H12O5 1 397.82 +6386 3670 M+Cl+NaCOOH 67901 310.18594900000005 310.1844159157943 532.119431031801 207.22912000000002 C10H13N3O2 1 676.68 6387 3671 M+Cl+NaCOOH 67901 310.18594900000005 310.18632501897423 464.20008961124734 207.22912000000002 C10H13N3O2 1 676.68 +6388 8624 M+Cl+NaCOOH 722991 564.468049 564.4655625331727 1116.3044452641332 461.51122 C29H23N3O3 0 886.81 +6390 8626 M+Cl+NaCOOH 722991 564.468049 564.4691580248689 1079.2260344736073 461.51122 C29H23N3O3 1 886.81 6391 7179 M+Cl+NaCOOH 225490 475.2893090000001 475.28886587633133 743.1982323474298 372.3324800000001 C18H27Cl2N3O 1 598.02 6392 5011 M+Cl+NaCOOH 479830 371.3252722 371.32621876182145 832.4118392579225 268.3684432 C19H21F 1 1337.18 6395 4883 M+Cl+NaCOOH 657771 365.2229289999999 365.22184030727874 655.8534361513766 262.26609999999994 C15H10N4O 1 836.64 +6401 1683 M+Cl+NaCOOH 539006 222.075989 222.07605071754537 723.4445920827443 119.11915999999998 C4H9NO3 1 65.6 +6403 3690 M+Cl+NaCOOH 40998 311.167409 311.16859912006186 485.3251583614907 208.21058000000005 C11H12O4 1 816.6 +6405 8815 M+Cl+NaCOOH 501825 577.3710089999998 577.3717557821931 765.4334869793224 474.4141799999998 C23H22O11 1 735.33 6406 8816 M+Cl+NaCOOH 501825 577.3710089999998 577.3736143419442 723.5581298950942 474.4141799999998 C23H22O11 1 735.33 +6409 1155 M+Cl+NaCOOH 349793 192.054603838 192.05427863047885 296.2480933983063 89.09777483799999 C4H8O2 1 483.46 6410 4043 M+Cl+NaCOOH 546950 326.26816900000006 326.2686016390845 858.5598036799272 223.31134000000003 C13H21NO2 1 375.86 +6411 4556 M+Cl+NaCOOH 25060 350.20674899999995 350.2062112549668 527.2912503176411 247.24991999999997 C12H13N3O3 0 636.23 +6412 6957 M+Cl+NaCOOH 497634 463.23142900000005 463.2321352567093 674.5964363736592 360.2746000000001 C22H20N2Ti-- 1 941.55 +6413 4621 M+Cl+NaCOOH 491162 353.233829 353.2321756600579 598.2799584024987 250.277 C10H10N4O2S 1 534.84 +6414 2750 M+Cl+NaCOOH 670734 272.096449 272.0952991383287 282.66010978780366 169.13962 C9H3N3O 1 719.55 +6415 3292 M+Cl+NaCOOH 559290 295.211069 295.2124021934919 265.84487662542733 192.25424 C12H16O2 1 828.81 +6418 6661 M+Cl+NaCOOH 142310 448.348209 448.3494224834656 1011.0830777921396 345.39137999999997 C15H27N3O6 0 432.33 6421 4808 M+Cl+NaCOOH 698880 361.29558899999995 361.29423438900244 658.022169395471 258.33876 C14H14N2OS 1 841.69 6425 2049 M+Cl+NaCOOH 553358 240.139169 240.13815568022395 678.6736680003992 137.18234 C7H11N3 1 533.07 6426 1885 M+Cl+NaCOOH 20777 231.148949 231.14938524034392 464.02623207573276 128.19212 C6H8OS 1 656.55 +6428 6178 M+Cl+NaCOOH 110608 427.158629 427.15753408521107 363.6986631404299 324.2018 C16H15Cl2NO2 1 948.33 +6429 6179 M+Cl+NaCOOH 110608 427.158629 427.15871392415403 542.0045103254594 324.2018 C16H15Cl2NO2 1 948.33 +6432 7214 M+Cl+NaCOOH 632220 477.2997889999999 477.3000355253787 839.631142155125 374.3429599999999 C22H14O6 1 848.61 6433 5970 M+Cl+NaCOOH 270997 417.2462889999998 417.2482036194748 657.9249745355712 314.28945999999985 C17H14O6 1 836.14 +6434 2915 M+Cl+NaCOOH 46834 280.11690899999996 280.118032880836 612.2569361682051 177.16008 C8H7N3O2 1 466.94 +6435 2894 M+Cl+NaCOOH 676595 278.248509 278.2478566796995 792.4700792397657 175.29167999999999 C8H17NOS 1 677.7 +6438 6241 M+Cl+NaCOOH 707190 429.25908900000013 429.2597815600642 827.9968729162456 326.3022600000001 C15H29Cl2NO2 1 1060.62 +6439 6242 M+Cl+NaCOOH 707190 429.25908900000013 429.2609718610524 756.9428952575145 326.3022600000001 C15H29Cl2NO2 1 1060.62 +6441 3571 M+Cl+NaCOOH 340968 306.217089 306.2172936347094 431.7743921155607 203.26026000000002 C11H9NOS 1 670.92 6442 2676 M+Cl+NaCOOH 9760 269.11208999999997 269.11306716923 253.52407591349453 166.15526099999997 C6H15O3P 1 764.9 6443 5779 M+Cl+NaCOOH 191427 408.2760153999999 408.2745788239024 667.1882982191905 305.3191863999999 C17H17F2NO2 1 1075.68 +6447 5077 M+Cl+NaCOOH 241772 374.25257 374.2537309090799 545.7431919905479 271.295741 C12H22N3O2P 1 606.88 +6450 3835 M+Cl+NaCOOH 101994 317.19512900000007 317.196146069777 584.2272760923676 214.23830000000004 C9H10O4S 1 697.88 +6451 4496 M+Cl+NaCOOH 606603 347.18417 347.18508046968867 634.6227758160443 244.227341 C10H17N2O3P 1 658.46 +6452 2949 M+Cl+NaCOOH 288345 281.18448900000004 281.185688701175 429.06325770329903 178.22766000000004 C11H14O2 1 850.06 +6456 2889 M+Cl+NaCOOH 364978 278.183849 278.18246885899805 661.7644460977897 175.22702 C11H13NO 1 657.46 6458 3250 M+Cl+NaCOOH 363681 293.238249 293.2387655777486 664.1638061874594 190.28142 C13H18O 1 862.66 +6459 5172 M+Cl+NaCOOH 288452 380.1700890000001 380.17036689045665 421.2154079123707 277.21326000000005 C11H14Cl2N2S 1 975.26 +6460 3186 M+Cl+NaCOOH 241495 291.08507540000005 291.0861692185411 346.2511431335754 188.12824640000002 C8H6F2O3 0 724.02 6462 4541 M+Cl+NaCOOH 124083 349.218689 349.2179873600888 864.9566011977478 246.26185999999998 C13H14N2O3 1 704.17 +6463 2862 M+Cl+NaCOOH 389173 277.108129 277.1074469173429 513.6769755781936 174.15130000000002 C7H10O5 1 652.7 +6466 2634 M+Cl+NaCOOH 6409 267.157909 267.1573387967807 761.51616972322 164.20108000000002 C10H12O2 1 750.98 6469 3710 M+Cl+NaCOOH 34989 312.15546900000004 312.15543543824 258.8824000504358 209.19864000000004 C10H11NO4 1 785.4 6471 2949 M+Cl+NaCOOH 283519 281.184489 281.185688701175 429.06325770329903 178.22766 C11H14O2 1 758.63 +6472 4292 M+Cl+NaCOOH 218736 337.17152899999996 337.17027729612835 151.40404941248565 234.21469999999997 C9H10N6O2 1 491.77 +6473 3436 M+Cl+NaCOOH 351334 301.21727219999997 301.216432495869 626.4542285169293 198.26044319999997 C9H11FN2S 1 704.52 +6477 8199 M+Cl+NaCOOH 433330 535.3789289999996 535.3783296911394 1094.7168286335132 432.42209999999966 C25H20O7 1 884.86 6479 4894 M+Cl+NaCOOH 45065 366.138329 366.1396569079665 238.23599874658083 263.1815 C7H5NO8S 1 424.91 6480 3279 M+Cl+NaCOOH 553532 295.110089 295.11101197058053 333.2029070380454 192.15326000000002 C3H4N4O4S 1 565.91 +6482 5533 M+Cl+NaCOOH 167449 396.1126489999999 396.11272297918083 472.6992684631206 293.15581999999995 C14H13BrO2 1 1020.44 +6485 4091 M+Cl+NaCOOH 700887 328.202769 328.20123447214075 544.4541842234696 225.24594 C13H11N3O 1 673.53 6486 3760 M+Cl+NaCOOH 495045 314.174649 314.17383200255296 455.2402369832595 211.21782 C9H13N3O3 1 554.76 +6489 7889 M+Cl+NaCOOH 661077 516.2054489999998 516.2057849605825 489.4929860896728 413.24861999999985 C19H18Cl2O6 1 880.83 6490 7890 M+Cl+NaCOOH 661077 516.2054489999998 516.2073653969563 465.29995626611213 413.24861999999985 C19H18Cl2O6 1 880.83 +6491 2740 M+Cl+NaCOOH 677876 271.189669 271.1903058650231 577.7546485876678 168.23284 C10H16O2 1 964.87 +6492 4218 M+Cl+NaCOOH 724048 334.129389 334.1278795573477 531.2288521084649 231.17256 C11H19Br 1 1261.79 +6493 6952 M+Cl+NaCOOH 403579 463.1907289999999 463.19266698642423 216.26954270787104 360.23389999999995 C19H15Cl2NO2 1 1127.04 6494 7236 M+Cl+NaCOOH 229279 478.28630899999985 478.28666211003224 713.2816693540774 375.3294799999998 C18H17NO8 1 651.45 6495 5292 M+Cl+NaCOOH 45495 386.19094900000005 386.1916279604927 324.82355916978446 283.23412 C12H13NO7 0 834.97 +6497 3791 M-H+CF3COOH 407473 315.234646 315.2358015488712 601.6330782997009 202.24906 C13H14O2 1 941.44 6499 5863 M-H+CF3COOH 572860 412.2523756 412.25209082520036 410.14771543212316 299.2667896 C10H12F3NO4S 1 990 6500 4140 M-H+CF3COOH 657534 330.227826 330.22757735296966 473.48324012688835 217.24224 C8H11NO4S 1 886.02 6501 6620 M-H+CF3COOH 98329 447.223726 447.22157478257907 521.7954352156099 334.23814 C15H21Cl2NO3 0 1042.81 6502 6621 M-H+CF3COOH 98329 447.223726 447.22284342500336 529.7417642062351 334.23814 C15H21Cl2NO3 1 1042.81 6503 4718 M-H+CF3COOH 239497 357.231566 357.229927699203 452.6857793198114 244.24597999999997 C13H12N2O3 1 646.9 +6504 1742 M-H+CF3COOH 393910 225.1104692 225.1097282762496 798.7039292062805 112.1248832 C6H7FN+ 1 431.58 +6505 1743 M-H+CF3COOH 393910 225.1104692 225.11041010397622 417.2876793827997 112.1248832 C6H7FN+ 1 431.58 +6507 4136 M-H+CF3COOH 723512 330.18150600000007 330.18071661400506 395.7546309323389 217.19592000000006 C9H13O6- 1 710.23 +6508 3544 M-H+CF3COOH 92812 305.243126 305.2429033252195 344.83382315293835 192.25754 C11H16N2O 1 172.79 +6509 5693 M-H+CF3COOH 523347 403.3198459999999 403.31981328196247 740.7154023720442 290.3342599999999 C15H14O4S 1 921.07 +6510 5694 M-H+CF3COOH 523347 403.3198459999999 403.3208919282922 749.3613816479217 290.3342599999999 C15H14O4S 1 921.07 +6511 4449 M-H+CF3COOH 595776 345.1018156 345.1003517992293 510.8980219419606 232.11622960000003 C8H3F3N2O3 1 776.4 6519 2105 M-H+CF3COOH 483891 243.087626 243.0868450981143 373.4333723400372 130.10204 C4H6N2O3 1 172.75 6520 2311 M-H+CF3COOH 590394 253.08244599999995 253.0815996939195 299.73899545456163 140.09685999999996 C5H4N2O3 1 534.63 +6521 2773 M-H+CF3COOH 35515 273.098047 273.0968287892627 261.56279356972135 160.112461 C8H5N2P 1 726.48 +6522 3068 M-H+CF3COOH 628005 286.1207356 286.122051392242 307.45415730217985 173.1351496 C8H6F3N 1 705.06 6526 4274 M-H+CF3COOH 615332 336.25386599999996 336.25263062621815 706.3466433355037 223.26827999999998 C12H17NO3 1 433.35 +6528 2489 M-H+CF3COOH 295719 261.185726 261.1848870270874 585.0673809010664 148.20014 C7H16O3 1 597.01 +6530 3155 M-H+CF3COOH 661530 289.175906 289.1756500301031 375.2521932500783 176.19032 C6H8O4S 1 646.39 +6531 3223 M-H+CF3COOH 446232 292.201306 292.20192232880606 249.15718763866164 179.21571999999998 C10H13NO2 1 672.33 +6532 2885 M-H+CF3COOH 41343 278.14990919999997 278.14978736794137 271.1951327560732 165.16432319999998 C9H8FNO 1 613.77 +6533 5798 M-H+CF3COOH 253840 409.25984919999996 409.25826439456455 650.0052538288239 296.27426319999995 C12H9FN2O4S 0 759.86 +6535 4138 M-H+CF3COOH 498574 330.20952600000004 330.21002237815026 476.3122783989668 217.22394000000003 C11H11N3O2 1 553.92 6536 7358 M-H+CF3COOH 66102 485.26806599999986 485.2680356920755 697.1208820308784 372.28247999999985 C18H12O9 1 752.98 6537 2948 M-H+CF3COOH 251020 281.175366 281.17489943310926 593.9019428678739 168.18978 C9H12O3 1 700.59 +6538 4581 M-H+CF3COOH 314655 351.203507 351.2021396178888 474.4425892570945 238.21792100000002 C9H19O5P 1 758.81 6539 7397 M-H+CF3COOH 122516 487.3285459999998 487.3301891135973 870.1321920489241 374.3429599999998 C22H14O6 1 808.34 6543 4676 M-H+CF3COOH 22682 355.257206 355.25890267688976 412.32117932634367 242.27161999999998 C11H18N2O4 1 669.32 +6544 2629 M-H+CF3COOH 379931 267.105726 267.10572050243803 485.0946073315373 154.12014 C7H6O4 1 497.65 +6546 3689 M-H+CF3COOH 511273 311.164886 311.1643659043198 654.1335324140849 198.1793 C7H10N4O3 1 491.95 6547 5026 M-H+CF3COOH 555479 372.2363323999999 372.237998092262 484.25499538190917 259.2507463999999 C15H11F2NO 1 993.06 6550 3814 M-H+CF3COOH 664738 316.247606 316.2484075258055 632.4985992734071 203.26202 C7H13N3O2S 1 657.88 6551 3308 M-H+CF3COOH 54002 296.193306 296.1939544040327 604.2199323108148 183.20772000000002 C8H13N3O2 1 571.51 6556 2316 M-H+CF3COOH 429082 253.122206 253.12251915710527 700.6987798014623 140.13662 C7H8O3 1 675.1 6557 6140 M-H+CF3COOH 269339 425.21940599999994 425.2213264470272 495.31942064555204 312.2338199999999 C15H8N2O6 1 696.63 6559 4293 M-H+CF3COOH 666238 337.174106 337.17563185440855 418.22663788895164 224.18852 C6H8O7S 1 467.64 +6560 7103 M-H+CF3COOH 370426 471.22022519999985 471.2186901784451 423.78834515780443 358.23463919999983 C17H8F6O2 1 913.72 +6561 7104 M-H+CF3COOH 370426 471.22022519999985 471.2200601401538 547.9907475424429 358.23463919999983 C17H8F6O2 1 913.72 +6565 4300 M-H+CF3COOH 338891 337.238626 337.23711982949914 649.5794797414187 224.25304 C12H16O4 1 851.86 +6566 3640 M-H+CF3COOH 307448 309.145706 309.1443092376554 392.9817487598288 196.16012 C8H8N2O4 0 523.5 +6570 3223 M-H+CF3COOH 16656 292.20130600000005 292.20192232880606 249.15718763866164 179.21572000000003 C10H13NO2 1 744.19 6571 4676 M-H+CF3COOH 482409 355.258746 355.25890267688976 412.32117932634367 242.27315999999996 C14H14N2O2 1 664.76 +6574 1273 M-H+CF3COOH 435010 199.078126 199.0790156278202 424.80504093134954 86.09254 C3H6N2O 0 253.93 6575 4135 M-H+CF3COOH 62109 330.17329559999996 330.1730575990739 461.16781366691396 217.18770959999998 C10H10F3NO 1 876.62 6576 6269 M-H+CF3COOH 502032 430.2972292 430.2951686054147 678.4967921222309 317.3116432 C17H16FNO4 0 801.62 +6580 5057 M-H+CF3COOH 690900 373.3221459999999 373.32265403802927 959.746894800155 260.3365599999999 C10H24N6O2 1 10.96 +6581 2535 M-H+CF3COOH 644641 263.1783292 263.1795751651422 811.0508215120199 150.1927432 C10H11F 1 956.05 +6585 4466 M-H+CF3COOH 285656 345.262386 345.263144604873 752.5607861006358 232.2768 C10H20N2O4 1 597.04 6586 7377 M-H+CF3COOH 227042 486.30436600000013 486.30538219803543 714.0386220708393 373.3187800000001 C21H22Cl2N2 1 773.57 +6588 2372 M-H+CF3COOH 407523 256.126146 256.1261937396631 566.9319966720541 143.14056 C6H9NO3 1 128.72 6589 4584 M-H+CF3COOH 614851 351.22698599999995 351.2276436846247 539.858707837819 238.24139999999997 C14H10N2O2 1 664.41 +6591 1972 M-H+CF3COOH 447643 236.09498599999998 236.0951278843638 320.65317789492366 123.10939999999998 C6H5NO2 1 530.67 +6593 3435 M-H+CF3COOH 562291 301.211366 301.2122839069069 584.9003922348369 188.22578 C11H12N2O 1 758.43 +6595 4796 M-H+CF3COOH 569582 361.1674156 361.1685430203271 487.7188879324566 248.18182960000001 C8H3F3N2O2S 1 770.03 +6599 5630 M-H+CF3COOH 196682 401.12884519999994 401.1294362519544 255.35983474572512 288.14325919999993 C10H6F6O3 0 844.76 6600 5122 M-H+CF3COOH 410826 377.146546 377.14532200143293 407.5370615952761 264.16096 C13H14BrN 1 945.01 +6601 4533 M-H+CF3COOH 203915 349.1302756 349.1320093217153 354.42977313622504 236.14468960000002 C9H7F3O4 1 818.01 6602 4058 M-H+CF3COOH 677125 327.1247556 327.1255688946472 411.24816735376703 214.1391696 C7H9F3O4 0 747.94 6603 3223 M-H+CF3COOH 445873 292.20130600000005 292.20192232880606 249.15718763866164 179.21572000000003 C10H13NO2 1 744.37 6604 4498 M-H+CF3COOH 382365 347.193686 347.19211394428754 285.99117500336706 234.2081 C11H10N2O4 1 666.46 +6606 5685 M-H+CF3COOH 583161 403.2321291999999 403.23178417096466 678.0266450519105 290.2465431999999 C14H11FN2O4 1 648.6 +6607 5686 M-H+CF3COOH 583161 403.2321291999999 403.2328682811599 660.9069178353927 290.2465431999999 C14H11FN2O4 1 648.6 +6609 2901 M-H+CF3COOH 849101 279.159486 279.15918402004877 638.0115596939492 166.1739 C9H10O3 1 680.8 +6610 5706 M-H+CF3COOH 82736 404.24500599999993 404.2430911092365 688.8461591635258 291.2594199999999 C13H13N3O5 1 507.83 6611 6298 M-H+CF3COOH 570345 431.39292599999993 431.3920142430444 893.3682866748677 318.4073399999999 C19H26O4 1 670.56 6612 5994 M-H+CF3COOH 673726 418.20564599999994 418.20712617796073 391.82971515796805 305.22005999999993 C13H14Cl2O2S 0 1153.15 +6618 2585 M-H+CF3COOH 449527 265.179266 265.17981903401227 588.3639424604254 152.19368 C8H12N2O 1 602.09 +6620 2605 M-H+CF3COOH 46744 266.120966 266.1216931492191 369.38917540349536 153.13538 C7H7NO3 1 597.97 +6621 2210 M-H+CF3COOH 621195 248.14874599999996 248.14880798424883 341.43207856321055 135.16315999999998 C8H9NO 1 263.02 +6623 3273 M-H+CF3COOH 375994 294.3416292 294.3414046733704 778.8145694983351 181.3560432 C5H16FNOSi2 1 1041.95 +6625 2397 M-H+CF3COOH 31252 257.11420599999997 257.11321250718044 216.63969465370545 144.12861999999998 C5H8N2O3 1 608.9 +6626 4109 M-H+CF3COOH 728317 329.1588788 329.159491255188 484.5581211459237 216.1732928 C8H12F4O2 1 774.47 6627 4040 M-H+CF3COOH 528445 326.217526 326.2173992947892 559.4069383054612 213.23194 C13H11NO2 1 712.1 +6628 2546 M-H+CF3COOH 412295 264.10508600000003 264.1060488673967 343.92254251207197 151.1195 C7H5NO3 1 433.7 +6629 2547 M-H+CF3COOH 412295 264.10508600000003 264.1060497719122 848.1760055932097 151.1195 C7H5NO3 1 433.7 +6632 4672 M-H+CF3COOH 504959 355.212386 355.2108353025064 607.5035075622493 242.22679999999997 C14H10O4 1 772.22 6634 1370 M-H+CF3COOH 475630 204.094646 204.0949334377926 271.1468397536218 91.10906 C3H9NO2 1 206.36 +6635 2820 M-H+CF3COOH 196340 275.1492692 275.1486285058248 469.7024105450122 162.16368319999998 C9H7FN2 1 572.85 +6636 5136 M-H+CF3COOH 435638 377.32716600000003 377.32539454828077 910.3821045728359 264.34158 C17H12OS 1 1080.69 +6639 6616 M-H+CF3COOH 8855 447.204747 447.20253787767814 244.63394940480413 334.219161 C11H15N2O8P 0 211.11 +6640 6617 M-H+CF3COOH 8855 447.204747 447.2038063882129 538.7882960050059 334.219161 C11H15N2O8P 0 211.11 +6641 6618 M-H+CF3COOH 8855 447.204747 447.20510870237047 570.1636425155652 334.219161 C11H15N2O8P 0 211.11 6642 5029 M-H+CF3COOH 602761 372.26450600000004 372.2648954211529 666.0087688572794 259.27892 C10H13NO5S 1 701.35 +6645 4535 M-H+CF3COOH 508498 349.149407 349.1499861158548 361.3554515261327 236.163821 C10H9N2O3P 0 476.37 6647 3294 M-H+CF3COOH 677621 295.245006 295.24592733674143 767.2658032566966 182.25942 C11H18O2 1 739.77 6649 3836 M-H+CF3COOH 227228 317.207466 317.2070129967029 509.96986485492806 204.22188000000003 C12H12O3 1 744.82 +6650 7755 M-H+CF3COOH 494519 508.2802283999998 508.28271825255905 601.3089298395879 395.2946423999998 C16H8F7NOS 1 723.76 6653 3309 M-H+CF3COOH 255736 296.2082492 296.20688605082887 388.56463351724324 183.22266320000003 C10H14FNO 1 649.05 6654 7397 M-H+CF3COOH 733058 487.33064600000006 487.3301891135973 870.1321920489241 374.34506000000005 C19H29Cl2NO2 1 901.37 +6655 7398 M-H+CF3COOH 733058 487.33064600000006 487.3316311028812 851.0661619031285 374.34506000000005 C19H29Cl2NO2 1 901.37 +6656 5499 M-H+CF3COOH 291606 394.30138600000004 394.3004182000173 935.8451103846207 281.3158 C14H15N7 1 584.34 +6657 2882 M-H+CF3COOH 571542 278.138266 278.13814834577454 532.0927980388491 165.15268 C6H7N5O 0 297.37 6660 3308 M-H+CF3COOH 390010 296.194846 296.1939544040327 604.2199323108148 183.20926 C11H9N3 1 614.97 +6663 7116 M-H+CF3COOH 472434 471.3509960000001 471.35071663781105 712.6608360947652 358.3654100000001 C14H31IS 1 1074.51 6664 2796 M-H+CF3COOH 367738 274.142966 274.1437850055192 508.8373134628499 161.15738000000002 C9H7NO2 1 679.35 +6668 2330 M-H+CF3COOH 277048 254.09698599999996 254.09614894390518 335.5429162807434 141.11139999999997 C3H5N6O+ 0 625.9 +6669 2029 M-H+CF3COOH 280008 239.138686 239.13926268342442 422.4140826791838 126.1531 C7H10O2 1 640.28 +6671 2636 M-H+CF3COOH 472035 267.170386 267.1702300427755 436.4577536363012 154.1848 C4H10O4S 0 312.54 +6672 3836 M-H+CF3COOH 615851 317.207466 317.2070129967029 509.96986485492806 204.22188 C12H12O3 1 768.12 +6674 5277 M-H+CF3COOH 584960 385.238366 385.2371113120333 635.6036607239897 272.25278 C15H12O5 1 757.32 6675 5560 M-H+CF3COOH 274612 397.20600599999995 397.20780554413784 355.13716546880363 284.22041999999993 C15H8O6 1 784.78 +6677 5975 M-H+CF3COOH 533128 417.28352599999994 417.2836532323175 739.2495690669255 304.2979399999999 C15H16N2O5 0 643.14 +6679 3923 M-H+CF3COOH 345070 321.16924599999993 321.1697974644998 602.829775495594 208.18365999999995 C16H9Li 1 1119.95 6680 3808 M-H+CF3COOH 857635 316.182946 316.18414176542854 569.4409061277096 203.19736 C10H9N3O2 1 438.9 6681 6387 M-H+CF3COOH 570079 436.18210700000003 436.18077359779994 355.82435767101504 323.196521 C9H14N3O8P 0 195.8 +6682 6388 M-H+CF3COOH 570079 436.18210700000003 436.18200051632255 398.2109289858722 323.196521 C9H14N3O8P 0 195.8 +6683 4734 M-H+CF3COOH 409741 358.25938599999995 358.25913043133284 590.5564780775951 245.27379999999997 C14H15NO3 1 683.11 6684 1790 M-H+CF3COOH 17493 227.154426 227.15415779746118 1023.702233919094 114.16883999999999 C4H6N2S 1 306.45 6685 7954 M-H+CF3COOH 110891 519.333946 519.3329357329476 759.0871026681033 406.34835999999996 C20H14N4O6 1 797.94 6687 5469 M-H+CF3COOH 637237 393.26212599999997 393.2634292960339 808.9454431349968 280.27653999999995 C13H16N2O5 1 426.68 +6688 5173 M-H+CF3COOH 720010 380.18174700000003 380.18057798875884 539.1048537557543 267.196161 C7H10NO6PS 1 264.69 6689 3267 M-H+CF3COOH 404304 294.197266 294.19621484336955 1039.950788273796 181.21168 C8H7NO2S 1 736.75 6690 3071 M-H+CF3COOH 513488 286.138806 286.1395233604944 265.0171207254625 173.15321999999998 C3H3N5O2S 1 601.37 +6696 4650 M-H+CF3COOH 81644 354.27082599999994 354.2695468930804 882.7120289019557 241.28523999999996 C6H11NO5S2 1 429.37 +6698 4783 M-H+CF3COOH 418018 360.275266 360.2746348628635 616.7349930056237 247.28967999999998 C14H17NO3 1 685.73 +6700 6595 M-H+CF3COOH 678019 446.2356659999999 446.2370945376174 566.5095754841493 333.2500799999999 C16H22Cl2O3 1 1335.49 +6701 4409 M-H+CF3COOH 513670 343.095387 343.095240906456 309.84707771442135 230.109801 C5H11O8P-- 1 238.36 +6702 2285 M-H+CF3COOH 479088 251.237186 251.23716343580654 839.738242923298 138.2516 C4H10OS2 1 572.15 +6703 6140 M-H+CF3COOH 517331 425.21974600000004 425.2213264470272 495.31942064555204 312.23416000000003 C16H19Cl2NO 1 632.34 +6704 4421 M-H+CF3COOH 303804 343.22328600000003 343.22317633524926 477.0670294045764 230.23770000000005 C9H10O5S 1 718.72 +6706 3735 M-H+CF3COOH 559027 313.1460755999999 313.14691278035247 460.13492707396733 200.16048959999992 C9H7F3N2 1 770.37 +6707 2734 M-H+CF3COOH 325677 271.13748599999997 271.1367808040046 482.43195390849735 158.15189999999998 C7H10O4 1 678.9 6708 5366 M-H+CF3COOH 207219 389.25632700000006 389.25685092768003 380.61801297742187 276.27074100000004 C14H17N2O2P 1 615.74 6710 5779 M-H+CF3COOH 391512 408.2734659999999 408.2745788239024 667.1882982191905 295.2878799999999 C14H17NO6 1 760.46 6711 3514 M-H+CF3COOH 443595 304.235146 304.23475693376076 700.861961189452 191.24956 C10H9NOS 1 571.05 +6713 6761 M-H+CF3COOH 400884 453.3984459999999 453.396909061703 915.2156992508295 340.4128599999999 C21H24O4 1 970.11 +6715 7558 M-H+CF3COOH 81980 496.211526 496.212617019646 401.75917858788296 383.22594 C17H16Cl2N2O4 0 1043.06 +6716 4539 M-H+CF3COOH 580566 349.19969239999995 349.20069505475516 596.6286272447704 236.21410639999996 C13H10F2O2 1 858.76 +6717 4627 M-H+CF3COOH 678922 353.307526 353.30904608098047 841.8697408450336 240.32193999999998 C11H16N2O2S 1 693.82 +6718 4274 M-H+CF3COOH 288279 336.25386599999996 336.25263062621815 706.3466433355037 223.26827999999998 C12H17NO3 1 539.59 6720 2282 M-H+CF3COOH 445775 251.17582599999997 251.1754108430258 383.57216546955203 138.19024 C6H6N2S 1 562 6721 2303 M-H+CF3COOH 313897 252.232726 252.2322390411483 751.383912471611 139.24714 C7H11OSi 1 661.77 +6725 3544 M-H+CF3COOH 140108 305.243126 305.2429033252195 344.83382315293835 192.25754 C11H16N2O 1 321.92 +6728 3811 M-H+CF3COOH 626874 316.222706 316.22275042575365 301.8150300601131 203.23712 C12H13NO2 1 792.59 6735 4087 M-H+CF3COOH 566806 328.1574156 328.1574591461231 467.90466627530054 215.17182959999997 C10H8F3NO 1 777.04 +6737 3812 M-H+CF3COOH 114366 316.2260059999999 316.2247636641863 768.5666879418699 203.24041999999994 C11H13N3O 1 483.63 +6739 5107 M-H+CF3COOH 710329 376.18854600000003 376.18981608702217 365.5740820945274 263.20296 C12H9NO6 1 732.56 +6740 2283 M-H+CF3COOH 13515 251.19244600000002 251.19143688817954 778.1953225538011 138.20686000000003 C9H14O 1 852.3 +6742 4804 M-H+CF3COOH 90417 361.260026 361.2591310433705 757.364010846508 248.27444 C14H16O4 1 873.82 +6744 3653 M-H+CF3COOH 12749 309.274886 309.2760089302649 886.3894017859195 196.2893 C11H20N2O 1 706.76 +6746 5866 M-H+CF3COOH 735852 412.3067659999999 412.3048856564629 719.1418826770237 299.3211799999999 C17H17NO4 1 718.06 +6749 4823 M-H+CF3COOH 724475 362.252926 362.2537978647829 533.620120648014 249.26734 C15H11N3O 1 797.52 6755 6606 M-H+CF3COOH 127920 446.32628600000004 446.3256518626039 613.9955100231704 333.3407 C19H15N3O3 1 844.73 6756 3171 M-H+CF3COOH 542454 290.16060919999995 290.1596869194668 334.38600723966215 177.17502319999997 C10H8FNO 1 382.89 6757 3390 M-H+CF3COOH 345342 300.10755559999996 300.1070427106643 242.01594022142737 187.12196959999997 C7H4F3N3 1 736.81 6758 3906 M-H+CF3COOH 62753 320.234546 320.23494701722063 917.5417116095999 207.24896000000004 C10H9NO2S 1 774.62 +6760 5838 M-H+CF3COOH 586826 411.1996555999999 411.20052964190904 554.5361599756884 298.2140695999999 C14H9F3O4 1 844.28 6766 5095 M-H+CF3COOH 657771 375.25168599999995 375.2504568520891 772.2584053162834 262.26609999999994 C15H10N4O 1 836.64 6767 5714 M-H+CF3COOH 219814 404.329366 404.32817417430016 1010.148722695161 291.34378 C19H17NO2 1 1007.33 6768 3214 M-H+CF3COOH 558536 292.121786 292.1209061138858 374.271481829723 179.13619999999997 C6H5N5O2 1 270.14 +6772 8122 M-H+CF3COOH 567069 531.180006 531.1792616331121 263.4795729323906 418.19442000000004 C21H33NSn 0 675.54 +6773 7366 M-H+CF3COOH 621976 485.86474599999997 485.8653311383667 1140.0023125461662 372.87915999999996 C9H9Br3O 0 1108.12 6776 3653 M-H+CF3COOH 130139 309.274886 309.2760089302649 886.3894017859195 196.28929999999997 C11H20N2O 1 694.49 +6777 3927 M-H+CF3COOH 40998 321.19616600000006 321.1970693581871 693.4462049522983 208.21058000000005 C11H12O4 1 816.6 +6778 4203 M-H+CF3COOH 309924 333.206866 333.2062920797834 604.5359428272982 220.22127999999998 C12H12O4 1 669.73 +6780 6759 M-H+CF3COOH 425027 453.35868600000003 453.3567522555725 750.0747576070116 340.3731 C19H20N2O4 1 751.96 +6781 3539 M-H+CF3COOH 643106 305.196766 305.1956749248693 542.6601605718326 192.21118 C11H12O3 1 666.7 +6782 3000 M-H+CF3COOH 557403 283.23760599999997 283.2378545927529 430.44414010730526 170.25202 C9H18N2O 1 165.66 6783 4779 M-H+CF3COOH 424722 360.23880599999995 360.237707046871 521.2758792894608 247.25321999999997 C11H13N5O2 1 601.33 6784 5564 M-H+CF3COOH 230948 397.25742599999995 397.2577360467426 607.4822522364713 284.27183999999994 C10H16N6O4-- 1 683.23 +6785 6605 M-H+CF3COOH 229746 446.3250860000001 446.3243876141805 469.07504418251165 333.3395000000001 C17H30Cl2N2 1 677.44 +6786 6606 M-H+CF3COOH 229746 446.3250860000001 446.3256518626039 613.9955100231704 333.3395000000001 C17H30Cl2N2 1 677.44 +6787 3543 M-H+CF3COOH 559290 305.239826 305.23908640443943 565.897090739233 192.25424 C12H16O2 1 828.81 6790 4774 M-H+CF3COOH 621958 360.20060600000005 360.2018556382838 399.36447417032673 247.21502000000004 C12H23Br 1 1391 +6791 4203 M-H+CF3COOH 608852 333.20686600000005 333.2062920797834 604.5359428272982 220.22128000000004 C12H12O4 1 709.04 6792 4084 M-H+CF3COOH 428165 328.1391724 328.1389207697927 368.2883602054094 215.1535864 C9H7F2NO3 1 703.58 6793 1731 M-H+CF3COOH 248747 225.025986 225.0253384354399 233.92655828492397 112.04039999999998 C4O4-- 1 528.66 +6795 4178 M-H+CF3COOH 220326 332.182346 332.18132764971296 343.3627804373082 219.19675999999998 C10H9N3O3 1 632.07 6797 4023 M-H+CF3COOH 710345 325.274286 325.27364618042014 718.5851049205214 212.2887 C11H20N2O2 1 88.67 +6798 5369 M-H+CF3COOH 125070 389.27012599999995 389.2681875309729 737.9755864550655 276.28453999999994 C15H16O5 1 843.5 +6799 5370 M-H+CF3COOH 125070 389.27012599999995 389.26922135951037 688.170257094859 276.28453999999994 C15H16O5 1 843.5 +6800 7365 M-H+CF3COOH 302708 485.81100599999996 485.8107212790486 1264.4424710637568 372.82541999999995 C18H13ClN2O3S 0 745.51 +6801 3098 M-H+CF3COOH 530777 287.1599692 287.16001514932 361.36262025653184 174.1743832 C10H7FN2 0 701.83 +6805 2096 M-H+CF3COOH 254043 242.18568599999998 242.18585442797638 356.2912538229394 129.2001 C7H15NO 1 73.08 6806 4479 M-H+CF3COOH 671356 346.185746 346.185791329022 418.923276596216 233.20016 C11H9N2O4- 1 640.32 +6807 7397 M-H+CF3COOH 632220 487.3285459999999 487.3301891135973 870.1321920489241 374.3429599999999 C22H14O6 1 848.61 6809 3881 M-H+CF3COOH 40174 319.228186 319.22687314511995 664.0615192514915 206.24259999999998 C14H10N2 1 916.4 6810 7189 M-H+CF3COOH 641807 476.1783955999999 476.17699387853486 465.615932319158 363.19280959999986 C14H10BrF3OS 0 1295.91 6811 2734 M-H+CF3COOH 306340 271.13748599999997 271.1367808040046 482.43195390849735 158.15189999999998 C7H10O4 1 490.95 +6812 5536 M-H+CF3COOH 603699 396.148126 396.14869122449807 349.39511113268617 283.16254 C16H11Br 1 1170.51 +6814 4778 M-H+CF3COOH 100077 360.23220599999996 360.2318159583655 842.5995551397803 247.24661999999998 C13H13NO4 1 661.54 6815 5623 M-H+CF3COOH 169395 400.304206 400.30541101416765 808.2539410986991 287.31862 C17H13N5 1 870.02 6816 3095 M-H+CF3COOH 265791 287.14018599999997 287.1398547528729 551.225757185617 174.1546 C6H10N2O4 0 123.26 +6817 4645 M-H+CF3COOH 50656 354.226086 354.2272708483802 514.6849380866718 241.2405 C11H15NO5 1 661.18 6818 3483 M-H+CF3COOH 244553 303.180886 303.17999939922083 561.0852325365171 190.1953 C11H10O3 1 783.2 +6819 6140 M-H+CF3COOH 8739 425.2227059999999 425.2213264470272 495.31942064555204 312.2371199999999 C14H8N4O5 1 716.36 +6821 2280 M-H+CF3COOH 604828 251.149386 251.15030531560126 219.41506946490506 138.1638 C8H10O2 1 670.45 6822 7595 M-H+CF3COOH 307307 498.23676599999993 498.2345458123668 535.2308643284072 385.2511799999999 C20H17BrO3 1 1357.52 6824 4162 M-H+CF3COOH 94000 331.194286 331.1942815092175 398.3390124477988 218.2087 C11H10N2O3 1 623.46 6826 6039 M-H+CF3COOH 493143 420.33206599999994 420.3314424719004 932.8995632060205 307.34647999999993 C18H17N3O2 1 671.59 +6827 2401 M-H+CF3COOH 356250 257.137346 257.1383867651874 501.22748205507423 144.15176 C4H4N2O2S 1 165.01 +6828 2629 M-H+CF3COOH 426056 267.105726 267.10572050243803 485.0946073315373 154.12014 C7H6O4 1 612.15 6829 4296 M-H+CF3COOH 709046 337.202166 337.2012289363993 593.730135171677 224.21658 C9H12N4O3 1 558.88 6830 3460 M-H+CF3COOH 419225 302.196126 302.1961432515926 373.9105664640586 189.21054 C11H11NO2 1 627.04 6831 3490 M-H+CF3COOH 363681 303.267006 303.26809310452427 731.7125833421155 190.28142 C13H18O 1 862.66 +6832 4839 M-H+CF3COOH 488862 363.20321559999996 363.2022863471243 504.6437455470133 250.21762959999995 C10H13F3N2O2 1 862.56 6834 6660 M-H+CF3COOH 53523 448.340626 448.34177463103754 519.9141208494876 335.35504 C16H21N3O5 1 568.53 6835 4778 M-H+CF3COOH 425599 360.232206 360.2318159583655 842.5995551397803 247.24662000000004 C13H13NO4 1 789.9 6838 5053 M-H+CF3COOH 280303 373.272266 373.2738536681839 696.8929751432281 260.28668 C18H12O2 1 947.41 6839 3943 M-H+CF3COOH 34989 322.184226 322.18474744289335 612.3274334859132 209.19864000000004 C10H11NO4 1 785.4 6843 1702 M-H+CF3COOH 9060 223.096226 223.0965478067939 528.9519985651451 110.11063999999999 C6H6O2 1 661.47 6844 2948 M-H+CF3COOH 385619 281.175366 281.17489943310926 593.9019428678739 168.18978 C9H12O3 1 673.31 +6845 5119 M-H+CF3COOH 614276 377.06709600000005 377.06857618381923 938.928002777829 264.08151000000004 C7H6Cl2NaO3S+ 1 775.35 6846 5051 M-H+CF3COOH 635545 373.24109559999994 373.24092267244436 464.60379730475984 260.2555095999999 C12H15F3N2O 1 572.05 +6847 4499 M-H+CF3COOH 218736 347.20028599999995 347.19949481401204 393.7851947925467 234.21469999999997 C9H10N6O2 1 491.77 +6849 2585 M-H+CF3COOH 41295 265.179266 265.17981903401227 588.3639424604254 152.19368 C8H12N2O 1 543.25 +6851 5469 M-H+CF3COOH 505962 393.26366599999994 393.2634292960339 808.9454431349968 280.27807999999993 C16H12N2O3 1 936.51 6855 3097 M-H+CF3COOH 81566 287.14855559999995 287.14896583985995 456.709984404163 174.16296959999994 C9H9F3 1 953.7 6856 4181 M-H+CF3COOH 226794 332.22540599999996 332.22479583542946 707.560285393321 219.23981999999998 C11H13N3O2 1 684.41 6857 4498 M-H+CF3COOH 594725 347.19368599999996 347.19211394428754 285.99117500336706 234.20809999999997 C11H10N2O4 1 624.12 6859 2276 M-H+CF3COOH 553390 251.11292599999996 251.11399086819222 332.6213725398661 138.12733999999998 C5H6N4O 1 328.21 +6860 7136 M-H+CF3COOH 403579 473.21948599999996 473.2208514470778 519.6426116290171 360.23389999999995 C19H15Cl2NO2 1 1127.04 6861 6574 M-H+CF3COOH 287500 445.242106 445.2407270051862 760.3396612869162 332.25651999999997 C13H18BrNO2S 1 992.95 +6862 6575 M-H+CF3COOH 287500 445.242106 445.2432499177988 525.2572435742226 332.25651999999997 C13H18BrNO2S 1 992.95 +6863 8144 M+Cl+CF3COOH 548800 532.310664 532.311309806378 647.4407014406627 383.34839999999997 C14H25NO11 0 606.42 +6865 6001 M+Cl+CF3COOH 344442 418.30052399999994 418.3023951218051 868.1630691417115 269.33825999999993 C17H19NO2 1 775.15 +6866 6170 M+Cl+CF3COOH 133440 426.28276399999993 426.2834673567386 612.0777429166155 277.3204999999999 C17H15N3O 1 786.15 +6867 6171 M+Cl+CF3COOH 133440 426.28276399999993 426.28464396219107 584.2211896876233 277.3204999999999 C17H15N3O 1 786.15 6869 6658 M+Cl+CF3COOH 365853 448.306584 448.3061078680126 681.6533560229562 299.34432 C16H13NO3S 0 932.19 6870 6580 M+Cl+CF3COOH 353191 445.34570399999996 445.3453877436503 971.8873991275613 296.38343999999995 C18H16O2S 1 1200.14 +6871 2475 M+Cl+CF3COOH 393910 261.0871472 261.0870647799037 343.97624394677104 112.1248832 C6H7FN+ 1 431.58 +6872 3879 M+Cl+CF3COOH 320682 319.21098400000005 319.21156567993324 573.6620174549644 170.24872000000002 C10H18O2 1 706.02 6873 4358 M+Cl+CF3COOH 656133 340.256644 340.2561181426761 650.420749233692 191.29438 C7H17N3OS 1 494.58 +6874 5134 M+Cl+CF3COOH 654378 377.2901240000001 377.2899066557363 603.9843838273839 228.32786000000007 C13H24O3 1 855.74 6876 4419 M+Cl+CF3COOH 431245 343.18932400000006 343.1907521188192 761.593195269976 194.22706000000002 C11H14O3 1 847.6 6877 6001 M+Cl+CF3COOH 413427 418.302284 418.3023951218051 868.1630691417115 269.34002 C13H23N3O3 1 23.1 6879 12793 M+Cl+CF3COOH 849342 1085.9368640000007 1085.9330620376275 1137.3336701254811 936.9746000000007 C56H40O12S 1 1760.32 +6880 4619 M+Cl+CF3COOH 412758 353.213884 353.2141573277677 609.8496599919002 204.25161999999997 C9H8N4S 1 365.5 +6882 7913 M+Cl+CF3COOH 58923 517.2991039999998 517.2997525199593 633.4075320178653 368.3368399999998 C20H16O7 1 701.26 +6883 4433 M+Cl+CF3COOH 183447 344.160764 344.16027534384375 624.3732091165914 195.1985 C7H5N3O2S 1 581.12 6884 4901 M+Cl+CF3COOH 638414 366.22750399999995 366.22732386048733 579.4933560795315 217.26523999999992 C16H11N 1 931.23 6886 3713 M+Cl+CF3COOH 534807 312.18188399999997 312.1805315544134 418.9015820810083 163.21962 C9H13N3 1 174.57 6887 4176 M+Cl+CF3COOH 251276 332.168224 332.1682285530941 242.24082980300585 183.20596 C12H9NO 1 892.67 6888 2770 M+Cl+CF3COOH 372761 273.041085 273.0423327416025 314.78553098947503 124.07882099999999 C2H9N2O2P 1 399.38 +6890 5550 M+Cl+CF3COOH 367987 396.275084 396.27462577920915 707.6502123829671 247.31282000000002 C13H13NO2S 1 889 +6891 5076 M+Cl+CF3COOH 502796 374.2479639999999 374.2474134446069 869.0009913098183 225.28569999999993 C15H15NO 1 907.55 +6892 3099 M+Cl+CF3COOH 337396 287.169124 287.168148891961 479.48926430472085 138.20686 C9H14O 1 859.18 +6900 5904 M+Cl+CF3COOH 237263 414.26876400000003 414.2688969708181 534.5035464749453 265.3065 C17H15NO2 1 873.61 +6901 5905 M+Cl+CF3COOH 237263 414.26876400000003 414.26890097425536 954.6015024038592 265.3065 C17H15NO2 1 873.61 +6902 7541 M+Cl+CF3COOH 262804 495.2951239999998 495.29426593381004 700.7303610426317 346.3328599999998 C21H14O5 1 1195.14 +6905 4424 M+Cl+CF3COOH 218197 343.258824 343.25894077709927 633.1721138043118 194.29656 C10H14N2S 1 718.4 +6906 4327 M+Cl+CF3COOH 226645 339.15932399999997 339.1583072606561 537.688838931594 190.19706 C7H14N2O4 1 632.26 6907 3588 M+Cl+CF3COOH 69705 307.122304 307.1221917547819 255.5493490344312 158.16003999999998 C8H6N4 1 436.93 +6909 4712 M+Cl+CF3COOH 661921 357.176144 357.1764786237889 373.68192874339474 208.21388000000002 C10H12N2O3 1 342.95 +6910 5001 M+Cl+CF3COOH 184055 371.20426399999997 371.20600609496967 544.3662236919655 222.242 C14H10N2O 1 874.23 +6913 7984 M+Cl+CF3COOH 66102 521.2447439999999 521.2439662623431 226.99812830471805 372.28247999999985 C18H12O9 1 752.98 +6920 3217 M+Cl+CF3COOH 551407 292.15687289 292.1579002498065 444.69505799820394 143.19460888999998 C8H5D5O2 1 689.73 +6921 5416 M+Cl+CF3COOH 22682 391.233884 391.23271648784254 547.0539460836281 242.27161999999998 C11H18N2O4 1 669.32 +6924 4501 M+Cl+CF3COOH 397452 347.222624 347.2218918707379 589.4732431382661 198.26035999999996 C14H14O 1 915.6 +6927 4177 M+Cl+CF3COOH 54002 332.169984 332.1706064176947 374.152312671061 183.20772000000002 C8H13N3O2 1 571.51 +6928 3477 M+Cl+CF3COOH 493450 303.12546399999997 303.12630680367533 396.45820748544907 154.1632 C8H10O3 1 688.6 6929 5178 M+Cl+CF3COOH 569774 380.24339933399995 380.243090218165 619.5881859021617 231.28113533399997 C13H14D3NaO2 1 932.66 +6930 3901 M+Cl+CF3COOH 103966 320.199044 320.19996087901785 822.2355400979312 171.23678 C9H17NO2 1 708.79 6933 2964 M+Cl+CF3COOH 144105 282.132724 282.13342243162083 411.8749458651725 133.17046 C8H9N2+ 1 678.89 6934 8292 M+Cl+CF3COOH 297810 541.2491439999999 541.2475531577095 267.9673064185125 392.28687999999994 C19H22BrNO3 1 558.99 6935 4552 M+Cl+CF3COOH 328922 350.162044 350.162877684977 433.1667966242849 201.19977999999998 C7H7NO4S 0 509.45 +6937 5158 M+Cl+CF3COOH 328189 379.17682400000007 379.1786516784284 448.7570339468452 230.21456000000006 C10H14O6 0 715.61 +6940 7834 M+Cl+CF3COOH 851783 513.2658039999999 513.2674813944125 663.5512169817237 364.3035399999999 C17H16O9 0 655.96 6942 3486 M+Cl+CF3COOH 415103 303.214884 303.21636693446874 585.8365715949037 154.25261999999998 C9H18N2 1 48.53 +6943 9397 M+Cl+CF3COOH 211096 627.972604 627.9704753916478 374.2622869660051 479.01034000000004 C28H31ClN2O3 1 838.25 +6949 4269 M+Cl+CF3COOH 699051 336.19998400000003 336.20117148564316 568.2697709193312 187.23772000000002 C12H13NO 1 711.8 +6950 9075 M+Cl+CF3COOH 518021 600.2618540000001 600.2609824159654 202.57813425092235 451.29959 C23H18INO 1 1114.68 6951 6127 M+Cl+CF3COOH 180855 424.328244 424.3261460109253 739.4488740244813 275.36598 C15H17NO2S 1 1114.5 +6952 5443 M+Cl+CF3COOH 644699 392.21864400000004 392.2189969292384 602.4873367854597 243.25638 C11H17NO5 1 633.94 +6953 5444 M+Cl+CF3COOH 644699 392.21864400000004 392.2200461118481 609.9506048962082 243.25638 C11H17NO5 1 633.94 6954 6317 M+Cl+CF3COOH 563023 432.3104839999999 432.3096570258115 595.2405659483645 283.3482199999999 C15H13N3OS 1 866.71 +6955 6318 M+Cl+CF3COOH 563023 432.3104839999999 432.31086624501137 697.1573836455761 283.3482199999999 C15H13N3OS 1 866.71 6959 4268 M+Cl+CF3COOH 280384 336.19998400000003 336.19951825779464 304.77708065527247 187.23772000000002 C12H13NO 1 744.79 6960 4269 M+Cl+CF3COOH 280384 336.19998400000003 336.20117148564316 568.2697709193312 187.23772000000002 C12H13NO 1 744.79 6961 5231 M+Cl+CF3COOH 103131 383.2182639999999 383.21682289591456 270.5976950524328 234.25599999999991 C14H10N4 1 635.83 6962 2949 M+Cl+CF3COOH 475230 281.186144 281.185688701175 429.06325770329903 132.22387999999998 C6H12OS 1 658.46 +6963 4017 M+Cl+CF3COOH 408451 325.220404 325.22071034632705 561.4852900382107 176.25813999999997 C11H16N2 1 395.98 +6964 6491 M+Cl+CF3COOH 798109 441.25936399999995 441.2598496041179 618.707080821787 292.29709999999994 C10H10N7O2S+ 1 238.44 6965 6355 M+Cl+CF3COOH 67750 434.30476400000003 434.30311460482267 1004.0261635720167 285.34250000000003 C19H15N3 1 632.81 +6966 6356 M+Cl+CF3COOH 67750 434.30476400000003 434.30554192570287 1002.1216360845663 285.34250000000003 C19H15N3 1 632.81 +6971 4197 M+Cl+CF3COOH 95378 333.15474400000005 333.15512395671345 480.2581876844661 184.19248000000002 C8H12N2O3 1 633.74 6977 4464 M+Cl+CF3COOH 359808 345.248264 345.2466444144417 535.5003568059693 196.286 C12H20O2 1 888.55 +6978 5837 M+Cl+CF3COOH 123163 411.18376399999994 411.18374324946626 458.9073723218894 262.22149999999993 C11H10N4O4 1 559.28 +6979 5105 M+Cl+CF3COOH 218840 376.179484 376.1784977739029 509.7128139632212 227.21722000000003 C9H13N3O4 0 601.03 +6980 7420 M+Cl+CF3COOH 207499 489.2707871999999 489.26897374035474 618.9282239705326 340.3085231999999 C17H13FN4O3 0 789.28 +6982 3212 M+Cl+CF3COOH 407523 292.102824 292.10408563468593 231.96657423653846 143.14056 C6H9NO3 1 128.72 6984 3965 M+Cl+CF3COOH 666765 323.161464 323.1600945158549 375.7109980936974 174.1992 C10H10N2O 1 616.16 +6985 3966 M+Cl+CF3COOH 666765 323.161464 323.1616573759113 668.2899577695721 174.1992 C10H10N2O 1 616.16 6988 4544 M+Cl+CF3COOH 556395 349.240264 349.24098076100734 432.9293063225497 200.27800000000002 C10H20N2O2 1 644.75 6989 6224 M+Cl+CF3COOH 448841 428.338404 428.33635697989246 961.819141389563 279.37614 C19H21NO 1 918.91 6990 4880 M+Cl+CF3COOH 675727 365.193304 365.1925717484362 469.80352794866377 216.23104000000004 C10H16O5 1 655.68 +6991 2941 M+Cl+CF3COOH 8154 281.121484 281.1213009127294 647.0696763164632 132.15922 C9H8O 0 793.46 +6992 5869 M+Cl+CF3COOH 410826 413.123224 413.1239664600391 237.25223066612546 264.16096 C13H14BrN 1 945.01 +6995 6429 M+Cl+CF3COOH 246663 438.37628400000006 438.37839313454845 1271.5354092132006 289.41402000000005 C21H23N 1 1070.37 6997 4926 M+Cl+CF3COOH 687626 367.2968440000001 367.2952108430998 695.8885322237194 218.33458000000005 C15H22O 1 1104.71 7003 6438 M+Cl+CF3COOH 583161 439.2088071999999 439.208487272878 321.0619861008411 290.2465431999999 C14H11FN2O4 1 648.6 7006 3738 M+Cl+CF3COOH 61400 313.16334400000005 313.1644157200563 501.7234703146348 164.20108000000002 C10H12O2 1 740.75 +7007 5581 M+Cl+CF3COOH 641278 398.1999472 398.1997257951796 288.53699521235023 249.2376832 C13H12FNO3 1 1000.54 +7009 6767 M+Cl+CF3COOH 673726 454.18232399999994 454.1804107750727 334.5975015447575 305.22005999999993 C13H14Cl2O2S 0 1153.15 +7010 6768 M+Cl+CF3COOH 673726 454.18232399999994 454.18171399710343 363.8085494809092 305.22005999999993 C13H14Cl2O2S 0 1153.15 +7015 4788 M+Cl+CF3COOH 527963 361.00560399999995 361.00675453834515 1041.4433024131902 212.04333999999997 C8H6BrNO 1 704.6 +7016 5863 M+Cl+CF3COOH 672611 412.251344 412.25209082520036 410.14771543212316 263.28908 C14H17NO4 1 657.11 +7017 9507 M+Cl+CF3COOH 662246 635.2890240000002 635.2875754103301 251.3182579686432 486.32676000000015 C22H34Br2N2 0 1272.12 7018 2456 M+Cl+CF3COOH 674916 260.104024 260.1030418379502 294.730361972979 111.14175999999999 C6H9NO 0 765.23 +7019 3428 M+Cl+CF3COOH 449527 301.155944 301.15488667447806 558.2738117767935 152.19368 C8H12N2O 1 602.09 +7020 8631 M+Cl+CF3COOH 669000 565.1823240000001 565.184563574948 224.75878283915546 416.2200600000001 C19H39NOSn 1 596.9 +7021 6882 M+Cl+CF3COOH 172861 458.32462399999997 458.3259678112555 864.1057938519791 309.36235999999997 C18H19N3O2 1 841.43 7022 4176 M+Cl+CF3COOH 29662 332.168224 332.1682285530941 242.24082980300585 183.20595999999998 C12H9NO 1 743.2 +7028 7143 M+Cl+CF3COOH 549855 473.2929039999999 473.2913117932549 705.7515903739916 324.3306399999999 C18H16N2O4 1 823.85 7029 7709 M+Cl+CF3COOH 139519 505.35306399999996 505.35232416831445 597.8246042770809 356.39079999999996 C16H20O7S 1 923.44 +7030 4064 M+Cl+CF3COOH 354654 327.193224 327.19160828180213 503.6123896073177 178.23095999999998 C10H14N2O 1 260.19 +7031 5549 M+Cl+CF3COOH 359304 396.275084 396.2735718798645 662.0446062025096 247.31281999999996 C13H13NO2S 1 869.15 +7035 5408 M+Cl+CF3COOH 504959 391.189064 391.19014407066516 712.887441685744 242.22679999999997 C14H10O4 1 772.22 +7036 4268 M+Cl+CF3COOH 143189 336.199984 336.19951825779464 304.77708065527247 187.23772 C12H13NO 1 742.69 7037 4269 M+Cl+CF3COOH 143189 336.199984 336.20117148564316 568.2697709193312 187.23772 C12H13NO 1 742.69 7038 2849 M+Cl+CF3COOH 605692 276.189544 276.1889191389011 578.903999749037 127.22728 C8H17N 1 654.86 +7039 4493 M+Cl+CF3COOH 680755 347.15281139999996 347.1526151407542 483.3824419760387 198.19054739999996 C8H17F2OP 1 923.8 +7040 2038 M+Cl+CF3COOH 475630 240.071324 240.07242018963044 277.1001255041473 91.10906 C3H9NO2 1 206.36 +7041 3877 M+Cl+CF3COOH 247203 319.19436399999995 319.19435492803933 337.8401164271896 170.23209999999997 C7H10N2OS 1 732.98 +7042 6355 M+Cl+CF3COOH 341303 434.30168399999997 434.30311460482267 1004.0261635720167 285.33941999999996 C13H23N3O4 1 341.24 +7047 6374 M+Cl+CF3COOH 134740 435.24162399999994 435.2410328658862 639.9451099050995 286.27935999999994 C16H14O5 1 834.89 +7048 7053 M+Cl+CF3COOH 403086 468.29798399999993 468.2962907240817 834.8414123826731 319.3357199999999 C14H13N3O4S 0 666.8 +7049 7397 M+Cl+CF3COOH 593320 487.32961359999996 487.3301891135973 870.1321920489241 338.36734959999995 C18H21F3N2O 1 838.69 +7050 7398 M+Cl+CF3COOH 593320 487.32961359999996 487.3316311028812 851.0661619031285 338.36734959999995 C18H21F3N2O 1 838.69 +7053 5231 M+Cl+CF3COOH 729951 383.218264 383.21682289591456 270.5976950524328 234.25599999999994 C14H10N4 1 769.96 +7055 4268 M+Cl+CF3COOH 246584 336.198444 336.19951825779464 304.77708065527247 187.23618000000002 C9H17NO3 1 647.27 7056 5320 M+Cl+CF3COOH 337829 387.243424 387.2417133512606 406.84848265758717 238.28116 C16H14O2 1 938.69 7057 4249 M+Cl+CF3COOH 357668 335.17062400000003 335.1698313664491 556.8324351921118 186.20836000000003 C8H14N2O3 1 682.38 +7058 5130 M+Cl+CF3COOH 110789 377.23044400000003 377.2309434924752 698.2772244957799 228.26818 C9H12N2O3S 1 454.09 7059 3233 M+Cl+CF3COOH 202055 293.08101039999997 293.0799741874971 264.4976848041574 144.1187464 C7H6F2O 1 783.6 7060 3874 M+Cl+CF3COOH 280637 319.16946400000006 319.16832952483674 578.3153282015162 170.20720000000003 C12H10O 0 904.2 +7061 6625 M+Cl+CF3COOH 128227 447.25892399999987 447.25838042409725 649.810941127552 298.29665999999986 C15H14N4O3 1 736.96 +7062 8334 M+Cl+CF3COOH 494519 544.2569063999998 544.2560874912322 299.9468248885243 395.2946423999998 C16H8F7NOS 0 723.76 +7063 5850 M+Cl+CF3COOH 408600 412.12902399999996 412.1274432035418 497.0134614440254 263.16675999999995 C8H4Cl2N2S2 1 1000.6 +7064 5684 M+Cl+CF3COOH 357352 403.227964 403.22961350730145 248.36174785797198 254.26569999999998 C9H10N4O3S 1 615.29 +7067 4542 M+Cl+CF3COOH 244016 349.221884 349.22093949470127 550.1781868032319 200.25961999999998 C11H8N2S 1 769.78 +7068 6374 M+Cl+CF3COOH 106115 435.24162399999994 435.2410328658862 639.9451099050995 286.27935999999994 C16H14O5 1 808.86 +7069 5133 M+Cl+CF3COOH 352721 377.271744 377.2723786377847 497.29036056638284 228.30947999999998 C14H12OS 1 938.08 +7070 6265 M+Cl+CF3COOH 291606 430.27806400000003 430.2783986330212 582.8756434579029 281.3158 C14H15N7 1 584.34 +7071 6266 M+Cl+CF3COOH 291606 430.27806400000003 430.27959586992046 710.2976329508227 281.3158 C14H15N7 1 584.34 7072 5904 M+Cl+CF3COOH 113085 414.26722399999994 414.2688969708181 534.5035464749453 265.30495999999994 C14H19NO4 1 181.98 +7077 2917 M+Cl+CF3COOH 493273 280.136724 280.137118335819 416.9175900517168 131.17446 C9H9N 1 626 +7078 6901 M+Cl+CF3COOH 107033 459.35398399999997 459.35470896187906 811.830333031567 310.39171999999996 C22H18N2 1 752.66 +7079 5816 M+Cl+CF3COOH 374995 410.2370039999999 410.2377087339654 609.2250612078991 261.2747399999999 C17H11NO2 0 754.44 7081 6317 M+Cl+CF3COOH 228314 432.310484 432.3096570258115 595.2405659483645 283.34821999999997 C15H13N3OS 1 754.5 +7082 6318 M+Cl+CF3COOH 228314 432.310484 432.31086624501137 697.1573836455761 283.34821999999997 C15H13N3OS 1 754.5 7083 4808 M+Cl+CF3COOH 83741 361.29402400000004 361.29423438900244 658.022169395471 212.33176000000003 C12H24N2O 1 555.68 +7086 4446 M+Cl+CF3COOH 36371 345.082624 345.0810841779947 285.3366666227902 196.12036000000003 C6H4N4O4 0 580.55 +7087 5766 M+Cl+CF3COOH 525655 407.2497672 407.2514232307374 638.4425891856029 258.2875032 C16H15FO2 1 969.91 +7088 6270 M+Cl+CF3COOH 235758 430.314664 430.3155306475271 692.4440720228172 281.3524 C8H15N3O4S2 1 499.69 7089 4853 M+Cl+CF3COOH 377075 364.148385 364.1466459736679 178.49149708048026 215.18612100000001 C9H14NO3P 1 169.49 7090 10928 M+Cl+CF3COOH 735719 799.6660840000002 799.667648232025 1172.0594873026146 650.7038200000002 C27H38N8O9S 1 617.01 7091 5443 M+Cl+CF3COOH 505512 392.21864400000004 392.2189969292384 602.4873367854597 243.25638 C11H17NO5 1 634.05 7094 5688 M+Cl+CF3COOH 670274 403.239744 403.2415611372804 372.2846814385815 254.27748 C10H22O7 1 353.02 +7095 3398 M+Cl+CF3COOH 546369 300.171184 300.1709241332461 437.6814868374869 151.20891999999998 C8H13N3 1 113.1 +7096 4587 M+Cl+CF3COOH 395202 351.252844 351.25303944821786 671.7403982286698 202.29058 C11H22O3 1 1013.02 +7101 6270 M+Cl+CF3COOH 235761 430.3145239999999 430.3155306475271 692.4440720228172 281.3522599999999 C17H19N3O 1 726.73 +7102 6236 M+Cl+CF3COOH 719602 429.195744 429.1977269268335 264.530830318135 280.23348 C12H12N2O6 0 719.46 +7103 5600 M+Cl+CF3COOH 129533 399.25742399999996 399.2563755491866 504.9396907530301 250.29515999999995 C16H14N2O 1 685.74 +7104 5601 M+Cl+CF3COOH 129533 399.25742399999996 399.2574443994233 580.1331911341102 250.29515999999995 C16H14N2O 1 685.74 +7105 5190 M+Cl+CF3COOH 204859 381.194244 381.194409896793 475.7756006028367 232.23198000000002 C13H12O4 1 673.57 7106 7112 M+Cl+CF3COOH 587261 471.29196719999993 471.29146368420624 542.5750304525819 322.3297031999999 C20H15FO3 1 1069.43 +7109 4961 M+Cl+CF3COOH 734480 369.226604 369.2269880465791 598.0524052170836 220.26434 C13H16O3 0 769.89 7111 3786 M+Cl+CF3COOH 61947 315.1786336 315.1772969830603 203.95636163623425 166.21636959999998 C6H9F3Si 1 1010.62 +7112 3787 M+Cl+CF3COOH 61947 315.1786336 315.1801624239495 574.8292234725222 166.21636959999998 C6H9F3Si 1 1010.62 +7113 3285 M+Cl+CF3COOH 102037 295.151364 295.1514946762842 623.827274756936 146.1891 C9H10N2 1 660.9 +7114 2529 M+Cl+CF3COOH 17493 263.131104 263.1311706585003 405.8678781810156 114.16883999999999 C4H6N2S 1 306.45 +7115 8489 M+Cl+CF3COOH 110891 555.310624 555.3087419571298 724.1222466018081 406.34835999999996 C20H14N4O6 1 797.94 +7116 8490 M+Cl+CF3COOH 110891 555.310624 555.3104977016247 724.4574170318884 406.34835999999996 C20H14N4O6 0 797.94 +7117 5239 M+Cl+CF3COOH 424770 383.296244 383.2973714267148 854.0951422640709 234.33397999999997 C15H22O2 1 1131.59 7118 7182 M+Cl+CF3COOH 610530 475.30548399999986 475.3039334612601 664.7190193447285 326.34321999999986 C19H18O5 1 845.23 +7119 4135 M+Cl+CF3COOH 404304 330.173944 330.1730575990739 461.16781366691396 181.21168 C8H7NO2S 1 736.75 +7122 3243 M+Cl+CF3COOH 287384 293.160384 293.16089766153607 454.09825859849684 144.19812 C4H8N4S 1 577.5 +7123 4042 M+Cl+CF3COOH 536143 326.24822400000005 326.2475117593487 877.629207548216 177.28596000000002 C12H19N 1 634.68 +7133 3244 M+Cl+CF3COOH 5121 293.17370400000004 293.1745522085238 707.1330845926343 144.21144 C8H16O2 1 910.8 +7134 6002 M+Cl+CF3COOH 691006 418.323664 418.3219122457655 729.5326509529618 269.3614 C16H15NOS 1 790.91 +7139 4463 M+Cl+CF3COOH 662567 345.22834400000005 345.22742187255835 580.8301141465746 196.26608000000004 C10H12O2S 1 754.93 +7140 3564 M+Cl+CF3COOH 345192 306.172464 306.173410674102 553.6649450485318 157.21020000000001 C8H15NO2 1 393.05 +7141 5974 M+Cl+CF3COOH 331676 417.26940399999995 417.26764180396015 778.0343646129616 268.30713999999995 C17H16O3 1 978.77 +7142 5279 M+Cl+CF3COOH 673364 385.26906400000007 385.269579246161 642.7527008623072 236.30680000000004 C14H20O3 1 1187.1 7144 4315 M+Cl+CF3COOH 182330 338.215864 338.2171590596497 535.875834059985 189.2536 C12H15NO 1 770.54 7145 4354 M+Cl+CF3COOH 443595 340.211824 340.211315401487 568.3166369794908 191.24956 C10H9NOS 1 571.05 +7146 4943 M+Cl+CF3COOH 928 368.241844 368.2424149220167 590.27857191729 219.27957999999998 C13H17NO2 1 703.98 +7147 6221 M+Cl+CF3COOH 106089 428.30040399999996 428.29948231223256 624.2489031158622 279.33813999999995 C13H21N5O2 1 545.53 +7151 8837 M+Cl+CF3COOH 44701 578.7305439999999 578.7331782650274 224.7728867067147 429.7682799999999 C12H2Cl8 1 1249.46 7152 3244 M+Cl+CF3COOH 4971 293.173704 293.1745522085238 707.1330845926343 144.21143999999998 C8H16O2 1 815.11 +7154 4821 M+Cl+CF3COOH 672891 362.237264 362.23564335102583 601.4318539762032 213.27499999999998 C14H15NO 1 861.13 7156 4580 M+Cl+CF3COOH 342232 351.191325 351.19143033396443 559.2374944177507 202.22906099999997 C2H5K2O4P 1 272.62 7157 9513 M+Cl+CF3COOH 849582 635.4533439999998 635.4550818480554 864.9906752876266 486.4910799999997 C24H22O9S 1 1000.69 +7161 7043 M+Cl+CF3COOH 303934 468.1970935999999 468.19831499373396 248.2241678572684 319.2348295999999 C16H8F3NO3 0 918.19 7162 4675 M+Cl+CF3COOH 516912 355.24638400000003 355.2479395501388 637.0480634707636 206.28412 C12H18N2O 1 113.92 7163 8389 M+Cl+CF3COOH 321399 549.206693 549.2066737492365 273.1493382490038 400.24442899999997 C15H21IN2O3 1 651.78 7164 4461 M+Cl+CF3COOH 396508 345.205204 345.2061912385385 578.7111850864453 196.24294 C11H16O3 1 864.84 +7166 6699 M+Cl+CF3COOH 182415 450.28270399999997 450.2843866792849 741.3569266365298 301.32043999999996 C14H11N3O3S 0 805.5 +7167 3564 M+Cl+CF3COOH 697545 306.172464 306.173410674102 553.6649450485318 157.21020000000001 C8H15NO2 1 515.13 +7168 5209 M+Cl+CF3COOH 325109 382.228664 382.2301819305437 581.3315068371588 233.26639999999995 C12H15N3O2 1 487 7169 3391 M+Cl+CF3COOH 562621 300.12812399999996 300.1266821899818 426.1671881745299 151.16585999999998 C7H9N3O 1 165.09 +7170 5691 M+Cl+CF3COOH 22612 403.28764399999994 403.2871996739235 578.932473191725 254.32537999999994 C13H22N2O3 1 738.25 7171 5692 M+Cl+CF3COOH 22612 403.28764399999994 403.2882926238218 575.5277761955617 254.32537999999994 C13H22N2O3 1 738.25 +7172 7143 M+Cl+CF3COOH 855601 473.28960399999994 473.2913117932549 705.7515903739916 324.32733999999994 C19H16O5 1 764.12 +7174 6634 M+Cl+CF3COOH 126277 447.32182399999994 447.3205847616788 685.2242144540576 298.35955999999993 C16H14N2O2S 1 899.66 +7176 5757 M+Cl+CF3COOH 10767 407.193524 407.1918788348913 511.1228865652282 258.23126 C9H14N4O5 0 62.62 +7177 4598 M+Cl+CF3COOH 657533 352.177924 352.17910751185826 570.4258868726439 203.21566 C7H9NO4S 1 829.84 +7181 6784 M+Cl+CF3COOH 561805 454.786364 454.7849783606657 641.12658678897 305.8241 C12H20ClN3O2S 1 136.16 7184 3099 M+Cl+CF3COOH 13515 287.169124 287.168148891961 479.48926430472085 138.20686000000003 C9H14O 1 852.3 +7185 7598 M+Cl+CF3COOH 143900 498.28702499999997 498.2882782223052 643.8722981165681 349.32476099999997 C15H20N5O3P 1 862.01 7186 4835 M+Cl+CF3COOH 727054 363.1460336 363.14750854968884 454.43299386381955 214.18376959999998 C11H9F3O 1 1058.91 +7188 4710 M+Cl+CF3COOH 560415 357.1713040000001 357.16986556998904 739.5796443162005 208.20904000000004 C8H16O6 1 605.08 +7189 4711 M+Cl+CF3COOH 560415 357.1713040000001 357.17285466279657 218.5591098357388 208.20904000000004 C8H16O6 1 605.08 +7192 10086 M+Cl+CF3COOH 294352 701.6291240000002 701.6291318716876 1237.0327207198309 552.6668600000002 C25H44N8O6 1 604.72 7198 6190 M+Cl+CF3COOH 431859 427.26598399999995 427.2653556448603 658.1158196858996 278.30371999999994 C14H18N2O4 1 442.18 7200 5044 M+Cl+CF3COOH 281946 373.19048719999995 373.18925097322455 330.206191913485 224.22822319999995 C12H13FO3 1 659.24 +7201 6060 M+Cl+CF3COOH 30657 421.241484 421.2418501103341 576.7890668746279 272.27922 C13H8N2O3S 0 867.49 +7203 3744 M+Cl+CF3COOH 234958 313.249464 313.2484225718405 484.2393130015984 164.28719999999998 C12H20 1 1136.44 +7205 6623 M+Cl+CF3COOH 661174 447.2523239999999 447.25076484484725 934.6063685486315 298.29005999999987 C17H14O5 1 698.49 +7206 6624 M+Cl+CF3COOH 661174 447.2523239999999 447.25203333781326 831.0646491938321 298.29005999999987 C17H14O5 1 698.49 7207 7309 M+Cl+CF3COOH 547133 482.34448399999997 482.3435170166841 948.6832915127588 333.38221999999996 C17H23N3O4 0 431.16 +7209 7615 M+Cl+CF3COOH 532842 499.3319439999999 499.3302487706175 867.3878714769908 350.3696799999999 C16H22N4O5 1 599.88 +7210 4257 M+Cl+CF3COOH 569191 335.2319272 335.23294308372283 560.1486931351767 186.26966319999994 C10H19FN2 1 60.01 +7211 4642 M+Cl+CF3COOH 175862 354.198644 354.1992072178333 633.3893158212138 205.23638 C9H7N3OS 1 574.8 +7212 3538 M+Cl+CF3COOH 705075 305.18440400000003 305.18592852262486 501.970257792041 156.22214000000002 C9H16O2 1 703.7 +7213 3729 M+Cl+CF3COOH 89678 313.118744 313.11820832313015 456.94939879722375 164.15648000000002 C6H12O5 1 397.82 +7214 5146 M+Cl+CF3COOH 168405 378.236664 378.23608289464454 598.0423952459008 229.27439999999999 C14H15NO2 1 822.11 7215 7738 M+Cl+CF3COOH 183037 507.2977935999999 507.29846548719445 668.3434478118494 358.3355295999999 C15H13F3N2O3S 1 927.92 7222 4688 M+Cl+CF3COOH 67901 356.191384 356.19192461705575 329.629381050941 207.22912000000002 C10H13N3O2 1 676.68 7225 4037 M+Cl+CF3COOH 38994 326.20516399999997 326.20455538962 629.3514277857354 177.2429 C11H15NO 1 691.97 @@ -1338,13 +3761,25 @@ 7236 3880 M+Cl+CF3COOH 557403 319.214284 319.2132251514568 639.2186555884477 170.25202 C9H18N2O 1 165.66 7237 7768 M+Cl+CF3COOH 497634 509.2368640000001 509.2374484835343 616.262048808185 360.2746000000001 C22H20N2Ti-- 1 941.55 7239 8410 M+Cl+CF3COOH 271115 550.8503639999999 550.8493921644254 471.84580434392944 401.88809999999995 C24H20ClN3O 1 712.19 +7240 4856 M+Cl+CF3COOH 513018 364.167024 364.1680903432648 461.34722501989665 215.20476000000002 C12H9NO3 0 503.93 +7241 3988 M+Cl+CF3COOH 139371 324.146224 324.1448404278668 313.4835871349477 175.18396 C10H9NO2 1 623.19 +7242 4955 M+Cl+CF3COOH 316375 369.17483999999996 369.17357002354134 499.8203118111594 220.21257599999996 C6H9F5OSi 1 1074.8 +7244 7363 M+Cl+CF3COOH 122870 485.34996400000006 485.34837920444727 714.9358199259347 336.38770000000005 C19H20N4O2 1 613.7 +7250 6574 M+Cl+CF3COOH 423989 445.2397439999999 445.2407270051862 760.3396612869162 296.2774799999999 C16H12N2O4 1 816.94 7251 5094 M+Cl+CF3COOH 371848 375.235685 375.2375242783733 616.7590789466151 226.27342099999998 C8H19O3PS 1 742.9 +7252 4474 M+Cl+CF3COOH 56287 346.15020400000003 346.1494782119347 425.01449100132686 197.18794 C9H11NO4 1 519.44 7253 3538 M+Cl+CF3COOH 370334 305.184404 305.18592852262486 501.970257792041 156.22214 C9H16O2 1 888.82 7254 6680 M+Cl+CF3COOH 496013 449.3591640000001 449.3600769295344 1008.7106579215189 300.3969000000001 C21H20N2 1 1019.77 7255 5321 M+Cl+CF3COOH 84155 387.246724 387.24580264155725 419.5054640731213 238.28445999999997 C15H14N2O 1 669.48 +7256 6960 M+Cl+CF3COOH 270997 463.25172399999985 463.252870990529 612.0573102628279 314.28945999999985 C17H14O6 0 836.14 +7257 1871 M+Cl+CF3COOH 26131 231.062804 231.0626605506311 1083.4418935096228 82.10054 C5H6O 0 596.71 +7258 4029 M+Cl+CF3COOH 46834 326.122344 326.1235328706995 468.83669600018857 177.16008 C8H7N3O2 1 466.94 7259 4637 M+Cl+CF3COOH 245012 354.135744 354.1348068567637 609.0075974981726 205.17347999999998 C8H7N5O2 1 555.39 7260 4638 M+Cl+CF3COOH 245012 354.135744 354.13749106853686 501.45178422116163 205.17347999999998 C8H7N5O2 1 555.39 7261 4652 M+Cl+CF3COOH 531583 354.27992400000005 354.2788282254696 645.2531974191747 205.31766000000002 C9H19NO2S 1 585.24 +7262 6355 M+Cl+CF3COOH 644206 434.30146399999995 434.30311460482267 1004.0261635720167 285.33919999999995 C20H15NO 1 1050.46 +7271 6981 M+Cl+CF3COOH 230113 464.3340440000001 464.3357952495418 475.7206496044043 315.3717800000001 C19H17N5 1 898.73 +7272 4327 M+Cl+CF3COOH 244553 339.157564 339.1583072606561 537.688838931594 190.1953 C11H10O3 1 783.2 7277 5321 M+Cl+CF3COOH 706707 387.245184 387.24580264155725 419.5054640731213 238.28292 C12H18N2O3 1 168.5 7278 4013 M+Cl+CF3COOH 96889 325.174044 325.1755688911833 435.46419255160487 176.21178 C11H12O2 1 844.16 7279 5187 M+Cl+CF3COOH 265761 381.157784 381.1584606755882 397.1560739075934 232.19551999999996 C10H8N4O3 0 588.52 @@ -1352,86 +3787,254 @@ 7281 7162 M+Cl+CF3COOH 174631 474.32556400000004 474.3265142843744 517.7502431498053 325.36330000000004 C21H15N3O 1 815.15 7282 5094 M+Cl+CF3COOH 430338 375.23602400000004 375.2375242783733 616.7590789466151 226.27376 C14H14N2O 1 642.5 7283 3237 M+Cl+CF3COOH 356250 293.114024 293.11318213218664 270.75796579201705 144.15176 C4H4N2O2S 1 165.01 +7284 9047 M+Cl+CF3COOH 853652 597.3391639999999 597.3370212054782 646.8007884718552 448.37689999999986 C21H20O11 1 706.38 +7285 9048 M+Cl+CF3COOH 853652 597.3391639999999 597.3409393601785 646.9827245338454 448.37689999999986 C21H20O11 1 706.38 +7289 4360 M+Cl+CF3COOH 667603 340.319544 340.32064140874127 928.8414512332312 191.35728 C8H17NS2 1 867.07 +7290 7507 M+Cl+CF3COOH 653839 493.44076400000006 493.44312365571 1123.9587803378085 344.47850000000005 C22H20O2Si 1 1231.08 +7291 4282 M+Cl+CF3COOH 241495 337.0905104 337.08887390079644 403.07552233943693 188.12824640000002 C8H6F2O3 1 724.02 +7292 4283 M+Cl+CF3COOH 241495 337.0905104 337.09095035122994 407.45866789240335 188.12824640000002 C8H6F2O3 1 724.02 +7294 4831 M+Cl+CF3COOH 339761 363.117265 363.11829246048507 448.05623925976863 214.155001 C9H11O4P 1 740.58 +7296 5344 M+Cl+CF3COOH 324332 388.296144 388.2960883489077 709.9792235998427 239.33388 C12H17NO2S 1 864.88 +7297 3960 M+Cl+CF3COOH 389173 323.113564 323.1125462935209 505.48916456325145 174.15130000000002 C7H10O5 1 652.7 +7298 3676 M+Cl+CF3COOH 205891 311.0558972 311.05538395934855 469.3939674088956 162.09363319999997 C7H4FNaO2 1 656.43 +7299 10034 M+Cl+CF3COOH 59742 694.633104 694.6340586655929 1062.4923198221259 545.67084 C26H31N3O6S2 0 712.85 +7301 5550 M+Cl+CF3COOH 592827 396.275084 396.27462577920915 707.6502123829671 247.31282000000002 C13H13NO2S 1 673.89 +7302 6290 M+Cl+CF3COOH 407040 431.277824 431.27661064765994 771.9652446096835 282.31556 C12H14N2O4S 1 691.82 +7303 6451 M+Cl+CF3COOH 739189 439.7070639999999 439.7066845519196 269.58115376754915 290.7447999999999 C15H15ClN2O2 0 1016.59 7304 4563 M+Cl+CF3COOH 522334 350.271384 350.27312516899235 220.47133920161895 201.30912 C10H23N3O 1 162.36 +7305 4598 M+Cl+CF3COOH 299714 352.17792399999996 352.17910751185826 570.4258868726439 203.21565999999999 C7H9NO4S 1 65.14 +7306 7528 M+Cl+CF3COOH 106828 495.1695839999999 495.17151936400836 902.9584306602444 346.20731999999987 C18H13Cl2NO2 0 1174.27 +7308 7955 M+Cl+CF3COOH 118815 519.4044039999999 519.4044147332556 936.4986983908734 370.4421399999999 C21H26N2O4 1 763.11 +7309 5697 M+Cl+CF3COOH 537351 404.11646399999995 404.1177078450333 302.6365448548058 255.15419999999997 C11H15BrN2 0 811.63 +7310 2668 M+Cl+CF3COOH 106412 269.0877272 269.08754845929354 234.3990177017409 120.1254632 C4H9FN2O 0 456.94 +7311 4501 M+Cl+CF3COOH 351334 347.22270719999995 347.2218918707379 589.4732431382661 198.26044319999997 C9H11FN2S 1 704.52 +7312 3988 M+Cl+CF3COOH 323429 324.14622399999996 324.1448404278668 313.4835871349477 175.18395999999998 C10H9NO2 1 672.89 7315 3428 M+Cl+CF3COOH 41295 301.155944 301.15488667447806 558.2738117767935 152.19368 C8H12N2O 1 543.25 7317 5691 M+Cl+CF3COOH 702136 403.287424 403.2871996739235 578.932473191725 254.32515999999998 C20H14 1 1139.79 7318 5692 M+Cl+CF3COOH 702136 403.287424 403.2882926238218 575.5277761955617 254.32515999999998 C20H14 1 1139.79 +7319 5226 M+Cl+CF3COOH 594725 383.17036399999995 383.16951453318455 382.21065527807264 234.20809999999997 C11H10N2O4 1 624.12 +7320 6901 M+Cl+CF3COOH 228476 459.35412399999996 459.35470896187906 811.830333031567 310.39185999999995 C13H14N2O3S2 1 728.25 +7321 5590 M+Cl+CF3COOH 190104 398.27266399999996 398.2743723545682 711.9421356907391 249.31039999999996 C16H15N3 1 792.37 7322 5946 M+Cl+CF3COOH 221693 416.2846439999999 416.2845885476811 465.36251410970874 267.3223799999999 C17H17NO2 0 938.85 +7326 4221 M+Cl+CF3COOH 491653 334.147644 334.14890878430015 436.50624595085526 185.18537999999998 C9H7N5 1 768.58 +7333 1867 M+H-2H2O 550851 230.24922399999997 230.24814511146292 1250.6889125983623 265.26189999999997 C13H15NO5 1 636.99 +7339 1949 M+H-2H2O 336577 234.20653359999994 234.2062108447137 1194.5601204518919 269.21920959999994 C13H10F3NO2 1 924.7 7344 2799 M+H-2H2O 137924 274.17448399999995 274.1732805510308 571.8690484223741 309.18715999999995 C16H14Cl2O2 1 1093.05 +7345 3370 M+H-2H2O 363019 299.120874 299.1202591209818 239.0204468754059 334.13355 C9H7IN2O2S 1 860.23 7347 1735 M+H-2H2O 94717 225.06080400000002 225.060874995152 488.77995643244344 260.07348 C10H7Cl2NO3 1 788.81 7348 2016 M+H-2H2O 89055 238.163685 238.16470589163038 456.9378754998903 273.176361 C10H14NNa2O3P 1 640.45 +7349 2717 M+H-2H2O 673726 270.20738399999993 270.20629910091134 685.1849887433715 305.22005999999993 C13H14Cl2O2S 1 1153.15 +7350 55 M+H-2H2O 46744 118.122704 118.12268207816828 714.1722906696413 153.13538 C7H7NO3 1 597.97 +7351 1941 M+H-2H2O 381968 234.12174399999998 234.1206488681691 514.9418741896865 269.13442 C12H13BrO2 0 878.54 7352 40 M+H-2H2O 412295 116.10682399999999 116.10697227978224 1219.781793241068 151.1195 C7H5NO3 0 433.7 7353 41 M+H-2H2O 412295 116.10682399999999 116.10725983548971 250.47541929942807 151.1195 C7H5NO3 0 433.7 +7354 3477 M+H-2H2O 709795 303.127734 303.12630680367533 396.45820748544907 338.14041 C14H11IO2 1 1268.39 7356 8286 M+H-2H2O 247082 540.3925040000001 540.3918834161944 1101.6737250859842 575.4051800000001 C26H27BrN2O8 0 716.73 +7357 3260 M+H-2H2O 128096 294.13548399999996 294.1365113720499 419.6628355437963 329.14815999999996 C15H9BrN2O2 1 809.41 +7363 2125 M+H-2H2O 506223 244.11656399999998 244.1161165591842 404.4676610290725 279.12924 C13H11BrO2 1 935.02 +7364 9192 M+H-2H2O 303627 610.777284 610.7796979918538 286.93080686270184 645.7899600000001 C30H39N5O7S2 1 706.95 +7365 2208 M+H-2H2O 46338 248.137204 248.1362883492254 523.5209033119269 283.14988 C14H12Cl2O2 1 901.39 +7367 3811 M+H-2H2O 191329 316.2222839999999 316.22275042575365 301.8150300601131 351.2349599999999 C17H19BrO3 1 1084.79 +7368 5901 M+H-2H2O 233503 414.23004399999996 414.2304328824974 657.3159141180836 449.24271999999996 C16H18Cl2N4O7 1 660.21 7369 8206 M+H-2H2O 596579 535.8333440000001 535.8357549410835 769.6610423854112 570.8460200000002 C35H58N2O4 1 903.08 7370 3353 M+H-2H2O 678019 298.2374039999999 298.2372758892782 760.4617142954044 333.2500799999999 C16H22Cl2O3 1 1335.49 7371 2641 M+H-2H2O 291339 267.2296239999999 267.2288887475244 1034.1540745164805 302.2422999999999 C13H10N4O5 1 731.72 +7376 4884 M+H-2H2O 321399 365.23175299999997 365.2319076716121 569.3200354129733 400.24442899999997 C15H21IN2O3 1 651.78 +7377 3337 M+H-2H2O 260243 297.29052399999995 297.2896313655258 857.4741367125126 332.30319999999995 C14H20O9 1 824.12 +7378 950 M+H-2H2O 566806 180.15915359999997 180.1592529040696 1161.2168851934427 215.17182959999997 C10H8F3NO 1 777.04 +7379 1683 M+H-2H2O 579476 222.0751072 222.07605071754537 723.4445920827443 257.0877832 C12H7Cl2FO 1 973.33 +7380 1684 M+H-2H2O 579476 222.0751072 222.07606156404378 343.28439990369253 257.0877832 C12H7Cl2FO 1 973.33 +7382 2303 M+H-2H2O 534271 252.231564 252.2322390411483 751.383912471611 287.24424 C15H11O6- 1 701.16 +7383 2931 M+H-2H2O 201607 280.2648439999999 280.26356879223783 827.1804395354551 315.2775199999999 C16H13NO6 0 766.24 +7387 1285 M+H-2H2O 617403 200.05464400000002 200.05544613131 219.97797892747752 235.06732000000002 C8H8Cl2N2O2 1 734.17 +7390 1827 M+H-2H2O 864457 229.05095400000005 229.04996223125318 482.95480251657557 264.06363000000005 C7H9IN2O 1 470.42 +7392 837 M+H-2H2O 630662 174.18596400000004 174.1855551912053 1145.1723233262946 209.19864000000004 C10H11NO4 1 640.75 7396 1418 M+H-2H2O 610152 207.04398400000002 207.04339414300324 151.72712122896343 242.05666000000002 C7H9Cl2NO4 0 845.42 +7403 622 M+H-2H2O 553686 162.0992736 162.09960628834008 532.290663676047 197.1119496 C6H6F3NO3 0 580.09 +7404 2010 M+H-2H2O 510084 238.11924319999991 238.1185968141193 331.34052863396704 273.1319191999999 C9H5F6NO2 1 862.32 7411 2101 M+H-2H2O 302608 243.03117399999996 243.03034933970557 298.08680282026694 278.04384999999996 C8H7IO3 1 729.15 7417 4017 M+H-2H2O 403579 325.22122399999995 325.22071034632705 561.4852900382107 360.23389999999995 C19H15Cl2NO2 1 1127.04 +7418 1970 M+H-H2O 134506 236.07660000000004 236.07752705681827 244.73942722329306 253.07930000000005 C9H10Cl2O4 1 820.99 +7419 2611 M+H-H2O 418708 266.15829999999994 266.1586361803925 496.98850394370527 283.16099999999994 C13H15BrO2 0 1235.38 +7420 8716 M+H-H2O 509369 570.36626 570.3636991525126 748.3222280791255 587.36896 C30H44O4Sn 0 659.44 7422 1822 M+H-H2O 522937 228.20322319999997 228.2040105390728 843.9622344240522 245.20592319999997 C13H8FNO3 1 780.35 7427 1323 M+H-H2O 556749 202.04822319999997 202.0476419123859 1036.3351734706914 219.05092319999997 C8H8BrFO 0 949.24 7428 1324 M+H-H2O 556749 202.04822319999997 202.0477041787517 312.0475160809241 219.05092319999997 C8H8BrFO 0 949.24 +7429 2099 M+H-H2O 555479 242.2480463999999 242.24775946504238 877.463464150815 259.2507463999999 C15H11F2NO 1 993.06 +7431 4380 M+H-H2O 370426 341.23193919999983 341.23216335817716 607.2675474729152 358.23463919999983 C17H8F6O2 1 913.72 +7436 714 M+H-H2O 95378 167.18978 167.18922710427205 214.96252972019033 184.19248000000002 C8H12N2O3 1 633.74 +7438 1889 M+H-H2O 569582 231.1791296 231.17858031182416 612.5612321095379 248.18182960000001 C8H3F3N2O2S 1 770.03 +7441 1502 M+H-H2O 275454 212.07115999999996 212.07083268897088 521.6058749347922 229.07385999999997 C8H9BrN2O 0 630.42 +7442 2735 M+H-H2O 196682 271.1405591999999 271.1398736497032 206.0393941523185 288.14325919999993 C10H6F6O3 1 844.76 +7444 2379 M+H-H2O 89055 256.173661 256.1728154804565 793.2060054760631 273.176361 C10H14NNa2O3P 1 640.45 +7447 6365 M+H-H2O 98026 435.13713999999993 435.1387361066028 356.9493924080159 452.13983999999994 C18H16Br2N2O2 1 888 +7449 2294 M+H-H2O 381968 252.13171999999997 252.131100784728 617.8247283702088 269.13442 C12H13BrO2 1 878.54 7450 1733 M+H-H2O 561088 225.04180319999998 225.04281989113773 713.6385960648915 242.04450319999998 C9H5BrFNO 1 762.12 7452 3916 M+H-H2O 709795 321.13770999999997 321.13687186054034 315.93693334525926 338.14041 C14H11IO2 1 1268.39 +7453 3838 M+H-H2O 8855 317.216461 317.2149908985539 396.162341516285 334.219161 C11H15N2O8P 1 211.11 7454 537 M+H-H2O 45751 156.11040000000003 156.11022927900606 420.14835123085555 173.11310000000003 C4H10Cl2OSi 1 909.09 +7455 9807 M+H-H2O 258794 668.4154496000001 668.4183348829922 529.066997164216 685.4181496000001 C31H16BrF3O8S 1 1287.39 +7457 1489 M+H-H2O 560955 211.07198000000002 211.0717332217904 872.734813242392 228.07468000000003 C10H7Cl2NO 1 888.77 +7459 2365 M+H-H2O 584960 255.25007999999997 255.25088841005314 868.1497468778131 272.25278 C15H12O5 1 757.32 7462 5372 M+H-H2O 110891 389.34565999999995 389.34549246898507 890.1198273967087 406.34835999999996 C20H14N4O6 1 797.94 +7463 6309 M+H-H2O 233503 432.24001999999996 432.23850484220327 734.652321984025 449.24271999999996 C16H18Cl2N4O7 1 660.21 +7466 3814 M+H-H2O 678019 316.2473799999999 316.2484075258055 632.4985992734071 333.2500799999999 C16H22Cl2O3 1 1335.49 +7467 344 M+H-H2O 514410 143.08123099999997 143.08161703657595 1030.2144930201284 160.08393099999998 C4H10NaO3P 1 469.14 +7468 345 M+H-H2O 514410 143.08123099999997 143.08179842857578 167.1800486217444 160.08393099999998 C4H10NaO3P 1 469.14 +7472 1647 M+H-H2O 580566 219.21140639999996 219.21060077221856 789.3038842108524 236.21410639999996 C13H10F2O2 1 858.76 +7474 9701 M+H-H2O 848657 655.6057800000003 655.6054465023225 1132.417946588881 672.6084800000003 C28H32O17S 1 711.36 +7475 3464 M+H-H2O 303934 302.2321295999999 302.2325138512875 568.5326749662064 319.2348295999999 C16H8F3NO3 1 918.19 +7476 1742 M+H-H2O 735418 225.10967999999997 225.1097282762496 798.7039292062805 242.11237999999997 C10H12BrNO 1 687.1 7477 1743 M+H-H2O 735418 225.10967999999997 225.11041010397622 417.2876793827997 242.11237999999997 C10H12BrNO 1 687.1 7479 5234 M+H-H2O 321399 383.24172899999996 383.2432500598592 546.813417925803 400.24442899999997 C15H21IN2O3 1 651.78 +7480 2296 M+H-H2O 396563 252.1422 252.14315115863923 373.46804195411625 269.1449 C9H10Cl2O3S 1 988.6 +7481 2721 M+H-H2O 534271 270.24154 270.24288393635123 751.3335704081153 287.24424 C15H11O6- 1 701.16 7487 1866 M+H-H2O 25060 230.24721999999997 230.24767505105888 723.2788377561537 247.24991999999997 C12H13N3O3 1 636.23 7489 2643 M+H-H2O 230948 267.26913999999994 267.26781190343775 913.2065748681886 284.27183999999994 C10H16N6O4-- 1 683.23 7495 1214 M+H-H2O 365964 196.06846 196.06854577707884 383.1623481511197 213.07116 C9H9BrO 1 905.99 +7496 1083 M+H-H2O 203918 187.14318959999997 187.14399205628072 231.7559448169156 204.14588959999998 C9H7F3O2 1 761.98 +7509 3792 M+H-H2O 287500 315.25381999999996 315.252701877968 776.2333477778259 332.25651999999997 C13H18BrNO2S 1 992.95 +7512 4751 2M+H 736190 359.18103599999995 359.18146937650243 228.36018443726635 179.08687999999998 C8H12Cl2 1 1026.63 +7513 4752 2M+H 736190 359.18103599999995 359.18268833468613 693.6714902726329 179.08687999999998 C8H12Cl2 1 1026.63 7514 4529 2M+H 734126 348.287236 348.28721177603285 840.3594672613303 173.63998 C8H12ClNO 1 665.62 7515 9744 2M+H 310078 661.803516 661.8008658082942 265.48414800132906 330.39811999999995 C18H18O4S 1 912.97 7516 10267 2M+H 169178 723.4967980000001 723.4978109244962 710.8852289512879 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +7517 10350 2M+H 719160 732.070436 732.0681585196444 937.7751664298036 365.53157999999996 C23H27NOS 1 848.78 +7523 9433 2M+H 480827 630.1527160000006 630.1533051409622 302.7376010392993 314.5727200000003 C18H38N2S 1 467.46 +7525 9392 2M+H 380707 627.3909160000002 627.3922728748397 729.5338494978171 313.19182000000006 C16H13BrN2 1 1165.4 7527 6711 2M+H 536995 451.17759599999994 451.1781147935026 518.5833184337762 225.08515999999997 C9H9BrN2 1 620.84 +7529 10707 2M+H 684145 774.1390360000001 774.1354604971165 885.5754468409853 386.56588000000005 C22H42O5 1 1323.48 7533 6833 2M+H 307506 457.156636 457.1563527171446 557.9717381606777 228.07468 C10H7Cl2NO 1 714.07 7534 8558 2M+H 448841 559.7595560000001 559.75864986144245 301.53672744767675 279.37614 C19H21NO 0 918.91 7535 6243 2M+H 677125 429.2856152 429.2836453864164 733.9100681564096 214.1391696 C7H9F3O4 1 747.94 +7536 7370 2M+H 11024 486.2324887999998 486.2319986454976 479.7826209204672 242.61260639999992 C9H5ClF2N4 1 817.62 7537 7371 2M+H 11024 486.2324887999998 486.23343972543876 579.2390974535571 242.61260639999992 C9H5ClF2N4 1 817.62 +7546 6781 2M+H 130995 454.37263599999994 454.3727022705857 847.231766953787 226.68267999999998 C9H7ClN2OS 1 762.64 +7549 3549 2M+H 361759 305.301916 305.3030241053062 748.3902861388195 152.14732 C8H8O3 1 671.77 +7550 6833 2M+H 560955 457.15663600000005 457.1563527171446 557.9717381606777 228.07468000000003 C10H7Cl2NO 1 888.77 7552 6259 2M+H 215975 430.225436 430.2245082170595 569.9170811370083 214.60908 C7H7ClN4O2 1 648.57 7553 6260 2M+H 215975 430.225436 430.22570382534366 588.964424074636 214.60908 C7H7ClN4O2 1 648.57 +7554 8583 2M+H 719602 561.474236 561.4721860573061 1106.5096275339718 280.23348 C12H12N2O6 1 719.46 +7556 10953 2M+H 737260 803.5547159999999 803.5568184072182 981.5536019763158 401.2737199999999 C19H13BrO3S 1 1064.94 +7558 4507 2M+H 513488 347.31371599999994 347.31498552297774 917.4865609397782 173.15321999999998 C3H3N5O2S 1 601.37 7559 10091 2M+H 700926 702.2103160000001 702.2130731016368 946.2169863846997 350.60152000000005 C22H38OS 0 1161.03 7560 10625 2M+H 618957 764.1921160000004 764.1913191812353 1012.833343326485 381.5924200000002 C23H43NO3 1 913.37 7561 5823 2M+H 88652 410.31531599999994 410.3168830252441 650.3947444775803 204.65401999999997 C8H13ClN2O2 1 124.55 7562 4776 2M+H 327335 360.21335600000003 360.21254885063195 472.63528700461643 179.60304000000002 C9H6ClNO 0 819.77 +7565 4967 2M+H 702326 369.2799352 369.2794549480352 685.2353791289593 184.1363296 C5H3F3O2S 1 833.91 +7566 6748 2M+H 42856 453.207748 453.2078199687093 540.4200215587929 226.100236 C8H3F5O2 1 958.44 +7567 6749 2M+H 42856 453.207748 453.2091210598501 535.5959553817719 226.100236 C8H3F5O2 1 958.44 +7568 9729 2M+H 22232 659.8039960000002 659.8040795910317 303.629438050725 329.3983600000001 C20H19N5 1 371.23 +7569 6507 2M+H 563586 442.2082487999999 442.2066833872106 534.7499438836818 220.60048639999997 C9H7ClF2O2 1 972.46 +7571 11197 2M+H 261193 834.7134359999998 834.7170124680712 346.54134211785083 416.85307999999986 C25H17ClO4 0 1220.38 +7573 10172 2M+H 395142 713.8480760000003 713.8495675961602 366.20106710833636 356.42040000000014 C22H20N4O 1 913.07 +7576 7706 2M+H 552590 505.3157143999999 505.3157430405342 637.5476876877298 252.15421919999994 C8H10F6O2 1 858.04 7578 10022 2M+H 59529 693.230576 693.2284938766747 266.32116334595196 346.11165 C4H5AuO4S 0 574.39 7579 5095 2M+H 345342 375.25121519999993 375.2504568520891 772.2584053162834 187.12196959999997 C7H4F3N3 1 736.81 7580 5275 2M+H 395178 385.1851016 385.18555299528407 467.4715218926112 192.0889128 C3F4O3S 1 761.21 +7581 8534 2M+H 168562 557.435876 557.4378416191473 884.0729920755666 278.2143 C13H10O7 1 693.04 +7586 7547 2M+H 578120 495.45088239999995 495.44961342399534 1072.1283745699225 247.22180319999998 C13H10FNO3 1 708.11 +7587 10250 2M+H 497634 721.5564760000002 721.5562149629606 1191.4368596280815 360.2746000000001 C22H20N2Ti-- 0 941.55 +7589 7321 2M+H 421819 483.278758 483.277391735215 637.5313430884662 241.135741 C6H12NO7P 0 107.38 +7595 6292 2M+H 428165 431.3144488 431.31507067911616 756.1638931025793 215.1535864 C9H7F2NO3 1 703.58 7596 1739 2M+H 248747 225.08807599999994 225.08697989181562 251.0934649539957 112.04039999999998 C4O4-- 1 528.66 +7597 8367 2M+H 597697 547.256596 547.2567724955961 589.8252746842029 273.12465999999995 C14H9BrO 1 1016.79 7598 8368 2M+H 597697 547.256596 547.258491912834 368.6617150753251 273.12465999999995 C14H9BrO 1 1016.79 +7599 12067 2M+H 851629 957.8130359999998 957.8096407937101 794.4434832822978 478.40287999999987 C22H22O12 1 653.45 +7600 8994 2M+H 9587 591.7649560000001 591.7635935965966 271.0887020920038 295.37884 C18H21N3O 1 605.13 +7603 7196 2M+H 18544 476.29871599999984 476.2997190309752 897.5798756982299 237.64571999999993 C9H8ClN5O 1 636.9 +7604 10251 2M+H 559919 721.847936 721.8476093475409 351.2191113360654 360.42033 C19H29NaO5 0 691.93 +7605 9310 2M+H 586604 618.3850823999999 618.3826958316671 709.3202624396972 308.6889031999999 C15H10ClFO4 0 916.73 +7606 7386 2M+H 398529 487.179136 487.18008233438286 513.4720577214966 243.08593000000002 C6H14INO 1 633.28 +7607 6760 2M+H 26536 453.369796 453.368406837512 797.0019985529243 226.18126 C7H14O8 1 262.81 +7608 9511 2M+H 20821 635.382676 635.3819969017861 638.5704629590291 317.18769999999995 C13H10Cl2O3S 0 1049.84 7609 4500 2M+H 675299 347.2046024 347.2062197058241 526.1626719306668 173.0986632 C6H4FNO4 1 430.86 7611 11794 2M+H 475461 918.1445559999997 918.1429022082684 979.9263365348754 458.56863999999985 C28H26O4S 1 895.8 +7612 2455 2M+H 200540 260.09599599999996 260.095054333929 364.7190991490403 129.54435999999998 C5H4ClNO 1 93.55 +7615 6102 2M+H 123928 423.1982152 423.1988677148682 628.344825343067 211.0954696 C6H4F3NO4 0 603.81 +7616 6963 2M+H 724048 463.352396 463.3518937812797 983.6014043524514 231.17256 C11H19Br 1 1261.79 +7617 9158 2M+H 61084 607.329516 607.3304838266762 297.1932379295632 303.16112 C12H8Cl2O3S 1 1016.77 +7618 9159 2M+H 61084 607.329516 607.3324949584652 509.2359121792274 303.16112 C12H8Cl2O3S 1 1016.77 +7625 8251 3M+H 736190 538.267916 538.2691016687921 677.995730978204 179.08687999999998 C8H12Cl2 1 1026.63 +7627 11271 3M+H 55802 842.2290560000002 842.2263778067401 999.4505603417898 280.40726000000006 C19H24N2 1 664.13 +7628 12053 3M+H 287492 955.6970959999999 955.7009315660105 1102.34821101034 318.22993999999994 C12H16BrNO2S 0 968.43 +7632 4234 3M+H 620894 334.3033759999999 334.3025205583413 917.3850747162303 111.09869999999998 C5H5NO2 1 243.7 7633 12360 3M+H 129610 1010.2107560000001 1010.2087905992439 1021.5867580036722 336.40116 C14H24O7S 0 802.02 +7634 11055 3M+H 100703 814.4581760000001 814.4564427261687 652.5075508856621 271.1503 C12H15BrO2 1 1066.69 +7635 10676 3M+H 484977 770.035676 770.0388704398139 376.7470662135838 256.34279999999995 C16H20N2O 0 699.59 +7639 12052 3M+H 519709 955.4986531999996 955.5027370135858 686.9864833489751 318.16379239999986 C10H10F7NaO2 1 781.72 +7641 9947 3M+H 307506 685.2313160000001 685.2329120980377 411.02252925352474 228.07468 C10H7Cl2NO 1 714.07 7650 10775 3M+H 274506 781.614236 781.6174063081485 1148.618067714799 260.20232 C12H8N2O5 1 462.94 +7651 10981 3M+H 132924 806.4035995999998 806.4009253497555 656.729816443076 268.46544119999993 C2H5ClF6N2P2 0 798.33 +7653 11267 3M+H 591136 841.8863455999997 841.8853727604842 315.5555040417891 280.2930231999999 C18H13FO2 0 1101.39 +7654 12730 3M+H 71171 1076.302976 1076.3022688028443 1050.7069215589936 358.4319 C12H5Cl5O2 0 1103.68 +7656 7442 3M+H 556205 490.2990848 490.3002438407446 712.3828083148595 163.0972696 C6H4F3NO 0 702.35 +7657 11860 3M+H 611105 926.269016 926.2677037313679 1009.7435578806569 308.42058 C17H12N2S2 0 1052.53 7659 12785 3M+H 274642 1085.1987560000002 1085.1987152795725 792.1544361116266 361.39716000000004 C20H19N5O2 0 699.6 7660 6725 3M+H 726416 451.7891359999999 451.7883019966936 1248.56337427796 150.26062 C11H18 0 1025.56 +7661 9947 3M+H 560955 685.2313160000001 685.2329120980377 411.02252925352474 228.07468000000003 C10H7Cl2NO 1 888.77 +7663 10653 3M+H 432744 767.2057159999999 767.205107855154 1001.5151984750819 255.39947999999998 C12H17NOS2 0 787.12 +7669 9744 3M+H 734480 661.8002960000001 661.8008658082942 265.48414800132906 220.26434 C13H16O3 1 769.89 +7673 11659 3M+H 702676 899.229176 899.2325583182028 1038.748427986413 299.4073 C19H25NO2 1 1263.3 +7674 5428 3M+H 283992 391.3034959999999 391.3033392131738 642.4355850331926 130.09873999999996 C5H6O4-- 1 603.72 7676 12289 3M+H 260243 997.9168759999999 997.9133525892283 376.59991413230864 332.30319999999995 C14H20O9 0 824.12 +7678 11429 3M+H 671647 863.132696 863.1301310387819 987.0957614926875 287.37514 C13H21NO4S 0 491.8 +7679 10692 3M+H 579476 772.2706256 772.2717014852165 1131.4724576723445 257.0877832 C12H7Cl2FO 0 973.33 7683 11240 3M+H 336192 839.2004960000004 839.2006163608451 319.8437229664477 279.3977400000001 C15H21NO2S 0 951.4 +7684 10864 3M+H 532047 792.1111759999999 792.1111380529319 959.2012712223299 263.70129999999995 C8H10ClN3O3S 1 545.22 7685 8399 3M+H 261532 550.177079 550.1753214684582 407.33730334229256 183.056601 C3H6NO6P-- 0 77.72 7686 12505 3M+H 572848 1037.5089560000001 1037.5108502972266 793.7301508860221 345.50056 C14H19NO3S3 1 1036.71 7687 10132 3M+H 421835 706.5957560000002 706.5932735006829 1085.444708542727 235.19616000000002 C10H9N3O4 0 713.71 +7690 12522 3M+H 594163 1040.8415960000004 1040.846353157417 811.3891851911773 346.61144000000013 C10H26O5S2Si2 0 878.58 +7696 8057 3M+H 109342 526.429976 526.4308540821129 1004.9534195048834 175.1409 C9H5NO3 1 619.6 +7697 8058 3M+H 109342 526.429976 526.4324412839419 1101.645340001458 175.1409 C9H5NO3 1 619.6 +7698 12626 3M+H 185384 1058.2977560000004 1058.294044862433 1219.0030133068194 352.4301600000001 C20H24N4O2 1 667.06 +7699 11637 3M+H 439355 896.1358159999997 896.135896258302 953.1801991299405 298.3761799999999 C19H22O3 0 1328.64 +7700 11692 3M+H 377146 905.2216759999999 905.2183414422267 966.5799928305094 301.40479999999997 C20H15NS 0 882.78 7701 10482 3M+H 402354 749.0032759999999 749.0057427318302 249.22681915790514 249.33199999999997 C12H15N3OS 0 678.41 +7702 8997 3M+H 83656 592.2972560000001 592.2951751009027 729.9981563937539 197.09665999999999 C4H9BrN2S 0 108.8 7704 11201 3M+H 302608 835.1388259999999 835.137856449785 1010.0412121450133 278.04384999999996 C8H7IO3 1 729.15 7705 10718 3M+H 90322 774.731096 774.7341103606293 1277.5245124526405 257.90794 C5H6Br2O2 0 819.86 7707 11497 3M+H 138255 871.950536 871.9491309938301 795.0302881271766 290.31442 C15H18N2O4 1 873 7708 3410 M+H 572860 300.2740656 300.27318782742066 525.7214860069668 299.2667896 C10H12F3NO4S 1 990 +7709 9560 M+H 256022 640.3029189999999 640.3041049155337 278.53134797581583 639.2956429999998 C15H24N5O17P3 1 345.66 +7710 1877 M+H 543120 231.10113599999997 231.10174771528952 528.3710116535013 230.09385999999998 C9H9Cl2N3 1 536.43 +7712 8961 M+H 509369 588.3762360000001 588.3745359049078 686.1613978807488 587.36896 C30H44O4Sn 1 659.44 7718 835 M+H 628005 174.1424256 174.1432012819216 160.72113285461927 173.1351496 C8H6F3N 1 705.06 7719 1735 M+H 629397 225.06131599999998 225.060874995152 488.77995643244344 224.05404 C9H6BrNO 1 732.92 +7725 306 M+H 47679 140.116076 140.11556943231912 466.8021427274064 139.1088 C6H5NO3 1 548.01 7727 1750 M+H 666238 225.195796 225.19619238008187 1019.2596478886063 224.18852 C6H8O7S 1 467.64 +7728 4759 M+H 370426 359.2419151999998 359.24328860428415 685.046918586807 358.23463919999983 C17H8F6O2 1 913.72 +7729 2757 M+H 100703 272.157576 272.1571534679501 514.4507671593399 271.1503 C12H15BrO2 1 1066.69 7730 6595 M+H 659900 446.23707599999994 446.2370945376174 566.5095754841493 445.22979999999995 C10H20BrCl3Sn 1 819.34 +7731 6596 M+H 659900 446.23707599999994 446.23835619586544 576.4756964523424 445.22979999999995 C10H20BrCl3Sn 1 819.34 7732 5199 M+H 660832 381.3399559999998 381.3398899398511 882.5185131639475 380.3326799999998 C14H12N4O7S 1 735.63 +7734 1762 M+H 536995 226.09243599999996 226.09214718400113 791.0758089457943 225.08515999999997 C9H9BrN2 1 620.84 +7735 5599 M+H 59810 399.2493959999999 399.2499534841343 804.490418688511 398.2421199999999 C20H13Cl2N3O2 1 927.3 7736 5081 M+H 227042 374.3260560000001 374.3263321990232 840.5448930059679 373.3187800000001 C21H22Cl2N2 1 773.57 7737 1751 M+H 230852 225.22209599999996 225.22137886581652 816.3972035742171 224.21481999999997 C13H8N2O2 1 596.14 +7738 1097 M+H 860429 188.11757599999999 188.11664403205725 407.0246386965901 187.1103 C5H5N3O5 1 585.93 +7741 2800 M+H 89055 274.183637 274.18380765361536 622.4943330953001 273.176361 C10H14NNa2O3P 1 640.45 +7742 713 M+H 849101 167.181176 167.18197571349796 226.66675866892558 166.1739 C9H10O3 1 680.8 7743 3572 M+H 673726 306.2273359999999 306.2273604968853 547.5095333043779 305.22005999999993 C13H14Cl2O2S 1 1153.15 7744 6743 M+H 98026 453.1471159999999 453.1482752238792 400.1625579206258 452.13983999999994 C18H16Br2N2O2 1 888 +7745 3591 M+H 863538 307.1540360000001 307.15368419944735 560.9979010464435 306.1467600000001 C14H9Cl2N3O 1 793.77 +7746 7398 M+H 662246 487.33403600000014 487.3316311028812 851.0661619031285 486.32676000000015 C22H34Br2N2 1 1272.12 7747 2410 M+H 353252 257.2672559999999 257.26680474356044 903.3543243337456 256.2599799999999 C13H12N4O2 1 638.89 +7750 479 M+H 412295 152.12677599999998 152.12662959808296 249.03957036102344 151.1195 C7H5NO3 1 433.7 +7753 4131 M+H 128096 330.15543599999995 330.1547706947117 406.64596278242703 329.14815999999996 C15H9BrN2O2 1 809.41 7755 1924 M+H 359010 233.11701599999998 233.11728582086317 595.0933750635126 232.10974 C9H11Cl2N3 1 560.83 +7756 7732 M+H 17757 507.2035389999999 507.20341472735134 536.6576333469782 506.19626299999993 C10H17N6O12P3 1 168.43 7757 4765 M+H 472434 359.3726860000001 359.3709372776922 879.738001036601 358.3654100000001 C14H31IS 1 1074.51 7758 4761 M+H 861953 359.2631759999999 359.2617165817278 612.2490751866338 358.2558999999999 C17H10O9 1 647.21 7759 1240 M+H 36371 197.12763600000002 197.12858194958963 336.19638066236803 196.12036000000003 C6H4N4O4 1 580.55 +7760 6557 M+H 338362 444.30823199999975 444.3092741265273 652.9101335846257 443.30095599999976 C18H6F5NO5S 1 833.72 7761 2198 M+H 578960 247.24101919999995 247.24185140196192 875.365671891149 246.23374319999996 C14H11FO3 1 814.63 +7762 7949 M+H 16950 519.263866 519.2630690437385 348.2635701793745 518.25659 C7H2ClI3O 1 1167.83 7763 2917 M+H 506223 280.136516 280.137118335819 416.9175900517168 279.12924 C13H11BrO2 1 935.02 +7766 3016 M+H 46338 284.157156 284.1572760668513 607.9773653991842 283.14988 C14H12Cl2O2 1 901.39 +7767 2662 M+H 720010 268.203437 268.2022361800265 487.5554625915008 267.196161 C7H10NO6PS 1 264.69 +7769 10991 M+H 874714 807.0828360000002 807.0835416681068 959.7451283607884 806.0755600000001 C42H79NO13 1 1300.82 7770 10992 M+H 874714 807.0828360000002 807.0866062321513 959.1860220309297 806.0755600000001 C42H79NO13 1 1300.82 7777 8992 M+H 548701 591.4952959999998 591.4951770906137 1161.9695670493043 590.4880199999998 C21H18O16S2-- 1 791.59 7778 2002 M+H 580566 237.22138239999995 237.22123727630404 988.1005305587826 236.21410639999996 C13H10F2O2 1 858.76 @@ -1442,237 +4045,664 @@ 7783 2709 M+H 396563 270.152176 270.15325564446033 384.14569634609757 269.1449 C9H10Cl2O3S 1 988.6 7784 903 M+H 528236 178.16735599999998 178.16716846647859 494.952842583029 177.16008 C8H7N3O2 1 483.64 7785 2202 M+H 114971 248.09311600000004 248.09192658191313 311.7203143746251 247.08584000000005 C9H11BrO3 1 869.58 +7787 1823 M+H 112180 228.23263599999993 228.2322010488026 997.3295026267606 227.22535999999994 C10H9N7 1 681.03 +7788 3815 M+H 201607 316.2847959999999 316.2845101850979 705.8230779767275 315.2775199999999 C16H13NO6 1 766.24 +7789 3379 M+H 586826 299.2213455999999 299.2215489758615 700.7637717054438 298.2140695999999 C14H9F3O4 1 844.28 7790 672 M+H 89678 165.163756 165.16393933275822 728.1461260467846 164.15648000000002 C6H12O5 1 397.82 +7792 2572 M+H 864457 265.07090600000004 265.0709838193666 340.6144576647893 264.06363000000005 C7H9IN2O 1 470.42 +7793 2216 M+H 578120 248.22907919999997 248.2299392575593 817.0581556280591 247.22180319999998 C13H10FNO3 1 708.11 7794 3058 M+H 230948 285.27911599999993 285.278661348538 858.2273215597492 284.27183999999994 C10H16N6O4-- 1 683.23 7795 4758 M+H 257386 359.2267159999998 359.22562477547297 491.7102068380292 358.2194399999998 C14H6N4O8 1 638.97 7796 3518 M+H 237695 304.30053599999997 304.2997462617335 747.2738379549876 303.29326 C13H9N3O4S 1 734.49 7797 1539 M+H 365964 214.07843599999998 214.079435200523 418.57354927803544 213.07116 C9H9BrO 1 905.99 7798 903 M+H 46834 178.16735599999998 178.16716846647859 494.952842583029 177.16008 C8H7N3O2 1 466.94 7802 3563 M+H 135625 306.1692760000001 306.1699612653466 458.38424213063615 305.1620000000001 C14H10Cl2N4 1 983.14 +7803 5279 M+H 272396 385.2691760000001 385.269579246161 642.7527008623072 384.2619000000001 C19H15Cl2N5 1 738.11 +7804 3343 M+H 586092 298.1406759999999 298.1408287999024 254.669884834341 297.13339999999994 C14H10Cl2O3 1 1041.24 +7805 3489 M+H 5553 303.2495759999999 303.24895886523734 889.8763498671526 302.2422999999999 C13H10N4O5 1 670.1 7807 2892 M+H 288452 278.22053600000004 278.21970687964455 695.5463424384441 277.21326000000005 C11H14Cl2N2S 1 975.26 +7808 1539 M+H 590516 214.07843599999998 214.079435200523 418.57354927803544 213.07116 C9H9BrO 1 751.6 7810 2376 M+H 537351 256.161476 256.16226944063226 556.8139682096138 255.15419999999997 C11H15BrN2 1 811.63 +7813 4803 M+H 403579 361.24117599999994 361.2403985933864 503.44521703785483 360.23389999999995 C19H15Cl2NO2 1 1127.04 +7814 4208 M+H 287500 333.26379599999996 333.2632711322049 843.2705959154301 332.25651999999997 C13H18BrNO2S 1 992.95 +7815 3507 M+H 61084 304.168396 304.16872141317157 813.12353132987 303.16112 C12H8Cl2O3S 1 1016.77 +7816 3410 2M+2H 572860 300.2740656 300.27318782742066 525.7214860069668 299.2667896 C10H12F3NO4S 1 990 +7818 1877 2M+2H 543120 231.10113599999997 231.10174771528952 528.3710116535013 230.09385999999998 C9H9Cl2N3 1 536.43 7822 2939 2M+2H 66531 281.111606 281.1124774171698 254.00787786136883 280.10433 C12H9I 1 1014.33 7823 195 2M+2H 569773 131.11827311199997 131.11820673065228 216.89397770217363 130.11099711199998 C4H3D4NaO3 1 293.51 7824 6066 2M+2H 640453 421.294586 421.294062072198 704.1148310458399 420.28731 C19H21IN2O 1 945.23 7825 3518 2M+2H 174367 304.30053599999997 304.2997462617335 747.2738379549876 303.29326 C13H9N3O4S 1 648.68 7826 835 2M+2H 628005 174.1424256 174.1432012819216 160.72113285461927 173.1351496 C8H6F3N 1 705.06 +7827 1735 2M+2H 629397 225.06131599999998 225.060874995152 488.77995643244344 224.05404 C9H6BrNO 1 732.92 +7828 5112 2M+2H 96094 376.2620959999999 376.263690284865 875.8454411881 375.2548199999999 C16H23BrO5 1 1042.64 7829 4823 2M+2H 169178 362.25203700000003 362.2537978647829 533.620120648014 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 7831 6890 2M+2H 128922 459.13177599999995 459.1315198881284 555.0808987323604 458.12449999999995 C15H10Br2N2O3S 1 1013.2 +7834 2497 2M+2H 289896 262.093237 262.0937575717818 268.9174641223052 261.085961 C7H15Cl2N2O2P 1 668.27 +7835 1750 2M+2H 666238 225.195796 225.19619238008187 1019.2596478886063 224.18852 C6H8O7S 1 467.64 +7836 4759 2M+2H 370426 359.2419151999998 359.24328860428415 685.046918586807 358.23463919999983 C17H8F6O2 1 913.72 +7837 2757 2M+2H 100703 272.157576 272.1571534679501 514.4507671593399 271.1503 C12H15BrO2 1 1066.69 +7841 3413 2M+2H 536640 300.75729599999994 300.7565895831948 572.7438871806556 299.75001999999995 C14H18ClNO4 1 753.05 7848 3204 2M+2H 583161 291.2538191999999 291.25284825941696 781.4748534084662 290.2465431999999 C14H11FN2O4 1 648.6 7849 2800 2M+2H 89055 274.183637 274.18380765361536 622.4943330953001 273.176361 C10H14NNa2O3P 1 640.45 +7851 3572 2M+2H 673726 306.2273359999999 306.2273604968853 547.5095333043779 305.22005999999993 C13H14Cl2O2S 1 1153.15 7852 6743 2M+2H 98026 453.1471159999999 453.1482752238792 400.1625579206258 452.13983999999994 C18H16Br2N2O2 1 888 +7854 7398 2M+2H 662246 487.33403600000014 487.3316311028812 851.0661619031285 486.32676000000015 C22H34Br2N2 1 1272.12 7856 2707 2M+2H 381968 270.14169599999997 270.1415685120245 547.3383034807309 269.13442 C12H13BrO2 1 878.54 +7857 1606 2M+2H 728317 217.1805688 217.18011650217974 1189.018528031078 216.1732928 C8H12F4O2 1 774.47 +7858 479 2M+2H 412295 152.12677599999998 152.12662959808296 249.03957036102344 151.1195 C7H5NO3 1 433.7 +7860 2348 2M+2H 617576 255.087296 255.08612339285563 406.0379941522081 254.08002000000002 C10H8BrNO2 1 670.55 +7861 4131 2M+2H 128096 330.15543599999995 330.1547706947117 406.64596278242703 329.14815999999996 C15H9BrN2O2 1 809.41 7862 9959 2M+2H 258794 686.4254256000002 686.4259347981649 645.7318003001892 685.4181496000001 C31H16BrF3O8S 1 1287.39 +7864 7732 2M+2H 17757 507.2035389999999 507.20341472735134 536.6576333469782 506.19626299999993 C10H17N6O12P3 1 168.43 +7865 4765 2M+2H 472434 359.3726860000001 359.3709372776922 879.738001036601 358.3654100000001 C14H31IS 1 1074.51 7867 1240 2M+2H 36371 197.12763600000002 197.12858194958963 336.19638066236803 196.12036000000003 C6H4N4O4 1 580.55 7868 6557 2M+2H 338362 444.30823199999975 444.3092741265273 652.9101335846257 443.30095599999976 C18H6F5NO5S 1 833.72 7869 2198 2M+2H 578960 247.24101919999995 247.24185140196192 875.365671891149 246.23374319999996 C14H11FO3 1 814.63 +7870 7949 2M+2H 16950 519.263866 519.2630690437385 348.2635701793745 518.25659 C7H2ClI3O 1 1167.83 +7871 2917 2M+2H 506223 280.136516 280.137118335819 416.9175900517168 279.12924 C13H11BrO2 1 935.02 7872 1467 2M+2H 345070 209.19093599999994 209.1901132149483 930.2957726684666 208.18365999999995 C16H9Li 1 1119.95 +7874 3016 2M+2H 46338 284.157156 284.1572760668513 607.9773653991842 283.14988 C14H12Cl2O2 1 901.39 +7876 6694 2M+2H 233503 450.24999599999995 450.2510568039061 544.0270082965312 449.24271999999996 C16H18Cl2N4O7 1 660.21 +7879 2701 2M+2H 588237 270.10193599999997 270.1026940442086 867.3717011453278 269.09466 C10H9BrN2O2 1 796.19 7880 3489 2M+2H 291339 303.2495759999999 303.24895886523734 889.8763498671526 302.2422999999999 C13H10N4O5 1 731.72 +7884 1751 2M+2H 211673 225.22055600000002 225.22137886581652 816.3972035742171 224.21328000000003 C10H12N2O4 1 632.79 +7885 8992 2M+2H 548701 591.4952959999998 591.4951770906137 1161.9695670493043 590.4880199999998 C21H18O16S2-- 1 791.59 +7886 2002 2M+2H 580566 237.22138239999995 237.22123727630404 988.1005305587826 236.21410639999996 C13H10F2O2 1 858.76 +7888 3907 2M+2H 303934 320.2421055999999 320.2432502479087 563.1840529600545 319.2348295999999 C16H8F3NO3 1 918.19 +7892 903 2M+2H 528236 178.16735599999998 178.16716846647859 494.952842583029 177.16008 C8H7N3O2 1 483.64 +7893 2202 2M+2H 114971 248.09311600000004 248.09192658191313 311.7203143746251 247.08584000000005 C9H11BrO3 1 869.58 +7894 2203 2M+2H 114971 248.09311600000004 248.09197522628182 701.7626740402588 247.08584000000005 C9H11BrO3 1 869.58 +7895 1823 2M+2H 112180 228.23263599999993 228.2322010488026 997.3295026267606 227.22535999999994 C10H9N7 1 681.03 7896 3815 2M+2H 201607 316.2847959999999 316.2845101850979 705.8230779767275 315.2775199999999 C16H13NO6 1 766.24 +7897 3379 2M+2H 586826 299.2213455999999 299.2215489758615 700.7637717054438 298.2140695999999 C14H9F3O4 1 844.28 +7902 3058 2M+2H 230948 285.27911599999993 285.278661348538 858.2273215597492 284.27183999999994 C10H16N6O4-- 1 683.23 +7904 3518 2M+2H 237695 304.30053599999997 304.2997462617335 747.2738379549876 303.29326 C13H9N3O4S 1 734.49 7905 1539 2M+2H 365964 214.07843599999998 214.079435200523 418.57354927803544 213.07116 C9H9BrO 1 905.99 +7906 903 2M+2H 46834 178.16735599999998 178.16716846647859 494.952842583029 177.16008 C8H7N3O2 1 466.94 7909 2701 2M+2H 546125 270.10193599999997 270.1026940442086 867.3717011453278 269.09466 C10H9BrN2O2 1 792.75 7910 3563 2M+2H 135625 306.1692760000001 306.1699612653466 458.38424213063615 305.1620000000001 C14H10Cl2N4 1 983.14 7911 5279 2M+2H 272396 385.2691760000001 385.269579246161 642.7527008623072 384.2619000000001 C19H15Cl2N5 1 738.11 7912 3343 2M+2H 586092 298.1406759999999 298.1408287999024 254.669884834341 297.13339999999994 C14H10Cl2O3 1 1041.24 +7914 4698 2M+2H 868693 356.3537159999999 356.35224822435407 864.256918624386 355.3464399999999 C14H21N5O6 1 594.64 7916 1539 2M+2H 590516 214.07843599999998 214.079435200523 418.57354927803544 213.07116 C9H9BrO 1 751.6 +7917 2345 2M+2H 410741 255.052866 255.05354277239516 695.1315222027443 254.04559 C5H3IO2S 1 738.31 +7918 2376 2M+2H 537351 256.161476 256.16226944063226 556.8139682096138 255.15419999999997 C11H15BrN2 1 811.63 +7923 3507 2M+2H 61084 304.168396 304.16872141317157 813.12353132987 303.16112 C12H8Cl2O3S 1 1016.77 +7926 4928 3M+2H 239497 367.376246 367.3759333681083 1064.3942968236272 244.24597999999997 C13H12N2O3 1 646.9 +7927 8328 3M+2H 487154 543.8009660000002 543.8029722533663 405.0569909911029 361.8624600000001 C20H24ClNO3 1 741.32 +7929 1491 3M+2H 354598 211.08302599999996 211.08280228788885 289.38022388960246 140.05049999999997 C5O5 1 531.63 +7930 4537 3M+2H 595776 349.18162040000004 349.18033768689253 859.4788818394853 232.11622960000003 C8H3F3N2O3 1 776.4 +7931 7591 3M+2H 688314 498.1560859999999 498.15844762613824 329.1361670337279 331.43253999999996 C17H21N3O2S 0 990.47 +7932 1081 3M+2H 372761 187.12550749999997 187.12639032355779 1095.1032181014843 124.07882099999999 C2H9N2O2P 1 399.38 +7933 7781 3M+2H 247760 510.0920960000001 510.0944168515322 207.51570282816422 339.38988000000006 C22H17N3O 0 879.05 7934 4282 3M+2H 629397 337.08833599999997 337.08887390079644 403.07552233943693 224.05404 C9H6BrNO 1 732.92 +7938 6381 3M+2H 47457 435.7096159999999 435.7093021138717 198.42515249445304 289.80155999999994 C13H24ClN3O2 1 799.71 +7939 3747 3M+2H 661921 313.328096 313.32928069168133 982.9905934449182 208.21388000000002 C10H12N2O3 1 342.95 +7941 9973 3M+2H 128922 688.194026 688.1934642584297 998.55107921846 458.12449999999995 C15H10Br2N2O3S 1 1013.2 7943 7015 3M+2H 587155 466.40902039999975 466.4090588137509 947.101064448525 310.26782959999986 C16H13F3O3 1 1041.01 +7944 8036 3M+2H 674727 525.1466060000001 525.1462473685771 238.3818690874096 349.42622000000006 C21H23N3O2 1 1046.46 +7950 9097 3M+2H 685896 601.776686 601.7773652392887 243.30632243861524 400.51294 C19H36N4O5 1 597.27 +7951 6364 3M+2H 246663 435.12830600000007 435.12773777803545 445.78854146381934 289.41402000000005 C21H23N 0 1070.37 7952 3946 3M+2H 677125 322.21603039999997 322.21656509058596 812.2070470727019 214.1391696 C7H9F3O4 1 747.94 +7956 4979 3M+2H 303373 370.2068060000001 370.2058296080474 515.3293813458711 246.13302000000004 C11H13Cl2NO 0 885.08 +7957 7457 3M+2H 613384 491.24216600000005 491.244550573552 498.09365753676263 326.82326000000006 C18H19ClN4 0 848.71 +7959 9179 3M+2H 264064 609.3634160000001 609.361890867797 743.0819252342014 405.57076000000006 C24H39NO4 1 740.96 +7960 6974 3M+2H 228544 464.25164599999994 464.2498519750308 543.3407294597907 308.82957999999996 C14H17ClN4S 1 831.38 +7962 6500 3M+2H 144464 442.06733599999995 442.06758314803955 1070.203066221002 294.04004 C14H6FeO4---------- 1 867.93 7963 8077 3M+2H 263511 528.2350160000001 528.2329102114453 441.71096647732645 351.48516000000006 C22H29N3O 1 788.97 +7967 11057 3M+2H 442240 814.6904989999998 814.687305617711 1194.9690792336294 542.4554819999998 C30H24O6P2 0 1061.76 7968 7749 3M+2H 709795 508.21789099999995 508.2166029976976 441.0721630391576 338.14041 C14H11IO2 1 1268.39 7969 7750 3M+2H 709795 508.21789099999995 508.21967464659735 451.91277338689497 338.14041 C14H11IO2 1 1268.39 +7971 6260 3M+2H 564971 430.22480600000006 430.22570382534366 588.964424074636 286.14502000000005 C10H8BrNO2S 1 1077.92 +7972 3085 3M+2H 645256 286.31012599999997 286.31005607437936 847.3170559006068 190.2019 C9H10N4O 1 612.23 +7973 7526 3M+2H 725509 495.0952459999999 495.0946401993036 910.9134285778326 329.39197999999993 C15H27N3O5 1 601.26 +7975 6453 3M+2H 654877 439.8046460000001 439.8044453759097 1262.3144643117878 292.5315800000001 C18H32OSi 1 889.84 7977 10314 3M+2H 262346 727.8395204 727.8362042255036 291.41271083094244 484.55482959999995 C22H23F3N2O3S2 0 1157.59 7979 4707 3M+2H 615729 357.13610600000004 357.13617316922154 459.59782130083386 237.41922000000002 C10H13BrMg 1 1000.94 7980 5716 3M+2H 23306 405.081896 405.08091940676013 420.75942151961135 269.38308 C14H27N3O2 0 146.79 7981 5717 3M+2H 23306 405.081896 405.0820138027959 319.35197619133527 269.38308 C14H27N3O2 1 146.79 +7982 2450 3M+2H 558424 259.2005456 259.2015906631334 367.4349204505178 172.12884640000001 C8H6F2O2 1 698.29 +7984 5628 3M+2H 270448 401.09468599999997 401.09329160527494 301.18352077305366 266.72494 C16H11ClN2 0 934.97 7986 592 3M+2H 445333 160.0976375 160.0971961061114 250.7801788083924 106.060241 C3H7O2P 0 302.82 +7989 3439 3M+2H 559027 301.2480103999999 301.2480637651291 663.0606631425429 200.16048959999992 C9H7F3N2 1 770.37 +7990 4349 3M+2H 42856 340.15763 340.1575995679777 478.6151517656169 226.100236 C8H3F5O2 1 958.44 7994 8788 3M+2H 316106 574.750796 574.7520214843458 351.02145787525615 382.49568 C30H22 0 1106.15 +7995 9094 3M+2H 321399 601.3739195 601.3714798146675 849.8115349903919 400.24442899999997 C15H21IN2O3 0 651.78 8000 3583 3M+2H 202797 307.0666508 307.06730981646984 301.0170757958027 204.03958319999998 C7H7BrFN 1 590.9 8005 3148 3M+2H 395178 289.1406452 289.13942042821793 367.71524318912304 192.0889128 C3F4O3S 1 761.21 8006 7948 3M+2H 572848 519.2581160000001 519.2567195718575 639.6911371821201 345.50056 C14H19NO3S3 1 1036.71 8007 8840 3M+2H 399361 579.222206 579.2248452855652 367.9596411456215 385.47661999999997 C21H23NO4S 1 835.3 +8008 4168 3M+2H 309924 331.33919599999996 331.3400391979087 836.3844520532764 220.22127999999998 C12H12O4 1 669.73 +8009 5906 3M+2H 212825 414.28502599999996 414.2847417353004 525.3846652721785 275.51849999999996 C10H5Cl3N2O 0 908.6 +8010 8674 3M+2H 547721 567.3482660000003 567.3505425334579 1147.7737509936326 377.56066000000015 C23H39NO3 0 1078.58 8011 4168 3M+2H 608852 331.3391960000001 331.3400391979087 836.3844520532764 220.22128000000004 C12H12O4 1 709.04 +8012 5828 3M+2H 597697 410.6942659999999 410.69523854837814 251.91498979723437 273.12465999999995 C14H9BrO 1 1016.79 8013 2385 3M+2H 207056 256.2139508 256.2140880956279 771.1317698047767 170.13778320000003 C8H7FO3 1 682.6 +8015 6172 3M+2H 443050 426.3105860000003 426.31062852696186 715.6392291470244 283.5355400000002 C19H41N 1 578.1 +8016 3714 3M+2H 603552 312.190766 312.18923027849553 606.9667568075708 207.45566 C5H4BrClN2 1 710.54 8017 3715 3M+2H 603552 312.190766 312.19144770370804 266.9990216497401 207.45566 C5H4BrClN2 1 710.54 +8019 3597 3M+2H 203918 307.2261104 307.2266573755396 636.0344706805308 204.14588959999998 C9H7F3O2 1 761.98 8029 2514 3M+2H 81566 262.2517303999999 262.253031531197 874.966816546295 174.16296959999994 C9H9F3 1 953.7 +8030 4606 3M+2H 594725 352.31942599999996 352.3206082935992 902.8721368076748 234.20809999999997 C11H10N2O4 1 624.12 8031 8081 3M+2H 609966 528.2624660000001 528.2606117149752 368.8351189481124 351.50346 C19H29NO3S 0 1097.47 +8032 8082 3M+2H 609966 528.2624660000001 528.2622329281517 555.5726241135549 351.50346 C19H29NO3S 1 1097.47 +8038 1932 M+2H 435206 233.1954259999999 233.19434722206117 443.2187380609691 464.37629999999984 C21H20O12 1 660.88 +8039 1294 M+2H 59810 200.12833599999993 200.12830932709718 412.0195338907605 398.2421199999999 C20H13Cl2N3O2 1 927.3 +8042 2132 M+2H 662246 244.17065600000006 244.169738552197 703.4750444865704 486.32676000000015 C22H34Br2N2 0 1272.12 +8045 349 M+2H 274612 143.11748599999996 143.11809225554134 801.7409758555013 284.22041999999993 C15H8O6 1 784.78 +8047 351 M+2H 274612 143.11748599999996 143.11809237622322 258.787502317099 284.22041999999993 C15H8O6 1 784.78 +8048 273 M+2H 244883 138.01931079999997 138.01878152505697 307.9200474890975 274.02406959999996 C8H4Cl2F3NO2 0 949.32 +8049 3955 M+2H 272651 322.9134660000001 322.91467631197895 1141.3639199937097 643.8123800000002 C31H57N5O9 0 715.15 +8050 184 M+2H 10767 130.122906 130.12281477651482 239.85632890032446 258.23126 C9H14N4O5 0 62.62 8052 228 M+2H 138184 134.068606 134.0684237117552 450.75299946994795 266.12266 C13H9Cl2NO 1 949.53 +8053 277 M+2H 636794 138.06286599999996 138.0631885856425 617.8734596235338 274.11117999999993 C10H12BrNO3 1 821.41 +8054 1155 M+2H 65118 192.05447839999988 192.05427863047885 296.2480933983063 382.0944047999998 C8H4F14O 1 866.44 +8055 1474 M+2H 567069 210.104486 210.10537211063055 186.16440422584296 418.19442000000004 C21H33NSn 1 675.54 +8056 277 M+2H 169244 138.063636 138.0631885856425 617.8734596235338 274.11272 C13H8BrNO 1 806.53 8060 1075 M+2H 67505 187.08647099999996 187.08671266037913 263.0340732805382 372.15838999999994 C13H13IN2O3 0 640.46 +8062 211 M+2H 614276 133.048031 133.0479803679697 507.2646612814224 264.08151000000004 C7H6Cl2NaO3S+ 1 775.35 8063 2099 2M+3H 487154 242.2489160000001 242.24775946504238 877.463464150815 361.8624600000001 C20H24ClNO3 1 741.32 +8065 1532 2M+3H 287492 213.1605693333333 213.15963057408038 380.0985503171536 318.22993999999994 C12H16BrNO2S 1 968.43 +8066 7 2M+3H 41343 111.1168248 111.11707209942239 999.9674214449866 165.16432319999998 C9H8FNO 1 613.77 +8072 8317 2M+3H 241775 542.8639960000002 542.8648488751016 942.9214013377025 812.7850800000003 C30H52O23S 0 396.32 +8080 171 2M+3H 395178 129.06655120000002 129.0661219085395 413.3095996646209 192.0889128 C3F4O3S 1 761.21 +8082 1330 2M+3H 583013 202.1062024 202.10629592386908 1277.1799828234277 301.6483896 C13H7ClF3NO2 1 863.29 8083 1331 2M+3H 583013 202.1062024 202.10665055104008 389.42886385585734 301.6483896 C13H7ClF3NO2 1 863.29 +8085 6551 2M+3H 256312 444.2227693333335 444.22382531952996 530.0904113656417 664.8232400000003 C36H56O11 1 764.65 +8086 2075 2M+3H 497634 241.19034266666674 241.1907549149854 326.34546384346675 360.2746000000001 C22H20N2Ti-- 1 941.55 +8088 4021 2M+3H 194684 325.23753600000003 325.2390122635371 636.0163984481135 486.34539 C23H23IN2O2 1 890.96 +8089 1466 2M+3H 8739 209.16535599999995 209.1649025307554 264.810913918013 312.2371199999999 C14H8N4O5 1 716.36 +8092 2227 2M+3H 67505 249.1128693333333 249.11222649446927 573.1144525074388 372.15838999999994 C13H13IN2O3 1 640.46 +8098 3410 3M+3H 572860 300.2740656 300.27318782742066 525.7214860069668 299.2667896 C10H12F3NO4S 1 990 +8099 9560 3M+3H 256022 640.3029189999997 640.3041049155337 278.53134797581583 639.2956429999998 C15H24N5O17P3 1 345.66 8100 1877 3M+3H 543120 231.101136 231.10174771528952 528.3710116535013 230.09385999999998 C9H9Cl2N3 1 536.43 +8101 3018 3M+3H 418708 284.16827599999993 284.1689306683844 335.56627995454926 283.16099999999994 C13H15BrO2 1 1235.38 8104 2939 3M+3H 66531 281.111606 281.1124774171698 254.00787786136883 280.10433 C12H9I 1 1014.33 8105 195 3M+3H 569773 131.118273112 131.11820673065228 216.89397770217363 130.11099711199998 C4H3D4NaO3 1 293.51 +8111 4823 3M+3H 169178 362.25203700000003 362.2537978647829 533.620120648014 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +8112 6889 3M+3H 128922 459.13177599999995 459.1301990858015 466.1566286456924 458.12449999999995 C15H10Br2N2O3S 1 1013.2 +8117 1750 3M+3H 666238 225.195796 225.19619238008187 1019.2596478886063 224.18852 C6H8O7S 1 467.64 +8118 4759 3M+3H 370426 359.24191519999977 359.24328860428415 685.046918586807 358.23463919999983 C17H8F6O2 1 913.72 8121 6596 3M+3H 659900 446.2370759999999 446.23835619586544 576.4756964523424 445.22979999999995 C10H20BrCl3Sn 1 819.34 +8122 5199 3M+3H 660832 381.3399559999998 381.3398899398511 882.5185131639475 380.3326799999998 C14H12N4O7S 1 735.63 +8123 3413 3M+3H 536640 300.75729599999994 300.7565895831948 572.7438871806556 299.75001999999995 C14H18ClNO4 1 753.05 +8124 1762 3M+3H 536995 226.092436 226.09214718400113 791.0758089457943 225.08515999999997 C9H9BrN2 1 620.84 8128 1097 3M+3H 860429 188.11757599999999 188.11664403205725 407.0246386965901 187.1103 C5H5N3O5 1 585.93 8132 713 3M+3H 849101 167.18117600000002 167.18197571349796 226.66675866892558 166.1739 C9H10O3 1 680.8 +8137 2410 3M+3H 353252 257.2672559999999 257.26680474356044 903.3543243337456 256.2599799999999 C13H12N4O2 1 638.89 +8143 4131 3M+3H 128096 330.15543599999995 330.1547706947117 406.64596278242703 329.14815999999996 C15H9BrN2O2 1 809.41 8144 9959 3M+3H 258794 686.4254256 686.4259347981649 645.7318003001892 685.4181496000001 C31H16BrF3O8S 1 1287.39 8145 1924 3M+3H 359010 233.117016 233.11728582086317 595.0933750635126 232.10974 C9H11Cl2N3 1 560.83 +8146 7732 3M+3H 17757 507.2035389999999 507.20341472735134 536.6576333469782 506.19626299999993 C10H17N6O12P3 1 168.43 +8147 4765 3M+3H 472434 359.3726860000001 359.3709372776922 879.738001036601 358.3654100000001 C14H31IS 1 1074.51 8152 7949 3M+3H 16950 519.2638659999999 519.2630690437385 348.2635701793745 518.25659 C7H2ClI3O 1 1167.83 8153 2917 3M+3H 506223 280.136516 280.137118335819 416.9175900517168 279.12924 C13H11BrO2 1 935.02 +8154 1467 3M+3H 345070 209.19093599999997 209.1901132149483 930.2957726684666 208.18365999999995 C16H9Li 1 1119.95 +8159 10991 3M+3H 874714 807.082836 807.0835416681068 959.7451283607884 806.0755600000001 C42H79NO13 1 1300.82 8161 2701 3M+3H 588237 270.10193599999997 270.1026940442086 867.3717011453278 269.09466 C10H9BrN2O2 1 796.19 +8168 2002 3M+3H 580566 237.22138239999995 237.22123727630404 988.1005305587826 236.21410639999996 C13H10F2O2 1 858.76 +8170 3907 3M+3H 303934 320.2421055999999 320.2432502479087 563.1840529600545 319.2348295999999 C16H8F3NO3 1 918.19 8171 440 3M+3H 373981 150.09225700000002 150.0915520498209 325.8501325979891 149.084981 C4H8NO3P 1 588.75 8172 5645 3M+3H 321399 401.25170499999996 401.25287088671695 708.7225858548553 400.24442899999997 C15H21IN2O3 1 651.78 +8173 2709 3M+3H 396563 270.152176 270.15325564446033 384.14569634609757 269.1449 C9H10Cl2O3S 1 988.6 +8176 2203 3M+3H 114971 248.09311600000004 248.09197522628182 701.7626740402588 247.08584000000005 C9H11BrO3 1 869.58 8177 1823 3M+3H 112180 228.23263599999996 228.2322010488026 997.3295026267606 227.22535999999994 C10H9N7 1 681.03 8179 3379 3M+3H 586826 299.2213455999999 299.2215489758615 700.7637717054438 298.2140695999999 C14H9F3O4 1 844.28 8180 672 3M+3H 89678 165.16375600000003 165.16393933275822 728.1461260467846 164.15648000000002 C6H12O5 1 397.82 +8181 1566 3M+3H 323495 215.109556 215.11021329527816 428.61116628246486 214.10228 C9H12BrN 1 670.35 +8187 1539 3M+3H 365964 214.078436 214.079435200523 418.57354927803544 213.07116 C9H9BrO 1 905.99 +8189 3018 3M+3H 603699 284.16981599999997 284.1689306683844 335.56627995454926 283.16254 C16H11Br 1 1170.51 +8192 3563 3M+3H 135625 306.16927600000014 306.1699612653466 458.38424213063615 305.1620000000001 C14H10Cl2N4 1 983.14 +8193 5279 3M+3H 272396 385.2691760000001 385.269579246161 642.7527008623072 384.2619000000001 C19H15Cl2N5 1 738.11 +8194 3343 3M+3H 586092 298.1406759999999 298.1408287999024 254.669884834341 297.13339999999994 C14H10Cl2O3 1 1041.24 8196 4698 3M+3H 868693 356.3537159999999 356.35224822435407 864.256918624386 355.3464399999999 C14H21N5O6 1 594.64 +8197 2892 3M+3H 288452 278.2205360000001 278.21970687964455 695.5463424384441 277.21326000000005 C11H14Cl2N2S 1 975.26 +8207 140 M+3H 96094 126.09221599999996 126.09160512015443 255.80154083367677 375.2548199999999 C16H23BrO5 1 1042.64 8208 1773 M+3H 226909 226.18882933333327 226.18818043708796 684.5368569852046 675.5446599999998 C25H24N2O8Pt 1 593.44 8209 3520 M+3H 559344 304.8942703333335 304.8942870642474 1141.7638642069896 911.6609830000004 C30H40N7O18P3S---- 1 634.47 8210 713 M+3H 44003 167.1816893333333 167.18197571349796 226.66675866892558 498.52323999999993 C30H26O7 1 1061.35 +8211 151 M+3H 385846 127.09455600000001 127.09485248734397 250.58803763774245 378.26184 C21H16BrNO 1 1031.83 +8213 130 M+3H 67505 125.06007266666666 125.05997187018556 436.62203746057116 372.15838999999994 C13H13IN2O3 1 640.46 +8216 12 M+3H 631574 112.07606266666672 112.07590666093934 975.1682081659768 333.20636000000013 C13H9BrN4S 1 733.14 +8219 4866 2M+NH4 628005 364.3041222 364.3054958495055 879.8054005630437 173.1351496 C8H6F3N 1 705.06 +8220 5136 2M+NH4 483980 377.32602299999996 377.32539454828077 910.3821045728359 179.6461 C10H10ClN 1 894.52 8223 4168 2M+NH4 610987 331.33886299999995 331.3400391979087 836.3844520532764 156.65251999999998 C9H13Cl 1 998.17 +8224 8640 2M+NH4 368424 565.3828629999998 565.382682796687 1073.3930410603805 273.6745199999999 C13H8ClN3O2 0 858.72 8230 2167 2M+NH4 494414 246.1170086 246.1161569507477 467.29252779185276 114.04159279999999 C3H2F4 1 750.59 +8231 8903 2M+NH4 222379 584.5954630000001 584.5975306445931 227.6238892259586 283.28082000000006 C13H28Cl2N2 1 388.51 8235 5598 2M+NH4 554242 399.20258300000006 399.20178284335697 556.0806069035715 190.58438000000004 C6H7ClN2O3 1 578.22 8247 10913 2M+NH4 296020 797.8318230000002 797.8319078928737 1007.3277643008182 389.8990000000001 C19H20ClN3O2S 1 727.99 +8248 10914 2M+NH4 296020 797.8318230000002 797.8349458026769 1007.399877522394 389.8990000000001 C19H20ClN3O2S 1 727.99 +8250 9526 2M+NH4 137924 636.4081429999999 636.4105555191647 711.9994669710718 309.18715999999995 C16H14Cl2O2 1 1093.05 +8253 7669 2M+NH4 11024 503.2590357999998 503.26120423033115 597.4099626186983 242.61260639999992 C9H5ClF2N4 0 817.62 +8255 11495 2M+NH4 256481 871.194983 871.1964701723819 1073.8914923742832 426.58058 C30H22OSi 1 1211.85 +8256 11089 2M+NH4 652087 819.9138630000001 819.9171470531629 395.9708642376288 400.94002000000006 C20H33ClN2O4 0 639.18 +8258 6968 2M+NH4 504491 464.17238299999997 464.17468942401945 399.1274567336591 223.06928 C9H7BrN2 0 667.17 +8265 6153 2M+NH4 485302 425.3688229999999 425.36726597838856 880.191236847664 203.66749999999996 C12H10ClN 1 816.45 8269 10584 2M+NH4 992 761.1161029999998 761.1191674644106 995.0935695381947 371.5411399999999 C15H21N3O2S3 0 655.36 8271 7613 2M+NH4 615700 499.31334300000003 499.3122817246098 800.7367929043966 240.63976000000002 C11H9ClO4 1 879.89 +8272 4361 2M+NH4 367738 340.348583 340.34794105499554 1033.569340210357 161.15738000000002 C9H7NO2 1 679.35 +8273 5820 2M+NH4 36371 410.27454300000005 410.2745056650892 672.3911694214628 196.12036000000003 C6H4N4O4 0 580.55 +8275 6624 2M+NH4 215975 447.251983 447.25203333781326 831.0646491938321 214.60908 C7H7ClN4O2 1 648.57 8276 8353 2M+NH4 575927 545.386623 545.3856022873347 934.6588350925958 263.6764 C13H10ClNO3 1 761.3 +8277 9386 2M+NH4 533128 626.6297029999998 626.6274938814431 276.01722682196953 304.2979399999999 C15H16N2O5 1 643.14 +8289 6558 2M+NH4 167929 444.30940219999997 444.31052753511796 563.2492896104558 213.1377896 C4H2F3N3O2S 1 603.17 +8291 7710 2M+NH4 618161 505.410423 505.41027474957343 1066.0875835426784 243.6883 C14H10ClNO 1 1025.72 +8292 8009 2M+NH4 552590 522.3422613999999 522.341185490935 699.3453613134932 252.15421919999994 C8H10F6O2 1 858.04 +8293 9004 2M+NH4 671647 592.784103 592.782997629551 298.0440747536384 287.37514 C13H21NO4S 1 491.8 +8297 9058 2M+NH4 316958 598.3219429999999 598.3216902780913 637.3733032829481 290.14405999999997 C15H9Cl2NO 1 1280.36 +8299 5659 2M+NH4 395178 402.2116486 402.2112705069304 444.1090862038429 192.0889128 C3F4O3S 0 761.21 8300 5660 2M+NH4 395178 402.2116486 402.21235513618683 518.6651833651227 192.0889128 C3F4O3S 0 761.21 +8311 4737 2M+NH4 207056 358.30938940000004 358.3080454325627 961.8333914973864 170.13778320000003 C8H7FO3 1 682.6 +8312 7710 2M+NH4 579847 505.4104229999999 505.41027474957343 1066.0875835426784 243.68829999999997 C14H10ClNO 1 954.39 8313 10993 2M+NH4 674222 807.2623029999999 807.2620201880393 1062.3568853476008 394.61423999999994 C20H26O2S3 0 1083.62 +8314 10003 2M+NH4 122870 690.8092230000001 690.8076337286243 316.37141253403934 336.38770000000005 C19H20N4O2 1 613.7 +8315 10004 2M+NH4 122870 690.8092230000001 690.8125066122014 264.35618711127563 336.38770000000005 C19H20N4O2 0 613.7 +8316 8978 2M+NH4 551016 590.261943 590.2616510963325 453.4198377500346 286.11406 C11H9Cl2N3O2 1 689.36 8317 10532 2M+NH4 660034 755.1879030000002 755.1861304445672 953.2745943793803 368.5770400000001 C20H36N2O2S 0 1148.18 +8318 4236 2M+NH4 306340 334.33762299999995 334.3375153909155 808.0713668716506 158.15189999999998 C7H10O4 1 490.95 +8321 4417 2M+NH4 554038 343.175783 343.17525550050595 679.9821851872542 162.57098000000002 C6H7ClO3 1 658.58 +8322 10608 2M+NH4 869517 762.8672629999999 762.8691812468423 361.262318918431 372.41671999999994 C16H28N4O6 1 582.88 +8326 7679 2M+NH4 398529 504.205683 504.2078919950254 480.1748154526388 243.08593000000002 C6H14INO 1 633.28 8340 12441 3M+NH4 358590 1024.2228429999998 1024.2223702187098 1045.209268244171 335.39633999999995 C21H21NO3 0 881.07 +8341 12442 3M+NH4 358590 1024.2228429999998 1024.2267798761018 1073.6585342309204 335.39633999999995 C21H21NO3 0 881.07 8346 6426 3M+NH4 590394 438.32440299999985 438.3229784679749 773.6661145199419 140.09685999999996 C5H4N2O3 1 534.63 +8350 7041 3M+NH4 310532 468.1849629999999 468.18309466891117 236.90424278673572 150.05038 CH2N4O5 1 499.11 8351 7042 3M+NH4 310532 468.1849629999999 468.18616736102814 441.33269138333037 150.05038 CH2N4O5 0 499.11 +8352 11533 3M+NH4 509688 877.2640630000003 877.2665137665664 1034.340031848751 286.4100800000001 C22H22 1 1101.68 +8353 10002 3M+NH4 666238 690.599383 690.5981451125688 959.4080558212343 224.18852 C6H8O7S 1 467.64 +8354 4590 3M+NH4 620894 351.3299229999999 351.3292429356851 897.8484094844819 111.09869999999998 C5H5NO2 1 243.7 8357 6582 3M+NH4 801 445.78246299999995 445.7820631176071 488.95511409015575 142.58288 C7H7ClO 1 734.64 +8359 12444 3M+NH4 16488 1024.4812030000003 1024.4819453464204 366.03090961714867 335.4824600000001 C23H29NO 0 738.83 +8360 11333 3M+NH4 205718 850.2538629999999 850.2502052477826 988.9563732109224 277.40668 C8H7NO2S4 1 776.57 8362 9152 3M+NH4 359808 606.8918229999999 606.8888725566879 481.24994901235664 196.286 C12H20O2 0 888.55 8363 9945 3M+NH4 665728 684.8147230000001 684.8118719154668 329.77488492961385 222.26030000000003 C11H10O3S 1 797.1 8367 9842 3M+NH4 681479 673.1299630000001 673.129714403334 969.8181106855258 218.36538000000002 C10H22O3Si 0 707.71 8368 9552 3M+NH4 298413 639.3344109999998 639.333346625627 577.0417418508961 207.10019599999995 C8H2F5N 1 887.22 8369 10721 3M+NH4 378006 775.230583 775.2320709054766 1289.418834986257 252.39892000000003 C14H28N4 0 722 8370 11003 3M+NH4 270702 807.9056829999997 807.9025843699658 368.4482765769439 263.29061999999993 C17H13NO2 1 1168.64 +8372 12149 3M+NH4 570345 973.2558429999997 973.2526594821148 1060.6081173747034 318.4073399999999 C19H26O4 0 670.56 +8373 11003 3M+NH4 672611 807.901063 807.9025843699658 368.4482765769439 263.28908 C14H17NO4 1 657.11 +8374 8585 3M+NH4 375994 562.1019526 562.1011416089912 890.0259320022877 181.3560432 C5H16FNOSi2 1 1041.95 8375 12042 3M+NH4 422255 953.5743430000001 953.5754633693125 697.8744448080627 311.84684000000004 C17H26ClNO2 0 1042.74 8378 10450 3M+NH4 561088 744.1673325999999 744.1689870740147 1072.4287890904534 242.04450319999998 C9H5BrFNO 1 762.12 8381 12068 3M+NH4 718231 958.0371429999998 958.0364142119303 519.7337771973206 313.3344399999999 C14H11N5O2S 1 657.63 +8382 11722 3M+NH4 286615 910.093843 910.0950424002692 552.561480301963 297.35334 C11H11N3O3S2 1 653.34 +8386 12009 3M+NH4 107033 949.2089829999999 949.2083922703882 1048.1910737953117 310.39171999999996 C22H18N2 1 752.66 8387 12250 3M+NH4 136228 991.2841029999998 991.2798198102975 1219.6930260856782 324.41675999999995 C20H24N2O2 0 653.09 +8390 12329 3M+NH4 22268 1003.1256430000001 1003.128395175064 505.74394689464975 328.36394 C21H16N2O2 0 749.09 +8393 11400 3M+NH4 719602 858.7342629999999 858.7335819832791 549.012108420149 280.23348 C12H12N2O6 0 719.46 +8394 11507 3M+NH4 254273 874.1909230000001 874.1923451034687 1024.5104203289354 285.38570000000004 C11H15N3O2S2 1 666.97 +8399 10945 3M+NH4 606103 802.1665126000001 802.1678502124473 973.2953759008142 261.37756320000005 C17H24FN 1 828.82 +8400 12500 3M+NH4 73390 1036.2436725999999 1036.2474008020486 998.8490313605549 339.4032832 C21H22FNO2 1 951.35 +8401 11550 3M+NH4 490257 879.4829229999998 879.4847819581676 554.6503660738119 287.14969999999994 C12H15BrO3 0 918.77 +8403 11837 3M+NH4 527940 924.2394729999999 924.2434200668656 1123.5341731246708 302.06854999999996 C9H7IN2O2 1 741.41 +8407 12513 3M+NH4 400884 1039.2724029999997 1039.2710114582767 1140.6276251923384 340.4128599999999 C21H24O4 1 970.11 8408 11329 3M+NH4 862911 849.8714229999998 849.8683241828414 228.57377251278672 277.27919999999995 C12H15N5O3 1 445.3 8409 12567 3M+NH4 691583 1048.164943 1048.1666109023963 969.3935013157794 343.37703999999997 C18H21N3O4 1 721.84 8412 11851 3M+NH4 647671 925.2675430000002 925.2698221657389 1009.7208087049767 302.4112400000001 C18H26N2O2 1 796.88 +8413 10056 3M+NH4 634619 697.0989430000001 697.1022469993933 912.889778787623 226.35504000000003 C14H26O2 1 974.9 8414 12052 3M+NH4 401337 955.5055030000001 955.5027370135858 686.9864833489751 312.49056 C16H24O2S2 1 970.22 +8415 9217 3M+NH4 35795 612.551923 612.5535436897369 1147.8066924589466 198.17270000000002 C9H10O5 0 678.14 8416 10770 3M+NH4 22612 781.0099629999997 781.0078328825268 240.95712315526822 254.32537999999994 C13H22N2O3 1 738.25 8417 11612 3M+NH4 221194 891.4202829999999 891.4172390799271 491.21256549435697 291.12881999999996 C15H8Cl2O2 0 1004.24 8418 11613 3M+NH4 221194 891.4202829999999 891.4208038816937 290.18008360198553 291.12881999999996 C15H8Cl2O2 0 1004.24 8419 12666 3M+NH4 662490 1064.5102630000004 1064.5072936042043 379.6786943328158 348.8254800000001 C21H17ClN2O 1 1212.1 8420 9433 3M+NH4 202797 630.1525726 630.1533051409622 302.7376010392993 204.03958319999998 C7H7BrFN 1 590.9 8422 11305 3M+NH4 134490 847.2945430000001 847.290349862144 1163.7685088530905 276.42024000000004 C14H16N2S2 1 746.77 +8423 11905 3M+NH4 440710 934.2892630000003 934.2900365846849 1084.3910062900716 305.4184800000001 C16H27N5O 0 866.26 8425 9548 3M+NH4 495953 639.0253126 639.0254111000569 520.7782441487395 206.9971632 C6H4BrFO2 0 704.71 +8426 9734 3M+NH4 323495 660.340663 660.3434151337199 544.6214681141994 214.10228 C9H12BrN 0 670.35 +8435 10436 3M+NH4 588670 741.5273518000001 741.5254568053574 1081.7490556631778 241.16450960000003 C8H10F3NO4 1 604.55 +8436 12727 3M+NH4 185384 1075.3243030000003 1075.3228113932032 1137.1248507351393 352.4301600000001 C20H24N4O2 0 667.06 +8439 12221 3M+NH4 83819 986.2646229999998 986.269001423122 1144.4947420752646 322.74359999999996 C15H15ClN2O4 1 703.54 8440 11722 3M+NH4 169514 910.0934230000003 910.0950424002692 552.561480301963 297.3532000000001 C20H15N3 1 1041.43 +8442 9889 3M+NH4 443770 678.8367429999998 678.8347411068967 327.9678535809884 220.26763999999994 C12H16N2O2 1 480.96 +8443 12068 3M+NH4 361746 958.0371429999998 958.0364142119303 519.7337771973206 313.3344399999999 C14H11N5O2S 1 732.75 +8446 11000 3M+NH4 45065 807.5783230000001 807.5791268336719 717.9305685477045 263.1815 C7H5NO8S 0 424.91 8447 12285 3M+NH4 48908 997.45102299999985 997.4524207677398 508.9406767099765 326.47239999999994 C22H30O2 0 1033.73 +8450 1400 M+NH4 647445 206.047943 206.0482235320208 287.617978331997 188.01412 C6H3Cl2N3 0 733.05 8452 2207 M+NH4 543120 248.127683 248.12789706503278 469.6966185757501 230.09385999999998 C9H9Cl2N3 1 536.43 8453 3298 M+NH4 685031 296.060403 296.0599297465601 309.178217865419 278.02658 C8H12Cl2O3V 0 831.42 +8457 5472 M+NH4 96094 393.28864299999987 393.28959168125044 877.8449910973775 375.2548199999999 C16H23BrO5 1 1042.64 +8463 2455 M+NH4 350694 260.095233 260.095054333929 364.7190991490403 242.06141 C4H11IN4 1 108.61 +8464 1627 M+NH4 493218 218.16224400000002 218.16231266187182 562.3678689195855 200.128421 C8H9O4P-- 1 626.45 +8465 5113 M+NH4 370426 376.2684621999998 376.26912957093896 476.3746478667319 358.23463919999983 C17H8F6O2 1 913.72 8466 3157 M+NH4 100703 289.184123 289.1839465016735 386.3960673245539 271.1503 C12H15BrO2 1 1066.69 +8467 2987 M+NH4 96084 283.125363 283.12520159185226 395.1749909086776 265.09154 C13H6Cl2O2 1 1045.84 +8470 5891 M+NH4 366120 414.173303 414.17474187551016 485.99706249670436 396.13948 C16H12Br2S 1 1159.19 8471 2718 M+NH4 622530 270.214143 270.21472079441287 720.0515804233746 252.18032 C10H8N2O6 1 44.76 +8473 2099 M+NH4 230852 242.248643 242.24775946504238 877.463464150815 224.21481999999997 C13H8N2O2 1 596.14 +8474 2187 M+NH4 275454 247.10768299999998 247.10791390754605 451.35318680847047 229.07385999999997 C8H9BrN2O 1 630.42 8475 4588 M+NH4 97481 351.25504299999994 351.2567941338304 798.2625412875738 333.22121999999996 C20H13Br 1 1098.8 +8476 1394 M+NH4 860429 205.144123 205.1436187786981 433.4552750704053 187.1103 C5H5N3O5 1 585.93 +8477 3621 M+NH4 583161 308.2803661999999 308.27942630053616 825.9409864954948 290.2465431999999 C14H11FN2O4 1 648.6 8478 3201 M+NH4 89055 291.21018399999997 291.21027712768995 940.4736660738066 273.176361 C10H14NNa2O3P 1 640.45 +8479 2558 M+NH4 303373 264.16684300000003 264.16749557783504 560.9235201078059 246.13302000000004 C11H13Cl2NO 1 885.08 8480 3974 M+NH4 673726 323.2538829999999 323.25522428542104 904.850301471711 305.22005999999993 C13H14Cl2O2S 1 1153.15 8481 3992 M+NH4 863538 324.18058300000007 324.18053388553994 476.3296019435131 306.1467600000001 C14H9Cl2N3O 1 793.77 +8482 3361 M+NH4 335034 299.0631925999999 299.06195169904265 767.2190497180928 281.02936959999994 C8H4BrF3N2O 0 731.47 8485 1949 M+NH4 728317 234.20711580000003 234.2062108447137 1194.5601204518919 216.1732928 C8H12F4O2 1 774.47 +8486 4607 M+NH4 349973 352.88814299999996 352.8876867157358 1278.591859436342 334.85432 C5H3Br3S 1 1026.95 8487 4686 M+NH4 709795 356.17423299999996 356.1753843833638 662.3819150166789 338.14041 C14H11IO2 1 1268.39 8488 2752 M+NH4 617576 272.11384300000003 272.11275084933305 259.12605021496586 254.08002000000002 C10H8BrNO2 1 670.55 8489 2251 M+NH4 359010 250.143563 250.14370060044374 456.94659658542287 232.10974 C9H11Cl2N3 1 560.83 8490 7499 M+NH4 224475 493.2313430000001 493.22991373259026 463.0710434860981 475.1975200000001 C16H23Cl4N5O3 1 613.42 8495 1531 M+NH4 595620 213.1481358 213.14867822324769 537.6359200133072 195.1143128 C7H5F4NO 1 682.18 +8497 3747 M+NH4 126374 313.32984299999987 313.32928069168133 982.9905934449182 295.2960199999999 C15H13N5O2 1 553.15 +8498 5055 M+NH4 111220 373.2941429999998 373.2944640024739 626.1930192132531 355.2603199999998 C12H13N5O8 1 410.62 +8500 3438 M+NH4 251412 301.2365525999999 301.23758649059675 780.4787181946767 283.20272959999994 C13H8F3NO3 1 791.68 +8501 3746 M+NH4 391512 313.3217029999999 313.3210960883018 915.8385112767371 295.2878799999999 C14H17NO6 1 760.46 +8504 2344 M+NH4 580566 254.24792939999998 254.24781484398915 849.1804377762122 236.21410639999996 C13H10F2O2 1 858.76 +8507 2799 M+NH4 110001 274.172783 274.1732805510308 571.8690484223741 256.13896 C11H14BrNO 1 758.81 +8508 1588 M+NH4 35795 216.20652300000003 216.2068768798867 183.7400046415038 198.17270000000002 C9H10O5 1 678.14 +8509 1593 M+NH4 365136 217.070583 217.07119727607926 239.97161310130133 199.03676 C8H4Cl2N2 1 820.17 +8511 11732 M+NH4 533995 910.7478459999998 910.7475055655864 1075.9847817953068 892.7140229999998 C36H51N2O18P3 0 631.14 +8512 2815 M+NH4 579476 275.1216062 275.12198875616076 274.9523939883923 257.0877832 C12H7Cl2FO 1 973.33 +8513 2577 M+NH4 114971 265.11966300000006 265.1186256528667 361.51044610217 247.08584000000005 C9H11BrO3 1 869.58 +8514 2901 M+NH4 262187 279.1580862 279.15918402004877 638.0115596939492 261.12426320000003 C6H4FN5O6 1 621.64 +8515 4853 M+NH4 59529 364.145473 364.1466459736679 178.49149708048026 346.11165 C4H5AuO4S 1 574.39 +8516 1457 M+NH4 698905 209.06688300000002 209.0669537613063 248.54136534185676 191.03306 C3H4Cl2O3S 0 762.38 +8519 6315 M+NH4 118697 432.28054859999975 432.2807179123782 403.39867078418126 414.24672559999976 C17H10F8O3 1 1262.75 +8520 3814 M+NH4 586826 316.2478925999999 316.2484075258055 632.4985992734071 298.2140695999999 C14H9F3O4 1 844.28 +8525 1309 M+NH4 261532 201.090424 201.09091362521076 564.5504200614296 183.056601 C3H6NO6P-- 1 77.72 +8528 9921 M+NH4 256312 682.8570630000003 682.8537764848331 699.3666084973488 664.8232400000003 C36H56O11 0 764.65 +8529 3468 M+NH4 230948 302.3056629999999 302.30507624823395 1024.4209631280255 284.27183999999994 C10H16N6O4-- 1 683.23 +8530 672 M+NH4 437704 165.164623 165.16393933275822 728.1461260467846 147.1308 C8H5NO2 1 690.78 8531 735 M+NH4 8237 169.035603 169.0356635746304 214.0965575699645 151.00178 C4H7BrO 0 726.51 8533 8154 M+NH4 218909 533.2368459999999 533.2387199242553 258.0836193914572 515.2030229999999 C12H16N5O12P3 0 596.76 8534 10570 M+NH4 646690 760.1117830000001 760.1086076088461 987.1858461133963 742.0779600000001 C42H79NO9 1 1332.94 8536 5192 M+NH4 641807 381.22663259999985 381.22665761354835 522.893915799353 363.19280959999986 C14H10BrF3OS 1 1295.91 +8538 2475 M+NH4 332812 261.08790300000004 261.0870647799037 343.97624394677104 243.05408000000003 C9H7BrO3 1 769.99 +8541 7015 M+NH4 853652 466.41072299999985 466.4090588137509 947.101064448525 448.37689999999986 C21H20O11 1 706.38 +8544 1412 M+NH4 241495 206.16206940000004 206.1621204754203 719.1687512143214 188.12824640000002 C8H6F2O3 1 724.02 8545 1878 M+NH4 590516 231.104983 231.1052609894628 346.10046829005313 213.07116 C9H9BrO 1 751.6 8547 4256 M+NH4 20821 335.22152299999993 335.22182424458606 575.0643458020763 317.18769999999995 C13H10Cl2O3S 1 1049.84 +8548 2783 M+NH4 537351 273.188023 273.1886023065745 419.32926049513816 255.15419999999997 C11H15BrN2 1 811.63 8549 2962 M+NH4 614276 282.115333 282.1163315881728 246.81936510758564 264.08151000000004 C7H6Cl2NaO3S+ 1 775.35 +8552 3358 M+NH4 505962 298.3119029999999 298.3104441053424 967.9839185320461 280.27807999999993 C16H12N2O3 1 936.51 +8554 5148 M+NH4 403579 378.26772299999993 378.26934823247035 813.996601026355 360.23389999999995 C19H15Cl2NO2 1 1127.04 8556 1394 M+NH4 550258 205.144463 205.1436187786981 433.4552750704053 187.11064 C6H16Cl2N2 1 126.27 8557 9640 2M+H+NH4 256022 648.8161924999998 648.815235499243 1284.4888340344164 639.2956429999998 C15H24N5O17P3 1 345.66 8558 9641 2M+H+NH4 256022 648.8161924999998 648.8174586672701 1253.918235062955 639.2956429999998 C15H24N5O17P3 1 345.66 8559 3483 2M+H+NH4 585529 303.1798695 303.17999939922083 561.0852325365171 293.65932 C13H8ClNO5 1 755.24 8564 8199 2M+H+NH4 863129 535.3793405 535.3783296911394 1094.7168286335132 525.858791 C16H14ClN5NaO6PS2 1 673.81 +8565 8200 2M+H+NH4 863129 535.3793405 535.3799874308263 1073.959926896393 525.858791 C16H14ClN5NaO6PS2 1 673.81 +8566 2510 2M+H+NH4 579449 262.1892527 262.1882630918191 632.4404607028409 252.6687032 C13H10ClFO2 1 934.16 +8572 2112 2M+H+NH4 688105 243.17096949999998 243.17037781604364 371.13189882475467 233.65042 C12H8ClNO2 1 795.86 +8573 2295 2M+H+NH4 11024 252.1331558999999 252.13397492221236 276.51653436980286 242.61260639999992 C9H5ClF2N4 1 817.62 8577 6159 2M+H+NH4 211718 426.1763894999999 426.17837013359 424.1277971816856 416.6558399999999 C18H11BrClN3O2 1 1371.91 8581 1378 2M+H+NH4 257346 204.13822949999997 204.13850684976487 893.3656779165391 194.61767999999998 C9H7ClN2O 0 633.09 +8582 9712 2M+H+NH4 672003 657.3690895000004 657.3660071983945 644.9506321898743 647.8485400000004 C47H41N3 1 1480.75 +8586 11783 2M+H+NH4 854286 916.4460295000005 916.4466302357972 781.4646350412665 906.9254800000004 C56H42O12 1 1597.72 +8587 11784 2M+H+NH4 854286 916.4460295000005 916.4503396414027 671.8521127337818 906.9254800000004 C56H42O12 1 1597.72 8588 10428 2M+H+NH4 549420 740.5207295000002 740.521210946438 1083.6308839086441 731.0001800000002 C43H42N2O3S3 1 952.78 +8589 3052 2M+H+NH4 584912 285.2076495 285.20625707703635 1114.1408790130145 275.6871 C14H10ClNO3 1 847.38 8591 4761 2M+H+NH4 283470 359.2613726999999 359.2617165817278 612.2490751866338 349.7408231999999 C17H13ClFNO4 1 1066.03 8592 3445 2M+H+NH4 654877 302.0521295000001 302.05174488013404 303.4112721248407 292.5315800000001 C18H32OSi 1 889.84 8593 8169 2M+H+NH4 276102 534.2417495000002 534.2398024016459 285.6833332222487 524.7212000000002 C28H40N6O2S 0 695.99 8594 8170 2M+H+NH4 276102 534.2417495000002 534.2414578745238 253.2235226024398 524.7212000000002 C28H40N6O2S 0 695.99 +8597 7517 2M+H+NH4 819365 494.2724894999999 494.2737464536881 805.5544660081171 484.7519399999999 C29H56O5 1 514.11 +8598 1571 2M+H+NH4 331948 215.16416949999996 215.16430349458497 608.76913195141594 205.64361999999997 C10H8ClN3 1 681.58 +8605 5653 2M+H+NH4 351947 402.1587495000001 402.15715430359455 513.8575529739651 392.6382000000001 C24H40O2S 1 864.54 +8608 8587 2M+H+NH4 294352 562.1874095000002 562.1869896321479 308.3578957776017 552.6668600000002 C25H44N8O6 1 604.72 +8612 3690 2M+H+NH4 583013 311.1689391 311.16859912006186 485.3251583614907 301.6483896 C13H7ClF3NO2 1 863.29 +8614 10195 2M+H+NH4 291146 716.1372895000004 716.138004120191 241.66291843164066 706.6167400000004 C28H20N8Na2O8S2 1 762.78 8615 8340 2M+H+NH4 228623 544.4719095000003 544.4706551971497 1203.386365609502 534.9513600000002 C27H34Cl3N5 1 630.36 +8616 10389 2M+H+NH4 856552 736.1581095000003 736.1572059381323 993.4766231030464 726.6375600000002 C34H34N2O16 0 358.44 +8617 5699 2M+H+NH4 674222 404.13478949999995 404.13622944619664 507.7029413516616 394.61423999999994 C20H26O2S3 0 1083.62 +8618 2379 2M+H+NH4 566460 256.1730295 256.1728154804565 793.2060054760631 246.65247999999997 C11H7ClN4O 1 714.72 +8625 3855 2M+H+NH4 586604 318.20945269999993 318.2097135776042 628.719180246612 308.6889031999999 C15H10ClFO4 1 916.73 +8626 3793 2M+H+NH4 342738 315.8029791 315.8043706606691 608.6182370229701 306.2824296 C16H13F3N2O 0 869.92 8627 1915 2M+H+NH4 255396 232.19138949999999 232.1910801426402 424.9968761043406 222.67084 C11H11ClN2O 1 946.71 +8629 1182 2M+H+NH4 643150 193.15864949999994 193.1589050621185 488.20875239169135 183.63809999999995 C8H10ClN3 1 120.68 +8630 7243 2M+H+NH4 19977 479.1781094999999 479.17780686373135 936.305985860767 469.6575599999999 C32H39NO2 1 947.73 8631 4634 2M+H+NH4 598508 354.0994095000004 354.1008255312362 521.287030366839 344.57886000000036 C19H44N4O 1 423.52 +8632 3911 2M+H+NH4 363033 320.31634949999994 320.3157055505727 925.6362957194972 310.79579999999993 C15H15ClO3S 1 869.46 8633 6885 3M+H+NH4 572860 458.42073389999996 458.41946087021336 930.7882962988118 299.2667896 C10H12F3NO4S 1 990 +8635 12426 3M+H+NH4 860556 1021.1374725000005 1021.1327774615447 487.5552478496024 674.4112820000004 C20H24N10O13P2 0 627.62 +8636 5182 3M+H+NH4 535672 380.3532543 380.3517745237016 895.7005956174999 247.2218032 C13H10FNO3 1 745.95 +8640 7969 3M+H+NH4 514892 520.3325894999999 520.3333217316178 428.7691034369485 340.54135999999994 C20H29KO2 0 1117.49 8642 4558 3M+H+NH4 436149 350.23174950000003 350.2327027486733 626.4417048401548 227.1408 C11H15Br 1 1052.78 +8643 7695 3M+H+NH4 310078 505.11772949999994 505.11916619639146 590.4459193078347 330.39811999999995 C18H18O4S 1 912.97 +8644 6249 3M+H+NH4 55802 430.1314395000001 430.1335140554469 368.0821751510242 280.40726000000006 C19H24N2 1 664.13 +8645 7381 3M+H+NH4 287492 486.86545949999993 486.86651309450275 1171.010541928374 318.22993999999994 C12H16BrNO2S 0 968.43 +8646 6550 3M+H+NH4 47457 444.22288949999995 444.2225703323556 544.2930644741886 289.80155999999994 C13H24ClN3O2 1 799.71 +8652 10258 3M+H+NH4 54868 722.5021694999996 722.5038834834263 864.9320630246261 475.3210799999997 C30H12Cl2O2 1 1019.62 +8657 9404 3M+H+NH4 131148 628.3030395 628.3042550235971 376.60743742664494 412.52165999999994 C31H24O 0 988.56 8658 9491 3M+H+NH4 322532 634.2814694999998 634.2809044221667 165.28868321314582 416.50727999999987 C24H32O6 0 901.33 +8659 12779 3M+H+NH4 645815 1084.5446295000006 1084.546607424123 834.6280596980463 716.6827200000004 C28H48N2O19 0 444.05 +8664 4076 3M+H+NH4 346499 328.01818949999995 328.019397048054 525.475673948142 212.33175999999995 C12H24N2O 1 479.36 +8665 9691 3M+H+NH4 379500 654.8033270999997 654.8020084149505 286.6517120335709 430.1885183999998 C6H2F12O4S2 0 620.54 +8666 4718 3M+H+NH4 222866 357.22840950000005 357.229927699203 452.6857793198114 231.80524000000003 C13H26ClN 1 678.64 +8667 3896 3M+H+NH4 298413 320.17084349999993 320.1694379541243 324.77911877949543 207.10019599999995 C8H2F5N 1 887.22 +8677 7657 3M+H+NH4 86461 502.22572950000006 502.22805585411965 537.6639099237318 328.47012 C16H28N2O3S 0 635.8 8678 9837 3M+H+NH4 624048 672.4412294999998 672.4435882105292 419.89181903798266 441.94711999999987 C25H28ClNO4 0 1412.9 +8679 5873 3M+H+NH4 381968 413.2221795 413.22089068414556 414.3837916487777 269.13442 C12H13BrO2 1 878.54 +8680 8247 3M+H+NH4 44743 538.2254294999999 538.2272078730607 523.568681439278 352.46991999999995 C22H28N2O2 0 1342.51 +8684 2685 3M+H+NH4 45751 269.19019950000006 269.1900943252039 616.7984602231147 173.11310000000003 C4H10Cl2OSi 1 909.09 +8685 8892 3M+H+NH4 47514 583.4010495000002 583.3982583648253 1045.839120464831 382.5870000000001 C18H30N4OS2 0 1035.29 +8687 6113 3M+H+NH4 417402 424.1411295000002 424.1420533602368 526.1460734917005 276.4137200000001 C18H28O2 0 1309.01 +8692 6212 3M+H+NH4 487758 428.2120994999999 428.2126606372281 320.0057953517391 279.12769999999995 C10H15BrO4 1 970.86 +8693 7552 3M+H+NH4 136228 496.14568949999995 496.14440032632615 424.15762805694914 324.41675999999995 C20H24N2O2 0 653.09 +8694 6609 3M+H+NH4 120983 447.05524949999995 447.0541004285692 768.0990393638942 291.68979999999993 C13H10ClN3O3 1 839.86 8695 6052 3M+H+NH4 626679 421.1868495000001 421.18848563476115 412.2192496241828 274.4442000000001 C18H30N2 1 323.5 +8696 4076 3M+H+NH4 83741 328.01818950000006 328.019397048054 525.475673948142 212.33176000000003 C12H24N2O 1 555.68 +8703 3363 3M+H+NH4 588708 299.07823950000005 299.07878195811793 760.4758787504027 193.03846000000001 C6H9BrO2 1 699.02 +8720 8138 3M+H+NH4 515969 532.2342945 532.2355720849945 328.18087785210173 348.47583000000003 C18H29NaO3S 0 1185.24 +8721 8330 3M+H+NH4 395142 544.1511495000002 544.1485855213383 926.0316437738248 356.42040000000014 C22H20N4O 1 913.07 +8722 6591 3M+H+NH4 221194 446.2137795 446.2130610618595 298.1920463373655 291.12881999999996 C15H8Cl2O2 1 1004.24 8723 6592 3M+H+NH4 221194 446.2137795 446.21432402257176 290.0853821866383 291.12881999999996 C15H8Cl2O2 1 1004.24 8726 5170 3M+H+NH4 114971 380.1493095000001 380.14991366336335 698.0089153848897 247.08584000000005 C9H11BrO3 1 869.58 +8727 5636 3M+H+NH4 262187 401.20694430000003 401.20541796932366 370.7450431909551 261.12426320000003 C6H4FN5O6 0 621.64 +8728 5637 3M+H+NH4 262187 401.20694430000003 401.20649457416147 584.9916741135213 261.12426320000003 C6H4FN5O6 1 621.64 +8729 2618 3M+H+NH4 738588 266.24653950000004 266.247710830689 749.341808832427 171.15066000000002 C7H9NO4 1 532.01 +8739 6218 3M+H+NH4 198477 428.26231949999993 428.2602345271283 574.9548249928486 279.16117999999994 C15H12Cl2O 1 1263.69 8740 6219 3M+H+NH4 198477 428.26231949999993 428.26380000181086 597.561305922131 279.16117999999994 C15H12Cl2O 1 1263.69 8741 3549 3M+H+NH4 56287 305.3024595 305.3030241053062 748.3902861388195 197.18794 C9H11NO4 1 519.44 +8743 7031 3M+H+NH4 135625 467.2635495000002 467.26319515155933 499.67517657822145 305.1620000000001 C14H10Cl2N4 0 983.14 8744 5415 3M+H+NH4 693341 391.22986950000006 391.2316791617279 339.28814826344995 254.47288000000003 C12H22O2Si2 1 839.3 8745 10392 3M+H+NH4 870209 736.3426695000003 736.3394997323313 291.23140295960786 484.54808000000014 C24H32N6O5 0 653.73 +8748 3253 3M+H+NH4 419225 293.3363595 293.33497911630104 780.3483609788509 189.21054 C11H11NO2 1 627.04 +8749 6016 3M+H+NH4 510084 419.2184282999999 419.21658175991683 585.7785493488288 273.1319191999999 C9H5F6NO2 1 862.32 8750 6564 3M+H+NH4 734371 445.1213594999999 445.11972502510525 881.9698609920766 290.4005399999999 C17H26N2O2 0 585.67 +8751 3388 3M+H+NH4 521077 300.0918495 300.09254326938844 298.1930304652488 193.7142 C9H20ClNO 1 628.38 +8752 8631 3M+H+NH4 118815 565.1837594999998 565.184563574948 224.75878283915546 370.4421399999999 C21H26N2O4 1 763.11 +8753 6409 3M+H+NH4 621759 437.2369995000001 437.2351808902497 514.530665148758 285.14430000000004 C9H10Cl2O4S 1 864.54 8754 6410 3M+H+NH4 621759 437.2369995000001 437.2376401676642 632.3137810393494 285.14430000000004 C9H10Cl2O4S 1 864.54 +8756 5067 3M+H+NH4 338760 374.1662595 374.16533615580727 567.7356587439958 243.09714000000002 C10H11BrO2 0 813.82 8757 4385 3M+H+NH4 365867 341.2798695 341.2797630359338 402.6103066133757 221.17288 C8H7N5O3 1 585.3 +8758 6249 3M+H+NH4 178260 430.1314395000003 430.1335140554469 368.0821751510242 280.4072600000002 C19H24N2 1 493.7 +8759 8226 3M+H+NH4 609966 536.7757395000001 536.7740694671445 368.3519033445127 351.50346 C19H29NO3S 0 1097.47 8762 3580 M+H+NH4 136481 306.8945795000001 306.8944053816367 1150.2031680097894 594.7480600000001 C29H34N6O4S2 0 764.89 +8763 1131 M+H+NH4 169178 190.14293 190.14372466527124 338.50113537617705 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +8764 321 M+H+NH4 579933 141.12786429999997 141.12751845941506 508.4331448241875 263.21462959999997 C14H8F3NO 1 871.37 +8765 61 M+H+NH4 556749 119.04601109999999 119.04642908844019 713.7018796830264 219.05092319999997 C8H8BrFO 0 949.24 +8770 1203 M+H+NH4 716639 195.08873950000003 195.08793144259877 415.6865977254493 371.1363800000001 C17H32OSn 1 576.09 +8775 320 M+H+NH4 46438 141.11348 141.11367601613 1085.2279996330697 263.18586100000005 C12H10NO4P 1 711.44 +8776 829 M+H+NH4 128096 174.09462949999997 174.09495173189714 314.2640909087468 329.14815999999996 C15H9BrN2O2 0 809.41 +8777 1210 M+H+NH4 992 195.29111949999995 195.2913426850316 245.01997265316857 371.5411399999999 C15H21N3O2S3 0 655.36 +8778 7 M+H+NH4 95846 111.11757949999999 111.11707209942239 999.9674214449866 203.19405999999998 C11H9NO3 1 652.51 +8780 1480 M+H+NH4 737260 210.15740949999994 210.1571834479091 487.61935395538524 401.2737199999999 C19H13BrO3S 1 1064.94 +8781 853 M+H+NH4 446587 175.15166589999993 175.15242292389092 240.40184867069186 331.2622327999999 C15H13F4NO3 1 933.11 8782 349 M+H+NH4 720010 143.11863 143.11809225554134 801.7409758555013 267.196161 C7H10NO6PS 1 264.69 +8786 1227 M+H+NH4 518752 196.16905949999992 196.16975099046698 791.4462868857229 373.29701999999986 C16H13N4O7+ 1 624.86 +8788 123 M+H+NH4 10453 124.12098950000001 124.12048333707376 526.8077522919968 229.20088 C6H7CaNO6 0 113.71 +8789 302 M+H+NH4 262187 140.0826811 140.082061855092 202.19220788060352 261.12426320000003 C6H4FN5O6 1 621.64 +8790 479 M+H+NH4 36412 152.1260695 152.12662959808296 249.03957036102344 285.21104 C3HCl7 1 1036.07 +8795 189 M+H+NH4 338760 131.0691195 131.0685673865866 403.137097438404 243.09714000000002 C10H11BrO2 1 813.82 +8796 506 M+H+NH4 40326 154.13135000000003 154.1309949502275 530.6738524680616 289.2216010000001 C11H16NO6P 1 808.82 8804 2014 2M+Na 378857 238.153018 238.1521283377078 646.4305704051349 107.5819 C4H10ClN 1 343.49 8805 8455 2M+Na 379829 553.2310243999999 553.2286571952426 658.5059056543254 265.12090319999993 C13H10BrF 1 1178.15 +8806 7305 2M+Na 121375 482.30957800000004 482.3108198590855 567.0046850111671 229.66018000000003 C10H12ClNO3 0 712.11 +8807 5531 2M+Na 417333 395.405938 395.40698197432664 1029.0075117342958 186.20836 C8H14N2O3 1 112.83 +8810 4164 2M+Na 379931 331.229498 331.2304011090507 497.78356833397595 154.12014 C7H6O4 1 497.65 +8812 11558 2M+Na 818255 880.2804580000001 880.2798179023572 1086.7023981692073 428.64562 C25H48O5 0 1148.76 +8813 9628 2M+Na 269339 647.4568579999999 647.4579274256301 1189.4455111758161 312.2338199999999 C15H8N2O6 1 696.63 +8814 9670 2M+Na 480827 652.1346580000006 652.134509298998 960.0014663850249 314.5727200000003 C18H38N2S 0 467.46 8815 10999 2M+Na 297810 807.5629779999999 807.5668404757588 1095.8441603163974 392.28687999999994 C19H22BrNO3 0 558.99 8816 1203 2M+Na 671896 195.08817799999997 195.08793144259877 415.6865977254493 86.04947999999999 C2H2N2O2 1 320.23 8817 2158 2M+Na 620894 245.18661799999995 245.1858890236954 342.45679852214056 111.09869999999998 C5H5NO2 1 243.7 8825 5877 2M+Na 120162 413.253818 413.25470780760475 454.7462084978922 195.13230000000001 C7H5N3O4 1 642.33 8826 1209 2M+Na 435010 195.174298 195.174492591801 512.2132234868059 86.09254 C3H6N2O 1 253.93 +8827 4805 2M+Na 383192 361.26537799999994 361.26619324620276 623.8906302625074 169.13807999999997 C6H7N3O3 1 555.17 +8828 7488 2M+Na 253829 492.4384179999999 492.44004676233044 1073.1689545075155 234.72459999999995 C13H15ClN2 1 611.28 +8829 9516 2M+Na 124325 635.788658 635.7883918015075 257.9055540533823 306.39972 C24H18 1 1049.69 8832 2234 2M+Na 615555 249.17201799999998 249.17114280880665 558.4394207686408 113.0914 C5H5O3- 1 581.44 8833 7749 2M+Na 11024 508.21443079999983 508.2166029976976 441.0721630391576 242.61260639999992 C9H5ClF2N4 1 817.62 8834 7466 2M+Na 382365 491.405418 491.4078683013758 1094.6786785175582 234.2081 C11H10N2O4 1 666.46 +8837 9729 2M+Na 570345 659.8038979999999 659.8040795910317 303.629438050725 318.4073399999999 C19H26O4 1 670.56 8839 11866 2M+Na 98026 927.2688979999999 927.2671940760775 1035.4207777536649 452.13983999999994 C18H16Br2N2O2 0 888 8840 11122 2M+Na 652087 824.8692580000002 824.8699676742791 331.74108258869563 400.94002000000006 C20H33ClN2O4 0 639.18 +8842 5895 2M+Na 409811 414.19409800000005 414.1953635936857 554.2488070322654 195.60244000000003 C9H6ClNO2 1 748.76 +8843 6804 2M+Na 728317 455.3358036 455.3359973343341 672.1587068264257 216.1732928 C8H12F4O2 1 774.47 +8848 5103 2M+Na 105336 376.14130439999997 376.1423730489674 528.751580601463 176.5760432 C6H6ClFN2O 1 745.82 +8851 9133 2M+Na 654608 605.275698 605.277057043518 286.18095807452437 291.14324 C13H11BrN2O 1 888.33 8852 8120 2M+Na 617576 531.149258 531.1480521160883 605.5675701031568 254.08002000000002 C10H8BrNO2 1 670.55 +8856 9285 2M+Na 386413 617.1326200000001 617.1320500294623 320.0898516828758 297.071701 C10H11Cl2O4P 1 887.36 +8857 7683 2M+Na 615700 504.26873800000004 504.26866212844317 408.3730059256901 240.63976000000002 C11H9ClO4 0 879.89 8861 8517 2M+Na 270448 556.4390980000001 556.4413310425708 917.5304072291152 266.72494 C16H11ClN2 0 934.97 +8862 8967 2M+Na 46338 589.288978 589.2867706506822 431.94350710372026 283.14988 C14H12Cl2O2 0 901.39 8863 7312 2M+Na 655460 482.362458 482.36199822896776 909.2799440120125 229.68662 C8H8ClN3OS 0 685.43 +8870 9046 2M+Na 490257 597.2886179999999 597.286083982788 657.7099650164524 287.14969999999994 C12H15BrO3 1 918.77 8875 6970 2M+Na 563586 464.1901907999999 464.1907991013237 534.8368061507033 220.60048639999997 C9H7ClF2O2 0 972.46 +8876 3759 2M+Na 509128 314.16945799999996 314.1707500882649 320.3158791890226 145.59011999999998 C5H8ClN3 1 181.45 +8877 8190 2M+Na 110001 535.267138 535.2669696702208 334.312241664168 256.13896 C11H14BrNO 0 758.81 8878 4804 2M+Na 126699 361.258778 361.2591310433705 757.364010846508 169.13478 C7H7NO4 1 661.04 +8881 6276 2M+Na 202797 431.06838439999996 431.0675638921429 906.9363410575816 204.03958319999998 C7H7BrFN 0 590.9 +8882 9737 2M+Na 222065 660.4924179999998 660.4891777233609 834.2900475923595 318.7515999999999 C17H15ClO4 1 1044.23 +8887 10098 2M+Na 663916 702.5374579999999 702.5403015030377 1131.76436257036 339.7741199999999 C15H18ClN3O4 0 725.7 8889 11286 2M+Na 119605 843.7362579999995 843.7371735324073 514.1699351764914 410.3735199999997 C22H18O8 0 1003.45 +8890 5563 2M+Na 345342 397.23315719999994 397.2343612094222 887.2977174203911 187.12196959999997 C7H4F3N3 1 736.81 +8891 5754 2M+Na 395178 407.1670436 407.1676208696006 518.2267624041489 192.0889128 C3F4O3S 0 761.21 +8896 7699 2M+Na 421819 505.2607 505.2608706642967 289.2717497263875 241.135741 C6H12NO7P 1 107.38 +8897 6761 2M+Na 513018 453.39873800000004 453.396909061703 915.2156992508295 215.20476000000002 C12H9NO3 1 503.93 8902 5616 2M+Na 483714 400.21541799999994 400.2162218472511 646.6502333421859 188.61309999999997 C10H5ClN2 1 756.15 8904 11040 2M+Na 674222 812.2176979999999 812.2215809919371 326.2470069557826 394.61423999999994 C20H26O2S3 0 1083.62 +8906 7706 2M+Na 588670 505.31823720000006 505.3157430405342 637.5476876877298 241.16450960000003 C8H10F3NO4 1 604.55 8908 4728 2M+Na 539655 358.173898 358.17270258708686 736.0767460920558 167.59234 C8H6ClNO 0 704.9 8909 5009 2M+Na 265791 371.29841799999997 371.2976581645639 798.7263880187643 174.1546 C6H10N2O4 1 123.26 +8910 7400 2M+Na 265761 487.3802579999999 487.3807195725835 1068.232280982431 232.19551999999996 C10H8N4O3 1 588.52 +8911 9512 2M+Na 704454 635.408538 635.407791863543 731.7206378835906 306.20966 C15H9Cl2NS 0 1280.76 8916 4164 2M+Na 426056 331.229498 331.2304011090507 497.78356833397595 154.12014 C7H6O4 1 612.15 8917 10368 2M+Na 868693 733.6820979999999 733.6788720450063 1273.7827397198416 355.3464399999999 C14H21N5O6 0 594.64 8919 7762 2M+Na 398529 509.16107800000003 509.1618953105441 481.8324801693942 243.08593000000002 C6H14INO 0 633.28 8920 9712 2M+Na 20821 657.364618 657.3660071983945 644.9506321898743 317.18769999999995 C13H10Cl2O3S 1 1049.84 +8921 9107 2M+Na 666036 602.3702179999998 602.3701143790487 657.3816093967044 289.6904999999999 C15H10ClO4- 0 923.11 +8922 7763 2M+Na 338760 509.18349800000004 509.18348067947414 440.92975863829054 243.09714000000002 C10H11BrO2 1 813.82 +8923 11136 2M+Na 107008 826.4116980000005 826.4107815040462 767.5815747586014 401.7112400000002 C28H51N 0 800.26 8926 5010 2M+Na 81566 371.3151571999999 371.315094381972 1095.6975825113987 174.16296959999994 C9H9F3 1 953.7 8927 7970 2M+Na 495127 520.3559380000002 520.35522795257 964.5632820601588 248.68336000000005 C9H9ClO4S 0 778.75 +8929 7466 2M+Na 594725 491.40541799999994 491.4078683013758 1094.6786785175582 234.20809999999997 C11H10N2O4 1 624.12 8933 7953 2M+Na 250069 519.3065972 519.3091189564567 674.723537484507 248.1586896 C9H7F3N2O3 1 746.14 +8934 5561 2M+Na 550258 397.210498 397.2120535916024 579.7129005008328 187.11064 C6H16Cl2N2 0 126.27 +8935 10704 2M+Na 229279 773.6481779999997 773.6501225776469 1172.0811896007992 375.3294799999998 C18H17NO8 1 651.45 +8936 11671 3M+Na 167739 900.2331979999998 900.232088007237 1034.7404588282388 292.4146599999999 C21H24O 1 1190.17 +8938 8562 3M+Na 736190 560.249858 560.2512458678707 578.3888111461795 179.08687999999998 C8H12Cl2 0 1026.63 +8939 12797 3M+Na 218463 1086.3270979999995 1086.3223747967038 1173.4181046427555 354.4459599999999 C18H14N2O2S2 1 1114.25 +8941 5521 3M+Na 372761 395.22568099999995 395.22662223298045 546.5852909126902 124.07882099999999 C2H9N2O2P 1 399.38 +8944 7729 3M+Na 633143 506.4567379999999 506.45622513987644 1107.1231396188741 161.15583999999998 C6H11NO4 1 78.47 8949 11904 3M+Na 132541 934.2099979999999 934.2059162159504 300.37233716582375 303.74026 C16H14ClNO3 1 825.42 +8950 7363 3M+Na 379931 485.34963799999997 485.34837920444727 714.9358199259347 154.12014 C7H6O4 1 497.65 8951 9297 3M+Na 511273 617.5271180000001 617.5251693738903 809.763259143147 198.1793 C7H10N4O3 1 491.95 +8952 11622 3M+Na 268082 894.0761780000001 894.0731682023977 292.2802267292328 290.36232 C18H18N4 1 512.57 8960 2954 3M+Na 435010 281.266838 281.26675751798297 854.5909284671676 86.09254 C3H6N2O 1 253.93 +8961 8944 3M+Na 195921 587.5373780000001 587.5385088725311 911.9478174113426 188.18272000000002 C10H8N2O2 1 493.61 +8962 12172 3M+Na 519709 977.4805951999996 977.4833714824883 697.278739295168 318.16379239999986 C10H10F7NaO2 0 781.72 +8963 11016 3M+Na 123163 809.6537179999999 809.6526177089261 1121.383023111729 262.22149999999993 C11H10N4O4 1 559.28 +8964 5453 3M+Na 447643 392.3174179999999 392.3159532612135 731.4152047926875 123.10939999999998 C6H5NO2 1 530.67 +8965 10657 3M+Na 569582 767.5347068000001 767.5331461549197 868.311951773319 248.18182960000001 C8H3F3N2O2S 1 770.03 8968 4560 3M+Na 208491 350.24757800000003 350.24685270276143 866.1879585419958 109.08612000000001 C4H3N3O 1 484.45 +8971 8272 3M+Na 536279 539.7430580000001 539.7417824562763 268.78929761091877 172.25128 C6H12N4S 1 91.03 +8972 8313 3M+Na 45751 542.3285180000001 542.3305953971918 728.4749432512823 173.11310000000003 C4H10Cl2OSi 1 909.09 +8973 8704 3M+Na 677621 569.7674780000001 569.7697957568056 228.36809199515662 182.25942 C11H18O2 1 739.77 8975 10175 3M+Na 296241 714.246638 714.2489993039051 1069.0603420046364 230.41913999999997 C12H26O2Si 0 1162.5 8978 6605 3M+Na 277048 446.3234179999999 446.3243876141805 469.07504418251165 141.11139999999997 C3H5N6O+ 1 625.9 +8979 4374 3M+Na 445333 341.169941 341.1706224464308 331.65906614176043 106.060241 C3H7O2P 1 302.82 +8980 11501 3M+Na 46338 872.4388580000001 872.4364965794523 726.3148695939431 283.14988 C14H12Cl2O2 1 901.39 +8983 10410 3M+Na 430885 738.2255180000003 738.2226645770378 1234.404516153022 238.4121000000001 C15H30N2 1 779.44 +8984 10411 3M+Na 430885 738.2255180000003 738.2253445544083 1248.1996320814708 238.4121000000001 C15H30N2 0 779.44 8986 9680 3M+Na 734824 653.8122979999999 653.8095002291368 301.48698039770966 210.27435999999994 C14H14N2 1 679.05 8987 12391 3M+Na 67043 1014.3276979999999 1014.3231273372553 1180.6496561740737 330.44615999999996 C12H14N2O3S3 1 943.01 +8989 11145 3M+Na 331676 827.910638 827.9143759504615 377.2831346494298 268.30713999999995 C17H16O3 0 978.77 8990 12701 3M+Na 540307 1071.3129979999999 1071.3119879563528 1137.1896522681873 349.44126 C20H29O5- 0 802.01 +8991 12702 3M+Na 540307 1071.3129979999999 1071.3163738107628 1136.2552682062412 349.44126 C20H29O5- 0 802.01 +8992 12321 3M+Na 306237 1002.1480579999997 1002.148524981438 676.3671785820791 326.3862799999999 C20H22O4 0 998.86 8996 11325 3M+Na 189636 849.2760980000002 849.2795849355393 216.4523723754001 275.42896 C18H29NO 1 665.56 +8997 12813 3M+Na 718181 1089.157058 1089.1575962192655 1037.7114059563066 355.38928000000004 C22H17N3O2 0 897.45 +8998 10859 3M+Na 110001 791.406098 791.4055878550486 401.991414406348 256.13896 C11H14BrNO 0 758.81 +9003 11361 3M+Na 134490 852.2499380000002 852.2498740763815 988.8134190114181 276.42024000000004 C14H16N2S2 0 746.77 9004 10448 3M+Na 715003 744.0048980000001 744.0055653979505 281.8108327829442 240.33856000000003 C14H24O3 0 779.44 +9006 11425 3M+Na 91412 862.2848779999997 862.286862109236 1110.5016564283408 279.7652199999999 C14H18ClN3O 1 358.53 +9007 7313 3M+Na 632831 482.4052579999999 482.40432235932604 997.0082458135316 153.13867999999997 C6H7N3O2 1 256.82 +9011 11785 3M+Na 20378 916.7083580000007 916.707279688833 1076.5307689894887 297.9063800000002 C18H32ClN 1 725.9 +9012 9663 3M+Na 222347 650.9726780000002 650.9695442823388 273.6958409264352 209.32782000000003 C13H23NO 1 829.62 +9013 7674 3M+Na 690585 503.820338 503.8207009611813 1270.8979627247024 160.27704 C8H16OS 1 799.66 +9017 12485 3M+Na 122870 1032.1523180000002 1032.154822900723 373.30093404494386 336.38770000000005 C19H20N4O2 0 613.7 9018 8704 3M+Na 720359 569.7674780000001 569.7697957568056 228.36809199515662 182.25942000000003 C11H18O2 1 1145.1 9019 12814 3M+Na 870172 1089.2172379999997 1089.220304481539 398.1636140191181 355.40933999999993 C15H21N3O5S 0 601.44 9021 11751 3M+Na 171789 912.4530380000004 912.4575616441086 831.8894109070591 296.48794000000015 C19H36O2 1 1141.05 +9022 11324 3M+Na 684503 849.2760980000004 849.2729376922408 1061.243454163008 275.42896000000013 C18H29NO 1 745.07 9026 8431 3M+Na 688828 551.515178 551.5127163572047 1145.3937238754115 176.17531999999997 C8H8N4O 1 324.3 9027 10090 3M+Na 415379 702.1934180000003 702.193094053791 1046.1793166872985 226.40140000000008 C14H30N2 0 938.74 +9030 10239 3M+Na 310705 720.3360980000001 720.3380853376282 289.3347627055483 232.44896000000003 C12H24S2 0 1016.35 +9033 10042 3M+Na 709046 695.638958 695.6374876211214 1064.3664487339383 224.21658 C9H12N4O3 1 558.88 9034 10806 3M+Na 446326 786.039398 786.0374880074157 271.3026517679516 254.35005999999998 C15H14N2S 0 829.87 +9035 10852 3M+Na 56268 790.863998 790.862129470586 275.18136602927177 255.95826 C5H4Br2S 1 951.97 9037 8273 3M+Na 371228 539.8524380000001 539.8545418943463 1251.5694519038348 172.28774 C9H16OS 0 652.34 9038 11585 3M+Na 220799 885.5118379999999 885.5074919612748 521.4188741236555 287.50753999999995 C13H21NS3 1 1375.09 9039 2942 3M+Na 299339 281.12775799999997 281.12818279139594 422.36194528409646 86.04617999999999 C3H2O3 1 537.37 +9041 6413 3M+Na 553390 437.3712379999999 437.3726275784944 824.6923742289976 138.12733999999998 C5H6N4O 1 328.21 +9042 3804 M+Na 227007 316.137218 316.13846347327427 472.9286778187076 293.148 C14H10Cl2N2O 1 989.46 +9046 628 M+Na 354598 163.03971799999997 163.039235353702 665.168212861766 140.05049999999997 C5O5 1 531.63 +9049 2321 M+Na 635904 253.190458 253.19105358715527 540.7382661196519 230.20124 C6H6N4O4S 1 653.47 +9051 5483 M+Na 212516 394.195658 394.1943242782254 620.5253687727436 371.20644 C13H11BrN2O4S 1 835.03 9052 5484 M+Na 212516 394.195658 394.1964204313557 449.0838843844151 371.20644 C13H11BrN2O4S 1 835.03 +9053 5485 M+Na 212516 394.195658 394.1974724567276 485.63561724783665 371.20644 C13H11BrN2O4S 1 835.03 +9057 5586 M+Na 96094 398.2440379999999 398.24451200512465 880.0875039315945 375.2548199999999 C16H23BrO5 1 1042.64 +9058 5587 M+Na 96094 398.2440379999999 398.24557514119556 888.1799060362002 375.2548199999999 C16H23BrO5 1 1042.64 9059 321 M+Na 299949 141.12821283799997 141.12751845941506 508.4331448241875 118.13899483799997 C5H11NO2 1 225.08 9062 1150 M+Na 251020 191.178998 191.17949506160525 664.3321074066803 168.18978 C9H12O3 1 700.59 +9063 2491 M+Na 314655 261.20713900000004 261.20612888330527 660.0402570515682 238.21792100000002 C9H19O5P 1 758.81 9064 1761 M+Na 102025 226.0890444 226.0896438089288 356.3919055154786 203.0998264 C7H3F2NO4 1 655.68 9065 1704 M+Na 493218 223.117639 223.11666062128282 394.6551568735724 200.128421 C8H9O4P-- 1 626.45 +9066 4256 M+Na 269339 335.2230379999999 335.22182424458606 575.0643458020763 312.2338199999999 C15H8N2O6 1 696.63 +9067 5324 M+Na 851783 387.2927579999999 387.2928466828977 668.9612940200735 364.3035399999999 C17H16O9 1 655.96 +9072 1644 M+Na 307448 219.149338 219.14942277118823 1270.3470600982441 196.16012 C8H8N2O4 1 523.5 +9073 7159 M+Na 518021 474.288808 474.29047661052056 448.06250739281217 451.29959 C23H18INO 1 1114.68 9077 1498 M+Na 195921 211.171938 211.17134920443777 596.3658325724092 188.18272000000002 C10H8N2O2 1 493.61 9078 2693 M+Na 52454 269.29413800000003 269.29498402680304 850.1472064538189 246.30492000000004 C14H18N2O2 1 733.95 +9082 3684 M+Na 196682 311.1324771999999 311.13103531219286 411.5935608323175 288.14325919999993 C10H6F6O3 1 844.76 +9084 2443 M+Na 203915 259.13390760000004 259.1330839354588 604.1913314769471 236.14468960000002 C9H7F3O4 1 818.01 9085 1608 M+Na 239668 217.196358 217.19527811877344 692.9425097154417 194.20714 C9H6O3S 1 723.85 +9086 2688 M+Na 584139 269.2229612 269.2222039404 338.7496209133787 246.23374319999996 C14H11FO3 1 719.12 9087 3743 M+Na 583161 313.2357611999999 313.2370155937335 655.3386216817407 290.2465431999999 C14H11FN2O4 1 648.6 9088 3231 M+Na 484803 292.329018 292.32919126992783 780.8736704094019 269.3398 C20H15N 1 1089.36 9089 1117 M+Na 849101 189.163118 189.16381861799405 608.0257615203632 166.1739 C9H10O3 1 680.8 +9090 295 M+Na 594091 139.147498 139.14810785131914 648.9665831901644 116.15828 C6H12O2 1 330.44 9091 7772 M+Na 662246 509.31597800000014 509.3145568797002 747.0927714690772 486.32676000000015 C22H34Br2N2 1 1272.12 +9092 2995 M+Na 274506 283.191538 283.1904828580269 601.7607329084906 260.20232 C12H8N2O5 1 462.94 9098 710 M+Na 31252 167.11783799999998 167.11798357732255 261.1558898904729 144.12861999999998 C5H8N2O3 1 608.9 +9099 2587 M+Na 504959 265.21601799999996 265.21585672824875 635.0259758980017 242.22679999999997 C14H10O4 1 772.22 +9100 1043 M+Na 196340 185.15290119999997 185.1537111451596 598.8743031481318 162.16368319999998 C9H7FN2 1 572.85 +9101 9830 M+Na 672003 670.8377580000005 670.8365957002811 364.74645071331486 647.8485400000004 C47H41N3 1 1480.75 +9106 2446 M+Na 508498 259.15303900000004 259.1541717903262 537.2251704609387 236.163821 C10H9N2O3P 1 476.37 +9107 5827 M+Na 514217 410.37520799999993 410.3737740033627 913.2114996080307 387.38598999999994 C16H18N3NaO5S 1 602.79 +9108 1220 M+Na 45751 196.10231800000003 196.10194465802124 322.7021775178781 173.11310000000003 C4H10Cl2OSi 1 909.09 +9109 7877 M+Na 226415 515.3656280000001 515.3663981159539 1086.476851637829 492.3764100000001 C20H21IN4OS 1 851.43 +9111 10921 M+Na 529203 798.8596180000001 798.8580530613103 257.6196576414246 775.8704 C38H45N7O9S 1 619.85 +9112 2154 M+Na 312022 245.15698759999995 245.15731614907358 300.33450861011215 222.16776959999996 C7H9F3N4O 1 693.93 +9113 3073 M+Na 408600 286.15597799999995 286.1548566324879 460.8753918341194 263.16675999999995 C8H4Cl2N2S2 1 1000.6 +9114 2410 M+Na 738158 257.266818 257.26680474356044 903.3543243337456 234.27759999999998 C10H10N4OS 1 627.31 9115 5569 M+Na 733058 397.33427800000004 397.3353087666703 832.710694284094 374.34506000000005 C19H29Cl2NO2 1 901.37 +9116 1414 M+Na 390010 206.198478 206.1984309152389 738.4784723449735 183.20926 C11H9N3 1 614.97 +9117 1818 M+Na 669589 228.17764119999998 228.17861647297093 338.16765971588035 205.1884232 C10H8FN3O 1 651.86 +9118 2784 M+Na 185823 273.20508759999996 273.20599360678943 660.2214895043148 250.21586959999993 C14H9F3O 1 953.98 +9119 1753 M+Na 34743 226.01797799999997 226.01703478178433 307.6852575852161 203.02875999999998 C6H4Cl2N4 1 692.61 +9120 5483 M+Na 183176 394.195658 394.1943242782254 620.5253687727436 371.20644 C13H11BrN2O4S 1 823.16 +9123 2688 M+Na 578960 269.2229612 269.2222039404 338.7496209133787 246.23374319999996 C14H11FO3 1 814.63 9124 4072 M+Na 533128 327.2871579999999 327.2885223943134 932.1895427205701 304.2979399999999 C15H16N2O5 1 643.14 +9128 1498 M+Na 487839 211.171938 211.17134920443777 596.3658325724092 188.18272000000002 C10H8N2O2 1 742.63 9129 6122 M+Na 737260 424.2629379999999 424.2628176302742 903.9417719627133 401.2737199999999 C19H13BrO3S 1 1064.94 9130 4479 M+Na 570079 346.185739 346.185791329022 418.923276596216 323.196521 C9H14N3O8P 1 195.8 9131 2664 M+Na 409741 268.263018 268.2632979752226 854.6279782018773 245.27379999999997 C14H15NO3 1 683.11 @@ -1680,16 +4710,31 @@ 9133 5073 M+Na 191329 374.2241779999999 374.2253962420797 479.4412024351473 351.2349599999999 C17H19BrO3 1 1084.79 9134 3699 M+Na 853388 311.306058 311.30546149617146 892.5228464972142 288.31684 C12H16O6S 1 740.11 9135 3492 M+Na 24096 303.3085979999999 303.30825899495153 784.4105632171087 280.3193799999999 C21H12O 1 1055.07 +9136 4426 M+Na 512949 343.284938 343.2841924454914 677.8178298871323 320.29572 C10H8O8S2 1 523.92 +9137 2723 M+Na 418018 270.27889799999997 270.27910343784094 922.5520317157317 247.28967999999998 C14H17NO3 1 685.73 +9138 3210 M+Na 588237 292.08387799999997 292.08381075019014 357.20437228481785 269.09466 C10H9BrN2O2 1 796.19 9144 2889 M+Na 45400 278.183378 278.18246885899805 661.7644460977897 255.19415999999998 C6H9N9O3 1 156.48 +9146 2846 M+Na 385589 276.16729799999996 276.16782515397495 989.6646444656474 253.17807999999997 C13H17Br 1 1225.49 +9147 1165 M+Na 126699 192.123998 192.12328803334805 350.8945150360352 169.13478 C7H7NO4 1 661.04 +9148 4507 M+Na 855601 347.31655799999993 347.31498552297774 917.4865609397782 324.32733999999994 C19H16O5 1 764.12 9150 3097 M+Na 435672 287.15017800000004 287.14896583985995 456.709984404163 264.16096000000005 C13H14BrN 1 784.59 +9151 3068 M+Na 314255 286.12235799999996 286.122051392242 307.45415730217985 263.13313999999997 C12H11BrN2 1 733.5 +9152 3335 M+Na 728122 297.2611779999999 297.2613755993732 801.673075661711 274.2719599999999 C14H14N2O4 1 806.53 9153 3077 M+Na 710329 286.192178 286.1918853506461 414.6733969999725 263.20296 C12H9NO6 1 732.56 +9157 3009 M+Na 262187 284.1134812 284.11274043545376 411.37306400589165 261.12426320000003 C6H4FN5O6 1 621.64 +9161 2979 M+Na 353780 283.030758 283.0302928016331 711.5954191147233 260.04154 C8H6BrNO4 1 719.76 9164 3698 M+Na 607062 311.29281799999995 311.2939581792357 887.3490023217139 288.30359999999996 C10H20N6O4 1 45.26 9165 1297 M+Na 542454 200.16424119999996 200.16457482526738 517.5355389173843 177.17502319999997 C10H8FNO 1 382.89 +9167 4318 M+Na 201607 338.2667379999999 338.26821672167034 725.1323262762153 315.2775199999999 C16H13NO6 1 766.24 +9169 6410 M+Na 118697 437.23594359999976 437.2376401676642 632.3137810393494 414.24672559999976 C17H10F8O3 1 1262.75 +9170 1559 M+Na 395178 215.0781308 215.07739609600122 215.79059465739442 192.0889128 C3F4O3S 1 761.21 9171 3143 M+Na 138184 289.111878 289.11062682364184 368.98500823415685 266.12266 C13H9Cl2NO 1 949.53 9172 1399 M+Na 261532 206.045819 206.04504866859764 282.4415305479204 183.056601 C3H6NO6P-- 1 77.72 9173 1335 M+Na 558536 202.12541799999997 202.126250450046 643.7240320442697 179.13619999999997 C6H5N5O2 1 270.14 9174 2491 M+Na 579790 261.20580119999994 261.20612888330527 660.0402570515682 238.21658319999995 C14H7FN2O 1 774.35 9175 5717 M+Na 65118 405.0836227999998 405.0820138027959 319.35197619133527 382.0944047999998 C8H4F14O 1 866.44 +9176 3383 M+Na 207268 299.27705799999995 299.2773480579938 815.5132146132555 276.28783999999996 C14H16N2O4 1 678.26 +9177 1750 M+Na 33110 225.196978 225.19619238008187 1019.2596478886063 202.20776 C8H14N2O4 1 132.28 9178 2116 M+Na 309924 243.21049799999997 243.21080711704906 736.7473812661184 220.22127999999998 C12H12O4 1 669.73 9179 2427 M+Na 421835 258.185378 258.1854135531877 735.5462991687191 235.19616000000002 C10H9N3O4 1 713.71 9191 2116 M+Na 608852 243.21049800000003 243.21080711704906 736.7473812661184 220.22128000000004 C12H12O4 1 709.04 @@ -1697,182 +4742,485 @@ 9194 8245 M+Na 218909 538.192241 538.1903445407279 431.80947728948854 515.2030229999999 C12H16N5O12P3 1 596.76 9195 2096 M+Na 220326 242.18597799999998 242.18585442797638 356.2912538229394 219.19675999999998 C10H9N3O3 1 632.07 9196 5645 M+Na 385846 401.251058 401.25287088671695 708.7225858548553 378.26184 C21H16BrNO 1 1031.83 +9199 2569 M+Na 610152 265.045878 265.0468798050639 329.7743176161849 242.05666000000002 C7H9Cl2NO4 1 845.42 +9203 4086 M+Na 135625 328.1512180000001 328.15044347815984 235.07751604892198 305.1620000000001 C14H10Cl2N4 1 983.14 +9204 1534 M+Na 244553 213.184518 213.18497052495945 573.132548336717 190.1953 C11H10O3 1 783.2 9205 5766 M+Na 272396 407.2511180000001 407.2514232307374 638.4425891856029 384.2619000000001 C19H15Cl2N5 1 738.11 +9206 3892 M+Na 586092 320.12261799999993 320.12360218022815 325.47879679617 297.13339999999994 C14H10Cl2O3 1 1041.24 +9207 2987 M+Na 289581 283.124999 283.12520159185226 395.1749909086776 260.135781 C6H13O9P 1 243.93 +9208 4144 M+Na 493143 330.3356979999999 330.3362778997565 1012.5091908595028 307.34647999999993 C18H17N3O2 1 671.59 +9212 2784 M+Na 488862 273.20684759999995 273.20599360678943 660.2214895043148 250.21762959999995 C10H13F3N2O2 1 862.56 9213 3403 M+Na 288452 300.20247800000004 300.20177297883697 316.9645024938119 277.21326000000005 C11H14Cl2N2S 1 975.26 9217 4350 M+Na 20821 340.17691799999994 340.1752782152968 334.2288951247011 317.18769999999995 C13H10Cl2O3S 1 1049.84 9218 2883 M+Na 537351 278.143418 278.1421305183522 415.0946464128524 255.15419999999997 C11H15BrN2 1 811.63 +9219 3610 M+Na 621759 308.13351800000004 308.1335371241511 372.26307956731875 285.14430000000004 C9H10Cl2O4S 1 864.54 +9221 1150 M+Na 385619 191.178998 191.17949506160525 664.3321074066803 168.18978 C9H12O3 1 673.31 +9224 4012 M+Na 23307 325.16557800000004 325.164053958318 603.695073719243 302.17636000000005 C12H9Cl2NO2S 1 987.92 9225 2131 M+Na 365867 244.162098 244.16250727455758 536.7919498052757 221.17288 C8H7N5O3 1 585.3 +9227 1570 M+Na 553532 215.142478 215.1430293035235 588.75717463461 192.15326000000002 C3H4N4O4S 1 565.91 +9231 2340 M+Na 724048 254.161778 254.1606464762732 245.11172404068472 231.17256 C11H19Br 1 1261.79 9235 1843 2M+H+Na 723512 229.19416700000005 229.19487346943342 677.1612645020398 217.19592000000006 C9H13O6- 1 710.23 +9237 3211 2M+H+Na 66531 292.102577 292.10178946174506 374.835845038891 280.10433 C12H9I 1 1014.33 +9238 1141 2M+H+Na 736190 191.08512699999997 191.08507335434177 379.32111108567625 179.08687999999998 C8H12Cl2 1 1026.63 9239 1142 2M+H+Na 736190 191.08512699999997 191.08578318680287 766.2510663583064 179.08687999999998 C8H12Cl2 1 1026.63 +9248 3809 2M+H+Na 699839 316.19296799999995 316.19407861437764 555.8138068300757 304.19472099999996 C13H9N2O5P 1 779.79 +9249 5710 2M+H+Na 297810 404.28512699999993 404.28345056442737 570.0437187703196 392.28687999999994 C19H22BrNO3 1 558.99 +9250 4829 2M+H+Na 126396 362.92748700000016 362.9258539683449 1077.8036103576042 350.92924000000016 C19H31ClN4 0 761.53 9251 6841 2M+H+Na 659900 457.22804699999995 457.22588127810786 422.039581744782 445.22979999999995 C10H20BrCl3Sn 0 819.34 9252 5817 2M+H+Na 59810 410.2403669999999 410.238827016279 670.8959459499024 398.2421199999999 C20H13Cl2N3O2 1 927.3 +9253 9282 2M+H+Na 589059 616.8125870000002 616.81535074003 715.6321817112455 604.8143400000002 C35H56O8 1 851.72 +9254 5771 2M+H+Na 366120 408.137727 408.13956121193286 252.80855443684092 396.13948 C16H12Br2S 1 1159.19 9256 4605 2M+H+Na 207499 352.3067701999999 352.305300782152 828.5339417444324 340.3085231999999 C17H13FN4O3 1 789.28 +9257 11544 2M+H+Na 599522 878.9810070000001 878.9845043487849 554.8149596234881 866.9827600000001 C40H54N10O10S 0 654.23 9259 2038 2M+H+Na 307506 240.072927 240.07242018963044 277.1001255041473 228.07468 C10H7Cl2NO 1 714.07 9260 4235 2M+H+Na 656563 334.30970699999983 334.3101058968509 951.656776964783 322.31145999999984 C19H14O5 1 927.64 +9261 4335 2M+H+Na 705447 339.2349469999999 339.235953993484 604.6927154918378 327.2366999999999 C14H15BrO2S 1 1216.11 +9262 2514 2M+H+Na 270225 262.25210699999997 262.253031531197 874.966816546295 250.25385999999997 C11H14N4O3 1 641.35 +9263 1276 2M+H+Na 860429 199.108547 199.10785861616213 254.4459675309711 187.1103 C5H5N3O5 0 585.93 9266 5222 2M+H+Na 716639 383.1346270000001 383.13479369734137 352.2833620505736 371.1363800000001 C17H32OSn 1 576.09 +9271 3849 2M+H+Na 863538 318.1450070000001 318.1445605661659 363.2159274111782 306.1467600000001 C14H9Cl2N3O 0 793.77 9272 84 2M+H+Na 208491 121.08436700000001 121.08425608983475 295.1403714512388 109.08612000000001 C4H3N3O 0 484.45 9273 7600 2M+H+Na 662246 498.32500700000014 498.32540962110585 695.9987404069236 486.32676000000015 C22H34Br2N2 1 1272.12 9274 2762 2M+H+Na 274506 272.200567 272.20091625486685 772.0831795252558 260.20232 C12H8N2O5 1 462.94 +9278 1817 2M+H+Na 728317 228.1715398 228.17053418684952 226.08038362489154 216.1732928 C8H12F4O2 0 774.47 9279 3444 2M+H+Na 571279 302.0312802 302.03250697279736 275.1055505796448 290.03303320000003 C8H4FIN2O 0 734.19 +9280 4881 2M+H+Na 106523 365.1999669999999 365.2000645484983 567.1941603356424 353.2017199999999 C12H18Cl2N4O4 1 726.51 +9283 8208 2M+H+Na 293868 536.0871469999998 536.0888362820123 872.1056685955967 524.0888999999999 C16H14I2O4 0 927.01 +9287 2038 2M+H+Na 560955 240.07292700000002 240.07242018963044 277.1001255041473 228.07468000000003 C10H7Cl2NO 1 888.77 +9288 1794 2M+H+Na 377075 227.184368 227.18339167843288 633.372632847969 215.18612100000001 C9H14NO3P 1 169.49 9296 4319 2M+H+Na 610530 338.34146699999985 338.34165722429464 1019.9979053568333 326.34321999999986 C19H18O5 1 845.23 +9299 2721 2M+H+Na 227626 270.2426901999999 270.24288393635123 751.3335704081153 258.2444431999999 C15H11FO3 1 928.94 +9300 4607 2M+H+Na 485407 352.88784700000014 352.8876867157358 1278.591859436342 340.88960000000014 C21H25ClN2 1 975.1 +9301 4464 2M+H+Na 678019 345.2483269999999 345.2466444144417 535.5003568059693 333.2500799999999 C16H22Cl2O3 1 1335.49 9303 3374 2M+H+Na 490257 299.14794699999993 299.1492137337234 523.2814604779858 287.14969999999994 C12H15BrO3 0 918.77 +9307 3704 2M+H+Na 726177 312.09067699999997 312.0893252954461 447.4239406993531 300.09243 C11H9IO2 1 992.5 +9308 2653 2M+H+Na 110001 268.137207 268.1369373413856 402.16738757831087 256.13896 C11H14BrNO 1 758.81 +9309 973 2M+H+Na 126699 181.133027 181.13358186310924 277.2548834074981 169.13478 C7H7NO4 0 661.04 +9310 4278 2M+H+Na 855601 336.3255869999999 336.3258808235123 914.4017510696293 324.32733999999994 C19H16O5 1 764.12 +9311 2843 2M+H+Na 435672 276.15920700000004 276.15920241460844 488.65486914335037 264.16096000000005 C13H14BrN 1 784.59 +9312 2818 2M+H+Na 314255 275.13138699999996 275.1313590296477 494.8014257430315 263.13313999999997 C12H11BrN2 1 733.5 +9313 2720 2M+H+Na 10767 270.229507 270.22961857233213 664.0693733790251 258.23126 C9H14N4O5 1 62.62 9315 2076 2M+H+Na 10453 241.199127 241.19913190821012 647.5963138847587 229.20088 C6H7CaNO6 1 113.71 +9319 4344 2M+H+Na 617525 340.1026269999999 340.10276459660935 314.39120754902126 328.10437999999994 C13H7Cl2NO5 1 888.05 +9321 1369 2M+H+Na 395178 204.0871598 204.08683284921597 489.16694227765555 192.0889128 C3F4O3S 1 761.21 +9326 3066 2M+H+Na 169244 286.110967 286.11061858028853 419.6157268385039 274.11272 C13H8BrNO 1 806.53 9327 1026 2M+H+Na 304907 184.141807 184.141468282604 534.4434241033906 172.14356 C8H4N4O 1 677.56 +9329 5030 2M+H+Na 497634 372.27284700000007 372.27355542862915 598.6511451783183 360.2746000000001 C22H20N2Ti-- 1 941.55 9330 5134 2M+H+Na 255447 377.2913869999998 377.2899066557363 603.9843838273839 365.2931399999998 C19H11NO7 1 701.36 +9331 3194 2M+H+Na 198477 291.15942699999994 291.15932521517044 589.9658627800021 279.16117999999994 C15H12Cl2O 1 1263.69 +9332 3195 2M+H+Na 198477 291.15942699999994 291.16082623833694 532.1204453095042 279.16117999999994 C15H12Cl2O 1 1263.69 +9335 4268 2M+H+Na 110608 336.200047 336.19951825779464 304.77708065527247 324.2018 C16H15Cl2NO2 1 948.33 +9339 3659 2M+H+Na 435103 310.074797 310.07418782826073 431.7338086655212 298.07655 C11H7IO2 1 859.67 +9343 3828 2M+H+Na 135625 317.1602470000001 317.15961073475506 496.6378732598925 305.1620000000001 C14H10Cl2N4 1 983.14 9344 3829 2M+H+Na 135625 317.1602470000001 317.161276123048 549.8964627941077 305.1620000000001 C14H10Cl2N4 1 983.14 +9345 2345 2M+H+Na 332812 255.05232700000002 255.05354277239516 695.1315222027443 243.05408000000003 C9H7BrO3 1 769.99 9346 5548 2M+H+Na 272396 396.2601470000001 396.2587525675736 616.7692828646195 384.2619000000001 C19H15Cl2N5 1 738.11 9347 3638 2M+H+Na 586092 309.13164699999993 309.1304516423255 454.12360298120836 297.13339999999994 C14H10Cl2O3 1 1041.24 +9348 5245 2M+H+Na 67505 384.15663699999993 384.15840004342044 274.61667441191037 372.15838999999994 C13H13IN2O3 1 640.46 +9353 6437 2M+H+Na 476289 439.19788700000015 439.1961386951141 549.2662513151345 427.19964000000016 C20H36O2Sn 1 604.67 +9354 2017 2M+H+Na 26536 238.179507 238.18010280803253 578.2088527647852 226.18126 C7H14O8 0 262.81 +9356 1065 2M+H+Na 389173 186.149547 186.14908952656518 401.0083259286615 174.15130000000002 C7H10O5 0 652.7 9357 1737 2M+H+Na 590516 225.06940699999998 225.07012306916943 319.6540350325099 213.07116 C9H9BrO 1 751.6 9358 828 2M+H+Na 205891 174.09188019999996 174.0915679671381 568.5736785913612 162.09363319999997 C7H4FNaO2 1 656.43 9359 6028 2M+H+Na 486590 420.16680699999995 420.16843584985486 550.4490926380764 408.16855999999996 C16H24Br2O2 1 1322.75 +9360 1691 2M+H+Na 243884 222.14871660000003 222.14889850666017 369.7091325760323 210.15046960000004 C8H9F3O3 1 693.38 9361 4730 2M+H+Na 106828 358.20556699999986 358.2072681195887 349.652390336072 346.20731999999987 C18H13Cl2NO2 1 1174.27 +9362 3166 2M+H+Na 302608 290.04209699999996 290.0410362055751 298.7956102047831 278.04384999999996 C8H7IO3 1 729.15 9363 3760 2M+H+Na 23307 314.17460700000004 314.17383200255296 455.2402369832595 302.17636000000005 C12H9Cl2NO2S 1 987.92 9364 1892 2M+H+Na 587608 231.20995019999998 231.21068567702108 756.9259751354788 219.2117032 C12H10FNO2 1 649.68 9369 4461 2M+H+Na 631574 345.2046070000001 345.2061912385385 578.7111850864453 333.20636000000013 C13H9BrN4S 1 733.14 9370 2462 2M+H+Na 250069 260.1569366 260.15765711363787 513.2791543857669 248.1586896 C9H7F3N2O3 1 746.14 9371 2112 2M+H+Na 724048 243.170807 243.17037781604364 371.13189882475467 231.17256 C11H19Br 1 1261.79 +9372 4440 2M+H+Na 287500 344.25476699999996 344.25453901986225 496.3607545919104 332.25651999999997 C13H18BrNO2S 1 992.95 9373 6759 2M+H+Na 428864 453.35718699999995 453.3567522555725 750.0747576070116 441.35893999999996 C14H21ClHgO 1 1034.05 9374 11685 3M+H+Na 136481 904.1203370000002 904.1192722893435 802.7446545840586 594.7480600000001 C29H34N6O4S2 0 764.89 +9376 8721 3M+H+Na 66102 570.4219669999998 570.4203640259536 907.4299619319804 372.28247999999985 C18H12O9 0 752.98 +9380 8209 3M+H+Na 674727 536.1375770000001 536.1354798145375 182.9451238337522 349.42622000000006 C21H23N3O2 1 1046.46 +9381 8237 3M+H+Na 645349 537.3413569999998 537.3419071567371 602.5115143407172 350.2287399999999 C12H16BrNO4S 1 872.96 +9382 8238 3M+H+Na 645349 537.3413569999998 537.3435849077423 705.1116416232588 350.2287399999999 C12H16BrNO4S 1 872.96 9384 9490 3M+H+Na 324515 634.1578957999998 634.1587401824895 316.9962126876939 414.7730991999999 C17H17ClF6N2O 0 789.82 9385 7426 3M+H+Na 682284 489.9623270000003 489.9609780535011 1011.2517722710389 318.6427200000002 C16H38O2Si2 1 1141.48 +9386 7427 3M+H+Na 682284 489.9623270000003 489.9624311875714 995.6165730334608 318.6427200000002 C16H38O2Si2 1 1141.48 +9391 2593 3M+H+Na 213434 265.92889699999995 265.9295016500012 1268.1340970782937 169.28709999999998 C9H15NS 1 786.7 +9392 7810 3M+H+Na 97481 511.83007699999996 511.82870286222044 692.7353714837318 333.22121999999996 C20H13Br 1 1098.8 9393 11662 3M+H+Na 229825 899.7421070000004 899.7393600408197 274.8591205527565 591.8292400000003 C23H36Cl5N5O2 1 508.87 +9396 4203 3M+H+Na 677125 333.20700139999997 333.2062920797834 604.5359428272982 214.1391696 C7H9F3O4 1 747.94 9397 7231 3M+H+Na 530103 478.22677699999997 478.2277132940175 483.46384159539934 310.81901999999997 C16H23ClN2O2 0 615.76 9398 4847 3M+H+Na 382365 363.31039699999997 363.3099140195949 879.2158195035239 234.2081 C11H10N2O4 1 666.46 9399 7103 3M+H+Na 863538 471.2183870000001 471.2186901784451 423.78834515780443 306.1467600000001 C14H9Cl2N3O 1 793.77 +9400 7104 3M+H+Na 863538 471.2183870000001 471.2200601401538 547.9907475424429 306.1467600000001 C14H9Cl2N3O 1 793.77 +9401 10003 3M+H+Na 50083 690.8073169999998 690.8076337286243 316.37141253403934 452.5393799999998 C27H32O6 1 1184.21 9402 10978 3M+H+Na 588015 806.2326470000002 806.23501066553 1215.8416017582683 529.4896000000001 C20H35NO15 1 570.91 9403 4607 3M+H+Na 67318 352.886027 352.8876867157358 1278.591859436342 227.25852 C14H13NO2 1 872.04 +9404 8401 3M+H+Na 612807 550.2191269999998 550.2167117515216 1046.3000895710643 358.81391999999994 C17H23ClO6 1 664.64 +9412 8693 3M+H+Na 235905 569.2428469999999 569.2430253319291 492.2515295816486 371.49639999999994 C20H25N3O2S 0 890.58 9413 7615 3M+H+Na 54693 499.3312370000002 499.3302487706175 867.3878714769908 324.88866000000013 C18H29ClN2O 1 692.73 +9414 9518 3M+H+Na 521375 635.9921870000001 635.9906547762653 966.0101587782324 415.99596 C25H34ClNO2 1 802.42 +9417 6319 3M+H+Na 719602 432.34846699999997 432.3470568284694 486.8328618957074 280.23348 C12H12N2O6 1 719.46 9418 776 3M+H+Na 445333 171.0886085 171.0878879281513 199.47155834235596 106.060241 C3H7O2P 0 302.82 +9419 9086 3M+H+Na 435863 600.667427 600.6675936693018 1233.0024721563968 392.44612 C20H28N2O6 0 763.35 +9420 5707 3M+H+Na 195261 404.263577 404.2627233421432 485.5645791964919 261.51022 C6H3Cl3O3S 1 860.51 +9421 5708 3M+H+Na 195261 404.263577 404.26381446909204 616.1924932832471 261.51022 C6H3Cl3O3S 1 860.51 +9423 7426 3M+H+Na 398241 489.96232700000024 489.9609780535011 1011.2517722710389 318.64272000000017 C16H38O2Si2 1 681.86 9424 7427 3M+H+Na 398241 489.96232700000024 489.9624311875714 995.6165730334608 318.64272000000017 C16H38O2Si2 1 681.86 +9429 8282 3M+H+Na 143106 540.272657 540.272213655795 551.8066279115093 352.18294000000003 C8H6ClHgN 1 313.89 9430 4575 3M+H+Na 42856 351.148601 351.1472732502989 366.59362249704793 226.100236 C8H3F5O2 1 958.44 9431 7714 3M+H+Na 22232 506.0957870000001 506.0939367014231 685.4761408650352 329.3983600000001 C20H19N5 0 371.23 +9435 7521 3M+H+Na 702223 494.31901700000003 494.3179802994142 626.2878568857584 321.54718 C10H7Cl3N4O2 1 811.6 +9436 5391 3M+H+Na 552590 390.2295757999999 390.23049340116773 650.8892729137659 252.15421919999994 C8H10F6O2 1 858.04 +9437 8121 3M+H+Na 59529 531.165722 531.1636582402043 301.17472255060517 346.11165 C4H5AuO4S 1 574.39 +9438 9927 3M+H+Na 25436 683.3844770000001 683.3832577855092 669.0440114945363 447.59082000000006 C23H33N3O4S 1 1129.03 9442 9485 3M+H+Na 118697 633.3683353999996 633.3665810113592 613.614133735163 414.24672559999976 C17H10F8O3 1 1262.75 +9446 6100 3M+H+Na 636794 423.1650169999999 423.1649930387299 499.6625712744165 274.11117999999993 C10H12BrNO3 1 821.41 +9447 2718 3M+H+Na 304907 270.213587 270.21472079441287 720.0515804233746 172.14356 C8H4N4O 1 677.56 +9448 8828 3M+H+Na 547721 578.3392370000003 578.3373077580306 567.5058108188784 377.56066000000015 C23H39NO3 1 1078.58 +9449 8447 3M+H+Na 497634 552.410147 552.4123721607223 1125.580230536288 360.2746000000001 C22H20N2Ti-- 1 941.55 9456 7133 3M+H+Na 672901 472.9010270000001 472.9005342497702 1023.7448358049447 307.2685200000001 C17H23Br 0 1200.78 +9457 6741 3M+H+Na 337919 453.1215185000001 453.1223844809281 875.4913554544623 294.08218100000005 C9H13BrNO3P 0 647.05 +9460 4903 3M+H+Na 855613 366.26236700000004 366.2637694867502 637.7129682748512 236.17608 C8H12O8 1 580.4 +9461 3266 3M+H+Na 241495 294.1906166 294.1904128832192 556.4675055511622 188.12824640000002 C8H6F2O3 1 724.02 +9462 6642 3M+H+Na 739189 448.1154469999998 448.11637939622807 240.12377118090984 290.7447999999999 C15H15ClN2O2 0 1016.59 +9465 883 3M+H+Na 9060 177.16420699999998 177.163933598763 501.2844949624206 110.11063999999999 C6H6O2 1 661.47 +9466 8379 3M+H+Na 530147 548.1730969999999 548.1753005191974 502.23506238853577 357.4498999999999 C17H15N3O2S2 0 1070.65 +9467 3405 3M+H+Na 553532 300.228137 300.228505808707 870.1010377905857 192.15326000000002 C3H4N4O4S 1 565.91 +9468 12477 3M+H+Na 690112 1030.4170069999998 1030.4127168266218 343.92481917584445 678.9458399999999 C36H66N6O6 1 609.75 +9469 4847 3M+H+Na 594725 363.31039699999997 363.3099140195949 879.2158195035239 234.20809999999997 C11H10N2O4 1 624.12 +9471 7228 3M+H+Na 363033 478.1919469999999 478.1926322950563 470.0733206395567 310.79579999999993 C15H15ClO3S 1 869.46 +9472 5255 3M+H+Na 250069 384.2362814 384.23727206186993 512.5121537464348 248.1586896 C9H7F3N2O3 1 746.14 +9475 411 M+H+Na 62660 148.083397 148.08375550525454 452.33852092509335 272.1703 C13H15Cl2NO 1 992.51 +9477 779 M+H+Na 287492 171.11321699999996 171.1125371265872 773.1187104229499 318.22993999999994 C12H16BrNO2S 1 968.43 9480 194 M+H+Na 314655 131.10720750000002 131.10683254417552 382.11364144182244 238.21792100000002 C9H19O5P 1 758.81 +9482 55 M+H+Na 863709 118.122717 118.12268207816828 714.1722906696413 212.24893999999998 C9H16N4O2 1 636.12 +9483 1448 M+H+Na 297810 208.14168699999996 208.14154377095653 441.61675164327727 392.28687999999994 C19H22BrNO3 1 558.99 +9484 1078 M+H+Na 645349 187.11261699999994 187.1118065313314 600.3839691838223 350.2287399999999 C12H16BrNO4S 1 872.96 9486 775 M+H+Na 519709 171.08014319999992 171.0805240818945 486.6644234986099 318.16379239999986 C10H10F7NaO2 0 781.72 9487 818 M+H+Na 656563 173.1539769999999 173.15385498941333 572.817952687518 322.31145999999984 C19H14O5 1 927.64 9489 732 M+H+Na 166759 168.1472475 168.14655465939757 590.4452719149913 312.298001 C15H21O5P 1 1070.6 +9490 2998 M+H+Na 442240 283.2259879999999 283.2265565239797 1257.655995361422 542.4554819999998 C30H24O6P2 1 1061.76 +9491 2999 M+H+Na 442240 283.2259879999999 283.22681034676344 685.1654810521427 542.4554819999998 C30H24O6P2 1 1061.76 9492 517 M+H+Na 564971 155.07075700000001 155.07044829370665 383.57605379854783 286.14502000000005 C10H8BrNO2S 1 1077.92 9493 2427 M+H+Na 226415 258.18645200000003 258.1854135531877 735.5462991687191 492.3764100000001 C20H21IN4OS 1 851.43 9494 2575 M+H+Na 17757 265.09637849999996 265.09697525587967 241.57410259355078 506.19626299999993 C10H17N6O12P3 0 168.43 9495 477 M+H+Na 719602 152.11498699999999 152.11521797641683 620.1077122039662 280.23348 C12H12N2O6 1 719.46 9499 306 M+H+Na 694100 140.11561750000004 140.11556943231912 466.8021427274064 256.2347410000001 C12H17O4P 1 715.42 +9508 2236 M+H+Na 501825 249.2053369999999 249.20598108798646 675.3471663333532 474.4141799999998 C23H22O11 1 735.33 +9509 581 M+H+Na 420421 159.14980699999995 159.14949249876514 203.33851365420944 294.3031199999999 C14H18N2O5 1 740.26 9511 2360 M+H+Na 194684 255.170942 255.17028237232472 357.542196295242 486.34539 C23H23IN2O2 1 890.96 9512 830 M+H+Na 110608 174.099147 174.09951206129514 511.4028405985219 324.2018 C16H15Cl2NO2 0 948.33 9513 2284 M+H+Na 851629 251.19968699999993 251.20058981473622 684.8593469591915 478.40287999999987 C22H22O12 1 653.45 9514 1281 M+H+Na 632220 199.16972699999994 199.16938791699963 896.3540118928911 374.3429599999999 C22H14O6 1 848.61 +9515 667 M+H+Na 704454 165.10307699999998 165.1024335402759 894.1946386291602 306.20966 C15H9Cl2NS 1 1280.76 +9516 668 M+H+Na 704454 165.10307699999998 165.10263741952093 218.07543239086817 306.20966 C15H9Cl2NS 1 1280.76 +9517 268 M+H+Na 488862 137.10706179999997 137.1075058259943 297.4914262391002 250.21762959999995 C10H13F3N2O2 1 862.56 9520 183 M+H+Na 855613 130.086287 130.08659587521672 807.4413256130211 236.17608 C8H12O8 1 580.4 +9523 636 M+H+Na 23307 163.08642700000001 163.086973245605 913.100229197991 302.17636000000005 C12H9Cl2NO2S 1 987.92 9524 1927 M+2H+Na 860556 233.1383506666668 233.13810084722422 496.69816065238524 674.4112820000004 C20H24N10O13P2 1 627.62 +9526 572 M+2H+Na 98026 159.04786999999996 159.04771220526766 220.23888516902966 452.13983999999994 C18H16Br2N2O2 1 888 +9527 748 M+2H+Na 648851 169.13350999999997 169.133668071641 238.48449221510575 482.3967599999999 C24H29Cl2NO5 1 884.46 +9528 1295 M+2H+Na 247082 200.13631666666672 200.1363473329746 487.1550108343977 575.4051800000001 C26H27BrN2O8 1 716.73 +9529 51 M+2H+Na 128096 118.05064333333331 118.05013233046806 1008.1811241474009 329.14815999999996 C15H9BrN2O2 0 809.41 +9530 875 M+2H+Na 17757 177.06667766666666 177.06602573216242 247.49272839761483 506.19626299999993 C10H17N6O12P3 1 168.43 +9535 252 M+2H+Na 81980 136.07656999999998 136.0759521125424 495.76028057029686 383.22594 C17H16Cl2N2O4 1 1043.06 +9537 175 M+2H+Na 211999 129.1274633333333 129.12757877145972 1042.540475820171 362.37861999999996 C21H18N2O4 0 921.1 9539 66 M+2H+Na 670640 119.08550666666667 119.08565525106692 487.1772993633947 332.25275000000005 C12H17IOSi 1 1449.15 9540 561 M+2H+Na 192993 158.09015666666667 158.0895512518952 355.9282643499071 449.2667 C18H15S3Sb 1 712.24 +9541 4035 M+CH3OH+H 227007 326.181486 326.1802440297723 480.4270996394778 293.148 C14H10Cl2N2O 1 989.46 +9542 2528 M+CH3OH+H 543120 263.127346 263.1277342160246 536.0937202548218 230.09385999999998 C9H9Cl2N3 1 536.43 +9545 2581 M+CH3OH+H 595776 265.14971560000004 265.1505568832249 529.2464712745505 232.11622960000003 C8H3F3N2O3 1 776.4 9551 1363 M+CH3OH+H 381567 203.178987 203.17968375657006 657.7322746418059 170.145501 C8H11O2P 1 652.04 +9552 3304 M+CH3OH+H 721112 296.150666 296.1493424851966 407.1885301471523 263.11718 C11H12Cl2O3 1 945.68 +9560 7757 M+CH3OH+H 54868 508.3545659999997 508.35653436735083 970.6579161227531 475.3210799999997 C30H12Cl2O2 1 1019.62 +9562 3312 M+CH3OH+H 579933 296.24811559999995 296.2493708832683 768.8197354020028 263.21462959999997 C14H8F3NO 1 871.37 9563 3230 M+CH3OH+H 555479 292.2842323999999 292.28442714286837 882.0281560140897 259.2507463999999 C15H11F2NO 1 993.06 +9564 2813 M+CH3OH+H 350694 275.094896 275.09422990140655 412.9926424441855 242.06141 C4H11IN4 1 108.61 9567 5569 M+CH3OH+H 851783 397.33702599999987 397.3353087666703 832.710694284094 364.3035399999999 C17H16O9 1 655.96 9568 7233 M+CH3OH+H 659900 478.26328599999994 478.2627979786245 525.4306955893557 445.22979999999995 C10H20BrCl3Sn 1 819.34 +9569 7234 M+CH3OH+H 659900 478.26328599999994 478.2642048379443 592.9503075177126 445.22979999999995 C10H20BrCl3Sn 1 819.34 +9574 6290 M+CH3OH+H 59810 431.27560599999987 431.27661064765994 771.9652446096835 398.2421199999999 C20H13Cl2N3O2 1 927.3 9576 6233 M+CH3OH+H 366120 429.172966 429.17386089530663 452.08213644106104 396.13948 C16H12Br2S 1 1159.19 9577 6234 M+CH3OH+H 366120 429.172966 429.17505761649153 489.36999514464225 396.13948 C16H12Br2S 1 1159.19 +9578 2499 M+CH3OH+H 275454 262.10734599999995 262.10776738242606 648.1802459037426 229.07385999999997 C8H9BrN2O 1 630.42 +9579 2048 M+CH3OH+H 298413 240.13368199999996 240.13445913012578 204.53831315993816 207.10019599999995 C8H2F5N 1 887.22 +9580 2194 M+CH3OH+H 677125 247.1726556 247.17355740474287 342.8395532604492 214.1391696 C7H9F3O4 1 747.94 9581 3909 M+CH3OH+H 584944 320.257846 320.2578242380667 701.6072078445669 287.22436 C14H9NO6 1 697.98 9582 4328 M+CH3OH+H 863538 339.18024600000007 339.17870583122567 573.7664315465046 306.1467600000001 C14H9Cl2N3O 1 793.77 9584 2236 M+CH3OH+H 728317 249.20677880000002 249.20598108798646 675.3471663333532 216.1732928 C8H12F4O2 1 774.47 9587 1411 M+CH3OH+H 45751 206.14658600000004 206.1467879226875 453.8137160456833 173.11310000000003 C4H10Cl2OSi 1 909.09 9588 3092 M+CH3OH+H 617576 287.11350600000003 287.11308579497324 381.93561329999073 254.08002000000002 C10H8BrNO2 1 670.55 +9589 6222 M+CH3OH+H 494519 428.3281283999998 428.3268391864876 728.497055971972 395.2946423999998 C16H8F7NOS 1 723.76 9592 1264 M+CH3OH+H 571542 198.18616600000001 198.1854923493127 861.2370251735308 165.15268 C6H7N5O 1 297.37 +9593 2580 M+CH3OH+H 359010 265.14322599999997 265.14331544309204 551.1932761702177 232.10974 C9H11Cl2N3 1 560.83 9595 1840 M+CH3OH+H 36371 229.15384600000004 229.15495722222653 210.03148617508995 196.12036000000003 C6H4N4O4 1 580.55 +9600 6356 M+CH3OH+H 737260 434.3072059999999 434.30554192570287 1002.1216360845663 401.2737199999999 C19H13BrO3S 1 1064.94 +9601 6357 M+CH3OH+H 737260 434.3072059999999 434.306752436965 1005.8669894256429 401.2737199999999 C19H13BrO3S 1 1064.94 +9603 3405 M+CH3OH+H 720010 300.229647 300.228505808707 870.1010377905857 267.196161 C7H10NO6PS 1 264.69 9604 7303 M+CH3OH+H 233503 482.27620599999995 482.2738686695017 718.4229889821904 449.24271999999996 C16H18Cl2N4O7 1 660.21 9605 3009 M+CH3OH+H 386955 284.111326 284.11274043545376 411.37306400589165 251.07784 C7H11BrN2O3 1 336.6 +9606 1932 M+CH3OH+H 559027 233.19397559999993 233.19434722206117 443.2187380609691 200.16048959999992 C9H7F3N2 1 770.37 +9607 11832 M+CH3OH+H 854363 923.9595660000006 923.9568939370704 741.5725338216777 890.9260800000005 C56H42O11 0 1620 +9618 3050 M+CH3OH+H 552590 285.1877051999999 285.18883767596486 412.70599499752666 252.15421919999994 C8H10F6O2 1 858.04 9620 1200 M+CH3OH+H 7199 195.05008600000002 195.05089709047328 239.54340993210423 162.0166 C6H5Cl2N 1 721.41 +9621 2915 M+CH3OH+H 114971 280.11932600000006 280.118032880836 612.2569361682051 247.08584000000005 C9H11BrO3 1 869.58 +9622 6127 M+CH3OH+H 331788 424.32602599999996 424.3261460109253 739.4488740244813 391.29254 C23H16Cl2N2 1 1009.34 +9623 4794 M+CH3OH+H 617525 361.1378659999999 361.1379280037103 362.949201587841 328.10437999999994 C13H7Cl2NO5 1 888.05 9624 4906 M+CH3OH+H 127920 366.374186 366.37282818961774 1005.270552271677 333.3407 C19H15N3O3 1 844.73 +9625 1660 M+CH3OH+H 345342 220.15545559999998 220.15451251384206 426.41332609004553 187.12196959999997 C7H4F3N3 1 736.81 9627 4530 M+CH3OH+H 201607 348.3110059999999 348.3106174563931 901.2429626240344 315.2775199999999 C16H13NO6 1 766.24 +9628 4165 M+CH3OH+H 586826 331.2475555999999 331.24792879931636 709.3342468286676 298.2140695999999 C14H9F3O4 1 844.28 9630 1745 M+CH3OH+H 395178 225.1223988 225.12351818300496 377.1985556463486 192.0889128 C3F4O3S 1 761.21 9631 2648 M+CH3OH+H 617403 268.10080600000003 268.1004951352379 502.8688990786677 235.06732000000002 C8H8Cl2N2O2 1 734.17 +9632 5118 M+CH3OH+H 213761 376.887266 376.8857235770932 1244.6500004878549 343.85378000000003 C18H22ClN5 1 905 +9633 2418 M+CH3OH+H 477073 258.117106 258.1161162498973 342.5333300735956 225.08361999999997 C6H13BrN2O2 1 161.93 +9635 5475 M+CH3OH+H 497634 393.30808600000006 393.30843644254605 824.2725914783691 360.2746000000001 C22H20N2Ti-- 1 941.55 9637 3844 M+CH3OH+H 230948 317.3053259999999 317.3045820188581 947.9514215323459 284.27183999999994 C10H16N6O4-- 1 683.23 9638 4906 M+CH3OH+H 229746 366.3729860000001 366.37282818961774 1005.270552271677 333.3395000000001 C17H30Cl2N2 1 677.44 9640 952 M+CH3OH+H 437704 180.164286 180.16498563787653 319.38218065827544 147.1308 C8H5NO2 1 690.78 9641 5421 M+CH3OH+H 257386 391.2529259999998 391.2514079779118 433.79501295531617 358.2194399999998 C14H6N4O8 1 638.97 9642 5422 M+CH3OH+H 257386 391.2529259999998 391.2524443189145 588.6586702009488 358.2194399999998 C14H6N4O8 1 638.97 +9644 2910 M+CH3OH+H 566460 279.68596599999995 279.68598884625754 317.32567577641487 246.65247999999997 C11H7ClN4O 0 714.72 9646 4278 M+CH3OH+H 237695 336.32674599999996 336.3258808235123 914.4017510696293 303.29326 C13H9N3O4S 1 734.49 9647 5844 M+CH3OH+H 385846 411.295326 411.29341315403934 725.1107621226415 378.26184 C21H16BrNO 1 1031.83 +9648 2806 M+CH3OH+H 50656 274.273986 274.2739015093211 1007.1776044519838 241.2405 C11H15NO5 1 661.18 +9649 4313 M+CH3OH+H 135625 338.1954860000001 338.19596762389006 470.751254405007 305.1620000000001 C14H10Cl2N4 1 983.14 9650 4133 M+CH3OH+H 586092 330.1668859999999 330.1662236335434 308.1773031833418 297.13339999999994 C14H10Cl2O3 1 1041.24 +9656 5722 M+CH3OH+H 67505 405.1918759999999 405.19034154528794 461.45738682753176 372.15838999999994 C13H13IN2O3 0 640.46 +9657 5723 M+CH3OH+H 67505 405.1918759999999 405.19362922601266 495.17692785929944 372.15838999999994 C13H13IN2O3 1 640.46 +9660 1433 M+CH3OH+H 389173 207.18478600000003 207.18574398820832 360.3714720424948 174.15130000000002 C7H10O5 1 652.7 +9672 7547 2M+K 201995 495.449718 495.44961342399534 1072.1283745699225 228.24328 C14H12O3 1 875.85 +9675 3865 2M+K 354598 319.06415799999996 319.0656104062102 208.30145409668512 140.05049999999997 C5O5 0 531.63 +9676 3377 2M+K 569773 299.185152224 299.18534932752306 520.989542634026 130.11099711199998 C4H3D4NaO3 1 293.51 +9677 8632 2M+K 721112 565.1975180000001 565.1987196306297 382.7247655332434 263.11718 C11H12Cl2O3 0 945.68 +9678 3376 2M+K 483891 299.167238 299.16793556941633 437.21171413176575 130.10204 C4H6N2O3 1 172.75 +9679 3872 2M+K 590394 319.15687799999995 319.15710805232095 467.0122434761701 140.09685999999996 C5H4N2O3 1 534.63 9681 5589 2M+K 483980 398.255358 398.25410866969537 565.3037693235789 179.6461 C10H10ClN 1 894.52 +9682 6634 2M+K 256975 447.3207980000001 447.3205847616788 685.2242144540576 204.17882000000003 C11H8O4 1 719.47 +9693 11225 2M+K 20256 836.9191580000002 836.9151815381632 447.5803890867512 398.97800000000007 C14H30Hg 0 848.92 +9694 6499 2M+K 328922 441.362718 441.36061930478996 827.8929881658235 201.19977999999998 C7H7NO4S 1 509.45 +9695 6025 2M+K 554242 420.1319180000001 420.1316867940973 312.59135008645666 190.58438000000004 C6H7ClN2O3 1 578.22 +9696 7399 2M+K 666238 487.34019800000004 487.3417408186278 665.9538039183924 224.18852 C6H8O7S 1 467.64 9697 2485 2M+K 620894 261.160558 261.16002847667113 399.20166671049583 111.09869999999998 C5H5NO2 1 243.7 +9699 5849 2M+K 35779 412.11064000000005 412.1106054077448 258.98785021126673 186.573741 C5H12ClO3P 0 711.87 9701 9262 2M+K 411488 615.5163600000003 615.5182219008431 1102.756914576732 288.27660100000014 C13H21O5P 1 723.39 +9704 6239 2M+K 120162 429.22775800000005 429.2275573154484 579.2571846949116 195.13230000000001 C7H5N3O4 1 642.33 +9705 8104 2M+K 499771 530.1766171999999 530.1769372634451 262.0001365970543 245.60672959999997 C6H3ClF3NO2S 0 787.99 +9706 10387 2M+K 668003 736.005118 736.0044501704806 281.6637969394982 348.52098 C25H32O 1 911.06 9707 11667 2M+K 296036 900.0868380000003 900.0907555360446 525.3524341092976 430.56184000000013 C26H26N2O2S 0 926.02 9712 7803 2M+K 203915 511.25253720000006 511.2511618660725 385.74069173278735 236.14468960000002 C9H7F3O4 1 818.01 9715 8179 2M+K 319194 534.403278 534.4055424086894 1031.2598265655408 247.72006 C14H14ClNO 1 830.25 9716 8567 2M+K 661315 560.308078 560.3064069679974 568.6595897037405 260.67246 C14H9ClO3 0 849.99 +9720 8084 2M+K 29382 528.315878 528.3160068805951 625.0521228370634 244.67636 C13H9ClN2O 1 944.67 +9721 11280 2M+K 511701 843.2457779999999 843.24408367499 1252.0239393099914 402.1413099999999 C13H11IN2O5 0 772.33 9722 11281 2M+K 511701 843.2457779999999 843.247353884642 1164.3986513091008 402.1413099999999 C13H11IN2O5 0 772.33 9728 6962 2M+K 340808 463.30553719999995 463.30505626946575 696.7042098778269 212.17118959999996 C10H7F3N2 1 686.63 +9731 11370 2M+K 70720 854.423878 854.4274990326915 691.8392981407235 407.73035999999996 C16H24BrClN2O3 1 677.65 +9732 10804 2M+K 868234 785.6799979999997 785.6827338823102 995.6825300810744 373.35841999999985 C15H23N3O8 0 566.1 +9733 4433 2M+K 40147 344.16175799999996 344.16027534384375 624.3732091165914 152.59929999999997 C4H5ClO2S 1 649 9734 4876 2M+K 556205 365.15769720000003 365.15815756024284 437.6798504310179 163.0972696 C6H4F3NO 1 702.35 +9735 7807 2M+K 508498 511.29080000000005 511.289947609008 673.1277292500749 236.163821 C10H9N2O3P 1 476.37 +9737 4065 2M+K 202055 327.2006508 327.1997358461578 487.09890564334785 144.1187464 C7H6F2O 1 783.6 9738 10568 2M+K 332958 759.6855579999999 759.6841586470547 269.276687381862 360.36119999999994 C18H20N2O6 1 708.9 9744 4424 2M+K 361759 343.25779800000004 343.25894077709927 633.1721138043118 152.14732 C8H8O3 1 671.77 9745 5488 2M+K 301374 394.223598 394.22163190585843 504.2158423563647 177.63021999999998 C10H8ClN 1 850.12 9746 5489 2M+K 301374 394.223598 394.2226785456955 629.5574901496766 177.63021999999998 C10H8ClN 1 850.12 +9748 4807 2M+K 367738 361.27791800000006 361.27756002999826 596.1675034807561 161.15738000000002 C9H7NO2 1 679.35 +9749 7041 2M+K 215975 468.18131800000003 468.18309466891117 236.90424278673572 214.60908 C7H7ClN4O2 1 648.57 +9750 9161 2M+K 274612 607.4039979999999 607.4048037070895 657.8793899585328 284.22041999999993 C15H8O6 1 784.78 +9751 8661 2M+K 575927 566.315958 566.3146891477815 568.9258781095143 263.6764 C13H10ClNO3 1 761.3 +9755 4358 2M+K 662919 340.255958 340.2561181426761 650.420749233692 150.6464 C7H15ClO 1 883.62 +9760 6472 2M+K 109088 440.28719800000005 440.28505932368734 727.7578420791997 200.66202 C10H13ClO2 0 778.34 9761 9071 2M+K 24096 599.6019179999998 599.6042249631382 233.82700124423957 280.3193799999999 C21H12O 1 1055.07 9762 9215 2M+K 297681 612.3861579999999 612.38473304726 559.8288841255064 286.71149999999994 C12H15ClN2O4 0 760 +9763 6414 2M+K 486365 437.380478 437.3812210512433 1022.1016294677561 199.20865999999998 C11H9N3O 1 650.64 9764 8429 2M+K 694100 551.4326400000002 551.4345157289447 958.5935672937314 256.2347410000001 C12H17O4P 1 715.42 +9768 10725 2M+K 644974 775.861958 775.8638834467962 360.6662852948973 368.44939999999997 C20H20N2O3S 1 716.38 9769 8015 2M+K 735418 523.187918 523.1896493735009 262.0857945353956 242.11237999999997 C10H12BrNO 0 687.1 9770 5130 2M+K 126699 377.23271800000003 377.2309434924752 698.2772244957799 169.13478 C7H7NO4 1 661.04 9771 6378 2M+K 35795 435.30855800000006 435.3092774157556 683.6377960409802 198.17270000000002 C9H10O5 1 678.14 +9776 7587 2M+K 10453 497.36491800000005 497.362672201341 1017.3858734482125 229.20088 C6H7CaNO6 1 113.71 9779 11387 2M+K 57909 856.1059580000001 856.1057081546835 932.4640547255408 408.57140000000004 C24H40O5 0 773.24 9780 9181 2M+K 36412 609.3852380000001 609.3881308099265 458.9228993420383 285.21104 C3HCl7 0 1036.07 9781 5196 2M+K 738588 381.26447800000005 381.2628314429828 681.7801150329483 171.15066000000002 C7H9NO4 1 532.01 +9783 9515 2M+K 661174 635.5432779999998 635.541068942495 916.2949968692853 298.29005999999987 C17H14O5 1 698.49 +9786 6098 2M+K 395178 423.1409836 423.13929540637497 357.6146940118114 192.0889128 C3F4O3S 0 761.21 +9787 10586 2M+K 526453 761.2211035999998 761.2208497093002 1097.3594897427681 361.1289727999999 C15H9BrF4O 1 1158.24 +9788 5563 2M+K 558536 397.23555799999997 397.2343612094222 887.2977174203911 179.13619999999997 C6H5N5O2 1 270.14 +9789 12228 2M+K 671742 987.253878 987.2506356668184 1077.5814087644126 474.14536 C20H14Br2N2O2 0 1113.37 9790 2872 2M+K 539006 277.20147799999995 277.2015300997648 872.4234001043764 119.11915999999998 C4H9NO3 1 65.6 +9791 5550 2M+K 317683 396.2761580000001 396.27462577920915 707.6502123829671 178.65650000000005 C8H15ClO2 1 956.34 +9793 4590 2M+K 536117 351.327918 351.3292429356851 897.8484094844819 156.18238 C7H12N2O2 1 641.55 9794 5235 2M+K 304907 383.25027800000004 383.25105450826186 811.3786260243455 172.14356 C8H4N4O 1 677.56 9795 9688 2M+K 127097 654.4210779999999 654.4199313290827 741.7361619222485 307.7289599999999 C15H14ClNO4 0 870.27 +9796 1604 2M+K 349793 217.15870767599998 217.15887139823784 610.6287542937413 89.09777483799999 C4H8O2 1 483.46 9800 9119 2M+K 728772 603.4552779999999 603.4567589654375 573.7365985559934 282.24605999999994 C13H14O7 0 729.78 9801 9046 2M+K 198477 597.2855179999999 597.286083982788 657.7099650164524 279.16117999999994 C15H12Cl2O 1 1263.69 +9803 5934 2M+K 483714 416.18935799999997 416.1911439912749 490.2857035618353 188.61309999999997 C10H5ClN2 1 756.15 9808 1362 2M+K 26131 203.16423799999998 203.1642732224213 597.3025285560702 82.10054 C5H6O 1 596.71 +9810 9427 2M+K 9587 629.7208380000001 629.7204909705256 385.5023356020627 295.37884 C18H21N3O 1 605.13 +9811 5470 2M+K 46834 393.283318 393.2822702153962 725.2692194916555 177.16008 C8H7N3O2 1 466.94 +9812 5471 2M+K 46834 393.283318 393.28331384129046 754.1401143303245 177.16008 C8H7N3O2 1 466.94 9813 6676 2M+K 245012 449.310118 449.3089487953792 677.9605603050195 205.17347999999998 C8H7N5O2 0 555.39 9814 10635 2M+K 641807 765.3487771999997 765.3492331225866 269.91900495956406 363.19280959999986 C14H10BrF3OS 0 1295.91 +9818 8589 2M+K 355555 562.284198 562.2853792518173 488.8554430457482 261.66051999999996 C13H8ClNO3 1 872.24 9821 11314 2M+K 213303 848.2739980000002 848.2774602159467 216.001995596256 404.6554200000001 C21H28N2S3 1 1200.14 +9822 6326 2M+K 553686 433.1870572 433.187891682908 434.44784288316873 197.1119496 C6H6F3NO3 1 580.09 +9825 2906 2M+K 386436 279.2074844 279.20678437650525 292.5083372518553 120.12216319999999 C5H9FO2 1 651.88 +9826 5273 2M+K 675299 385.16048440000003 385.1600103734715 323.218907279183 173.0986632 C6H4FNO4 1 430.86 +9828 9292 2M+K 40326 617.4063600000002 617.4078102703613 959.4963446192075 289.2216010000001 C11H16NO6P 1 808.82 +9831 4927 2M+K 699775 367.32239799999996 367.3241806124694 858.5478785705199 164.17961999999997 C5H8O4S 1 586.78 +9833 11889 2M+K 868391 931.956758 931.9529841547069 695.3606814871139 446.4968 C22H30N4O6 1 628.19 9836 3790 2M+K 553390 315.217838 315.21669206425696 615.7944045915042 138.12733999999998 C5H6N4O 1 328.21 +9838 7645 2M+K 724048 501.30827800000003 501.30651015385894 684.3159284502898 231.17256 C11H19Br 0 1261.79 +9839 11477 2M+K 231173 868.6908779999998 868.6898004280819 1231.8348470089118 414.8638599999999 C16H19ClN4O5S 1 540.28 9840 10842 2M+K 229279 789.6221179999997 789.6190599683307 1154.6171366452877 375.3294799999998 C18H17NO8 1 651.45 +9842 11176 3M+K 179090 831.6905067999996 831.6929511247421 1163.2967094799062 264.2424495999999 C15H11F3O 0 1001.01 9845 6896 3M+K 590394 459.2537379999999 459.2516764023365 615.9069619703278 140.09685999999996 C5H4N2O3 1 534.63 9846 7952 3M+K 35515 519.300541 519.2980005254237 676.0360270221305 160.112461 C8H5N2P 0 726.48 +9847 10329 3M+K 185833 729.6661875999998 729.6633285969547 254.49751849605155 230.23434319999993 C14H11FO2 1 851.37 +9849 12674 3M+K 276597 1065.852598 1065.8551613706563 815.9327842937062 342.29648 C12H22O11 1 627.51 +9852 10624 3M+K 220646 764.1842979999999 764.1828184710228 972.2064967317826 241.74037999999996 C10H12ClN3S 1 785.77 +9853 10158 3M+K 312025 711.861358 711.8600062365665 721.5374856133437 224.2994 C12H20N2O2 1 439.45 +9854 9585 3M+K 328922 642.562498 642.5647808415665 1098.6367723574824 201.19977999999998 C7H7NO4S 1 509.45 +9859 10786 3M+K 569582 783.5086468000001 783.5121877591965 439.1847020799389 248.18182960000001 C8H3F3N2O2S 0 770.03 9863 11913 3M+K 188526 935.1991780000001 935.1993319834306 319.9771472994838 298.74534 C12H11ClN2O3S 1 815.33 +9866 11293 3M+K 132924 844.3594815999998 844.3557977005787 261.1102041555631 268.46544119999993 C2H5ClF6N2P2 1 798.33 +9867 11002 3M+K 353252 807.7430979999998 807.742374744915 790.0504813951165 256.2599799999999 C13H12N4O2 1 638.89 +9870 7482 3M+K 412295 492.32165799999996 492.32275573630034 902.8651419702836 151.1195 C7H5NO3 1 433.7 +9871 10933 3M+K 519661 800.2662580000001 800.2660080759495 1097.221000113301 253.76770000000005 C14H20ClNO 1 834.97 9873 10941 3M+K 187362 801.6855579999999 801.6833158169544 1205.779878457701 254.24079999999998 C14H10N2O3 0 662.9 9874 11151 3M+K 408600 828.4634379999999 828.4612756388319 575.1661463650833 263.16675999999995 C8H4Cl2N2S2 1 1000.6 +9877 10966 3M+K 432744 805.1615979999999 805.1639677055456 972.4310951073462 255.39947999999998 C12H17NOS2 0 787.12 +9878 10841 3M+K 185823 789.6107667999999 789.607143612478 1125.39714798558 250.21586959999993 C14H9F3O 0 953.98 +9879 11632 3M+K 254273 895.1202580000001 895.1180199181895 789.8957465322533 285.38570000000004 C11H15N3O2S2 1 666.97 +9881 10624 3M+K 702638 764.1842979999999 764.1828184710228 972.2064967317826 241.74037999999996 C10H12ClN3S 1 830.25 +9882 11001 3M+K 694100 807.6673810000003 807.6653640059848 995.6904056448026 256.2347410000001 C12H17O4P 0 715.42 9883 7843 3M+K 325677 513.418858 513.4173117597657 885.8902834576976 158.15189999999998 C7H10O4 1 678.9 9884 11814 3M+K 79869 922.2551980000001 922.2520014679657 1123.1677263635602 294.43068 C12H22O4S2 1 1196.79 9887 6241 3M+K 283992 429.2593779999999 429.2597815600642 827.9968729162456 130.09873999999996 C5H6O4-- 1 603.72 9889 10470 3M+K 580566 747.6054771999999 747.6078874180432 1137.5022234312178 236.21410639999996 C13H10F2O2 0 858.76 9893 12625 3M+K 663916 1058.2855179999997 1058.2894152012382 1182.2067408802027 339.7741199999999 C15H18ClN3O4 0 725.7 9894 12733 3M+K 59529 1077.298108 1077.3027473048353 1052.1568609716244 346.11165 C4H5AuO4S 0 574.39 +9895 9054 3M+K 569191 597.7721475999998 597.7721726267101 301.6111172654314 186.26966319999994 C10H19FN2 0 60.01 +9896 5979 3M+K 219863 417.30317799999995 417.30310190245496 534.0478324858509 126.11333999999998 C5H6N2O2 1 646.26 +9897 12694 3M+K 213761 1070.5244980000002 1070.525940220739 804.1330219696866 343.85378000000003 C18H22ClN5 1 905 +9898 10452 3M+K 421835 744.5516380000001 744.5532924235193 1125.9601902610416 235.19616000000002 C10H9N3O4 1 713.71 +9900 8493 3M+K 304907 555.3938380000001 555.3950205509486 1029.4592425077844 172.14356 C8H4N4O 0 677.56 +9903 12121 3M+K 664414 970.2483580000003 970.2527314637643 1060.9799035567935 310.42840000000007 C18H30O4 1 1098.2 +9904 10158 3M+K 355634 711.861358 711.8600062365665 721.5374856133437 224.2994 C12H20N2O2 1 671.7 9905 11896 3M+K 435103 933.192808 933.1949936249788 1003.9043437315995 298.07655 C11H7IO2 1 859.67 +9908 12844 3M+K 185384 1096.2536380000004 1096.2488927824975 1100.7527301910436 352.4301600000001 C20H24N4O2 0 667.06 +9909 7843 3M+K 306340 513.418858 513.4173117597657 885.8902834576976 158.15189999999998 C7H10O4 1 490.95 9910 10665 3M+K 332812 768.1253980000001 768.1269976256493 1008.6256344302094 243.05408000000003 C9H7BrO3 0 769.99 +9913 10667 3M+K 398529 768.2209480000001 768.2241412236405 1188.2840221766892 243.08593000000002 C6H14INO 1 633.28 +9916 12246 3M+K 20821 990.5262579999999 990.5222014015541 626.7184200464897 317.18769999999995 C13H10Cl2O3S 1 1049.84 +9919 12834 3M+K 609966 1093.4735380000002 1093.4729018291844 393.42665704919153 351.50346 C19H29NO3S 0 1097.47 +9920 578 M+K 53054 159.113438 159.1132164396984 197.50324024767522 120.15028000000001 C4H12N2O2 1 61.06 +9921 5047 M+K 98329 373.201298 373.2005199030488 665.7302395318611 334.23814 C15H21Cl2NO3 1 1042.81 +9922 3815 M+K 133440 316.28365799999995 316.2845101850979 705.8230779767275 277.3204999999999 C17H15N3O 1 786.15 +9927 2117 M+K 412758 243.21477799999997 243.21474945409295 454.3164552507933 204.25161999999997 C9H8N4S 1 365.5 +9929 1888 M+K 210209 231.17433800000003 231.174522407555 744.6444533412334 192.21118000000004 C11H12O3 1 761.64 +9930 2386 M+K 638414 256.2283979999999 256.22722722643596 650.0444585890059 217.26523999999992 C16H11N 1 931.23 +9933 1693 M+K 251276 222.169118 222.16994811413852 322.1173909478825 183.20596 C12H9NO 1 892.67 9934 1297 M+K 371666 200.163598 200.16457482526738 517.5355389173843 161.20044000000001 C10H11NO 1 663.3 9935 2174 M+K 424266 246.188978 246.1895516752902 386.8792513588891 207.22582 C11H13NO3 1 651.81 +9936 3018 M+K 522937 284.1690812 284.1689306683844 335.56627995454926 245.20592319999997 C13H8FNO3 1 780.35 +9937 1272 M+K 35515 199.075619 199.07537446584413 539.4199247508957 160.112461 C8H5N2P 1 726.48 +9939 549 M+K 299949 157.10215283799997 157.1015474851748 537.8499444962016 118.13899483799997 C5H11NO2 1 225.08 +9943 3205 M+K 697321 291.27089800000005 291.2721931141256 723.9174513849432 252.30774000000002 C17H16O2 1 1029.52 +9946 1342 M+K 493705 202.179478 202.18031170282669 249.87277094879488 163.21632 C10H13NO 1 460.64 +9948 3497 M+K 379829 304.08406119999995 304.0843849345954 292.47181151266926 265.12090319999993 C13H10BrF 1 1178.15 9953 1588 M+K 475046 216.206058 216.2068768798867 183.7400046415038 177.24290000000002 C11H15NO 1 668.79 9954 2870 M+K 314655 277.181079 277.1797672411302 616.9587743733221 238.21792100000002 C9H19O5P 1 758.81 9955 7855 M+K 54868 514.2842379999997 514.2832472087282 578.0478112225428 475.3210799999997 C30H12Cl2O2 1 1019.62 +9956 863 M+K 116998 176.09913799999998 176.09994019955556 426.01693896462893 137.13598 C7H7NO2 1 245.93 +9957 8153 M+K 294336 532.4817676 532.4794506040944 1139.2143542316348 493.51860960000005 C25H30F3N3O4 1 676 +9958 1966 M+K 292284 235.20609800000003 235.2056792316725 692.848762216732 196.24294000000003 C11H16O3 1 745.24 +9959 3457 M+K 579933 302.1777876 302.1789345716887 540.26545540744155 263.21462959999997 C14H8F3NO 1 871.37 +9960 3549 M+K 172063 305.304078 305.3030241053062 748.3902861388195 266.34092 C16H18N4 1 628.06 +9961 3951 M+K 222379 322.2439780000001 322.2454154775628 688.0978791308612 283.28082000000006 C13H28Cl2N2 1 388.51 9962 2096 M+K 654367 242.18541799999997 242.18585442797638 356.2912538229394 203.22225999999998 C5H9N5O2S 1 658.51 9963 1693 M+K 54002 222.17087800000002 222.16994811413852 322.1173909478825 183.20772000000002 C8H13N3O2 1 571.51 9964 2024 M+K 493218 239.091579 239.091516124019 440.5870831997386 200.128421 C8H9O4P-- 1 626.45 9965 800 M+K 144105 172.13361799999998 172.13335948318172 670.1090300795757 133.17046 C8H9N2+ 1 678.89 9966 1297 M+K 625257 200.16359799999998 200.16457482526738 517.5355389173843 161.20044 C10H11NO 1 720.89 +9967 3661 M+K 100703 310.11345800000004 310.11273414103135 326.81221874556127 271.1503 C12H15BrO2 1 1066.69 9968 2785 M+K 361047 273.217618 273.2172363491564 497.7078400614246 234.25446 C11H14N4O2 1 140.17 +9970 7672 M+K 435206 503.33945799999987 503.3369568623808 641.4332162463254 464.37629999999984 C21H20O12 1 660.88 +9971 681 M+K 100525 166.10761799999997 166.1073464800472 170.17534839310053 127.14445999999998 C5H9N3O 1 120.15 +9972 7437 M+K 518021 490.26274800000004 490.2638259426782 610.8720305136959 451.29959 C23H18INO 1 1114.68 +9973 1938 M+K 120162 234.095458 234.09619656521926 286.3070462194141 195.13230000000001 C7H5N3O4 1 642.33 +9974 10166 M+K 281175 712.6567790000003 712.6584797576742 283.33917764022186 673.6936210000002 C32H44N5O9P 1 733.51 +9975 796 M+K 340020 172.10889799999998 172.10804998514533 161.35203743665016 133.14574 C5H11NO3 1 608.89 +9977 3192 M+K 622530 291.143478 291.14469134786407 427.1616634492247 252.18032 C10H8N2O6 1 44.76 +9979 2718 M+K 649081 270.213678 270.21472079441287 720.0515804233746 231.25052 C12H13N3O2 1 717.64 +9982 4904 M+K 627507 366.297738 366.29708823827264 900.1324333406317 327.33457999999996 C17H17N3O4 1 722.85 +9983 2440 M+K 204874 259.1117476 259.1118900479839 191.70279888875777 220.14858959999998 C8H7F3N2O2 1 648.51 +9984 5036 M+K 363019 373.09670800000004 373.09783134504073 872.3880099654787 334.13355 C9H7IN2O2S 1 860.23 +9987 7136 M+K 241916 473.2212867999999 473.2208514470778 519.6426116290171 434.2581287999999 C12H15F9N4O3 1 663.23 +9990 4055 M+K 196682 327.10641719999995 327.10691233816783 441.04454671287954 288.14325919999993 C10H6F6O3 1 844.76 9991 3269 M+K 702569 294.213618 294.2141627225186 675.260186049696 255.25046 C9H9N3O4S 1 676.05 9992 6094 M+K 169949 422.38519900000006 422.3834434977755 936.8921495697878 383.42204100000004 C25H22NOP 1 942.42 +9993 4119 M+K 317456 329.317338 329.3161589418834 802.9004834034446 290.35418 C17H22O4 1 1105.57 9995 1393 M+K 849101 205.137058 205.13752997092803 171.30923956294782 166.1739 C9H10O3 1 680.8 +9998 182 M+K 348634 130.08676333399998 130.08650909599828 188.66290173421612 91.12360533399999 C4H5D3O2 1 548.66 10000 974 M+K 48261 181.158718 181.15868140606224 949.3716267270293 142.19556 C8H14O2 1 828.53 +10001 2915 M+K 660217 280.117878 280.118032880836 612.2569361682051 241.15472 C10H18Cl2O2 1 1139.89 +10002 1693 M+K 29662 222.16911799999997 222.16994811413852 322.1173909478825 183.20595999999998 C12H9NO 1 743.2 +10003 7991 M+K 648851 521.3599179999999 521.3605669670067 974.2932681246552 482.3967599999999 C24H29Cl2NO5 1 884.46 10010 5530 M+K 139519 395.353958 395.3552869902878 894.8990640701437 356.39079999999996 C16H20O7S 1 923.44 +10013 5371 M+K 671367 389.2880179999999 389.2877684616659 728.6341560885262 350.3248599999999 C19H14N2O5 1 892.06 +10015 1342 M+K 170630 202.179478 202.18031170282669 249.87277094879488 163.21632 C10H13NO 1 470.09 +10017 1316 M+K 196340 201.12684119999997 201.12746372273585 536.1512971935608 162.16368319999998 C9H7FN2 1 572.85 +10018 8869 M+K 442240 581.4186399999999 581.4197225113343 1068.201915674718 542.4554819999998 C30H24O6P2 1 1061.76 +10019 3294 M+K 290998 295.244738 295.24592733674143 767.2658032566966 256.28157999999996 C9H12N4O3S 1 697.53 10022 2386 M+K 526615 256.226858 256.22722722643596 650.0444585890059 217.2637 C13H15NO2 1 804.58 +10026 2642 M+K 110789 267.231338 267.23165317836816 945.6583281430356 228.26818 C9H12N2O3S 1 454.09 10027 5058 M+K 596193 373.33167799999995 373.3307591643264 981.98044917456 334.36851999999993 C20H18N2O3 1 1044.83 +10031 2925 M+K 275469 280.1986243999999 280.19863002133627 591.0314012712959 241.23546639999992 C15H9F2N 1 1072.49 +10032 1341 M+K 13198 202.179478 202.18028867429578 1087.3342592180716 163.21632 C10H13NO 1 690.12 +10034 4931 M+K 128096 368.111318 368.11238057677383 519.4971815581383 329.14815999999996 C15H9BrN2O2 1 809.41 +10035 5883 M+K 733058 413.30821800000007 413.3088212489049 720.0974291245415 374.34506000000005 C19H29Cl2NO2 1 901.37 +10036 1145 M+K 361759 191.110478 191.11085732495562 297.30557586279207 152.14732 C8H8O3 1 671.77 +10037 10275 M+K 258794 724.3813076000001 724.3791349447503 1137.2352467519154 685.4181496000001 C31H16BrF3O8S 1 1287.39 +10038 5196 M+K 443498 381.2611779999999 381.2628314429828 681.7801150329483 342.2980199999999 C15H18O9 1 761.92 10039 1984 M+K 857490 236.20075799999995 236.2008685627769 625.5252100636621 197.23759999999996 C8H15N5O 1 523.2 +10040 765 M+K 493273 170.137618 170.13700319564148 220.81624867488028 131.17446 C9H9N 1 626 +10041 2726 M+K 359010 271.072898 271.07388308705833 216.44433938437024 232.10974 C9H11Cl2N3 1 560.83 10042 1362 M+K 670813 203.164238 203.1642732224213 597.3025285560702 164.20108000000002 C10H12O2 1 828.15 10043 2093 M+K 95846 242.15721799999997 242.15831117980562 265.9273247449258 203.19405999999998 C11H9NO3 1 652.51 +10044 1956 M+K 36371 235.08351800000003 235.082352432916 377.99457619350096 196.12036000000003 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304.19472099999996 C13H9N2O5P 1 779.79 10224 1763 2M+H+K 304962 226.1072266 226.1075768974082 358.3924327100578 206.12200959999998 C7H5F3N2O2 1 607.99 +10225 223 2M+H+K 494414 134.0268098 134.02725135928114 203.64284143264453 114.04159279999999 C3H2F4 1 750.59 +10226 5033 2M+H+K 241704 372.3458369999998 372.34666132963866 862.8953380188632 352.3606199999998 C20H18NO5+ 1 742.61 +10227 2472 2M+H+K 325123 261.04166019999997 261.0426735651107 421.9486486088671 241.0564432 C10H6BrFO 0 858.87 +10228 836 2M+H+K 493450 174.148417 174.14910424770812 276.24684939667696 154.1632 C8H10O3 1 688.6 +10229 5866 2M+H+K 540476 412.3040369999999 412.3048856564629 719.1418826770237 392.3188199999999 C21H23Cl2NO2 1 1223.41 10230 2133 2M+H+K 666238 244.17373700000002 244.17370646902043 434.29154023575444 224.18852 C6H8O7S 1 467.64 +10231 1573 2M+H+K 128068 215.180417 215.1794156671203 638.7926505874545 195.1952 C8H5NO3S 1 559.65 10235 6689 2M+H+K 379500 450.17373539999977 450.17542086582864 489.8998864756223 430.1885183999998 C6H2F12O4S2 1 620.54 10236 2664 2M+H+K 32873 268.262957 268.2632979752226 854.6279782018773 248.27773999999997 C13H16N2O3 1 564.73 +10237 4870 2M+H+K 436249 364.9248769999998 364.9260551045458 1282.0126721524775 344.93965999999983 C18H29ClO2S 1 1270.33 10239 4785 2M+H+K 207499 360.2937401999999 360.2924915669361 936.796839614914 340.3085231999999 C17H13FN4O3 1 789.28 +10240 2135 2M+H+K 230852 244.20003699999998 244.19896778660225 737.2543027042659 224.21481999999997 C13H8N2O2 1 596.14 +10244 4617 2M+H+K 97481 353.20643699999994 353.2065863447846 412.1280916764158 333.22121999999996 C20H13Br 1 1098.8 10245 6776 2M+H+K 241916 454.2433457999999 454.24405526274404 660.7773085199746 434.2581287999999 C12H15F9N4O3 1 663.23 +10246 4501 2M+H+K 705447 347.2219169999999 347.2218918707379 589.4732431382661 327.2366999999999 C14H15BrO2S 1 1216.11 10249 216 2M+H+K 615555 133.076617 133.0763259388329 230.67215527774724 113.0914 C5H5O3- 1 581.44 10250 1942 2M+H+K 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970.86 +10275 1578 2M+H+K 36371 216.10557700000004 216.10481121096745 322.4761183879816 196.12036000000003 C6H4N4O4 1 580.55 10276 3999 2M+H+K 477891 324.32445699999994 324.3259495325047 945.5694319089121 304.33923999999996 C20H16O3 1 1005.74 10277 606 2M+H+K 277048 161.09661699999998 161.0963284403091 598.3553862990615 141.11139999999997 C3H5N6O+ 1 625.9 10278 5408 2M+H+K 183176 391.19165699999996 391.19014407066516 712.887441685744 371.20644 C13H11BrN2O4S 1 823.16 10280 2723 2M+H+K 129533 270.28037699999993 270.27910343784094 922.5520317157317 250.29515999999995 C16H14N2O 1 685.74 +10282 3478 2M+H+K 46338 303.135097 303.13370050316973 458.8562730333915 283.14988 C14H12Cl2O2 1 901.39 10284 6063 2M+H+K 737260 421.2589369999999 421.2604086412295 810.4149605713263 401.2737199999999 C19H13BrO3S 1 1064.94 10285 4826 2M+H+K 262906 362.3030201999998 362.3025683619993 918.114585939267 342.31780319999984 C19H15FO5 1 1113.14 10288 3409 2M+H+K 637237 300.26175699999993 300.26149049868815 841.7023146461108 280.27653999999995 C13H16N2O5 1 426.68 10289 1497 2M+H+K 411175 211.16981800000002 211.16938556127633 490.2767589115096 191.18460100000001 C8H16O3P+ 1 625.69 +10290 2404 2M+H+K 269929 257.175318 257.17490981471315 551.2211461306413 237.19010100000003 C8H16NO5P 1 689.99 +10291 2135 2M+H+K 211673 244.19849700000003 244.19896778660225 737.2543027042659 224.21328000000003 C10H12N2O4 1 632.79 +10292 3311 2M+H+K 57616 296.2315369999999 296.2302116097633 681.7929022846724 276.2463199999999 C16H8N2O3 1 917.75 10294 5470 2M+H+K 518752 393.28223699999984 393.2822702153962 725.2692194916555 373.29701999999986 C16H13N4O7+ 1 624.86 +10295 5471 2M+H+K 518752 393.28223699999984 393.28331384129046 754.1401143303245 373.29701999999986 C16H13N4O7+ 1 624.86 +10296 8360 2M+H+K 638410 546.329477 546.3268356470539 636.3437560121131 526.34426 C25H34Br2O2 1 929.01 10300 2325 2M+H+K 325109 253.25161699999995 253.25267033088795 838.6537233320302 233.26639999999995 C12H15N3O2 1 487 10301 3147 2M+H+K 396563 289.130117 289.12984525525053 464.38109553773023 269.1449 C9H10Cl2O3S 1 988.6 10304 2235 2M+H+K 10453 249.18609700000002 249.1850257587683 752.2334638983677 229.20088 C6H7CaNO6 1 113.71 +10305 4708 2M+H+K 576525 357.15383699999995 357.15414809483326 461.11432515823634 337.16862 C14H13BrN2O3 1 827.64 +10307 2858 2M+H+K 579476 277.07300019999997 277.07402152620614 393.19052424258285 257.0877832 C12H7Cl2FO 1 973.33 +10308 3539 2M+H+K 36412 305.196257 305.1956749248693 542.6601605718326 285.21104 C3HCl7 1 1036.07 +10309 4509 2M+H+K 617525 348.0895969999999 348.08974012587004 495.54611094311866 328.10437999999994 C13H7Cl2NO5 1 888.05 +10310 1855 2M+H+K 118950 230.11746979999995 230.11758320122874 497.96721203268055 210.13225279999995 C6H6F4N4 1 344.43 +10311 3662 2M+H+K 316958 310.12927699999995 310.128102757469 338.0332552724465 290.14405999999997 C15H9Cl2NO 1 1280.36 +10316 1503 2M+H+K 395178 212.0741298 212.07439940994908 301.1255748458295 192.0889128 C3F4O3S 1 761.21 10317 3080 2M+H+K 89615 286.238477 286.23742596838093 666.4295809424892 266.25326 C11H14N4O4 1 786.11 +10318 5150 2M+H+K 183037 378.3207465999999 378.32187733132326 847.1636430717076 358.3355295999999 C15H13F3N2O3S 1 927.92 +10320 1345 2M+H+K 261532 203.041818 203.0426726418248 282.97537962136084 183.056601 C3H6NO6P-- 1 77.72 +10321 5453 2M+H+K 225490 392.31769700000007 392.3159532612135 731.4152047926875 372.3324800000001 C18H27Cl2N3O 1 598.02 +10322 3256 2M+H+K 636794 294.0963969999999 294.09728504155186 391.173526804328 274.11117999999993 C10H12BrNO3 1 821.41 10327 1695 2M+H+K 33110 222.192977 222.1933365422959 590.6138451437909 202.20776 C8H14N2O4 1 132.28 +10329 3256 2M+H+K 169244 294.097937 294.09728504155186 391.173526804328 274.11272 C13H8BrNO 1 806.53 +10332 4786 2M+H+K 121754 360.3119569999997 360.31042345574537 806.1198000727696 340.32673999999975 C19H16O6 0 818.25 +10336 5280 2M+H+K 255447 385.2783569999998 385.2776993056731 653.2613596207038 365.2931399999998 C19H11NO7 1 701.36 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C11H15NO5 1 661.18 +10354 2300 2M+H+K 265761 252.18073699999997 252.18053376814953 540.0193450321165 232.19551999999996 C10H8N4O3 1 588.52 10355 4036 2M+H+K 704454 326.19487699999996 326.1962958756344 486.54954519313054 306.20966 C15H9Cl2NS 1 1280.76 10356 3585 2M+H+K 436287 307.09185699999995 307.0907764159259 249.6542488623147 287.10663999999997 C11H11BrO4 0 912.12 10357 1596 2M+H+K 553686 217.0971666 217.09716214016234 1045.6043580802698 197.1119496 C6H6F3NO3 1 580.09 +10358 1597 2M+H+K 553686 217.0971666 217.09743958578053 294.8057344915692 197.1119496 C6H6F3NO3 1 580.09 +10359 657 2M+H+K 356250 164.136977 164.13649285947648 1219.1058308373938 144.15176 C4H4N2O2S 1 165.01 10360 2136 2M+H+K 709046 244.201797 244.2017645365134 208.14021250727347 224.21658 C9H12N4O3 1 558.88 +10363 7944 2M+H+K 664582 518.8942369999999 518.8948940549133 963.096567044207 498.9090199999998 C26H23ClO8 0 1084.66 +10364 4043 2M+H+K 342738 326.2676466 326.2686016390845 858.5598036799272 306.2824296 C16H13F3N2O 1 869.92 10365 3238 2M+H+K 510084 293.1171361999999 293.11689668549434 329.1181116762668 273.1319191999999 C9H5F6NO2 1 862.32 10366 6613 2M+H+K 476289 447.18485700000014 447.1847720561359 440.97568316796077 427.19964000000016 C20H36O2Sn 1 604.67 +10373 304 2M+H+K 386436 140.1073802 140.10726085793794 340.4453703573578 120.12216319999999 C5H9FO2 1 651.88 +10374 305 2M+H+K 386436 140.1073802 140.10727859180975 1291.6897857100403 120.12216319999999 C5H9FO2 1 651.88 +10375 4897 2M+H+K 106828 366.19253699999985 366.19099964341433 448.65053502001115 346.20731999999987 C18H13Cl2NO2 1 1174.27 +10376 4898 2M+H+K 106828 366.19253699999985 366.1937813253004 521.3888687039355 346.20731999999987 C18H13Cl2NO2 1 1174.27 +10378 2520 2M+H+K 338760 263.082357 263.08174066510946 741.0848342648087 243.09714000000002 C10H11BrO2 0 813.82 10379 1102 2M+H+K 385619 188.17499700000002 188.1756906304291 796.6631728876738 168.18978 C9H12O3 1 673.31 +10380 4168 2M+H+K 568077 331.34023699999995 331.3400391979087 836.3844520532764 311.35501999999997 C17H13NO3S 1 763.99 +10381 3153 2M+H+K 636635 289.16599699999995 289.16467925041195 514.1906057149135 269.18077999999997 C12H17BrN2 1 435.13 10382 4360 2M+H+K 194532 340.3223169999999 340.32064140874127 928.8414512332312 320.3370999999999 C17H20O6 1 802.38 +10383 3648 2M+H+K 40326 309.20681800000006 309.20577001875677 598.0859885763889 289.2216010000001 C11H16NO6P 1 808.82 +10384 1553 2M+H+K 477775 214.21557700000002 214.2164215841517 826.6445667767686 194.23036000000002 C10H14N2O2 1 597.77 +10385 1874 2M+H+K 123928 231.0806866 231.07974867764435 230.0904227499644 211.0954696 C6H4F3NO4 1 603.81 +10390 7002 3M+H+K 301790 466.107057 466.1050801837602 848.9787515108044 297.41456 C18H19NOS 1 750.42 10391 5985 3M+H+K 550851 417.87806699999993 417.87943724079975 1244.0364641975632 265.26189999999997 C13H15NO5 1 636.99 10392 4873 3M+H+K 543120 365.12600699999996 365.12743238988116 227.79599252549554 230.09385999999998 C9H9Cl2N3 1 536.43 +10394 5530 3M+H+K 705243 395.35610699999995 395.3552869902878 894.8990640701437 250.24725999999998 C13H14O5 1 764.56 10395 1406 3M+H+K 372761 206.10344849999998 206.10242824070835 239.42154492012642 124.07882099999999 C2H9N2O2P 0 399.38 +10397 3697 3M+H+K 68528 311.25890699999997 311.25743707793674 833.7509670387019 194.18246 C7H14O6 1 454.62 +10398 7631 3M+H+K 391249 500.3562569999999 500.3574677645463 653.2365347250102 320.24735999999996 C15H14BrNS 1 1019.77 10399 2408 3M+H+K 69705 257.22527699999995 257.22490927117 763.9711548871242 158.16003999999998 C8H6N4 1 436.93 10400 2409 3M+H+K 69705 257.22527699999995 257.2264788829674 808.9290712670208 158.16003999999998 C8H6N4 1 436.93 +10401 8832 3M+H+K 66102 578.4089369999998 578.4063672438679 968.4819982373483 372.28247999999985 C18H12O9 1 752.98 +10408 421 3M+H+K 671896 149.05943699999997 149.05990082378707 1136.6962001795143 86.04947999999999 C2H2N2O2 0 320.23 +10409 422 3M+H+K 671896 149.05943699999997 149.05994854538181 423.61022756389644 86.04947999999999 C2H2N2O2 0 320.23 +10410 4694 3M+H+K 666238 356.267997 356.2667333533176 710.9589842094038 224.18852 C6H8O7S 1 467.64 +10416 8577 3M+H+K 185422 560.8668269999998 560.8692384142076 1242.624043263679 360.5877399999999 C13H11BrClNO4 1 1084.03 +10417 5372 3M+H+K 529515 389.3457317999999 389.34549246898507 890.1198273967087 246.24034319999996 C12H11FN4O 1 618.05 +10419 7798 3M+H+K 705447 510.84026699999987 510.84188972892025 1221.1200335576716 327.2366999999999 C14H15BrO2S 0 1216.11 +10424 6805 3M+H+K 583161 455.35503179999984 455.355556035624 740.4001697013 290.2465431999999 C14H11FN2O4 0 648.6 10425 11168 3M+H+K 307683 830.8896869999999 830.8888928492145 396.4102547272398 540.6029799999999 C33H32O7 1 813.4 10432 5822 3M+H+K 274506 410.28869699999996 410.2901173000931 709.8343964817115 260.20232 C12H8N2O5 1 462.94 +10433 2334 3M+H+K 501686 254.124657 254.1245732810966 213.57174229510917 156.09296 C6H4O5 1 603.27 10439 6475 3M+H+K 719602 440.33543699999996 440.337129881001 736.289370627649 280.23348 C12H12N2O6 1 719.46 10440 8329 3M+H+K 220366 543.841767 543.8404134314176 847.4300845862705 349.2377 C15H10Cl2N4S 0 1001.01 10441 5863 3M+H+K 195261 412.250547 412.25209082520036 410.14771543212316 261.51022 C6H3Cl3O3S 1 860.51 10444 7409 3M+H+K 517331 488.33645700000005 488.3365093930538 842.772635475262 312.23416000000003 C16H19Cl2NO 1 632.34 +10445 4384 3M+H+K 674114 341.267577 341.26841174179054 654.3623742367504 214.18824 C15H11LiO 1 1114.49 +10446 8875 3M+H+K 541603 582.214767 582.2163230160565 519.2189222787404 374.8197 C22H15ClN2O2 1 1001.6 +10447 3904 3M+H+K 559027 320.2259513999999 320.22494772485265 615.787871306851 200.16048959999992 C9H7F3N2 1 770.37 +10448 2458 3M+H+K 514410 260.11111349999993 260.1123754388595 298.99049298415025 160.08393099999998 C4H10NaO3P 1 469.14 +10451 9607 3M+H+K 261193 645.2648369999998 645.2638608114469 414.10702656568947 416.85307999999986 C25H17ClO4 0 1220.38 +10452 5225 3M+H+K 735418 383.1537869999999 383.15340801305365 529.1581395055301 242.11237999999997 C10H12BrNO 1 687.1 +10453 5703 3M+H+K 110001 404.193657 404.1918398812196 521.8545724541784 256.13896 C11H14BrNO 1 758.81 10454 5940 3M+H+K 435672 416.22665700000005 416.22760958440807 605.2396375853136 264.16096000000005 C13H14BrN 1 784.59 10456 9149 3M+H+K 520076 606.4053270000003 606.4056485502465 671.783858104176 390.94674000000015 C22H31ClN2O2 1 641.56 10457 6298 3M+H+K 728122 431.39315699999986 431.3920142430444 893.3682866748677 274.2719599999999 C14H14N2O4 1 806.53 +10463 6792 3M+H+K 316958 455.20130699999993 455.20260802359405 298.0919558312118 290.14405999999997 C15H9Cl2NO 1 1280.36 10464 8047 3M+H+K 343055 526.1432070000001 526.1408142710111 915.5111024065918 337.43866 C19H19N3OS 0 799.29 +10468 8907 3M+H+K 563013 585.2063969999998 585.204441981867 982.4290661094417 376.8141199999999 C17H13ClN2O4S 0 988.1 10469 5837 3M+H+K 708510 411.18536700000004 411.18374324946626 458.9073723218894 260.80010000000004 C14H25ClO2 1 1193.76 10470 10347 3M+H+K 501825 731.6064869999998 731.6058928854231 1109.536787387194 474.4141799999998 C23H22O11 0 735.33 +10474 8529 3M+H+K 257386 557.3143769999997 557.3124694401018 657.1485856446161 358.2194399999998 C14H6N4O8 1 638.97 +10475 8530 3M+H+K 257386 557.3143769999997 557.3159976978864 743.6563466411696 358.2194399999998 C14H6N4O8 1 638.97 10477 6666 3M+H+K 551016 449.15630699999997 449.158180812717 185.37008873842728 286.11406 C11H9Cl2N3O2 1 689.36 +10478 8840 3M+H+K 302708 579.223347 579.2248452855652 367.9596411456215 372.82541999999995 C18H13ClN2O3S 1 745.51 +10480 2458 3M+H+K 476089 260.113041 260.1123754388595 298.99049298415025 160.085216 C5H5F5 1 575.76 +10486 9042 3M+H+K 272396 596.3780670000002 596.3782313250473 727.003868682127 384.2619000000001 C19H15Cl2N5 1 738.11 10487 4037 3M+H+K 203918 326.20405139999997 326.20455538962 629.3514277857354 204.14588959999998 C9H7F3O2 1 761.98 +10490 4945 3M+H+K 265761 368.2784969999999 368.2792411520335 723.4210722948912 232.19551999999996 C10H8N4O3 0 588.52 10495 2281 3M+H+K 426056 251.165427 251.1642992294071 529.9447466718935 154.12014 C7H6O4 1 612.15 10496 4159 3M+H+K 432515 331.168707 331.1690849956546 346.5886682637306 207.45566 C5H4BrClN2 1 640.89 +10499 4760 3M+H+K 26536 359.25710699999996 359.2585196348713 706.7615562078169 226.18126 C7H14O8 1 262.81 10500 8841 3M+H+K 229055 579.2509170000001 579.251035828388 402.40352387296684 372.84380000000004 C17H25ClN2O5 1 689.07 10501 2951 3M+H+K 389173 281.212167 281.21120354549936 618.2043153695788 174.15130000000002 C7H10O5 1 652.7 +10502 6888 3M+H+K 423777 459.1285469999999 459.12887397812966 357.4522424590112 292.76221999999996 C18H13ClN2 0 873.53 10510 1793 3M+H+K 553390 227.17622699999995 227.17558015832793 339.1910095425828 138.12733999999998 C5H6N4O 1 328.21 +10511 8568 3M+H+K 403579 560.336067 560.3348887777493 491.65210441916474 360.23389999999995 C19H15Cl2NO2 1 1127.04 +10517 81 M+H+K 386452 121.06833700000001 121.06809310324508 306.58742747612024 202.16624000000002 C10H6N2O3 0 689.99 10518 1341 M+H+K 263773 202.18004699999995 202.18028867429578 1087.3342592180716 364.3896599999999 C19H24O7 1 601.97 10519 1342 M+H+K 263773 202.18004699999995 202.18031170282669 249.87277094879488 364.3896599999999 C19H24O7 1 601.97 10522 194 M+H+K 184055 131.106217 131.10683254417552 382.11364144182244 222.242 C14H10N2O 1 874.23 @@ -1969,123 +5430,340 @@ 10526 443 M+H+K 82307 150.12855699999997 150.12792484527768 293.74183421622485 260.28667999999993 C18H12O2 1 944.13 10528 52 M+H+K 307448 118.06527700000001 118.06529871436838 413.2125008211468 196.16012 C8H8N2O4 0 523.5 10530 458 M+H+K 123163 151.09596699999997 151.09671755522655 868.4610387774649 262.22149999999993 C11H10N4O4 1 559.28 +10531 649 M+H+K 196682 164.05684659999997 164.0568811091228 157.0056600249136 288.14325919999993 C10H6F6O3 0 844.76 +10534 1806 M+H+K 669000 228.09524700000006 228.0949791285359 453.5652160937357 416.2200600000001 C19H39NOSn 1 596.9 10538 594 M+H+K 586022 160.12099859999998 160.12031708728205 717.7096333210077 280.27156319999995 C13H9FO4S 1 873.58 10539 1105 M+H+K 709795 189.055422 189.05501134088502 447.7629568376068 338.14041 C14H11IO2 0 1268.39 +10543 748 M+H+K 128227 169.13354699999994 169.133668071641 238.48449221510575 298.29665999999986 C15H14N4O3 1 736.96 10546 189 M+H+K 312022 131.06910179999997 131.0685673865866 403.137097438404 222.16776959999996 C7H9F3N4O 1 693.93 +10549 96 M+H+K 615851 122.096157 122.09651167032882 177.31462753206796 204.22188 C12H12O3 1 768.12 10550 97 M+H+K 615851 122.096157 122.09662982497044 841.477237104278 204.22188 C12H12O3 1 768.12 10551 800 M+H+K 533128 172.13418699999997 172.13335948318172 670.1090300795757 304.2979399999999 C15H16N2O5 1 643.14 +10552 1148 M+H+K 262906 191.14411859999993 191.14324381961575 490.0919005019492 342.31780319999984 C19H15FO5 1 1113.14 +10557 1412 M+H+K 359690 206.16285699999992 206.1621204754203 719.1687512143214 372.3552799999998 C16H12N4O5S 1 782.63 +10560 113 M+H+K 399146 123.11731699999999 123.11691487917481 504.82982035285966 206.2642 C10H10N2OS 1 713.29 +10562 279 M+H+K 580566 138.09227019999997 138.09160610339865 209.5234346481282 236.21410639999996 C13H10F2O2 0 858.76 10567 3999 M+H+K 425594 324.32533700000005 324.3259495325047 945.5694319089121 608.6802400000001 C36H36N2O7 1 700.37 +10570 122 M+H+K 304190 124.11203699999999 124.112257121933 395.8723883479932 208.25364 C12H16O3 1 849.88 10571 2492 M+H+K 373993 261.220078 261.22135315396537 774.244360332739 482.469722 C28H20O2P2S 1 1018.47 +10573 684 M+H+K 138094 166.13048699999996 166.13109722643853 524.7898138959574 292.2905399999999 C13H16N4O4 1 814.1 +10574 566 M+H+K 207268 158.129137 158.12901820591867 185.9807710111827 276.28783999999996 C14H16N2O4 1 678.26 10575 465 M+H+K 864457 152.01703200000003 152.01676106397548 306.2845837080086 264.06363000000005 C7H9IN2O 0 470.42 10576 5055 M+H+K 291146 373.2935870000002 373.2944640024739 626.1930192132531 706.6167400000004 C28H20N8Na2O8S2 1 762.78 +10577 608 M+H+K 728772 161.10824699999998 161.10753536342196 343.9452471142466 282.24605999999994 C13H14O7 1 729.78 +10578 2690 M+H+K 44003 269.24683699999997 269.24737046956244 1016.4474057404693 498.52323999999993 C30H26O7 1 1061.35 +10580 697 M+H+K 337919 167.02630750000003 167.0264603501488 195.22382623964302 294.08218100000005 C9H13BrNO3P 1 647.05 +10581 122 M+H+K 487751 124.11203700000002 124.112257121933 395.8723883479932 208.25364000000005 C12H16O3 1 808.57 +10582 2133 M+H+K 853652 244.17366699999994 244.17370646902043 434.29154023575444 448.37689999999986 C21H20O11 1 706.38 10584 151 M+H+K 334069 127.09521699999999 127.09485248734397 250.58803763774245 214.21999999999997 C12H10N2O2 1 660.7 +10585 130 M+H+K 243884 125.06045180000001 125.05997187018556 436.62203746057116 210.15046960000004 C8H9F3O3 1 693.38 10586 443 M+H+K 280303 150.128557 150.12792484527768 293.74183421622485 260.28668 C18H12O2 1 947.41 +10587 784 M+H+K 366381 171.14854699999998 171.14923590995 1011.4188505014293 302.32665999999995 C19H14N2O2 1 902.3 +10588 1060 M+H+K 287500 186.113477 186.11263345927637 390.66812456983104 332.25651999999997 C13H18BrNO2S 0 992.95 10591 5345 2M+ACN+H 628005 388.3041252 388.3053278748097 737.273592559434 173.1351496 C8H6F3N 1 705.06 +10592 8164 2M+ACN+H 95427 533.4421859999999 533.4420189727441 1104.28412323747 245.70417999999995 C14H12ClNO 1 902.3 +10593 10685 2M+ACN+H 263773 770.8131459999997 770.8107857431625 1268.5504549968468 364.3896599999999 C19H24O7 0 601.97 +10594 4676 2M+ACN+H 530667 355.25934599999994 355.25890267688976 412.32117932634367 156.61275999999998 C7H9ClN2 1 727.08 10595 9387 2M+ACN+H 260849 626.7836260000001 626.7853881888022 266.6284942627759 292.3749000000001 C19H20N2O 1 637.12 10600 6778 2M+ACN+H 304962 454.27784519999994 454.27913360146636 607.0235698468109 206.12200959999998 C7H5F3N2O2 1 607.99 +10605 11998 2M+ACN+H 390521 947.2086660000001 947.2101523441416 1048.7577616087988 452.58742000000007 C21H28N2O5S2 1 1014.85 +10606 4065 2M+ACN+H 801 327.19958599999995 327.1997358461578 487.09890564334785 142.58288 C7H7ClO 1 734.64 +10607 9807 2M+ACN+H 380707 668.4174660000001 668.4183348829922 529.066997164216 313.19182000000006 C16H13BrN2 1 1165.4 +10608 6362 2M+ACN+H 307448 434.354066 434.3529142295407 534.1651492485643 196.16012 C8H8N2O4 1 523.5 +10609 7706 2M+ACN+H 542435 505.31610599999993 505.3157430405342 637.5476876877298 231.64113999999998 C10H6ClN5 1 726.44 +10611 9386 2M+ACN+H 798109 626.6280259999999 626.6274938814431 276.01722682196953 292.29709999999994 C10H10N7O2S+ 1 238.44 +10613 8664 2M+ACN+H 123163 566.4768259999998 566.4756723600584 1092.5480514278486 262.22149999999993 C11H10N4O4 0 559.28 +10615 3134 2M+ACN+H 447643 288.25262599999996 288.253374252078 762.5582227418752 123.10939999999998 C6H5NO2 1 530.67 10616 7307 2M+ACN+H 204874 482.33100519999994 482.3307209931199 731.9210281339209 220.14858959999998 C8H7F3N2O2 1 648.51 10618 8254 2M+ACN+H 569582 538.3974852 538.3965183259072 1103.7993461640733 248.18182960000001 C8H3F3N2O2S 1 770.03 +10621 10854 2M+ACN+H 45302 791.1472660000002 791.1487209631287 928.3363181656226 374.5567200000001 C24H38O3 0 1054.29 10626 10152 2M+ACN+H 8855 710.472148 710.4704659431694 835.5198158328609 334.219161 C11H15N2O8P 1 211.11 +10631 7498 2M+ACN+H 592359 493.22480519999993 493.2240339919398 424.4583317361736 225.59548959999998 C8H7ClF3NO 0 782.07 +10633 7721 2M+ACN+H 359010 506.25330599999995 506.2543963934711 840.9959634246877 232.10974 C9H11Cl2N3 0 560.83 +10634 11078 2M+ACN+H 296455 817.3602260000004 817.3588568001412 333.26988875886127 387.6632000000002 C22H45NO2S 1 1153.18 +10635 6354 2M+ACN+H 36371 434.27454600000004 434.273961296238 554.6242999303464 196.12036000000003 C6H4N4O4 1 580.55 +10636 7108 2M+ACN+H 215975 471.251986 471.2502625646504 710.785709117476 214.60908 C7H7ClN4O2 1 648.57 +10637 3273 2M+ACN+H 280008 294.34002599999997 294.3414046733704 778.8145694983351 126.1531 C7H10O2 1 640.28 10638 6403 2M+ACN+H 500100 437.184346 437.183664163461 427.9032120790533 197.57526000000001 C8H4ClNO3 1 736.7 10640 8937 2M+ACN+H 584960 586.5393859999999 586.5383963440578 1164.7971805738746 272.25278 C15H12O5 0 757.32 +10648 10686 2M+ACN+H 258986 770.8626723999996 770.8653456654674 345.6691216848606 364.4144231999998 C16H13FN2O3S2 0 948.42 +10655 6722 2M+ACN+H 88652 451.3418659999999 451.3427716279723 698.2848504006522 204.65401999999997 C8H13ClN2O2 0 124.55 +10656 7659 2M+ACN+H 513670 502.253428 502.2522248972464 625.6632875458523 230.109801 C5H11O8P-- 1 238.36 +10658 6517 2M+ACN+H 559027 442.3548051999998 442.35271355828564 732.1433812125659 200.16048959999992 C9H7F3N2 1 770.37 +10662 9662 2M+ACN+H 51265 650.6363059999999 650.6353601253454 271.8351414056367 304.30123999999995 C14H16N4O4 0 641.96 +10663 7318 2M+ACN+H 563586 483.2347987999999 483.2331985475544 501.3736777404131 220.60048639999997 C9H7ClF2O2 1 972.46 10664 7319 2M+ACN+H 563586 483.2347987999999 483.2360462160386 916.0866812445294 220.60048639999997 C9H7ClF2O2 1 972.46 +10666 6429 2M+ACN+H 35795 438.379226 438.37839313454845 1271.5354092132006 198.17270000000002 C9H10O5 1 678.14 10670 8345 2M+ACN+H 308196 544.9136260000001 544.9109507373239 1137.9459348553564 251.43990000000005 C14H25NOSi 0 828.43 10671 10528 2M+ACN+H 395142 754.8746260000003 754.8715327687551 374.0817027994536 356.42040000000014 C22H20N4O 0 913.07 10672 8098 2M+ACN+H 618161 529.410426 529.4127529776995 832.9497355840994 243.6883 C14H10ClNO 1 1025.72 10673 6685 2M+ACN+H 202797 450.11299239999994 450.1113415193058 433.27851708595637 204.03958319999998 C7H7BrFN 1 590.9 +10675 4530 2M+ACN+H 632831 348.3111859999999 348.3106174563931 901.2429626240344 153.13867999999997 C6H7N3O2 1 256.82 +10676 6164 2M+ACN+H 395178 426.2116516 426.2126079733221 653.1183216894608 192.0889128 C3F4O3S 0 761.21 10677 8977 2M+ACN+H 636794 590.2561859999998 590.2558784958278 254.7281663898762 274.11117999999993 C10H12BrNO3 0 821.41 10679 5623 2M+ACN+H 558536 400.3062259999999 400.30541101416765 808.2539410986991 179.13619999999997 C6H5N5O2 1 270.14 +10680 7086 2M+ACN+H 323495 470.238386 470.23878450292705 398.9613131042695 214.10228 C9H12BrN 1 670.35 10681 11912 2M+ACN+H 733571 935.1926259999999 935.1950844029099 998.6084357436262 446.57939999999996 C32H30O2 1 980.38 +10684 8033 2M+ACN+H 421819 524.305308 524.3059042823444 625.9177460208791 241.135741 C6H12NO7P 0 107.38 +10685 6973 2M+ACN+H 614240 464.24880799999994 464.2485109071779 506.4765518828149 211.10749099999998 C7H9NaO4P+ 1 93.17 +10686 6974 2M+ACN+H 614240 464.24880799999994 464.2498519750308 543.3407294597907 211.10749099999998 C7H9NaO4P+ 1 93.17 10689 2603 2M+ACN+H 248747 266.11462599999993 266.1147020317132 665.3175614225717 112.04039999999998 C4O4-- 1 528.66 +10693 10822 2M+ACN+H 302708 787.6846659999999 787.6872564290604 1067.684288713149 372.82541999999995 C18H13ClN2O3S 1 745.51 10694 8837 2M+ACN+H 608717 578.734226 578.7331782650274 224.7728867067147 268.35020000000003 C18H20O2 1 1099.21 10695 4784 2M+ACN+H 657003 360.2795479999999 360.2782437310888 598.529163376416 159.12286099999997 C6H10NO2P 1 665.09 +10696 5453 2M+ACN+H 109342 392.31562599999995 392.3159532612135 731.4152047926875 175.1409 C9H5NO3 1 619.6 +10697 9175 2M+ACN+H 443050 609.1049060000004 609.107827949319 906.5967631456688 283.5355400000002 C19H41N 0 578.1 +10703 3273 2M+ACN+H 31238 294.34002599999997 294.3414046733704 778.8145694983351 126.1531 C7H10O2 1 651.49 +10704 4144 2M+ACN+H 356250 330.33734599999997 330.3362778997565 1012.5091908595028 144.15176 C4H4N2O2S 1 165.01 +10705 4563 2M+ACN+H 426056 350.27410599999996 350.27312516899235 220.47133920161895 154.12014 C7H6O4 1 612.15 +10706 9690 2M+ACN+H 342738 654.5986852 654.6019379205065 1142.0116958645053 306.2824296 C16H13F3N2O 0 869.92 +10707 6450 2M+ACN+H 360334 439.3825835599999 439.38146193773485 928.4063301232654 198.67437877999996 C4ClD10O2PS 1 887.58 +10708 8955 2M+ACN+H 510084 588.2976643999998 588.2979405302942 455.9752242809665 273.1319191999999 C9H5F6NO2 0 862.32 +10711 6390 2M+ACN+H 83656 436.22714599999995 436.22600867410165 590.5372442958106 197.09665999999999 C4H9BrN2S 1 108.8 10716 1547 2M+ACN+H 299339 214.126186 214.12685355400706 242.92867397578198 86.04617999999999 C3H2O3 1 537.37 +10717 5399 2M+ACN+H 81566 390.35976519999986 390.3579320995315 967.2670861390469 174.16296959999994 C9H9F3 1 953.7 10720 9634 2M+ACN+H 61084 648.3560659999999 648.3542066465154 558.8327150694241 303.16112 C12H8Cl2O3S 0 1016.77 +10722 1851 M+ACN+H 647445 230.047946 230.04784979381637 298.4867275042798 188.01412 C6H3Cl2N3 0 733.05 +10724 3577 M+ACN+H 179090 306.27627559999985 306.27698328188114 933.3576934720807 264.2424495999999 C15H11F3O 0 1001.01 10725 2754 M+ACN+H 543120 272.127686 272.12760828283007 527.9981802164198 230.09385999999998 C9H9Cl2N3 0 536.43 +10726 3938 M+ACN+H 66531 322.138156 322.1397423681565 357.80963955990524 280.10433 C12H9I 1 1014.33 10727 1675 M+ACN+H 736190 221.12070599999998 221.12145480721253 366.44119075196625 179.08687999999998 C8H12Cl2 0 1026.63 10728 6945 M+ACN+H 640453 462.32113599999997 462.320370816719 456.99691910534204 420.28731 C19H21IN2O 1 945.23 10729 2600 M+ACN+H 629397 266.08786599999996 266.08740419904694 261.48183930709087 224.05404 C9H6BrNO 1 732.92 10730 2683 M+ACN+H 436149 269.174626 269.1748864225014 504.6789818056872 227.1408 C11H15Br 1 1052.78 10731 2135 M+ACN+H 386452 244.20006600000002 244.19896778660225 737.2543027042659 202.16624000000002 C10H6N2O3 1 689.99 +10733 3273 M+ACN+H 697321 294.341566 294.3414046733704 778.8145694983351 252.30774000000002 C17H16O2 1 1029.52 +10734 3591 M+ACN+H 379829 307.1547291999999 307.15368419944735 560.9979010464435 265.12090319999993 C13H10BrF 1 1178.15 +10735 11185 M+ACN+H 572270 832.6979480000003 832.6980540468086 1159.0486922756504 790.6641220000004 C29H50N3O18P2- 1 795.09 +10736 4765 M+ACN+H 866404 359.37204599999995 359.3709372776922 879.738001036601 317.33822 C13H23N3O6 1 613.1 10738 2313 M+ACN+H 637020 253.09240599999998 253.09306792342312 291.6232380289304 211.05857999999998 C8H7BrN2 1 747.57 10739 3545 M+ACN+H 579933 305.24845559999994 305.2470941689405 702.8997180773499 263.21462959999997 C14H8F3NO 1 871.37 +10740 3006 M+ACN+H 350694 284.095236 284.0952291306403 309.304438410749 242.06141 C4H11IN4 1 108.61 10742 6362 M+ACN+H 540476 434.3526459999999 434.3529142295407 534.1651492485643 392.3188199999999 C21H23Cl2NO2 1 1223.41 10743 5621 M+ACN+H 370426 400.2684651999998 400.2688723509415 552.3493927420355 358.23463919999983 C17H8F6O2 1 913.72 +10746 5448 M+ACN+H 645349 392.2625659999999 392.2638244507839 490.66844079333015 350.2287399999999 C12H16BrNO4S 1 872.96 +10747 6418 M+ACN+H 366120 438.17330599999997 438.17531398019105 436.1952947890967 396.13948 C16H12Br2S 1 1159.19 +10748 1498 M+ACN+H 383192 211.17190599999998 211.17134920443777 596.3658325724092 169.13807999999997 C6H7N3O3 1 555.17 +10749 3269 M+ACN+H 622530 294.21414599999997 294.2141627225186 675.260186049696 252.18032 C10H8N2O6 1 44.76 +10750 2618 M+ACN+H 230852 266.24864599999995 266.247710830689 749.341808832427 224.21481999999997 C13H8N2O2 1 596.14 +10751 2509 M+ACN+H 204874 262.18241559999996 262.18370677809514 668.251715063055 220.14858959999998 C8H7F3N2O2 1 648.51 10752 2702 M+ACN+H 307506 270.108506 270.108188119828 202.48462978703327 228.07468 C10H7Cl2NO 1 714.07 10753 2731 M+ACN+H 275454 271.10768599999994 271.1079033642153 466.67188029959163 229.07385999999997 C8H9BrN2O 1 630.42 +10754 5096 M+ACN+H 97481 375.25504599999994 375.25686687692826 490.1331196438862 333.22121999999996 C20H13Br 1 1098.8 +10758 2379 M+ACN+H 677125 256.1729956 256.1728154804565 793.2060054760631 214.1391696 C7H9F3O4 1 747.94 +10761 4722 M+ACN+H 77010 357.35440599999987 357.35526481310575 852.5808301539934 315.3205799999999 C17H17NO5 1 898.76 10762 3205 M+ACN+H 641278 291.27150919999997 291.2721931141256 723.9174513849432 249.2376832 C13H12FNO3 1 1000.54 +10763 4504 M+ACN+H 673726 347.2538859999999 347.2541905786413 227.22960176954038 305.22005999999993 C13H14Cl2O2S 1 1153.15 10764 7509 M+ACN+H 98026 494.1736659999999 494.1734850201035 909.1433314693479 452.13983999999994 C18H16Br2N2O2 0 888 10766 1257 M+ACN+H 501686 198.126786 198.12581265204471 335.3880993862123 156.09296 C6H4O5 1 603.27 10768 2428 M+ACN+H 728317 258.2071188 258.20642869201356 638.2879643044993 216.1732928 C8H12F4O2 1 774.47 +10771 4871 M+ACN+H 592160 364.96235600000006 364.9623052317817 1241.5087378518324 322.9285300000001 C7H4BrIN2 1 839.44 +10772 3301 M+ACN+H 617576 296.113846 296.11261587340397 328.0250922906675 254.08002000000002 C10H8BrNO2 1 670.55 +10780 1550 M+ACN+H 558424 214.16267240000002 214.16268598471132 484.3106069303573 172.12884640000001 C8H6F2O2 0 698.29 10781 3231 M+ACN+H 129533 292.32898599999993 292.32919126992783 780.8736704094019 250.29515999999995 C16H14N2O 1 685.74 +10782 4014 M+ACN+H 46338 325.183706 325.18480583627314 453.27575354703475 283.14988 C14H12Cl2O2 1 901.39 +10786 5691 M+ACN+H 192207 403.288506 403.2871996739235 578.932473191725 361.25468 C13H17BrN2O3S 1 711.5 +10787 5692 M+ACN+H 192207 403.288506 403.2882926238218 575.5277761955617 361.25468 C13H17BrN2O3S 1 711.5 10788 4827 M+ACN+H 512949 362.329546 362.3300229814228 995.6713623137261 320.29572 C10H8O8S2 1 523.92 10789 4304 M+ACN+H 126374 337.32984599999986 337.3293279258351 932.642699840073 295.2960199999999 C15H13N5O2 1 553.15 +10790 3683 M+ACN+H 588237 311.12848599999995 311.1276245841701 1015.2100902527241 269.09466 C10H9BrN2O2 1 796.19 +10792 4113 M+ACN+H 490257 329.1835259999999 329.1828192471079 446.43143974227473 287.14969999999994 C12H15BrO3 1 918.77 +10800 2618 M+ACN+H 211673 266.24710600000003 266.247710830689 749.341808832427 224.21328000000003 C10H12N2O4 1 632.79 +10801 6144 M+ACN+H 81980 425.25976599999996 425.26133652185695 580.9857071383308 383.22594 C17H16Cl2N2O4 1 1043.06 +10802 2894 M+ACN+H 580566 278.24793239999997 278.2478566796995 792.4700792397657 236.21410639999996 C13H10F2O2 1 858.76 +10804 1146 M+ACN+H 373981 191.118807 191.11805260175583 280.4185550074404 149.084981 C4H8NO3P 1 588.75 10810 2060 M+ACN+H 365136 241.070586 241.07087164308888 482.76630070113055 199.03676 C8H4Cl2N2 0 820.17 +10814 1840 M+ACN+H 345342 229.15579559999998 229.15495722222653 210.03148617508995 187.12196959999997 C7H4F3N3 1 736.81 +10815 732 M+ACN+H 219863 168.14716599999997 168.14655465939757 590.4452719149913 126.11333999999998 C5H6N2O2 1 646.26 +10816 1919 M+ACN+H 698905 233.066886 233.06666936889593 254.02701613185206 191.03306 C3H4Cl2O3S 1 762.38 +10817 4357 M+ACN+H 586826 340.2478955999999 340.2483272266194 647.4896937008273 298.2140695999999 C14H9F3O4 1 844.28 +10820 3236 M+ACN+H 564336 293.10179239999997 293.10207881162137 460.79097505601766 251.06796639999996 C9H9BrF2O 1 995.7 +10822 1740 M+ACN+H 261532 225.090427 225.09099871459333 697.6555833804762 183.056601 C3H6NO6P-- 1 77.72 +10823 3518 M+ACN+H 657771 304.2999259999999 304.2997462617335 747.2738379549876 262.26609999999994 C15H10N4O 1 836.64 +10824 6082 M+ACN+H 565122 422.14789559999986 422.1470651337512 402.86616112214415 380.1140695999999 C13H9BrF3NO4 0 965.86 +10825 7885 M+ACN+H 671742 516.179186 516.1806087219028 225.86830221156603 474.14536 C20H14Br2N2O2 1 1113.37 +10826 2374 M+ACN+H 323495 256.136106 256.1370582983967 309.6795545043874 214.10228 C9H12BrN 0 670.35 +10828 4044 M+ACN+H 230948 326.3056659999999 326.30498278718306 862.6013900842893 284.27183999999994 C10H16N6O4-- 1 683.23 +10830 1172 M+ACN+H 8237 193.035606 193.03510903846959 186.5688912635428 151.00178 C4H7BrO 0 726.51 10832 6036 M+ACN+H 385846 420.295666 420.2944429280001 542.247997030497 378.26184 C21H16BrNO 1 1031.83 10834 1333 M+ACN+H 476089 202.119042 202.11843551862967 224.16236718977757 160.085216 C5H5F5 1 575.76 +10835 7973 M+ACN+H 851629 520.4367059999998 520.4352753496144 1115.173996786489 478.40287999999987 C22H22O12 0 653.45 +10836 7974 M+ACN+H 851629 520.4367059999998 520.4368678225865 1074.3911137081254 478.40287999999987 C22H22O12 0 653.45 +10840 1299 M+ACN+H 306340 200.185726 200.1857480239962 597.5989267635263 158.15189999999998 C7H10O4 1 490.95 +10847 3083 M+ACN+H 606603 286.261167 286.26092507423346 740.736901629329 244.227341 C10H17N2O3P 1 658.46 +10854 2351 M+ACN+H 590516 255.104986 255.10547901732946 404.7661186958999 213.07116 C9H9BrO 1 751.6 +10855 4757 M+ACN+H 20821 359.2215259999999 359.2215155115542 638.4705803702917 317.18769999999995 C13H10Cl2O3S 1 1049.84 +10856 3699 M+ACN+H 701363 311.3042091999999 311.30546149617146 892.5228464972142 269.2703831999999 C16H12FNO2 1 830.38 10861 1117 M+ACN+H 251673 189.164626 189.16381861799405 608.0257615203632 147.1308 C8H5NO2 1 633.94 10862 3541 M+ACN+H 45065 305.215326 305.21513803666653 426.6192849994471 263.1815 C7H5NO8S 1 424.91 10863 2317 M+ACN+H 123928 253.1292956 253.1286536365287 275.0712082328623 211.0954696 C6H4F3NO4 1 603.81 +10866 6800 M+ACN+H 661077 455.2824459999998 455.282545286161 618.6891846236117 413.24861999999985 C19H18Cl2O6 1 880.83 10867 1796 M+ACN+H 491653 227.21920599999999 227.2196947195458 816.7905094459483 185.18537999999998 C9H7N5 1 768.58 +10868 2784 M+ACN+H 724048 273.206386 273.20599360678943 660.2214895043148 231.17256 C11H19Br 1 1261.79 10869 5079 M+ACN+H 287500 374.29034599999994 374.28995983266634 608.6733706646537 332.25651999999997 C13H18BrNO2S 1 992.95 +10871 409 M+ACN+2H 134506 148.06020100000003 148.06058508020996 1076.1997782896012 253.07930000000005 C9H10Cl2O4 1 820.99 +10875 146 M+ACN+2H 637020 127.04984099999999 127.05035463647057 951.3742783507494 211.05857999999998 C8H7BrN2 1 747.57 10877 494 M+ACN+2H 579933 153.1278658 153.12766371685555 452.55751526574227 263.21462959999997 C14H8F3NO 1 871.37 10880 4739 M+ACN+2H 281175 358.36736150000013 358.36760861170234 1025.8634224029838 673.6936210000002 C32H44N5O9P 1 733.51 +10881 819 M+ACN+2H 29049 173.16553100000002 173.1649889356373 240.53735577291164 303.28996 C14H9NO5S 1 689.31 +10882 1450 M+ACN+2H 227042 208.17994100000007 208.1809244509201 198.3446236398889 373.3187800000001 C21H22Cl2N2 1 773.57 +10883 131 M+ACN+2H 298413 125.07064899999997 125.07105030815876 237.27110890169166 207.10019599999995 C8H2F5N 1 887.22 +10884 33 M+ACN+2H 860429 115.075701 115.07551986018649 374.21935949757227 187.1103 C5H5N3O5 1 585.93 +10885 34 M+ACN+2H 860429 115.075701 115.07624153075867 1194.0365319443863 187.1103 C5H5N3O5 1 585.93 +10886 332 M+ACN+2H 660217 142.097911 142.0977164701916 186.40301473544974 241.15472 C10H18Cl2O2 1 1139.89 +10887 7075 M+ACN+2H 288866 469.35057250000017 469.34925399727655 1048.5888234890558 895.6600430000003 C27H44N7O19P3S 1 663.92 +10888 7076 M+ACN+2H 288866 469.35057250000017 469.3519798509968 694.811375698998 895.6600430000003 C27H44N7O19P3S 1 663.92 10891 754 M+ACN+2H 386413 170.05640150000002 170.0556846285263 237.49160925072135 297.071701 C10H11Cl2O4P 1 887.36 10893 1427 M+ACN+2H 183176 207.123771 207.12310093011345 348.5995344005383 371.20644 C13H11BrN2O4S 1 823.16 10894 2112 M+ACN+2H 338362 243.1710289999999 243.17037781604364 371.13189882475467 443.30095599999976 C18H6F5NO5S 1 833.72 10895 637 M+ACN+2H 46338 163.095491 163.09493698029445 426.28352659260463 283.14988 C14H12Cl2O2 1 901.39 10896 1692 M+ACN+2H 737260 222.15741099999997 222.1568969304911 561.1523578674215 401.2737199999999 C19H13BrO3S 1 1064.94 +10901 7758 M+ACN+2H 288736 508.3849625000002 508.38422013628406 926.7907924713957 973.7288230000004 C32H46N7O20P3S 0 286.97 +10902 703 M+ACN+2H 221194 167.084961 167.08498833022549 199.79129404905413 291.12881999999996 C15H8Cl2O2 0 1004.24 +10904 255 M+ACN+2H 10453 136.120991 136.12043358360128 490.3477315708957 229.20088 C6H7CaNO6 0 113.71 10905 77 M+ACN+2H 365136 121.03893099999999 121.0392884978517 244.52437207320926 199.03676 C8H4Cl2N2 0 820.17 +10906 285 M+ACN+2H 617403 139.054211 139.05459181081275 821.7279588612339 235.06732000000002 C8H8Cl2N2O2 0 734.17 +10907 715 M+ACN+2H 138094 167.66582099999997 167.6653511072879 214.32198621878211 292.2905399999999 C13H16N4O4 0 814.1 +10908 370 M+ACN+2H 333692 145.065121 145.06497070417922 499.12470055071356 247.08914000000001 C8H11BrN2O2 0 731.86 +10909 2897 M+ACN+2H 218909 279.12206249999997 279.12266489848093 496.10195981893037 515.2030229999999 C12H16N5O12P3 1 596.76 +10910 1356 M+ACN+2H 641807 203.11695579999994 203.11792749926104 325.10962438974434 363.19280959999986 C14H10BrF3OS 0 1295.91 +10911 663 M+ACN+2H 436287 165.073871 165.0739683852196 361.61750895590313 287.10663999999997 C11H11BrO4 1 912.12 +10914 537 M+ACN+2H 636635 156.110941 156.11022927900606 420.14835123085555 269.18077999999997 C12H17BrN2 1 435.13 +10915 684 M+ACN+2H 40326 166.13135150000005 166.13109722643853 524.7898138959574 289.2216010000001 C11H16NO6P 1 808.82 +10918 33 M+ACN+2H 550258 115.07587099999999 115.07551986018649 374.21935949757227 187.11064 C6H16Cl2N2 1 126.27 +10919 34 M+ACN+2H 550258 115.07587099999999 115.07624153075867 1194.0365319443863 187.11064 C6H16Cl2N2 1 126.27 10920 812 M+ACN+2H 61084 173.101111 173.10040548166913 340.49059508238076 303.16112 C12H8Cl2O3S 1 1016.77 +10924 2688 2M+2Na-H 393910 269.2209264 269.2222039404 338.7496209133787 112.1248832 C6H7FN+ 1 431.58 10925 4002 2M+2Na-H 354598 325.07215999999994 325.070640331507 514.6271429648162 140.05049999999997 C5O5 1 531.63 10927 6380 2M+2Na-H 183447 435.36816 435.3665655613336 920.320844360168 195.1985 C7H5N3O2S 1 581.12 10928 3536 2M+2Na-H 483891 305.17524 305.17493039188196 629.8450460235622 130.10204 C4H6N2O3 1 172.75 +10929 4012 2M+2Na-H 590394 325.1648799999999 325.164053958318 603.695073719243 140.09685999999996 C5H4N2O3 1 534.63 +10930 5707 2M+2Na-H 483980 404.26336 404.2627233421432 485.5645791964919 179.6461 C10H10ClN 1 894.52 +10931 5708 2M+2Na-H 483980 404.26336 404.26381446909204 616.1924932832471 179.6461 C10H10ClN 1 894.52 10932 4925 2M+2Na-H 633143 367.28283999999996 367.2811999617223 938.3824146020279 161.15583999999998 C6H11NO4 1 78.47 10933 4969 2M+2Na-H 486604 369.34816 369.347738389845 712.3302495245753 162.1885 C9H10N2O 1 612.94 10934 9427 2M+2Na-H 260849 629.7209600000001 629.7204909705256 385.5023356020627 292.3749000000001 C19H20N2O 1 637.12 +10935 6152 2M+2Na-H 226645 425.36528 425.36491505403 875.7311738962302 190.19706 C7H14N2O4 1 632.26 +10936 6153 2M+2Na-H 226645 425.36528 425.36726597838856 880.191236847664 190.19706 C7H14N2O4 1 632.26 +10937 9000 2M+2Na-H 368424 592.3201999999999 592.320314188517 483.98632742511734 273.6745199999999 C13H8ClN3O2 1 858.72 +10943 4618 2M+2Na-H 379931 353.21144 353.20970531488825 790.2662730024373 154.12014 C7H6O4 1 497.65 10946 1593 2M+2Na-H 671896 217.07011999999997 217.07119727607926 239.97161310130133 86.04947999999999 C2H2N2O2 1 320.23 +10949 6157 2M+2Na-H 554242 426.1399200000001 426.13941258555064 393.0234085824586 190.58438000000004 C6H7ClN2O3 0 578.22 +10950 6158 2M+2Na-H 554242 426.1399200000001 426.1406697061905 382.07611839623667 190.58438000000004 C6H7ClN2O3 0 578.22 +10951 9105 2M+2Na-H 582968 602.3532399999999 602.3522600524159 651.8558131834241 278.69104 C13H11ClN2O3 0 666.69 10952 9106 2M+2Na-H 582968 602.3532399999999 602.354233934275 666.579784251219 278.69104 C13H11ClN2O3 0 666.69 +10953 7116 2M+2Na-H 405096 471.35244000000006 471.35071663781105 712.6608360947652 213.19064000000003 C8H11N3O4 1 726.51 10954 11916 2M+2Na-H 659900 935.43076 935.4330640418135 491.36338891384185 445.22979999999995 C10H20BrCl3Sn 1 819.34 +10955 4128 2M+2Na-H 801 330.13692 330.1370029653784 482.37802818948126 142.58288 C7H7ClO 1 734.64 +10957 7444 2M+2Na-H 254702 490.31284 490.3104398448691 941.5992627498948 222.67084 C11H11ClN2O 1 729.96 +10958 6070 2M+2Na-H 195921 421.33660000000003 421.3348720997646 1082.1780696767328 188.18272000000002 C10H8N2O2 1 493.61 +10961 12220 2M+2Na-H 326895 986.1666 986.1692555629392 1018.7355952700455 470.59772 C28H38O6 1 889.88 10966 7855 2M+2Na-H 53448 514.2847200000001 514.2832472087282 578.0478112225428 234.65678000000003 C8H7ClO4S 1 783.91 +10967 9636 2M+2Na-H 359175 648.4199199999998 648.4206698123495 819.61574697467 301.7243799999999 C16H12ClNO3 0 1110.01 10970 7139 2M+2Na-H 677125 473.2494992 473.251241045611 833.1562851073816 214.1391696 C7H9F3O4 1 747.94 +10971 9487 2M+2Na-H 427802 633.6599999999999 633.6575765688018 315.35335220252125 294.3444199999999 C19H18O3 1 811.04 +10972 8661 2M+2Na-H 661315 566.31608 566.3146891477815 568.9258781095143 260.67246 C14H9ClO3 1 849.99 +10973 8662 2M+2Na-H 661315 566.31608 566.3164989499732 526.3896993392268 260.67246 C14H9ClO3 1 849.99 10975 5033 2M+2Na-H 505974 372.3476 372.34666132963866 862.8953380188632 163.68822 C8H18ClN 1 236.99 +10977 11647 2M+2Na-H 256481 898.1323199999999 898.1299277627259 938.2208375004861 426.58058 C30H22OSi 1 1211.85 10978 11648 2M+2Na-H 256481 898.1323199999999 898.133538379477 952.0022207539216 426.58058 C30H22OSi 1 1211.85 10979 8175 2M+2Na-H 29382 534.3238799999999 534.3259804312089 684.6127828530181 244.67636 C13H9ClN2O 1 944.67 10980 11538 2M+2Na-H 211718 878.2828399999999 878.28202627004 1076.1472466810048 416.6558399999999 C18H11BrClN3O2 1 1371.91 +10981 2685 2M+2Na-H 262474 269.190002 269.1900943252039 616.7984602231147 112.109421 C6H9P 1 672.71 +10982 7071 2M+2Na-H 340808 469.3135391999999 469.31513850622093 705.184180326226 212.17118959999996 C10H7F3N2 1 686.63 10983 9373 2M+2Na-H 872009 625.9378800000002 625.9355503110111 1096.8133356467692 290.48336000000006 C20H34O 1 1324.97 10988 10500 2M+2Na-H 106523 751.3745999999999 751.3714620624178 245.88469483439997 353.2017199999999 C12H18Cl2N4O4 0 726.51 +10989 4996 2M+2Na-H 556205 371.1656992 371.1674463828248 203.3788133193043 163.0972696 C6H4F3NO 1 702.35 +10990 9744 2M+2Na-H 499093 661.8026399999999 661.8008658082942 265.48414800132906 308.41573999999997 C15H16O3S2 1 665.42 10991 7913 2M+2Na-H 508498 517.298802 517.2997525199593 633.4075320178653 236.163821 C10H9N2O3P 1 476.37 +10992 5410 2M+2Na-H 45751 391.19736000000006 391.1963733579199 447.1856645541517 173.11310000000003 C4H10Cl2OSi 1 909.09 +10993 4204 2M+2Na-H 202055 333.2086528 333.2098022314991 385.7127882780454 144.1187464 C7H6F2O 1 783.6 +10994 12833 2M+2Na-H 293868 1093.1489599999998 1093.152726847101 1005.9906413933921 524.0888999999999 C16H14I2O4 0 927.01 10995 8829 2M+2Na-H 584555 578.3715200000001 578.3709114213043 613.929653275916 266.70018000000005 C12H7ClO3S 1 835.32 +10998 9744 2M+2Na-H 346797 661.8023599999999 661.8008658082942 265.48414800132906 308.4156 C24H20 1 1018.16 +11005 6407 2M+2Na-H 36371 437.21188000000006 437.2131001154939 681.2913389873172 196.12036000000003 C6H4N4O4 0 580.55 +11006 3336 2M+2Na-H 280008 297.27736 297.27839820813335 902.4195315434963 126.1531 C7H10O2 1 640.28 +11007 10061 2M+2Na-H 177789 697.6606799999997 697.6582892006553 986.4213118440144 326.3447599999999 C22H14O3 1 1021 11008 4629 2M+2Na-H 472035 353.34076 353.3406864303473 904.7044510570067 154.1848 C4H10O4S 1 312.54 11009 9069 2M+2Na-H 20637 599.3995620000001 599.4013400756824 836.4305956672241 277.21420100000006 C9H16N3O5P 1 758.24 +11011 9231 2M+2Na-H 274612 613.4119999999998 613.4129639259115 763.1443777409028 284.22041999999993 C15H8O6 1 784.78 +11012 10174 2M+2Na-H 597015 714.21108 714.2131344348195 946.8452885487051 334.61996000000005 C10H9BrClN3OS 1 846.39 11013 6925 2M+2Na-H 345070 461.3384799999999 461.3374978808212 912.551879761659 208.18365999999995 C16H9Li 1 1119.95 +11017 10061 2M+2Na-H 610530 697.6575999999998 697.6582892006553 986.4213118440144 326.34321999999986 C19H18O5 1 845.23 +11019 11982 2M+2Na-H 233503 943.4566 943.4541701917909 377.6953411413409 449.24271999999996 C16H18Cl2N4O7 1 660.21 +11021 1917 2M+2Na-H 350333 233.01108795599998 233.0110029758771 268.97899470502523 94.01996397799999 C2H2O4 1 39.65 +11022 8535 2M+2Na-H 694100 557.4406420000003 557.4431353126487 885.5617551349625 256.2347410000001 C12H17O4P 0 715.42 +11023 5136 2M+2Na-H 33072 377.32556 377.32539454828077 910.3821045728359 166.1772 C8H10N2O2 1 592.39 +11024 8900 2M+2Na-H 233104 584.3397199999999 584.341033964335 615.4803711499796 269.68428 C11H12ClN3O3 1 519.2 +11025 6778 2M+2Na-H 88652 454.27919999999995 454.27913360146636 607.0235698468109 204.65401999999997 C8H13ClN2O2 1 124.55 +11026 8834 2M+2Na-H 564528 578.41488 578.4157021942374 741.8732605547995 266.72186000000005 C10H19ClN2O4 0 576.57 +11027 7696 2M+2Na-H 513670 505.190762 505.1922931530976 516.0071302873923 230.109801 C5H11O8P-- 1 238.36 +11028 9816 2M+2Na-H 517331 669.43948 669.4398492673893 1186.1043166133204 312.23416000000003 C16H19Cl2NO 1 632.34 +11029 9201 2M+2Na-H 251412 611.3766191999998 611.3773250780558 729.0754873762392 283.20272959999994 C13H8F3NO3 1 791.68 +11031 7919 2M+2Na-H 580566 517.3993727999999 517.3992351428333 985.8457457824677 236.21410639999996 C13H10F2O2 1 858.76 +11033 8607 2M+2Na-H 579501 563.5222864 563.5221437128314 1153.6125394377325 259.27556319999997 C15H14FNO2 1 770.85 +11037 7107 2M+2Na-H 167929 471.2467392 471.248882733404 714.5883931043184 213.1377896 C4H2F3N3O2S 1 603.17 +11039 7307 2M+2Na-H 553896 482.32883999999996 482.3307209931199 731.9210281339209 218.67883999999998 C13H11ClO 1 1000.01 +11040 7158 2M+2Na-H 318658 474.27192 474.26968503375076 670.1858162925656 214.65038 C12H7ClN2 1 813.76 +11047 6016 2M+2Na-H 345342 419.21509919999994 419.21658175991683 585.7785493488288 187.12196959999997 C7H4F3N3 1 736.81 +11051 10654 2M+2Na-H 526453 767.2291055999997 767.2279199124881 1187.6112217338627 361.1289727999999 C15H9BrF4O 0 1158.24 11056 10638 2M+2Na-H 497634 765.5203600000002 765.516895270612 680.5626012271125 360.2746000000001 C22H20N2Ti-- 1 941.55 11057 9222 2M+2Na-H 736576 613.1831599999998 613.1827040706863 1054.2475060824518 284.10599999999994 C11H10BrNO3 1 823.38 +11060 5235 2M+2Na-H 670734 383.2504 383.25105450826186 811.3786260243455 169.13962 C9H3N3O 1 719.55 +11063 5476 2M+2Na-H 530777 393.3199264 393.3188997358845 742.6702614681088 174.1743832 C10H7FN2 1 701.83 11069 9506 2M+2Na-H 592903 635.24164 635.244482956189 355.2553024789464 295.13524 C11H11BrN4O 1 714.54 +11070 5171 2M+2Na-H 539655 380.15584 380.15460172441857 409.1468057227806 167.59234 C8H6ClNO 1 704.9 +11071 5470 2M+2Na-H 265791 393.28036 393.2822702153962 725.2692194916555 174.1546 C6H10N2O4 1 123.26 +11072 5136 2M+2Na-H 684783 377.32555999999994 377.32539454828077 910.3821045728359 166.17719999999997 C8H10N2O2 1 580.66 +11073 6150 2M+2Na-H 244553 425.36176 425.36137869994485 1013.3225278704497 190.1953 C11H10O3 1 783.2 +11074 6151 2M+2Na-H 244553 425.36176 425.3625621482428 1017.0141125584921 190.1953 C11H10O3 1 783.2 +11075 8681 2M+2Na-H 355555 568.2921999999999 568.2948129380297 284.85245391020266 261.66051999999996 C13H8ClNO3 0 872.24 11077 7775 2M+2Na-H 265761 509.3621999999999 509.3639208572942 1065.9863536097675 232.19551999999996 C10H8N4O3 0 588.52 11078 3336 2M+2Na-H 31238 297.27736 297.27839820813335 902.4195315434963 126.1531 C7H10O2 1 651.49 +11080 6437 2M+2Na-H 553686 439.1950592 439.1961386951141 549.2662513151345 197.1119496 C6H6F3NO3 1 580.09 11081 4618 2M+2Na-H 426056 353.21144 353.20970531488825 790.2662730024373 154.12014 C7H6O4 1 612.15 11082 9610 2M+2Na-H 301793 645.4969199999998 645.4970393550792 885.1160792441356 300.26287999999994 C16H12O6 0 813.01 11085 11660 2M+2Na-H 476289 899.3704400000004 899.3700708424759 515.584077964767 427.19964000000016 C20H36O2Sn 0 604.67 11086 6058 2M+2Na-H 241495 421.22765280000004 421.2256068690472 434.32342880404127 188.12824640000002 C8H6F2O3 1 724.02 11087 7142 2M+2Na-H 339761 473.281162 473.28026097244106 728.6719587800408 214.155001 C9H11O4P 1 740.58 +11088 4590 2M+2Na-H 480088 351.32804 351.3292429356851 897.8484094844819 153.17844 C8H11NO2 1 716.41 +11092 3054 2M+2Na-H 106412 285.22208639999997 285.221177869832 637.6799105732521 120.1254632 C4H9FN2O 1 456.94 +11093 8889 2M+2Na-H 636635 583.3327199999999 583.3301593145643 682.8418658753378 269.18077999999997 C12H17BrN2 1 435.13 +11094 2781 2M+2Na-H 366209 273.16983999999997 273.16979667103055 517.7002952787391 114.09933999999998 C5H6O3 1 555.93 11095 1592 2M+2Na-H 299339 217.06351999999998 217.0642892116864 203.06614658525493 86.04617999999999 C3H2O3 0 537.37 11096 5058 2M+2Na-H 699775 373.33039999999994 373.3307591643264 981.98044917456 164.17961999999997 C5H8O4S 1 586.78 +11097 5473 2M+2Na-H 81566 393.2970991999999 393.296921066019 1114.7254147453411 174.16296959999994 C9H9F3 1 953.7 +11098 5474 2M+2Na-H 81566 393.2970991999999 393.29797023470167 1004.8150963882769 174.16296959999994 C9H9F3 1 953.7 11100 6013 2M+2Na-H 550258 419.19244 419.1912445962806 406.8210134864232 187.11064 C6H16Cl2N2 1 126.27 +11106 6985 3M+2Na-H 354598 465.12265999999994 465.12492109361244 911.8489024711114 140.05049999999997 C5O5 0 531.63 +11107 11625 3M+2Na-H 418708 894.4541599999998 894.4499613234675 650.718122258398 283.16099999999994 C13H15BrO2 0 1235.38 11111 9799 3M+2Na-H 651724 667.8483799999999 667.8505504356244 736.6195746375621 207.62573999999998 C4H6CaClNO4 1 10.7 +11112 12711 3M+2Na-H 210249 1073.3000599999998 1073.304459996028 1050.123524034819 342.77629999999994 C18H15ClN2O3 1 803.73 +11113 6377 3M+2Na-H 483891 435.27727999999996 435.2763697290339 576.7274901987879 130.10204 C4H6N2O3 0 172.75 11114 8043 3M+2Na-H 35515 525.308543 525.3093894139888 627.0797076605579 160.112461 C8H5N2P 1 726.48 +11115 9669 3M+2Na-H 386452 651.4698800000001 651.4691031078917 1188.6509978083304 202.16624000000002 C10H6N2O3 0 689.99 11116 10386 3M+2Na-H 185833 735.6741895999999 735.6749940794869 321.36816843130316 230.23434319999993 C14H11FO2 1 851.37 11117 10472 3M+2Na-H 528769 748.1993000000002 748.1976834357012 991.6491230591971 234.40938000000006 C14H22OSi 0 1086.96 11120 7956 3M+2Na-H 69705 519.45128 519.4504826475614 1074.6284621519947 158.16003999999998 C8H6N4 1 436.93 11122 12711 3M+2Na-H 506132 1073.30534 1073.304459996028 1050.123524034819 342.7780599999999 C14H19ClN4O4 1 386.34 11123 9944 3M+2Na-H 568518 684.7317800000001 684.7301191519842 405.0248928964918 213.25354000000004 C9H11NO3S 1 666.29 11131 11258 3M+2Na-H 363876 841.1540600000001 841.1515891245359 380.87307887409287 265.3943 C13H15NOS2 0 960.91 +11132 11986 3M+2Na-H 536640 944.2212199999999 944.2171329834903 1100.4651305742027 299.75001999999995 C14H18ClNO4 0 753.05 11138 12068 3M+2Na-H 108702 958.03376 958.0364142119303 519.7337771973206 304.3542 C12H20N10 1 53.29 11139 10416 3M+2Na-H 649081 738.72272 738.7235445060979 1243.2605252881306 231.25052 C12H13N3O2 1 717.64 11140 5907 3M+2Na-H 447643 414.2993599999999 414.30058233454656 637.0289310297069 123.10939999999998 C6H5NO2 1 530.67 +11144 11817 3M+2Na-H 621936 922.3443199999999 922.3459673710279 915.9645737664413 292.45772 C22H28 1 1312.55 +11145 11965 3M+2Na-H 320488 941.26694 941.2686394219675 1054.5401380577705 298.76525999999996 C14H19ClN2O3 1 589.15 +11147 11336 3M+2Na-H 132924 850.3674835999998 850.3704567055586 218.71150313578022 268.46544119999993 C2H5ClF6N2P2 1 798.33 +11148 11090 3M+2Na-H 516961 820.1166199999998 820.1188134602394 931.7748422740805 258.38181999999995 C15H18N2S 1 1024.85 11149 12830 3M+2Na-H 131217 1092.15596 1092.1542971867043 1033.6302303707444 349.0616 C12H15Br2NO 0 845.75 11150 10191 3M+2Na-H 715562 716.0770399999999 716.0789003182135 1043.4692902728905 223.70195999999999 C11H14ClN3 1 111.44 11152 9908 3M+2Na-H 340808 681.4847287999999 681.4838094755407 1083.8619295762455 212.17118959999996 C10H7F3N2 0 686.63 +11153 11782 3M+2Na-H 872009 916.4212400000001 916.4242800580914 512.1532736829735 290.48336000000006 C20H34O 1 1324.97 +11155 3860 3M+2Na-H 475630 318.29834 318.29986889775046 848.2700646951545 91.10906 C3H9NO2 1 206.36 +11156 10688 3M+2Na-H 561088 771.1046695999999 771.10378110126 931.5216382558795 242.04450319999998 C9H5BrFNO 0 762.12 +11161 11920 3M+2Na-H 386413 936.186263 936.1860080836465 974.129042096588 297.071701 C10H11Cl2O4P 0 887.36 +11162 10896 3M+2Na-H 129533 795.85664 795.8578608633475 328.6553519048725 250.29515999999995 C16H14N2O 1 685.74 11165 9441 3M+2Na-H 595620 630.3140983999999 630.3125347060989 675.6271996369551 195.1143128 C7H5F4NO 1 682.18 11166 8623 3M+2Na-H 513488 564.43082 564.4295778417666 1038.2110794998803 173.15321999999998 C3H3N5O2S 0 601.37 11167 9597 3M+2Na-H 725660 644.0723600000001 644.0733432421249 915.8132492074516 199.7004 C9H10ClNS 0 804.99 @@ -2093,6 +5771,7 @@ 11171 12026 3M+2Na-H 291339 951.6980599999997 951.7013137971637 418.3174554077872 302.2422999999999 C13H10N4O5 1 731.72 11172 9053 3M+2Na-H 702326 597.3801488000001 597.3820827890895 716.0887237852323 184.1363296 C5H3F3O2S 0 833.91 11173 7667 3M+2Na-H 430328 502.83344000000005 502.8357565136407 1226.0334340519526 152.62076000000002 C9H9Cl 1 988.89 +11174 11873 3M+2Na-H 79869 928.2632000000001 928.2645206710274 1030.0499033450717 294.43068 C12H22O4S2 0 1196.79 11181 12087 3M+2Na-H 440710 961.2266000000004 961.2277256811509 980.029853950135 305.4184800000001 C16H27N5O 0 866.26 11182 12543 3M+2Na-H 127920 1044.9932600000002 1044.995323705152 391.8416276841848 333.3407 C19H15N3O3 0 844.73 11183 12621 3M+2Na-H 343055 1057.2871400000001 1057.2922417354898 1111.9011311634465 337.43866 C19H19N3OS 0 799.29 @@ -2100,128 +5779,329 @@ 11185 6704 3M+2Na-H 439935 450.34135999999995 450.3408050655638 692.4861422121713 135.12339999999998 C6H5N3O 1 322.63 11186 12731 3M+2Na-H 213761 1076.5325000000003 1076.5344857798186 789.2023556633113 343.85378000000003 C18H22ClN5 1 905 11187 10625 3M+2Na-H 23519 764.19452 764.1913191812353 1012.833343326485 239.74112000000002 C13H18ClNO 1 826.05 +11189 9489 3M+2Na-H 130139 633.83906 633.8416930658517 1215.9088193534576 196.28929999999997 C11H20N2O 1 694.49 11193 12115 3M+2Na-H 127097 968.1580399999998 968.1553674156796 969.9731846486743 307.7289599999999 C15H14ClNO4 1 870.27 +11194 11531 3M+2Na-H 139873 877.1864000000003 877.1828314943566 988.6672741454565 277.40508000000005 C16H27N3O 0 901.46 +11195 11532 3M+2Na-H 139873 877.1864000000003 877.1863200848697 1008.4354028778182 277.40508000000005 C16H27N3O 0 901.46 11198 11900 3M+2Na-H 423989 933.8035999999997 933.7997153599345 788.3064116394041 296.2774799999999 C16H12N2O4 1 816.94 11199 8009 3M+2Na-H 657003 522.339743 522.341185490935 699.3453613134932 159.12286099999997 C6H10NO2P 1 665.09 11202 12805 3M+2Na-H 222139 1087.3214600000003 1087.322277348683 1179.2296147655245 347.4501000000001 C23H25NO2 0 771.87 11203 12249 3M+2Na-H 230113 991.0865000000003 991.0830042507573 973.4574848309883 315.3717800000001 C19H17N5 0 898.73 +11207 12026 3M+2Na-H 5553 951.6980599999997 951.7013137971637 418.3174554077872 302.2422999999999 C13H10N4O5 1 670.1 +11208 6246 3M+2Na-H 383528 429.34892 429.35049294671103 1004.2272972111124 128.12592 C6H8O3 1 573.1 +11210 7739 3M+2Na-H 426056 507.33158 507.33066352059194 629.053731183659 154.12014 C7H6O4 1 612.15 +11212 12384 3M+2Na-H 83819 1013.2019599999999 1013.2056245204961 991.3182864984349 322.74359999999996 C15H15ClN2O4 0 703.54 +11213 10710 3M+2Na-H 398529 774.2289500000002 774.2308620950139 1267.2780102667612 243.08593000000002 C6H14INO 0 633.28 11214 10737 3M+2Na-H 701828 777.05405 777.0513430670242 989.7207599353518 244.02763000000002 C5H9IO3 0 608.09 +11215 11645 3M+2Na-H 701265 897.90068 897.8988173398177 433.91728061846646 284.30983999999995 C16H16N2O3 1 571.46 +11216 11779 3M+2Na-H 734371 916.1727799999999 916.1753134859283 300.78080355611354 290.4005399999999 C17H26N2O2 0 585.67 +11220 11155 3M+2Na-H 276496 829.0537400000001 829.0503653840115 293.5002487631042 261.36086 C19H19N 1 1017.68 11221 11394 3M+2Na-H 378473 857.8893260000002 857.8899921423327 296.8508136625932 270.97272200000003 C4H10Cl2O5P2 1 613.39 11222 11752 3M+2Na-H 40326 912.6359630000002 912.6314216486294 713.0939263614953 289.2216010000001 C11H16NO6P 0 808.82 +11224 9339 3M+2Na-H 553532 621.43094 621.431417148473 941.5743406987237 192.15326000000002 C3H4N4O4S 0 565.91 +11225 11842 3M+2Na-H 167449 924.4386199999999 924.4394871392323 557.2697533731433 293.15581999999995 C14H13BrO2 0 1020.44 +11233 5883 M+2Na-H 58923 413.3079999999998 413.3088212489049 720.0974291245415 368.3368399999998 C20H16O7 1 701.26 11235 2513 M+2Na-H 638414 262.2363999999999 262.2376945251248 1023.4639204793503 217.26523999999992 C16H11N 1 931.23 +11236 3082 M+2Na-H 284926 286.25626 286.25621342482526 476.36129367541014 241.28510000000003 C15H15NO2 1 607.23 +11241 4526 M+2Na-H 174367 348.26442 348.2659885419211 951.8448722080403 303.29326 C13H9N3O4S 1 648.68 11242 1163 M+2Na-H 70259 192.10526 192.1054513830712 323.7206921846609 147.1341 C7H5N3O 1 550.13 +11244 2557 M+2Na-H 378945 264.16462 264.1633553606918 487.84636108389 219.19346 C11H9NO4 1 597.54 +11252 1431 M+2Na-H 486604 207.15966 207.15911731639136 1130.042187484385 162.1885 C9H10N2O 1 612.94 11254 4882 M+2Na-H 391249 365.21851999999996 365.2168423187253 463.0464370248055 320.24735999999996 C15H14BrNS 1 1019.77 +11256 2718 M+2Na-H 579717 270.2138 270.21472079441287 720.0515804233746 225.24264 C14H11NO2 1 780.8 +11259 1624 M+2Na-H 539591 218.13924 218.1388590875944 342.45098254711934 173.16808 C10H7NO2 1 398.61 11260 3614 M+2Na-H 579933 308.18578959999996 308.1856405193376 491.9866648264838 263.21462959999997 C14H8F3NO 0 871.37 11263 2201 M+2Na-H 102025 248.0709864 248.06995023990783 249.67196943832565 203.0998264 C7H3F2NO4 1 655.68 +11264 1019 M+2Na-H 47679 184.07996 184.07910725550948 282.18558827642323 139.1088 C6H5NO3 1 548.01 +11265 1818 M+2Na-H 54002 228.17888000000002 228.17861647297093 338.16765971588035 183.20772000000002 C8H13N3O2 1 571.51 +11267 9104 M+2Na-H 615242 602.3154399999999 602.316549634827 685.1450123816066 557.3442799999998 C30H42NiO6 1 975.47 +11275 2052 M+2Na-H 128068 240.16636 240.1674698632438 596.4988626010579 195.1952 C8H5NO3S 1 559.65 +11276 2423 M+2Na-H 405096 258.1618 258.1606420347713 670.4181887210148 213.19064000000003 C8H11N3O4 1 726.51 +11277 1751 M+2Na-H 588691 225.2213 225.22137886581652 816.3972035742171 180.25014000000002 C9H16N4 1 151.75 11278 7773 M+2Na-H 435206 509.34745999999984 509.3469506531835 795.8374079595146 464.37629999999984 C21H20O12 1 660.88 11279 4207 M+2Na-H 411488 333.24776100000014 333.2461264388446 496.6369054859971 288.27660100000014 C13H21O5P 1 723.39 +11282 4095 M+2Na-H 563023 328.3193799999999 328.3205491324416 837.0800985315635 283.3482199999999 C15H13N3OS 1 866.71 +11283 1338 M+2Na-H 638356 202.14314 202.14384080378878 457.2547568369144 157.17198 C9H7N3 1 601.46 +11287 2470 M+2Na-H 281719 260.22227999999996 260.2222267002179 589.4026139707607 215.25111999999996 C12H13N3O 1 616.76 +11290 7165 M+2Na-H 379500 475.1596783999998 475.1593523122324 467.08076729299665 430.1885183999998 C6H2F12O4S2 1 620.54 11291 2161 M+2Na-H 233370 245.22598000000002 245.22640231110657 836.3203526607084 200.25482000000002 C10H18NO3 1 700.98 +11292 2723 M+2Na-H 630676 270.27846 270.27910343784094 922.5520317157317 225.30730000000003 C11H15NO2S 1 982.37 +11293 2642 M+2Na-H 665728 267.23146 267.23165317836816 945.6583281430356 222.26030000000003 C11H10O3S 1 797.1 +11294 2684 M+2Na-H 230852 269.18598 269.18570179122963 388.7184757744065 224.21481999999997 C13H8N2O2 1 596.14 +11301 7246 M+2Na-H 241916 479.2292887999999 479.22707242786396 561.6074473051889 434.2581287999999 C12H15F9N4O3 0 663.23 11302 7247 M+2Na-H 241916 479.2292887999999 479.229890195554 483.8547295784748 434.2581287999999 C12H15F9N4O3 0 663.23 11304 4970 M+2Na-H 21866 369.38308 369.3838656051831 950.8926078943247 324.41192 C18H28O5 1 1098.61 11305 3639 M+2Na-H 410826 309.13212 309.13351359405226 527.0513280703216 264.16096 C13H14BrN 1 945.01 +11307 2563 M+2Na-H 352444 264.25404 264.25336395929776 818.7325813498362 219.28287999999998 C12H17N3O 1 589.15 +11308 2904 M+2Na-H 382365 279.17926 279.17982337075284 508.60348849109334 234.2081 C11H10N2O4 1 666.46 +11310 1496 M+2Na-H 849101 211.14506 211.14410013266047 353.1862009792916 166.1739 C9H10O3 1 680.8 +11312 8128 M+2Na-H 662246 531.2979200000002 531.299206464521 605.6193721319182 486.32676000000015 C22H34Br2N2 1 1272.12 11314 3536 M+2Na-H 274506 305.17348 305.17493039188196 629.8450460235622 260.20232 C12H8N2O5 1 462.94 +11315 2766 M+2Na-H 67318 272.22968000000003 272.22984522078815 812.4507673889622 227.25852 C14H13NO2 1 872.04 +11318 1586 M+2Na-H 557396 216.16817999999998 216.1674205170698 609.1589920342983 171.19701999999998 C7H13N3O2 1 382.23 +11319 1305 M+2Na-H 501686 201.06412 201.06365638270788 1131.6368253451142 156.09296 C6H4O5 1 603.27 11324 1218 M+2Na-H 412295 196.09065999999999 196.09111758675266 732.0691604455412 151.1195 C7H5NO3 1 433.7 11327 2034 M+2Na-H 84739 239.20152 239.20057379745273 651.6286958082675 194.23036 C10H14N2O2 1 685.03 +11328 3336 M+2Na-H 403018 297.2789 297.27839820813335 902.4195315434963 252.30774000000002 C17H16O2 1 1147.44 11329 3440 M+2Na-H 290998 301.25273999999996 301.2529159718673 740.5858844997042 256.28157999999996 C9H12N4O3S 1 697.53 11330 4866 M+2Na-H 403086 364.3068799999999 364.3054958495055 879.8054005630437 319.3357199999999 C14H13N3O4S 1 666.8 11335 1693 M+2Na-H 536525 222.17100000000002 222.16994811413852 322.1173909478825 177.19984000000002 C10H11NO2 1 739.05 11338 4425 M+2Na-H 128227 343.26781999999986 343.2672647889252 698.7259187656987 298.29665999999986 C15H14N4O3 1 736.96 +11339 6470 M+2Na-H 494519 440.2658023999998 440.2639862006179 557.6898999654067 395.2946423999998 C16H8F7NOS 1 723.76 11340 3381 M+2Na-H 357352 299.23686 299.2366848587552 628.1765321675205 254.26569999999998 C9H10N4O3S 1 615.29 +11343 6022 M+2Na-H 733058 419.31622000000004 419.3156546938412 1094.6884551755315 374.34506000000005 C19H29Cl2NO2 1 901.37 +11344 1477 M+2Na-H 571542 210.12384 210.12373724183024 233.42529493464284 165.15268 C6H7N5O 1 297.37 11346 2423 M+2Na-H 434588 258.16179999999997 258.1606420347713 670.4181887210148 213.19064 C8H11N3O4 1 50.17 +11347 4095 M+2Na-H 228314 328.31937999999997 328.3205491324416 837.0800985315635 283.34821999999997 C15H13N3OS 1 754.5 +11349 5010 M+2Na-H 177789 371.3159199999999 371.315094381972 1095.6975825113987 326.3447599999999 C22H14O3 1 1021 +11352 1929 M+2Na-H 478525 233.17218 233.17308265786411 691.5994987889758 188.20102 C7H8O4S 1 635.55 +11353 4545 M+2Na-H 533128 349.2690999999999 349.2698456119605 220.12343865210818 304.2979399999999 C15H16N2O5 1 643.14 11354 5487 M+2Na-H 220366 394.20886 394.2070681331173 499.61450017944304 349.2377 C15H10Cl2N4S 1 1001.01 11355 3982 M+2Na-H 506223 324.1004 324.10072743873343 211.49087275448295 279.12924 C13H11BrO2 0 935.02 11356 2319 M+2Na-H 345070 253.15481999999994 253.15462255461603 418.730786002565 208.18365999999995 C16H9Li 1 1119.95 11357 4083 M+2Na-H 46338 328.12104 328.12109022386466 426.87247691260154 283.14988 C14H12Cl2O2 1 901.39 11358 1928 M+2Na-H 487839 233.15388000000002 233.1534942301812 513.2898962729495 188.18272000000002 C10H8N2O2 1 742.63 +11359 2212 M+2Na-H 857635 248.16852 248.16802502968 624.4797589467016 203.19736 C10H9N3O2 1 438.9 +11360 4936 M+2Na-H 570079 368.167681 368.1694884467217 380.86822612966927 323.196521 C9H14N3O8P 1 195.8 +11361 3177 M+2Na-H 409741 290.24496 290.2455187241061 901.196670943718 245.27379999999997 C14H15NO3 1 683.11 +11362 5110 M+2Na-H 446587 376.2333927999999 376.23256002907766 529.6378676773547 331.2622327999999 C15H13F4NO3 0 933.11 11364 4022 M+2Na-H 637237 325.24769999999995 325.2482814238154 469.0278225983089 280.27653999999995 C13H16N2O5 1 426.68 +11366 3486 M+2Na-H 227626 303.2156031999999 303.21636693446874 585.8365715949037 258.2444431999999 C15H11FO3 1 928.94 +11373 5527 M+2Na-H 344863 395.29931999999997 395.2983294854765 776.379949506558 350.32815999999997 C18H14N4O4 1 752.27 +11374 2804 M+2Na-H 579751 274.22564 274.2246312706707 698.9127708562685 229.25448 C12H7NO2S 1 699.26 +11375 3621 M+2Na-H 633027 308.2784831999999 308.27942630053616 825.9409864954948 263.3073231999999 C15H18FNO2 1 810.3 11376 5618 M+2Na-H 111220 400.2314799999998 400.2312608921702 606.3010835835116 355.2603199999998 C12H13N5O8 1 410.62 11378 917 M+2Na-H 287460 179.10649999999998 179.10691349237285 493.08265708425677 134.13533999999999 C7H6N2O 1 502.48 +11379 2764 M+2Na-H 101471 272.20822 272.2090531215715 681.089639027399 227.23706 C9H9NO4S 1 651.11 +11380 1834 M+2Na-H 702326 229.1074896 229.10705428696446 377.6618151731436 184.1363296 C5H3F3O2S 1 833.91 +11381 1695 M+2Na-H 531246 222.19259999999997 222.1933365422959 590.6138451437909 177.22143999999997 C6H11NO3S 1 698.15 11388 2190 M+2Na-H 597508 247.13256 247.13309843447323 544.4993681173037 202.16140000000001 C8H10O6 1 634.28 +11389 2684 M+2Na-H 211673 269.18444 269.18570179122963 388.7184757744065 224.21328000000003 C10H12N2O4 1 632.79 +11390 3930 M+2Na-H 57616 321.2174799999999 321.2171541597469 623.5785211798537 276.2463199999999 C16H8N2O3 1 917.75 +11391 2949 M+2Na-H 580566 281.18526639999993 281.185688701175 429.06325770329903 236.21410639999996 C13H10F2O2 1 858.76 +11392 3516 M+2Na-H 579501 304.24672319999996 304.24797314374496 997.7065342392796 259.27556319999997 C15H14FNO2 1 770.85 11394 4234 M+2Na-H 479123 334.30235999999996 334.3025205583413 917.3850747162303 289.33119999999997 C18H15N3O 1 646.25 11395 2718 M+2Na-H 209231 270.21379999999994 270.21472079441287 720.0515804233746 225.24263999999994 C14H11NO2 1 796.52 11396 2001 M+2Na-H 399643 237.18563999999998 237.18503729559856 583.2863299773605 192.21447999999998 C10H12N2O2 1 699.2 +11397 2416 M+2Na-H 167929 258.10894959999996 258.1088474092594 196.90326936037764 213.1377896 C4H2F3N3O2S 1 603.17 11400 2214 M+2Na-H 657533 248.18682 248.1856149511282 517.2873219235848 203.21566 C7H9NO4S 1 829.84 +11401 3160 M+2Na-H 116846 289.21714 289.21617168577785 608.7560461428668 244.24597999999995 C13H12N2O3 1 658.58 +11404 3883 M+2Na-H 728122 319.2431199999999 319.2434055904727 790.5378219669113 274.2719599999999 C14H14N2O4 1 806.53 +11406 1915 M+2Na-H 195210 232.19071999999997 232.1910801426402 424.9968761043406 187.21955999999997 C6H9N3O2S 1 443.04 11407 5496 M+2Na-H 143900 394.29592099999996 394.2951638475308 762.2091446528194 349.32476099999997 C15H20N5O3P 1 862.01 +11408 1586 M+2Na-H 140749 216.16642 216.1674205170698 609.1589920342983 171.19526 C11H9NO 1 686.59 11411 1415 M+2Na-H 7199 206.98776 206.98804517159869 1277.7067352961021 162.0166 C6H5Cl2N 1 721.41 11413 681 M+2Na-H 295296 166.10773999999998 166.1073464800472 170.17534839310053 121.13658 C7H7NO 1 273.06 +11422 4242 M+2Na-H 316958 335.11521999999997 335.11601948217685 273.2045473015396 290.14405999999997 C15H9Cl2NO 1 1280.36 +11425 3679 M+2Na-H 138184 311.09382 311.0949188798929 315.0735562426109 266.12266 C13H9Cl2NO 1 949.53 11427 1771 M+2Na-H 512136 226.163 226.16297246530394 431.2271480477947 181.19184 C8H11N3O2 1 474.33 11428 2785 M+2Na-H 387391 273.21773999999994 273.2172363491564 497.7078400614246 228.24657999999997 C13H12N2O2 1 699.78 +11429 3623 M+2Na-H 532047 308.67245999999994 308.6714766375025 521.6079853247154 263.70129999999995 C8H10ClN3O3S 1 545.22 +11431 1660 M+2Na-H 204405 220.15512 220.15451251384206 426.41332609004553 175.18396 C10H9NO2 1 550.49 +11433 2433 M+2Na-H 323495 259.07344 259.0745685735385 229.86071985317668 214.10228 C9H12BrN 1 670.35 +11435 3933 M+2Na-H 207268 321.25899999999996 321.2590045401033 782.4866390421078 276.28783999999996 C14H16N2O4 1 678.26 11436 228 M+2Na-H 349793 134.068934838 134.0684237117552 450.75299946994795 89.09777483799999 C4H8O2 1 483.46 +11437 3226 M+2Na-H 424722 292.22438 292.22576568830385 737.9679109715869 247.25321999999997 C11H13N5O2 1 601.33 +11439 2464 M+2Na-H 513018 260.17592 260.1761856054205 703.9277169467753 215.20476000000002 C12H9NO3 1 503.93 +11440 1162 M+2Na-H 437704 192.10196 192.10201494665657 335.957096818511 147.1308 C8H5NO2 1 690.78 11441 1660 M+2Na-H 139371 220.15512 220.15451251384206 426.41332609004553 175.18396 C10H9NO2 1 623.19 +11442 4066 M+2Na-H 728772 327.21721999999994 327.216295718777 626.898019527538 282.24605999999994 C13H14O7 1 729.78 11443 2557 M+2Na-H 281976 264.16462 264.1633553606918 487.84636108389 219.19346000000002 C11H9NO4 1 725.37 11444 7148 M+2Na-H 130249 473.3963 473.39771923365436 1092.434252617157 428.42514 C17H16N8O4S 1 623.1 11445 2558 M+2Na-H 220326 264.16792 264.16749557783504 560.9235201078059 219.19675999999998 C10H9N3O3 1 632.07 11446 1962 M+2Na-H 488364 235.1335296 235.13296978874638 555.6377133842467 190.1623696 C9H9F3O 1 878.38 +11447 996 M+2Na-H 553358 182.1535 182.15409982550702 660.4448747607919 137.18234 C7H11N3 1 533.07 11448 11255 M+2Na-H 331442 840.9871200000005 840.9912032228895 496.3582206801403 796.0159600000005 C36H69N13O7 0 679.43 +11452 2093 M+2Na-H 56287 242.1591 242.15831117980562 265.9273247449258 197.18794 C9H11NO4 1 519.44 11453 4955 M+2Na-H 110608 369.17296 369.17357002354134 499.8203118111594 324.2018 C16H15Cl2NO2 1 948.33 11455 6022 M+2Na-H 632220 419.3141199999999 419.3156546938412 1094.6884551755315 374.3429599999999 C22H14O6 1 848.61 +11461 2690 M+2Na-H 414489 269.24734 269.24737046956244 1016.4474057404693 224.27618000000004 C11H12O3S 1 742.3 11463 7408 M+2Na-H 658435 488.3366399999998 488.3350581005733 861.3872153074399 443.3654799999998 C22H12Cl2O2S2 1 1215.07 11464 7409 M+2Na-H 658435 488.3366399999998 488.3365093930538 842.772635475262 443.3654799999998 C22H12Cl2O2S2 1 1215.07 +11465 4550 M+2Na-H 135625 350.1331600000001 350.13272118643215 276.0163418363112 305.1620000000001 C14H10Cl2N4 1 983.14 +11471 2535 M+2Na-H 94000 263.17985999999996 263.1795751651422 811.0508215120199 218.2087 C11H10N2O3 1 623.46 +11472 4579 M+2Na-H 704454 351.18082 351.1800459014571 592.5132329973906 306.20966 C15H9Cl2NS 0 1280.76 +11473 7431 M+2Na-H 864995 490.20744199999996 490.2070171248199 603.8898344882864 445.23628199999996 C11H19N4O11P2- 1 621.59 +11477 2787 M+2Na-H 320380 273.2575 273.25753914814254 907.5091304401626 228.28634 C15H16O2 1 1162.49 +11478 2256 M+2Na-H 500266 250.1811 250.1815953727546 373.2698391402929 205.20994 C11H11NO3 1 664.61 +11479 1431 M+2Na-H 301999 207.15966 207.15911731639136 1130.042187484385 162.1885 C9H10N2O 1 453.34 +11483 3203 M+2Na-H 124083 291.23302 291.2316722558007 714.3976314515568 246.26185999999998 C13H14N2O3 1 704.17 +11484 1641 M+2Na-H 389173 219.12246000000002 219.1229779310937 426.0989888254333 174.15130000000002 C7H10O5 0 652.7 +11485 1420 M+2Na-H 205891 207.06479319999997 207.06539792750772 408.7583742660132 162.09363319999997 C7H4FNaO2 0 656.43 +11486 3230 M+2Na-H 592827 292.28398000000004 292.28442714286837 882.0281560140897 247.31282000000002 C13H13NO2S 1 673.89 +11487 2449 M+2Na-H 334069 259.19115999999997 259.1904833078221 612.2628819413504 214.21999999999997 C12H10N2O2 1 660.7 +11488 1260 M+2Na-H 480088 198.1496 198.14918145856552 380.60330383859895 153.17844 C8H11NO2 1 716.41 +11489 2214 M+2Na-H 299714 248.18681999999998 248.1856149511282 517.2873219235848 203.21565999999999 C7H9NO4S 1 65.14 +11490 2354 M+2Na-H 243884 255.12162960000003 255.12275955879238 519.7737719631835 210.15046960000004 C8H9F3O3 1 693.38 +11499 1162 M+2Na-H 251673 192.10196 192.10201494665657 335.957096818511 147.1308 C8H5NO2 1 633.94 11500 3175 M+2Na-H 121211 290.22014319999994 290.2195867145069 608.0827370276083 245.24898319999994 C14H12FNO2 1 821.87 +11501 2034 M+2Na-H 477775 239.20152000000002 239.20057379745273 651.6286958082675 194.23036000000002 C10H14N2O2 1 597.77 11502 4022 M+2Na-H 505962 325.24923999999993 325.2482814238154 469.0278225983089 280.27807999999993 C16H12N2O3 1 936.51 +11503 7220 M+2Na-H 433330 477.39325999999966 477.3927481775738 1049.4029785460207 432.42209999999966 C25H20O7 1 884.86 11507 5137 M+2Na-H 583496 377.34539999999987 377.34506461008505 940.1957216635375 332.3742399999999 C16H16N2O4S 1 601.85 +11508 5141 M+2Na-H 631574 378.17752000000013 378.17580449522126 422.6368379279957 333.20636000000013 C13H9BrN4S 0 733.14 +11509 6869 M+2Na-H 661077 458.21977999999984 458.22199808732773 495.75323654784455 413.24861999999985 C19H18Cl2O6 0 880.83 11512 3804 2M+2Na 227007 316.137218 316.13846347327427 472.9286778187076 293.148 C14H10Cl2N2O 1 989.46 +11514 4717 2M+2Na 98329 357.227358 357.22598222511033 648.102033981841 334.23814 C15H21Cl2NO3 1 1042.81 +11516 628 2M+2Na 354598 163.03971799999997 163.039235353702 665.168212861766 140.05049999999997 C5O5 1 531.63 11518 2351 2M+2Na 595776 255.10544760000002 255.10547901732946 404.7661186958999 232.11622960000003 C8H3F3N2O3 1 776.4 +11519 2321 2M+2Na 635904 253.190458 253.19105358715527 540.7382661196519 230.20124 C6H6N4O4S 1 653.47 +11520 3720 2M+2Na 702285 312.31711799999994 312.3167298654852 945.7978382813568 289.32789999999994 C19H15NO2 1 1011.86 11523 5485 2M+2Na 212516 394.195658 394.1974724567276 485.63561724783665 371.20644 C13H11BrN2O4S 1 835.03 11524 490 2M+2Na 483891 153.09125799999998 153.09113782291791 457.85323406527135 130.10204 C4H6N2O3 1 172.75 +11525 1007 2M+2Na 35515 183.101679 183.10175032956187 456.36646225132625 160.112461 C8H5N2P 1 726.48 +11526 2095 2M+2Na 378945 242.18267799999998 242.1829537324827 593.3222309298056 219.19346 C11H9NO4 1 597.54 +11527 5586 2M+2Na 96094 398.2440379999999 398.24451200512465 880.0875039315945 375.2548199999999 C16H23BrO5 1 1042.64 +11528 5587 2M+2Na 96094 398.2440379999999 398.24557514119556 888.1799060362002 375.2548199999999 C16H23BrO5 1 1042.64 +11529 321 2M+2Na 299949 141.12821283799997 141.12751845941506 508.4331448241875 118.13899483799997 C5H11NO2 1 225.08 11530 1027 2M+2Na 633143 184.14505799999998 184.1447291331107 189.3511596768827 161.15583999999998 C6H11NO4 1 78.47 +11532 1150 2M+2Na 251020 191.178998 191.17949506160525 664.3321074066803 168.18978 C9H12O3 1 700.59 11537 5324 2M+2Na 851783 387.2927579999999 387.2928466828977 668.9612940200735 364.3035399999999 C17H16O9 1 655.96 11538 5694 2M+2Na 660832 403.3218979999998 403.3208919282922 749.3613816479217 380.3326799999998 C14H12N4O7S 1 735.63 +11539 4266 2M+2Na 380707 336.18103800000006 336.17994175198055 504.3624773620597 313.19182000000006 C16H13BrN2 1 1165.4 +11540 2198 2M+2Na 338891 247.242258 247.24185140196192 875.365671891149 224.25304 C12H16O4 1 851.86 11541 1643 2M+2Na 307448 219.149338 219.14920439303773 603.7324272431205 196.16012 C8H8N2O4 1 523.5 11542 1644 2M+2Na 307448 219.149338 219.14942277118823 1270.3470600982441 196.16012 C8H8N2O4 1 523.5 +11545 1508 2M+2Na 203625 212.09895079999998 212.09968439391412 432.83818893556486 189.1097328 C8H3F4N 1 828.35 11550 6845 2M+2Na 241916 457.2473467999999 457.2451008312628 536.8309412696414 434.2581287999999 C12H15F9N4O3 1 663.23 11552 3684 2M+2Na 196682 311.1324771999999 311.13103531219286 411.5935608323175 288.14325919999993 C10H6F6O3 1 844.76 11553 3097 2M+2Na 410826 287.150178 287.14896583985995 456.709984404163 264.16096 C13H14BrN 1 945.01 11554 2443 2M+2Na 203915 259.13390760000004 259.1330839354588 604.1913314769471 236.14468960000002 C9H7F3O4 1 818.01 +11555 1608 2M+2Na 239668 217.196358 217.19527811877344 692.9425097154417 194.20714 C9H6O3S 1 723.85 +11556 2688 2M+2Na 584139 269.2229612 269.2222039404 338.7496209133787 246.23374319999996 C14H11FO3 1 719.12 +11558 3231 2M+2Na 484803 292.329018 292.32919126992783 780.8736704094019 269.3398 C20H15N 1 1089.36 +11560 295 2M+2Na 594091 139.147498 139.14810785131914 648.9665831901644 116.15828 C6H12O2 1 330.44 +11561 7772 2M+2Na 662246 509.31597800000014 509.3145568797002 747.0927714690772 486.32676000000015 C22H34Br2N2 1 1272.12 11563 6438 2M+2Na 669000 439.2092780000001 439.208487272878 321.0619861008411 416.2200600000001 C19H39NOSn 1 596.9 +11564 2555 2M+2Na 660217 264.143938 264.14306731025636 366.41987898883195 241.15472 C10H18Cl2O2 1 1139.89 +11565 914 2M+2Na 501686 179.082178 179.081764330857 509.2118740875697 156.09296 C6H4O5 1 603.27 11567 709 2M+2Na 31252 167.11783799999998 167.11786275398447 995.4852283067007 144.12861999999998 C5H8N2O3 1 608.9 11572 5107 2M+2Na 106523 376.1909379999999 376.18981608702217 365.5740820945274 353.2017199999999 C12H18Cl2N4O4 1 726.51 11573 4793 2M+2Na 709795 361.12962799999997 361.13124698144384 314.8127176346871 338.14041 C14H11IO2 1 1268.39 +11574 5347 2M+2Na 392415 388.3403876 388.3420665190532 996.6195190637203 365.3511696 C21H14F3N3 1 1034.34 +11582 2154 2M+2Na 312022 245.15698759999995 245.15731614907358 300.33450861011215 222.16776959999996 C7H9F3N4O 1 693.93 +11584 2410 2M+2Na 738158 257.266818 257.26680474356044 903.3543243337456 234.27759999999998 C10H10N4OS 1 627.31 11585 5569 2M+2Na 733058 397.33427800000004 397.3353087666703 832.710694284094 374.34506000000005 C19H29Cl2NO2 1 901.37 +11587 1818 2M+2Na 669589 228.17764119999998 228.17861647297093 338.16765971588035 205.1884232 C10H8FN3O 1 651.86 11591 5484 2M+2Na 183176 394.195658 394.1964204313557 449.0838843844151 371.20644 C13H11BrN2O4S 1 823.16 11592 5485 2M+2Na 183176 394.195658 394.1974724567276 485.63561724783665 371.20644 C13H11BrN2O4S 1 823.16 +11593 2688 2M+2Na 578960 269.2229612 269.2222039404 338.7496209133787 246.23374319999996 C14H11FO3 1 814.63 +11594 4072 2M+2Na 533128 327.2871579999999 327.2885223943134 932.1895427205701 304.2979399999999 C15H16N2O5 1 643.14 +11600 4479 2M+2Na 570079 346.185739 346.185791329022 418.923276596216 323.196521 C9H14N3O8P 1 195.8 +11601 2664 2M+2Na 409741 268.263018 268.2632979752226 854.6279782018773 245.27379999999997 C14H15NO3 1 683.11 +11606 4426 2M+2Na 512949 343.284938 343.2841924454914 677.8178298871323 320.29572 C10H8O8S2 1 523.92 +11607 2723 2M+2Na 418018 270.27889799999997 270.27910343784094 922.5520317157317 247.28967999999998 C14H17NO3 1 685.73 +11608 3210 2M+2Na 588237 292.08387799999997 292.08381075019014 357.20437228481785 269.09466 C10H9BrN2O2 1 796.19 +11609 3664 2M+2Na 490257 310.13891799999993 310.13941080614524 269.7723874580954 287.14969999999994 C12H15BrO3 1 918.77 +11612 3568 2M+2Na 251412 306.19194759999993 306.1911180834354 524.0891626047774 283.20272959999994 C13H8F3NO3 1 791.68 +11617 1165 2M+2Na 126699 192.123998 192.12328803334805 350.8945150360352 169.13478 C7H7NO4 1 661.04 +11618 4507 2M+2Na 855601 347.31655799999993 347.31498552297774 917.4865609397782 324.32733999999994 C19H16O5 1 764.12 +11619 295 2M+2Na 7781 139.14749799999998 139.14810785131914 648.9665831901644 116.15827999999999 C6H12O2 1 721.88 11620 3097 2M+2Na 435672 287.15017800000004 287.14896583985995 456.709984404163 264.16096000000005 C13H14BrN 1 784.59 +11621 3068 2M+2Na 314255 286.12235799999996 286.122051392242 307.45415730217985 263.13313999999997 C12H11BrN2 1 733.5 +11622 3335 2M+2Na 728122 297.2611779999999 297.2613755993732 801.673075661711 274.2719599999999 C14H14N2O4 1 806.53 11623 3077 2M+2Na 710329 286.192178 286.1918853506461 414.6733969999725 263.20296 C12H9NO6 1 732.56 11624 7253 2M+2Na 136840 479.3898779999998 479.3918304051431 985.1592290792412 456.4006599999998 C19H24N2O11 1 869.23 11625 4871 2M+2Na 517739 364.960848 364.9623052317817 1241.5087378518324 341.97163 C8H9BrINO 1 655.91 +11627 3009 2M+2Na 262187 284.1134812 284.11274043545376 411.37306400589165 261.12426320000003 C6H4FN5O6 1 621.64 +11630 868 2M+2Na 632831 176.12789799999996 176.12830470403452 227.745367409059 153.13867999999997 C6H7N3O2 1 256.82 +11632 4678 2M+2Na 224832 355.3667579999999 355.36832556045573 986.0688798125442 332.3775399999999 C15H16N4O3S 1 710.3 +11633 1925 2M+2Na 118950 233.12147079999994 233.1207228448762 398.15013608996446 210.13225279999995 C6H6F4N4 1 344.43 11636 3732 2M+2Na 316958 313.13327799999996 313.1326942169696 253.73975835316762 290.14405999999997 C15H9Cl2NO 1 1280.36 11637 4318 2M+2Na 201607 338.2667379999999 338.26821672167034 725.1323262762153 315.2775199999999 C16H13NO6 1 766.24 11638 6409 2M+2Na 118697 437.23594359999976 437.2351808902497 514.530665148758 414.24672559999976 C17H10F8O3 1 1262.75 11639 6410 2M+2Na 118697 437.23594359999976 437.2376401676642 632.3137810393494 414.24672559999976 C17H10F8O3 1 1262.75 11640 1559 2M+2Na 395178 215.0781308 215.07739609600122 215.79059465739442 192.0889128 C3F4O3S 1 761.21 11644 2491 2M+2Na 579790 261.20580119999994 261.20612888330527 660.0402570515682 238.21658319999995 C14H7FN2O 1 774.35 +11646 3383 2M+2Na 207268 299.27705799999995 299.2773480579938 815.5132146132555 276.28783999999996 C14H16N2O4 1 678.26 +11647 1750 2M+2Na 33110 225.196978 225.19619238008187 1019.2596478886063 202.20776 C8H14N2O4 1 132.28 +11649 2427 2M+2Na 421835 258.185378 258.1854135531877 735.5462991687191 235.19616000000002 C10H9N3O4 1 713.71 +11652 5236 2M+2Na 497634 383.26381800000007 383.2619258379357 610.0879392751368 360.2746000000001 C22H20N2Ti-- 1 941.55 +11654 3598 2M+2Na 230948 307.26105799999993 307.2601887672122 860.7165222107184 284.27183999999994 C10H16N6O4-- 1 683.23 +11657 10875 2M+2Na 259708 793.2390580000002 793.2371707312354 1011.8101673936851 770.2498400000002 C39H36ClN5O8S 1 1053.21 +11659 4946 2M+2Na 142310 368.38059799999996 368.379696166276 1097.6195189140435 345.39137999999997 C15H27N3O6 1 432.33 11662 2013 2M+2Na 428165 238.1428044 238.1439351984876 481.4472615198604 215.1535864 C9H7F2NO3 1 703.58 +11664 8245 2M+2Na 218909 538.192241 538.1903445407279 431.80947728948854 515.2030229999999 C12H16N5O12P3 1 596.76 11667 1662 2M+2Na 56287 220.177158 220.1779682343332 599.4562909797244 197.18794 C9H11NO4 1 519.44 +11668 4498 2M+2Na 110608 347.191018 347.19211394428754 285.99117500336706 324.2018 C16H15Cl2NO2 1 948.33 11669 2569 2M+2Na 610152 265.045878 265.0468798050639 329.7743176161849 242.05666000000002 C7H9Cl2NO4 1 845.42 +11670 5290 2M+2Na 641807 386.18202759999986 386.18144417846827 603.9664111487801 363.19280959999986 C14H10BrF3OS 1 1295.91 +11674 1534 2M+2Na 244553 213.184518 213.18497052495945 573.132548336717 190.1953 C11H10O3 1 783.2 11677 2987 2M+2Na 289581 283.124999 283.12520159185226 395.1749909086776 260.135781 C6H13O9P 1 243.93 11678 4144 2M+2Na 493143 330.3356979999999 330.3362778997565 1012.5091908595028 307.34647999999993 C18H17N3O2 1 671.59 +11679 5531 2M+2Na 869517 395.40593799999994 395.40698197432664 1029.0075117342958 372.41671999999994 C16H28N4O6 1 582.88 11680 7047 2M+2Na 864995 468.22549999999995 468.22558469966276 688.7033476772242 445.23628199999996 C11H19N4O11P2- 1 621.59 11681 2196 2M+2Na 709046 247.205798 247.20534967227837 738.1644415597941 224.21658 C9H12N4O3 1 558.88 11682 2784 2M+2Na 488862 273.20684759999995 273.20599360678943 660.2214895043148 250.21762959999995 C10H13F3N2O2 1 862.56 +11685 2233 2M+2Na 26536 249.170478 249.1693813437799 454.70083878003703 226.18126 C7H14O8 1 262.81 +11686 2234 2M+2Na 26536 249.170478 249.17114280880665 558.4394207686408 226.18126 C7H14O8 1 262.81 +11687 4350 2M+2Na 20821 340.17691799999994 340.1752782152968 334.2288951247011 317.18769999999995 C13H10Cl2O3S 1 1049.84 +11688 2883 2M+2Na 537351 278.143418 278.1421305183522 415.0946464128524 255.15419999999997 C11H15BrN2 1 811.63 11690 2600 2M+2Na 338760 266.086358 266.08740419904694 261.48183930709087 243.09714000000002 C10H11BrO2 1 813.82 11691 1150 2M+2Na 385619 191.178998 191.17949506160525 664.3321074066803 168.18978 C9H12O3 1 673.31 +11694 4012 2M+2Na 23307 325.16557800000004 325.164053958318 603.695073719243 302.17636000000005 C12H9Cl2NO2S 1 987.92 +11695 2131 2M+2Na 365867 244.162098 244.16250727455758 536.7919498052757 221.17288 C8H7N5O3 1 585.3 +11698 1889 2M+2Na 178040 231.17828120000001 231.17858031182416 612.5612321095379 208.18906320000002 C10H9FN2O2 1 679.28 +11699 7254 2M+2Na 81002 480.10251799999986 480.1010859823534 251.61125437080997 457.11329999999987 C17H15Br2NO4 1 934.15 +11700 1949 2M+2Na 495045 234.20703799999998 234.2062108447137 1194.5601204518919 211.21782 C9H13N3O3 1 554.76 +11701 2340 2M+2Na 724048 254.161778 254.1606464762732 245.11172404068472 231.17256 C11H19Br 1 1261.79 +11702 6286 3M+2Na 62660 431.244668 431.24296317280545 683.8034121316297 272.1703 C13H15Cl2NO 0 992.51 +11703 6287 3M+2Na 62660 431.244668 431.24656605868375 694.9063811055297 272.1703 C13H15Cl2NO 0 992.51 11704 6023 3M+2Na 179090 419.3528923999998 419.35138543087294 1126.1893756954948 264.2424495999999 C15H11F3O 1 1001.01 11705 5373 3M+2Na 239497 389.358188 389.3578658182902 1005.3499717648498 244.24597999999997 C13H12N2O3 1 646.9 +11706 5374 3M+2Na 239497 389.358188 389.35942532573813 1046.2911523172081 244.24597999999997 C13H12N2O3 1 646.9 +11707 7521 3M+2Na 565033 494.3163679999999 494.3179802994142 626.2878568857584 314.21809999999994 C14H20BrNO2 1 846.59 +11708 6042 3M+2Na 550851 420.88206799999995 420.8841701317516 1029.7589898590793 265.26189999999997 C13H15NO5 1 636.99 +11710 8043 3M+2Na 53790 525.309488 525.3093894139888 627.0797076605579 334.88017999999994 C20H27ClO2 1 1177.3 +11712 8228 3M+2Na 210249 537.1536679999999 537.1547607941709 279.4111582568627 342.77629999999994 C18H15ClN2O3 1 803.73 +11714 7629 3M+2Na 287492 500.3341279999999 500.33494004499914 864.2128985299237 318.22993999999994 C12H16BrNO2S 0 968.43 11715 4698 3M+2Na 184055 356.352218 356.35224822435407 864.256918624386 222.242 C14H10N2O 1 874.23 +11716 6955 3M+2Na 498328 463.21785800000004 463.21674657341913 488.06032159850724 293.48576 C16H39NO3 0 864.28 +11717 8228 3M+2Na 506132 537.156308 537.1547607941709 279.4111582568627 342.7780599999999 C14H19ClN4O4 1 386.34 +11718 4177 3M+2Na 304962 332.1722324 332.1706064176947 374.152312671061 206.12200959999998 C7H5F3N2O2 1 607.99 +11719 3909 3M+2Na 511273 320.258168 320.2578242380667 701.6072078445669 198.1793 C7H10N4O3 1 491.95 11723 8570 3M+2Na 370426 560.3411767999997 560.3420056331436 705.9541370938173 358.23463919999983 C17H8F6O2 1 913.72 +11724 3547 3M+2Na 195921 305.263298 305.26422743043355 920.8539267593213 188.18272000000002 C10H8N2O2 1 493.61 11725 3383 3M+2Na 95378 299.277938 299.2773480579938 815.5132146132555 184.19248000000002 C8H12N2O3 1 633.74 +11726 1299 3M+2Na 4456 200.18586799999997 200.1857480239962 597.5989267635263 118.13109999999999 C5H10O3 1 604.73 +11727 5531 3M+2Na 32873 395.40582799999993 395.40698197432664 1029.0075117342958 248.27773999999997 C13H16N2O3 1 564.73 +11731 7729 3M+2Na 656563 506.4564079999997 506.45622513987644 1107.1231396188741 322.31145999999984 C19H14O5 1 927.64 +11735 6793 3M+2Na 196682 455.2041067999999 455.2043390071756 353.5866658388014 288.14325919999993 C10H6F6O3 1 844.76 +11736 5080 3M+2Na 382365 374.30136799999997 374.3027981990838 873.7452187748213 234.2081 C11H10N2O4 1 666.46 11739 9457 3M+2Na 264064 631.3453580000001 631.3436992014159 702.404293826646 405.57076000000006 C24H39NO4 1 740.96 11740 9458 3M+2Na 264064 631.3453580000001 631.345834321856 744.9205058822128 405.57076000000006 C24H39NO4 1 740.96 +11742 7371 3M+2Na 228544 486.23358799999994 486.23343972543876 579.2390974535571 308.82957999999996 C14H17ClN4S 1 831.38 +11748 8811 3M+2Na 24307 577.1057479999998 577.103770499973 389.44851016875316 369.4110199999999 C21H23NO5 1 847.9 11750 9663 3M+2Na 528674 650.9677280000003 650.9695442823388 273.6958409264352 418.65234000000015 C27H46O3 1 1046.54 11751 4994 3M+2Na 359010 371.153828 371.15508297209976 218.2857849157677 232.10974 C9H11Cl2N3 1 560.83 11752 3830 3M+2Na 36371 317.16975800000006 317.1684811697197 460.32853832988604 196.12036000000003 C6H4N4O4 1 580.55 +11753 3831 3M+2Na 36371 317.16975800000006 317.17062582699 409.56420388421685 196.12036000000003 C6H4N4O4 1 580.55 +11759 4442 3M+2Na 674114 344.27157800000003 344.27039304660235 697.7623488667347 214.18824 C15H11LiO 1 1114.49 11760 2527 3M+2Na 514410 263.11511449999995 263.11387414544953 342.22876576096417 160.08393099999998 C4H10NaO3P 1 469.14 11761 8422 3M+2Na 143106 551.263628 551.2642622254937 295.3940876909487 352.18294000000003 C8H6ClHgN 0 313.89 +11765 5373 3M+2Na 116846 389.3581879999999 389.3578658182902 1005.3499717648498 244.24597999999995 C13H12N2O3 1 658.58 11766 5374 3M+2Na 116846 389.3581879999999 389.35942532573813 1046.2911523172081 244.24597999999995 C13H12N2O3 1 658.58 +11767 11669 3M+2Na 687504 900.1119380000004 900.1125039832366 795.5153876108172 584.7484800000002 C28H52N6O7 1 687.33 +11768 5640 3M+2Na 552590 401.2205467999999 401.220515091885 406.64583697306296 252.15421919999994 C8H10F6O2 1 858.04 +11769 7446 3M+2Na 98196 490.34448949999995 490.3439550048515 965.4708277329156 311.570181 C9H18Cl3O3P 1 947.5 +11770 10138 3M+2Na 136840 707.5902079999997 707.5873793299033 1241.2582125179624 456.4006599999998 C19H24N2O11 1 869.23 11773 7091 3M+2Na 586826 470.31032239999985 470.30994276256536 661.331536408918 298.2140695999999 C14H9F3O4 1 844.28 11775 5954 3M+2Na 657771 416.3883679999999 416.3883223215009 1053.9867743166792 262.26609999999994 C15H10N4O 1 836.64 11777 9037 3M+2Na 65118 596.1308251999998 596.1320619596218 1008.839569574528 382.0944047999998 C8H4F14O 0 866.44 11778 8878 3M+2Na 621976 582.307958 582.3105899722475 498.2251983938853 372.87915999999996 C9H9Br3O 0 1108.12 +11783 10510 3M+2Na 194684 752.5073030000001 752.5059342864128 637.695240498882 486.34539 C23H23IN2O2 0 890.96 11784 2891 3M+2Na 207056 278.1958928 278.19607332298256 577.432849407686 170.13778320000003 C8H7FO3 0 682.6 11786 2765 3M+2Na 9760 272.22210949999993 272.22200967372004 656.4498058884597 166.15526099999997 C6H15O3P 1 764.9 11787 3024 3M+2Na 265791 284.221118 284.2220001735177 697.9680015542674 174.1546 C6H10N2O4 1 123.26 +11788 9160 3M+2Na 685955 607.3462580000001 607.3465492949667 723.6793114134914 389.57136 C24H39NO3 1 751.83 11789 4828 3M+2Na 123248 362.340218 362.33927671905184 1016.7975670846678 226.23399999999998 C12H10N4O 1 614.07 +11790 4764 3M+2Na 709046 359.31408799999997 359.3154826563599 940.2564271195154 224.21658 C9H12N4O3 1 558.88 +11791 11266 3M+2Na 59742 841.495478 841.4921508849732 496.6199316056344 545.67084 C26H31N3O6S2 0 712.85 +11792 9506 3M+2Na 486590 635.2420579999999 635.244482956189 355.2553024789464 408.16855999999996 C16H24Br2O2 1 1322.75 +11793 7869 3M+2Na 489950 515.2125530000001 515.2102166250672 187.1034242103097 328.14889000000005 C12H13IN2O 0 678.74 11796 9272 3M+2Na 386012 616.3554380000002 616.3530849076675 792.3532828338157 395.57748000000004 C26H37NO2 0 857.85 +11797 7670 3M+2Na 533304 503.2780895 503.2778686425771 553.7946215211696 320.192581 C10H13N2O8P-- 0 534.37 +11798 5080 3M+2Na 594725 374.30136799999997 374.3027981990838 873.7452187748213 234.20809999999997 C11H10N2O4 1 624.12 11805 6002 M+2Na 572270 418.3212790000002 418.3219122457655 729.5326509529618 790.6641220000004 C29H50N3O18P2- 1 795.09 11806 1008 M+2Na 391249 183.11289799999997 183.11311046242872 247.31080325426308 320.24735999999996 C15H14BrNS 1 1019.77 11807 332 M+2Na 314655 142.09817850000002 142.0977164701916 186.40301473544974 238.21792100000002 C9H19O5P 1 758.81 @@ -2229,78 +6109,206 @@ 11809 1481 M+2Na 122516 210.16069799999988 210.16031923263157 229.06070568900665 374.3429599999998 C22H14O6 1 808.34 11811 845 M+2Na 699839 175.08657849999997 175.0868112124373 1031.901805445753 304.19472099999996 C13H9N2O5P 1 779.79 11812 900 M+2Na 587155 178.12313279999992 178.12303472001773 499.64036351012754 310.26782959999986 C16H13F3O3 0 1041.01 +11821 1666 M+2Na 366120 221.058958 221.05903110346287 212.54439334496092 396.13948 C16H12Br2S 0 1159.19 +11823 425 M+2Na 622530 149.079378 149.0792058010539 401.24187333656903 252.18032 C10H8N2O6 0 44.76 11824 113 M+2Na 233370 123.11662800000002 123.11691487917481 504.82982035285966 200.25482000000002 C10H18NO3 1 700.98 +11826 7 M+2Na 417340 111.11663800000002 111.11707209942239 999.9674214449866 176.25484000000003 C12H16O 1 933.35 +11828 414 M+2Na 270225 148.11614799999998 148.11587192899563 159.19545156276084 250.25385999999997 C11H14N4O3 1 641.35 +11831 803 M+2Na 97117 172.168998 172.1698155700282 266.22782919187574 298.35956 C16H14N2O2S 1 745.38 11832 490 M+2Na 274506 153.090378 153.09113782291791 457.85323406527135 260.20232 C12H8N2O5 1 462.94 +11835 352 M+2Na 561088 144.0114696 144.01163027027826 296.5993218850566 242.04450319999998 C9H5BrFNO 0 762.12 +11836 1157 M+2Na 709795 192.05942299999998 192.05874833753006 203.42958729715212 338.14041 C14H11IO2 0 1268.39 +11837 1196 M+2Na 443498 194.13822799999994 194.1386616155371 481.16312787362915 342.2980199999999 C15H18O9 1 761.92 +11838 79 M+2Na 36371 121.04939800000002 121.04972771609016 479.7770930696892 196.12036000000003 C6H4N4O4 0 580.55 11842 1771 M+2Na 110891 226.16339799999997 226.16297246530394 431.2271480477947 406.34835999999996 C20H14N4O6 1 797.94 +11845 246 M+2Na 42856 136.039336 136.03951822463634 196.87116921614037 226.100236 C8H3F5O2 1 958.44 +11846 1043 M+2Na 855601 185.15288799999996 185.1537111451596 598.8743031481318 324.32733999999994 C19H16O5 1 764.12 +11847 517 M+2Na 435672 155.06969800000002 155.07044829370665 383.57605379854783 264.16096000000005 C13H14BrN 1 784.59 +11851 794 M+2Na 586826 172.09625279999995 172.09710203507134 328.30871463381567 298.2140695999999 C14H9F3O4 1 844.28 11852 748 M+2Na 138094 169.13448799999995 169.133668071641 238.48449221510575 292.2905399999999 C13H16N4O4 1 814.1 +11853 1932 M+2Na 442796 233.1949179999999 233.19434722206117 443.2187380609691 420.4113999999998 C24H20O7 1 997.31 11861 3411 M+2Na 132685 300.288258 300.2895943631047 801.9128994972145 554.59808 C24H22N6O6S2 1 857.34 +11862 579 M+2Na 495732 159.116488 159.11704234893566 632.5455158142607 272.25454 C11H16N2O6 1 519.18 +11863 336 M+2Na 84155 142.13144799999998 142.13092443769463 519.5454064082633 238.28445999999997 C15H14N2O 1 669.48 11865 143 M+2Na 40174 126.11051799999998 126.11065458150134 269.34601373209705 206.24259999999998 C14H10N2 1 916.4 11866 1680 M+2Na 242167 221.18993800000004 221.19008465211232 1277.8648966082885 396.4014400000001 C22H16N6O2 1 686.67 11867 1681 M+2Na 242167 221.18993800000004 221.19020967062926 645.7313960175578 396.4014400000001 C22H16N6O2 1 686.67 11868 221 M+2Na 666003 133.6245396 133.62495179585892 248.834199246197 221.27064319999997 C13H16FNO 0 858.43 +11869 54 M+2Na 244553 118.08686800000001 118.086289389749 549.8628497582368 190.1953 C11H10O3 0 783.2 +11870 72 M+2Na 410220 120.081218 120.08105010892932 255.8540439588944 194.18400000000003 C10H10O4 1 672.57 +11874 290 M+2Na 265761 139.086978 139.08673791862634 299.9653735968586 232.19551999999996 C10H8N4O3 0 588.52 11875 291 M+2Na 265761 139.086978 139.08697012116176 807.5985027883137 232.19551999999996 C10H8N4O3 0 588.52 +11877 445 M+2Na 56268 150.968348 150.9690264870238 1232.2274766804169 255.95826 C5H4Br2S 0 951.97 +11881 1354 M+2Na 403579 203.10616799999997 203.10689513553876 515.4678235683314 360.23389999999995 C19H15Cl2NO2 1 1127.04 +11882 732 M+2Na 138255 168.146428 168.14655465939757 590.4452719149913 290.31442 C15H18N2O4 1 873 +11883 194 M+H+2Na 262804 131.1061906666666 131.10683254417552 382.11364144182244 346.3328599999998 C21H14O5 1 1195.14 +11884 267 M+H+2Na 851783 137.09641733333328 137.09623184438925 467.61083230155396 364.3035399999999 C17H16O9 1 655.96 +11885 679 M+H+2Na 518021 166.09510066666667 166.09462248724407 472.1742727763331 451.29959 C23H18INO 0 1114.68 +11886 3403 M+H+2Na 288747 300.2030250000001 300.20177297883697 316.9645024938119 853.6233630000002 C25H42N7O18P3S 1 695.42 11887 145 M+H+2Na 363019 127.039754 127.03926791940039 340.5892113069049 334.13355 C9H7IN2O2S 0 860.23 11888 3763 M+H+2Na 288866 314.2152516666668 314.2153329778405 665.1207962393673 895.6600430000003 C27H44N7O19P3S 1 663.92 11889 244 M+H+2Na 472434 135.1170406666667 135.11701416735926 457.657377228003 358.3654100000001 C14H31IS 1 1074.51 +11891 461 M+H+2Na 110891 151.1113573333333 151.11188467825247 524.2609979919185 406.34835999999996 C20H14N4O6 0 797.94 +11892 214 M+H+2Na 143106 133.05621733333334 133.0562435138274 436.68704336477356 352.18294000000003 C8H6ClHgN 0 313.89 +11897 186 M+H+2Na 59529 131.032454 131.0325821175817 577.6647515697967 346.11165 C4H5AuO4S 1 574.39 11898 2284 M+H+2Na 291146 251.20081733333348 251.20058981473622 684.8593469591915 706.6167400000004 C28H20N8Na2O8S2 1 762.78 +11899 2515 M+H+2Na 646690 263.021224 263.02180583045805 236.8026230447577 742.0779600000001 C42H79NO9 1 1332.94 +11904 3335 M+H+HCOOH 705243 297.260006 297.2613755993732 801.673075661711 250.24725999999998 C13H14O5 1 764.56 +11905 4765 M+H+HCOOH 79544 359.3724459999999 359.3709372776922 879.738001036601 312.3596999999999 C19H20O4 1 1009.02 +11910 4056 M+H+HCOOH 66531 327.117076 327.11812004865754 240.6870759294118 280.10433 C12H9I 1 1014.33 11912 10261 M+H+HCOOH 226909 722.5574059999998 722.5586199177585 1229.4757492576462 675.5446599999998 C25H24N2O8Pt 0 593.44 11913 2283 M+H+HCOOH 256975 251.19156600000002 251.19143688817954 778.1953225538011 204.17882000000003 C11H8O4 1 719.47 +11919 3089 M+H+HCOOH 344309 287.101426 287.1005878580949 520.0585947574259 240.08868 C10H7Cl2N3 1 902.73 +11925 5729 M+H+HCOOH 370426 405.2473851999998 405.2483602543687 650.7155074106039 358.23463919999983 C17H8F6O2 1 913.72 +11926 2469 M+H+HCOOH 405096 260.203386 260.2046220052501 301.7628093874563 213.19064000000003 C8H11N3O4 1 726.51 +11927 7476 M+H+HCOOH 659900 492.24254599999995 492.24214375552725 539.1051965981394 445.22979999999995 C10H20BrCl3Sn 1 819.34 +11928 7477 M+H+HCOOH 659900 492.24254599999995 492.2436068733603 534.8574787051614 445.22979999999995 C10H20BrCl3Sn 1 819.34 11930 3179 M+H+HCOOH 644699 290.26912600000003 290.2688933470891 996.4979418143222 243.25638 C11H17NO5 1 633.94 11931 1977 M+H+HCOOH 203625 236.12247879999998 236.1221932546018 193.62351123923654 189.1097328 C8H3F4N 0 828.35 11932 10242 M+H+HCOOH 281175 720.7063670000002 720.7038761832187 1251.5666732962727 673.6936210000002 C32H44N5O9P 1 733.51 +11936 219 M+H+HCOOH 435010 133.105286 133.10548019398254 174.96779857774865 86.09254 C3H6N2O 0 253.93 +11937 6449 M+H+HCOOH 692072 439.35612599999985 439.354274761588 1008.3087463739985 392.34337999999985 C15H12N4O7S 1 624.86 +11938 6039 M+H+HCOOH 227042 420.3315260000001 420.3314424719004 932.8995632060205 373.3187800000001 C21H22Cl2N2 1 773.57 11939 2743 M+H+HCOOH 230852 271.22756599999997 271.2267976373879 832.934709859266 224.21481999999997 C13H8N2O2 1 596.14 +11941 4630 M+H+HCOOH 124325 353.412466 353.4142289021272 779.0288312586054 306.39972 C24H18 1 1049.69 +11945 1942 M+H+HCOOH 860429 234.123046 234.12415754213242 389.71355694998306 187.1103 C5H5N3O5 1 585.93 +11946 2484 M+H+HCOOH 677125 261.1519156 261.152603122919 194.33166722030333 214.1391696 C7H9F3O4 1 747.94 11947 3251 M+H+HCOOH 584139 293.2464892 293.24726132486757 795.9880115824735 246.23374319999996 C14H11FO3 1 719.12 +11948 3898 M+H+HCOOH 89055 320.189107 320.18804133255435 669.8255113336505 273.176361 C10H14NNa2O3P 1 640.45 +11949 3241 M+H+HCOOH 303373 293.14576600000004 293.14697949967797 575.5631208683463 246.13302000000004 C11H13Cl2NO 1 885.08 11950 3312 M+H+HCOOH 641278 296.2504292 296.2493708832683 768.8197354020028 249.2376832 C13H12FNO3 1 1000.54 +11955 4231 M+H+HCOOH 584944 334.237106 334.23690818184235 633.0788046302234 287.22436 C14H9NO6 1 697.98 +11958 568 M+H+HCOOH 674916 158.154506 158.1541909173507 231.6918923694797 111.14175999999999 C6H9NO 0 765.23 11960 1296 M+H+HCOOH 46744 200.148126 200.14735944667535 305.1209411152733 153.13538 C7H7NO3 1 597.97 11961 3412 M+H+HCOOH 168932 300.308546 300.30914547211364 912.4423657701773 253.29579999999999 C16H15NO2 1 987.48 +11964 2260 M+H+HCOOH 388398 250.21340599999996 250.21416536718792 860.0393599481579 203.20065999999997 C9H9N5O 1 616.14 11965 2536 M+H+HCOOH 728317 263.1860388 263.1857557610676 530.0697235222273 216.1732928 C8H12F4O2 1 774.47 +11966 1258 M+H+HCOOH 412295 198.13224599999998 198.13179859166496 361.70001689301114 151.1195 C7H5NO3 1 433.7 11968 5615 M+H+HCOOH 106523 400.2144659999999 400.2151481809813 540.2790093051664 353.2017199999999 C12H18Cl2N4O4 1 726.51 11969 5616 M+H+HCOOH 106523 400.2144659999999 400.2162218472511 646.6502333421859 353.2017199999999 C12H18Cl2N4O4 1 726.51 +11970 11058 M+H+HCOOH 548846 814.8992460000003 814.8995286868835 686.834102349809 767.8865000000003 C32H35N2O12S4--- 0 768.23 +11971 2994 M+H+HCOOH 508498 283.17656700000003 283.17533296660633 322.94088792792405 236.163821 C10H9N2O3P 1 476.37 +11972 1656 M+H+HCOOH 45751 220.12584600000002 220.12603696415323 407.7470109674033 173.11310000000003 C4H10Cl2OSi 0 909.09 +11975 3420 M+H+HCOOH 617576 301.09276600000004 301.0931798426316 354.4660221848382 254.08002000000002 C10H8BrNO2 1 670.55 11976 5104 M+H+HCOOH 128096 376.16090599999995 376.1601244367995 452.16779068153215 329.14815999999996 C15H9BrN2O2 0 809.41 11977 6072 M+H+HCOOH 733058 421.35780600000004 421.3592278042679 1137.5798696143988 374.34506000000005 C19H29Cl2NO2 1 901.37 11978 1515 M+H+HCOOH 571542 212.165426 212.16463755353968 557.5988107193485 165.15268 C6H7N5O 1 297.37 11979 3720 M+H+HCOOH 113085 312.31770599999993 312.3167298654852 945.7978382813568 265.30495999999994 C14H19NO4 1 181.98 +11980 2811 M+H+HCOOH 560955 275.08742600000005 275.08800721490803 374.03559842757363 228.07468000000003 C10H7Cl2NO 1 888.77 +11981 4737 M+H+HCOOH 727283 358.30662599999994 358.3080454325627 961.8333914973864 311.29387999999994 C12H17N5O5 1 413.51 +11982 2897 M+H+HCOOH 359010 279.122486 279.12266489848093 496.10195981893037 232.10974 C9H11Cl2N3 1 560.83 11983 8454 M+H+HCOOH 17757 553.2090089999999 553.2111996431299 448.7858515430116 506.19626299999993 C10H17N6O12P3 1 168.43 11984 2469 M+H+HCOOH 434588 260.203386 260.2046220052501 301.7628093874563 213.19064 C8H11N3O4 1 50.17 11985 2110 M+H+HCOOH 36371 243.13310600000003 243.13403386557258 325.38871033642147 196.12036000000003 C6H4N4O4 1 580.55 +11991 4132 M+H+HCOOH 46338 330.162626 330.16284417365324 526.1751399310202 283.14988 C14H12Cl2O2 1 901.39 +11992 2259 M+H+HCOOH 857635 250.210106 250.20920888632205 679.7854119513215 203.19736 C10H9N3O2 1 438.9 +11993 4072 M+H+HCOOH 637237 327.28928599999995 327.2885223943134 932.1895427205701 280.27653999999995 C13H16N2O5 1 426.68 11994 7566 M+H+HCOOH 233503 496.25546599999996 496.2541577726571 583.7226850133659 449.24271999999996 C16H18Cl2N4O7 1 660.21 11995 5179 M+H+HCOOH 678019 380.2628259999999 380.2645669751132 780.4872759753758 333.2500799999999 C16H22Cl2O3 1 1335.49 11996 3489 M+H+HCOOH 694100 303.2474870000001 303.24895886523734 889.8763498671526 256.2347410000001 C12H17O4P 1 715.42 12001 3461 M+H+HCOOH 45400 302.206906 302.2055604678112 420.82931606095366 255.19415999999998 C6H9N9O3 1 156.48 12002 2743 M+H+HCOOH 211673 271.22602600000005 271.2267976373879 832.934709859266 224.21328000000003 C10H12N2O4 1 632.79 +12003 3975 M+H+HCOOH 57616 323.2590659999999 323.2580812533764 672.4814261520297 276.2463199999999 C16H8N2O3 0 917.75 +12005 2999 M+H+HCOOH 580566 283.2268524 283.22681034676344 685.1654810521427 236.21410639999996 C13H10F2O2 1 858.76 +12007 2365 M+H+HCOOH 609847 255.249766 255.25088841005314 868.1497468778131 208.23702 C9H8N2O2S 1 749.84 +12013 3805 M+H+HCOOH 396563 316.157646 316.1576913592727 492.1507914458215 269.1449 C9H10Cl2O3S 0 988.6 +12014 3544 M+H+HCOOH 10767 305.244006 305.2429033252195 344.83382315293835 258.23126 C9H14N4O5 1 62.62 +12015 4308 M+H+HCOOH 221194 338.14156599999995 338.14292198043813 366.50391558298475 291.12881999999996 C15H8Cl2O2 1 1004.24 +12016 1729 M+H+HCOOH 528236 224.172826 224.172650343554 678.94266455435 177.16008 C8H7N3O2 1 483.64 12017 2509 M+H+HCOOH 566806 262.18457559999996 262.18370677809514 668.251715063055 215.17182959999997 C10H8F3NO 1 777.04 +12018 4630 M+H+HCOOH 597297 353.412686 353.4142289021272 779.0288312586054 306.39994 C17H26N2O3 1 691.31 +12019 2268 M+H+HCOOH 202797 251.05232919999997 251.05141831111237 208.52803292548694 204.03958319999998 C7H7BrFN 1 590.9 12020 3376 M+H+HCOOH 552590 299.16696519999994 299.16793556941633 437.21171413176575 252.15421919999994 C8H10F6O2 1 858.04 +12021 3256 M+H+HCOOH 114971 294.09858600000007 294.09728504155186 391.173526804328 247.08584000000005 C9H11BrO3 1 869.58 +12031 1497 M+H+HCOOH 89678 211.169226 211.16938556127633 490.2767589115096 164.15648000000002 C6H12O5 1 397.82 12033 3733 M+H+HCOOH 138184 313.135406 313.1348732132655 255.16885704372902 266.12266 C13H9Cl2NO 1 949.53 +12034 3338 M+H+HCOOH 564336 298.0807124 298.0819054209792 808.517909642799 251.06796639999996 C9H9BrF2O 1 995.7 +12035 4018 M+H+HCOOH 168562 325.227046 325.22746890969745 727.7848117476108 278.2143 C13H10O7 1 693.04 +12036 1822 M+H+HCOOH 512136 228.204586 228.2040105390728 843.9622344240522 181.19184 C8H11N3O2 1 474.33 +12039 3654 M+H+HCOOH 657771 309.27884599999993 309.27831933211405 885.0873276176069 262.26609999999994 C15H10N4O 1 836.64 +12040 684 M+H+HCOOH 539006 166.131906 166.13109722643853 524.7898138959574 119.11915999999998 C4H9NO3 1 65.6 +12044 2384 M+H+HCOOH 630662 256.21138600000006 256.2102374301569 307.62208071909373 209.19864000000004 C10H11NO4 1 640.75 +12048 3118 M+H+HCOOH 421819 288.148487 288.14948076324595 1163.300862765482 241.135741 C6H12NO7P 0 107.38 +12049 5182 M+H+HCOOH 229746 380.3522460000001 380.3517745237016 895.7005956174999 333.3395000000001 C17H30Cl2N2 1 677.44 +12050 5866 M+H+HCOOH 255447 412.3058859999998 412.3048856564629 719.1418826770237 365.2931399999998 C19H11NO7 1 701.36 +12051 10704 M+H+HCOOH 856552 773.6503060000002 773.6501225776469 1172.0811896007992 726.6375600000002 C34H34N2O16 1 358.44 +12053 3270 M+H+HCOOH 621958 294.22776600000003 294.2275937035132 1183.8153179574542 247.21502000000004 C12H23Br 1 1391 +12055 2508 M+H+HCOOH 428165 262.1663324 262.1650832949602 368.0704196948393 215.1535864 C9H7F2NO3 1 703.58 12057 2136 M+H+HCOOH 56287 244.200686 244.2017645365134 208.14021250727347 197.18794 C9H11NO4 1 519.44 12059 3059 M+H+HCOOH 84155 285.29720599999996 285.29805987492114 947.0098288523932 238.28445999999997 C15H14N2O 1 669.48 +12061 2196 M+H+HCOOH 317268 247.206166 247.20534967227837 738.1644415597941 200.19342 C11H8N2O2 1 653.08 +12068 4620 M+H+HCOOH 704454 353.222406 353.2220854692268 633.3898444555476 306.20966 C15H9Cl2NS 1 1280.76 +12071 1986 M+H+HCOOH 34951 237.039446 237.03875795826792 174.99774413958608 190.0267 C7H5Cl2NO 0 773.05 12072 3815 M+H+HCOOH 701363 316.2831291999999 316.2845101850979 705.8230779767275 269.2703831999999 C16H12FNO2 1 830.38 +12073 2384 M+H+HCOOH 34989 256.21138600000006 256.2102374301569 307.62208071909373 209.19864000000004 C10H11NO4 1 785.4 +12074 3679 M+H+HCOOH 614276 311.09425600000003 311.0949188798929 315.0735562426109 264.08151000000004 C7H6Cl2NaO3S+ 1 775.35 12075 4739 M+H+HCOOH 568077 358.36776599999996 358.36760861170234 1025.8634224029838 311.35501999999997 C17H13NO3S 1 763.99 +12076 2952 M+H+HCOOH 218736 281.227446 281.22625138751005 635.7096152468976 234.21469999999997 C9H10N6O2 1 491.77 +12087 5765 M+H+HCOOH 403579 407.24664599999994 407.2470099684674 569.4382884004776 360.23389999999995 C19H15Cl2NO2 1 1127.04 +12088 1942 M+H+HCOOH 550258 234.12338599999998 234.12415754213242 389.71355694998306 187.11064 C6H16Cl2N2 1 126.27 12090 4072 2M+3H2O+2H 572860 327.2890296 327.2885223943134 932.1895427205701 299.2667896 C10H12F3NO4S 1 990 12091 3401 2M+3H2O+2H 62660 300.19254 300.1911575605252 202.74410807717766 272.1703 C13H15Cl2NO 1 992.51 12092 3923 2M+3H2O+2H 227007 321.17024000000004 321.1697974644998 602.829775495594 293.148 C14H10Cl2N2O 1 989.46 +12096 3550 2M+3H2O+2H 685031 306.04882000000003 306.04742656255405 371.9414148470482 278.02658 C8H12Cl2O3V 0 831.42 12097 3608 2M+3H2O+2H 66531 308.12657 308.1256830726395 231.77887308745034 280.10433 C12H9I 1 1014.33 +12098 3609 2M+3H2O+2H 66531 308.12657 308.1256838364027 794.9261856586581 280.10433 C12H9I 1 1014.33 +12099 5367 2M+3H2O+2H 169178 389.26700100000005 389.2661280916657 884.2442324090931 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +12100 5368 2M+3H2O+2H 169178 389.26700100000005 389.26715840351784 890.5576488727869 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +12101 5369 2M+3H2O+2H 169178 389.26700100000005 389.2681875309729 737.9755864550655 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +12102 4527 2M+3H2O+2H 391249 348.26959999999997 348.2697678446993 949.3203648319701 320.24735999999996 C15H14BrNS 0 1019.77 +12103 5623 2M+3H2O+2H 66102 400.30471999999986 400.30541101416765 808.2539410986991 372.28247999999985 C18H12O9 1 752.98 12105 3334 2M+3H2O+2H 336577 297.24144959999995 297.2423223049121 733.7088632618089 269.21920959999994 C13H10F3NO2 1 924.7 12106 4358 2M+3H2O+2H 269339 340.25605999999993 340.2561181426761 650.420749233692 312.2338199999999 C15H8N2O6 1 696.63 +12107 3142 2M+3H2O+2H 289896 289.108201 289.10736438944775 542.7751326965646 261.085961 C7H15Cl2N2O2P 1 668.27 +12108 1846 2M+3H2O+2H 328922 229.22202 229.2222710070985 780.4946005881062 201.19977999999998 C7H7NO4S 1 509.45 12109 7139 2M+3H2O+2H 659900 473.25203999999997 473.251241045611 833.1562851073816 445.22979999999995 C10H20BrCl3Sn 1 819.34 +12113 6167 2M+3H2O+2H 59810 426.2643599999999 426.2633900728815 658.1453891871829 398.2421199999999 C20H13Cl2N3O2 1 927.3 +12114 6114 2M+3H2O+2H 366120 424.16172 424.1619808051038 430.05358281304535 396.13948 C16H12Br2S 0 1159.19 12125 320 2M+3H2O+2H 615555 141.11364 141.11367601613 1085.2279996330697 113.0914 C5H5O3- 1 581.44 12126 4206 2M+3H2O+2H 673726 333.24229999999994 333.24210772096774 678.4806498556159 305.22005999999993 C13H14Cl2O2S 1 1153.15 12128 3132 2M+3H2O+2H 274506 288.22456 288.2248856407695 1022.7521503280199 260.20232 C12H8N2O5 1 462.94 12129 6552 2M+3H2O+2H 669000 444.2423000000001 444.2439285130596 421.69440633407294 416.2200600000001 C19H39NOSn 1 596.9 +12130 6251 2M+3H2O+2H 511701 430.16354999999993 430.16224823712884 272.50508826639526 402.1413099999999 C13H11IN2O5 1 772.33 +12131 4360 2M+3H2O+2H 166759 340.320241 340.32064140874127 928.8414512332312 312.298001 C15H21O5P 1 1070.6 +12138 2960 2M+3H2O+2H 617576 282.10226 282.10183875600933 299.692927547166 254.08002000000002 C10H8BrNO2 1 670.55 +12139 4710 2M+3H2O+2H 128096 357.1704 357.16986556998904 739.5796443162005 329.14815999999996 C15H9BrN2O2 1 809.41 12140 953 2M+3H2O+2H 361759 180.16956000000002 180.16979832733028 303.0566291890636 152.14732 C8H8O3 1 671.77 12141 2369 2M+3H2O+2H 560955 256.09692 256.0967819846587 476.99150769020275 228.07468000000003 C10H7Cl2NO 1 888.77 12142 4236 2M+3H2O+2H 99755 334.33759999999995 334.3375153909155 808.0713668716506 306.31535999999994 C18H14N2O3 1 890.99 +12145 3085 2M+3H2O+2H 525655 286.3097432 286.31005607437936 847.3170559006068 258.2875032 C16H15FO2 1 969.91 +12148 3033 2M+3H2O+2H 592975 285.06314000000003 285.064116868158 1102.7824622424973 257.0409 C8H5BrN2O3 1 645.68 +12149 3784 2M+3H2O+2H 490257 315.17193999999995 315.17135200513684 499.53401475572434 287.14969999999994 C12H15BrO3 1 918.77 +12150 4142 2M+3H2O+2H 291339 330.2645399999999 330.2636835258378 644.3209987815515 302.2422999999999 C13H10N4O5 1 731.72 12151 4358 2M+3H2O+2H 517331 340.25640000000004 340.2561181426761 650.420749233692 312.23416000000003 C16H19Cl2NO 1 632.34 12156 2333 2M+3H2O+2H 42856 254.122476 254.1219673132146 251.65205205335602 226.100236 C8H3F5O2 1 958.44 +12158 5841 2M+3H2O+2H 81980 411.24818 411.24864697020837 348.5492254478379 383.22594 C17H16Cl2N2O4 0 1043.06 12160 8476 2M+3H2O+2H 638410 554.3665 554.3687186065376 602.013016743814 526.34426 C25H34Br2O2 0 929.01 12162 2706 2M+3H2O+2H 735418 270.13462 270.13372316958913 377.29472831459776 242.11237999999997 C10H12BrNO 1 687.1 +12165 3193 2M+3H2O+2H 314255 291.15538 291.1551597278715 369.03005638531613 263.13313999999997 C12H11BrN2 1 733.5 12167 6022 2M+3H2O+2H 331788 419.31478 419.3156546938412 1094.6884551755315 391.29254 C23H16Cl2N2 1 1009.34 +12174 2002 2M+3H2O+2H 630662 237.22088000000005 237.22123727630404 988.1005305587826 209.19864000000004 C10H11NO4 1 640.75 12177 853 2M+3H2O+2H 437704 175.15304 175.15242292389092 240.40184867069186 147.1308 C8H5NO2 1 690.78 12178 190 2M+3H2O+2H 348464 131.07047999999998 131.07042921589138 216.99752789068702 103.04823999999998 C5H6LiNO 0 707.99 +12179 191 2M+3H2O+2H 348464 131.07047999999998 131.07068216727316 721.4578942743117 103.04823999999998 C5H6LiNO 0 707.99 12183 2492 2M+3H2O+2H 671356 261.2224 261.22135315396537 774.244360332739 233.20016 C11H9N2O4- 1 640.32 +12185 1554 2M+3H2O+2H 512152 214.25374000000002 214.25289719221803 1035.2684984191787 186.2315 C7H10N2O2S 1 654.69 +12186 4407 2M+3H2O+2H 270997 342.31169999999986 342.3108641332449 915.8869953927268 314.28945999999985 C17H14O6 1 836.14 +12187 2684 2M+3H2O+2H 588670 269.18674960000004 269.18570179122963 388.7184757744065 241.16450960000003 C8H10F3NO4 1 604.55 +12188 2698 2M+3H2O+2H 610152 270.07890000000003 270.0793152764245 332.2597518683546 242.05666000000002 C7H9Cl2NO4 1 845.42 +12192 7117 2M+3H2O+2H 658435 471.38771999999983 471.3861878713156 786.9526426649563 443.3654799999998 C22H12Cl2O2S2 1 1215.07 12193 4200 2M+3H2O+2H 135625 333.1842400000001 333.18348209577664 516.0326924195883 305.1620000000001 C14H10Cl2N4 1 983.14 +12200 7140 2M+3H2O+2H 864995 473.25852199999997 473.25676866263893 601.3650342397458 445.23628199999996 C11H19N4O11P2- 1 621.59 +12201 2731 2M+3H2O+2H 398529 271.10817000000003 271.1079033642153 466.67188029959163 243.08593000000002 C6H14INO 1 633.28 12202 4094 2M+3H2O+2H 301793 328.28511999999995 328.28443057896936 881.85699875178625 300.26287999999994 C16H12O6 1 813.01 +12203 3428 2M+3H2O+2H 510084 301.1541591999999 301.15488667447806 558.2738117767935 273.1319191999999 C9H5F6NO2 1 862.32 +12204 1613 2M+3H2O+2H 34951 218.04894000000002 218.04850461391348 253.37088748000087 190.0267 C7H5Cl2NO 1 773.05 +12205 1300 2M+3H2O+2H 101012 200.20072000000002 200.20097692363828 960.8972561593864 172.17848 C8H12O4 1 603.45 12210 5074 2M+3H2O+2H 106828 374.2295599999999 374.2278255141516 472.0895854399002 346.20731999999987 C18H13Cl2NO2 1 1174.27 12211 1300 2M+3H2O+2H 277444 200.20072000000002 200.20097692363828 960.8972561593864 172.17848 C8H12O4 1 764.19 +12214 4685 2M+3H2O+2H 489950 356.17113000000006 356.17027244617105 393.76902466666405 328.14889000000005 C12H13IN2O 1 678.74 +12216 2513 2M+3H2O+2H 218736 262.23693999999995 262.2376945251248 1023.4639204793503 234.21469999999997 C9H10N6O2 1 491.77 +12217 853 2M+3H2O+2H 251673 175.15304 175.15242292389092 240.40184867069186 147.1308 C8H5NO2 1 633.94 +12218 2027 2M+3H2O+2H 123928 239.1177096 239.1178996834526 336.0929247301184 211.0954696 C6H4F3NO4 1 603.81 12219 4520 2M+3H2O+2H 533304 348.21482100000003 348.2143917512543 867.6754514811018 320.192581 C10H13N2O8P-- 1 534.37 12220 3296 2M+3H2O+2H 221693 295.3446199999999 295.3448331659201 780.0257698422506 267.3223799999999 C17H17NO2 0 938.85 12223 3697 2M+3H2O+2H 45495 311.25636000000003 311.25743707793674 833.7509670387019 283.23412 C12H13NO7 1 834.97 @@ -2308,55 +6316,125 @@ 12228 4321 M+IsoProp+H 685031 339.09137000000004 339.0899025416917 331.1116873134574 278.02658 C8H12Cl2O3V 1 831.42 12229 2388 M+IsoProp+H 183447 256.26329 256.2635143558315 889.6089136752685 195.1985 C7H5N3O2S 1 581.12 12230 4374 M+IsoProp+H 66531 341.16912 341.1706224464308 331.65906614176043 280.10433 C12H9I 1 1014.33 +12231 1892 M+IsoProp+H 381567 231.21029099999998 231.21068567702108 756.9259751354788 170.145501 C8H11O2P 1 652.04 +12233 4869 M+IsoProp+H 174367 364.35805 364.3570061591094 969.1797750757607 303.29326 C13H9N3O4S 1 648.68 +12234 3041 M+IsoProp+H 629397 285.11883 285.1186996328795 382.1243327497847 224.05404 C9H6BrNO 1 732.92 +12242 1298 M+IsoProp+H 47679 200.17359 200.1728213829429 1006.9019942598854 139.1088 C6H5NO3 1 548.01 12243 3911 M+IsoProp+H 555479 320.3155363999999 320.3157055505727 925.6362957194972 259.2507463999999 C15H11F2NO 1 993.06 12244 3477 M+IsoProp+H 350694 303.1262 303.12630680367533 396.45820748544907 242.06141 C4H11IN4 1 108.61 12245 9313 M+IsoProp+H 615242 618.4090699999998 618.4115900924717 911.1755522152762 557.3442799999998 C30H42NiO6 0 975.47 12252 6836 M+IsoProp+H 366120 457.20427 457.2035791304522 584.8996102352405 396.13948 C16H12Br2S 0 1159.19 +12253 6837 M+IsoProp+H 366120 457.20427 457.20488851204163 547.326627961043 396.13948 C16H12Br2S 0 1159.19 +12257 3148 M+IsoProp+H 307506 289.13947 289.13942042821793 367.71524318912304 228.07468 C10H7Cl2NO 1 714.07 +12262 3916 M+IsoProp+H 94717 321.13827000000003 321.13687186054034 315.93693334525926 260.07348 C10H7Cl2NO3 1 788.81 12264 2774 M+IsoProp+H 527963 273.10812999999996 273.1080328467002 259.9072672212741 212.04333999999997 C8H6BrNO 1 704.6 +12265 7213 M+IsoProp+H 669000 477.2848500000001 477.2846432989769 652.3208684086056 416.2200600000001 C19H39NOSn 1 596.9 +12269 3779 M+IsoProp+H 617576 315.14481 315.14407280512495 474.4326733139866 254.08002000000002 C10H8BrNO2 1 670.55 +12270 3780 M+IsoProp+H 617576 315.14481 315.1456835783913 477.183915842628 254.08002000000002 C10H8BrNO2 1 670.55 12271 5388 M+IsoProp+H 128096 390.21295 390.2118760506812 574.9469960425259 329.14815999999996 C15H9BrN2O2 1 809.41 12272 1775 M+IsoProp+H 571542 226.21747 226.21661511621045 859.8305760775485 165.15268 C6H7N5O 1 297.37 +12273 5695 M+IsoProp+H 443498 403.3628099999999 403.36111220939756 853.8597509109862 342.2980199999999 C15H18O9 1 761.92 12279 4353 M+IsoProp+H 506223 340.19403 340.19510812596076 521.5726025390655 279.12924 C13H11BrO2 1 935.02 12280 2331 M+IsoProp+H 588708 254.10325 254.102328329503 366.1806117986054 193.03846000000001 C6H9BrO2 1 699.02 +12282 10134 M+IsoProp+H 303627 706.8547500000001 706.8554820848607 376.31791806000945 645.7899600000001 C30H39N5O7S2 1 706.95 +12283 2238 M+IsoProp+H 15237 250.07148999999998 250.07082639596433 392.41127843673445 189.0067 C6H5BrO2 1 644.52 12284 7793 M+IsoProp+H 233503 510.30751 510.3077855414955 504.18149216953475 449.24271999999996 C16H18Cl2N4O7 1 660.21 12285 7794 M+IsoProp+H 233503 510.30751 510.30932976108545 499.8887671957384 449.24271999999996 C16H18Cl2N4O7 1 660.21 +12291 4520 M+IsoProp+H 490257 348.21448999999996 348.2143917512543 867.6754514811018 287.14969999999994 C12H15BrO3 1 918.77 +12296 1149 M+IsoProp+H 283992 191.16352999999998 191.16431942598058 1173.634705441822 130.09873999999996 C5H6O4-- 1 603.72 12297 3058 M+IsoProp+H 211673 285.27807 285.278661348538 858.2273215597492 224.21328000000003 C10H12N2O4 1 632.79 +12302 4138 M+IsoProp+H 396563 330.20969 330.21002237815026 476.3122783989668 269.1449 C9H10Cl2O3S 1 988.6 +12307 5506 M+IsoProp+H 127920 394.40549000000004 394.40444936045947 1088.0516209754628 333.3407 C19H15N3O3 1 844.73 +12308 4582 M+IsoProp+H 316958 351.20885 351.20732836857576 632.1741153181104 290.14405999999997 C15H9Cl2NO 1 1280.36 +12309 2214 M+IsoProp+H 345342 248.18675959999996 248.1856149511282 517.2873219235848 187.12196959999997 C7H4F3N3 1 736.81 12310 2290 M+IsoProp+H 698905 252.09785 252.0980156113361 207.12716356695327 191.03306 C3H4Cl2O3S 1 762.38 +12312 4762 M+IsoProp+H 586826 359.2788595999999 359.279013410712 723.8500341104852 298.2140695999999 C14H9F3O4 1 844.28 +12313 1751 M+IsoProp+H 89678 225.22127 225.22137886581652 816.3972035742171 164.15648000000002 C6H12O5 1 397.82 +12314 2319 M+IsoProp+H 395178 253.15370280000002 253.15462255461603 418.730786002565 192.0889128 C3F4O3S 1 761.21 +12315 2824 M+IsoProp+H 323495 275.16707 275.167859951795 373.0602181220081 214.10228 C9H12BrN 1 670.35 +12316 4009 M+IsoProp+H 864457 325.12842000000006 325.128322546105 487.4207587768314 264.06363000000005 C7H9IN2O 0 470.42 12317 3072 M+IsoProp+H 477073 286.14840999999996 286.14754678426226 372.54799795561905 225.08361999999997 C6H13BrN2O2 1 161.93 +12318 4678 M+IsoProp+H 420421 355.36790999999994 355.36832556045573 986.0688798125442 294.3031199999999 C14H18N2O5 1 740.26 12319 3612 M+IsoProp+H 333692 308.15393 308.152411870919 366.170486834801 247.08914000000001 C8H11BrN2O2 1 731.86 +12321 5506 M+IsoProp+H 229746 394.4042900000001 394.40444936045947 1088.0516209754628 333.3395000000001 C17H30Cl2N2 1 677.44 12324 6021 M+IsoProp+H 257386 419.2842299999998 419.2822430756684 488.9327793647439 358.2194399999998 C14H6N4O8 1 638.97 +12325 5737 M+IsoProp+H 433527 406.08350999999993 406.08492111900534 393.0108606128642 345.0187199999999 C13H8BrCl2NO 0 994.23 +12327 3272 M+IsoProp+H 671356 294.26495 294.2638332965908 789.9719837366936 233.20016 C11H9N2O4- 1 640.32 12328 1796 M+IsoProp+H 9760 227.22005099999996 227.2196947195458 816.7905094459483 166.15526099999997 C6H15O3P 1 764.9 +12329 4438 M+IsoProp+H 603699 344.22733 344.2269880449096 464.36079884858924 283.16254 C16H11Br 1 1170.51 +12331 4901 M+IsoProp+H 135625 366.2267900000001 366.22732386048733 579.4933560795315 305.1620000000001 C14H10Cl2N4 1 983.14 12334 3504 M+IsoProp+H 398529 304.15072000000004 304.15064236106906 286.17398428176307 243.08593000000002 C6H14INO 1 633.28 +12338 3776 M+IsoProp+H 410741 315.11038 315.11165296883337 206.18771201357578 254.04559 C5H3IO2S 1 738.31 12349 4176 M+IsoProp+H 537740 332.16751 332.1682285530941 242.24082980300585 271.10272 C10H8Cl2N4O 1 821.3 12354 1397 2M+Na+K 3270 205.988248 205.98800898415195 1284.100139039051 175.01206 C7H4Cl2O 1 807.04 +12355 1398 2M+Na+K 3270 205.988248 205.98801040043304 784.4584742855263 175.01206 C7H4Cl2O 1 807.04 +12356 9305 2M+Na+K 509369 618.345148 618.3476230234758 658.4164061016168 587.36896 C30H44O4Sn 1 659.44 +12357 2522 2M+Na+K 595776 263.09241760000003 263.09129555375415 581.2200516121611 232.11622960000003 C8H3F3N2O3 1 776.4 +12358 9463 2M+Na+K 854168 631.5865279999999 631.5843177225373 1139.9737305278334 600.61034 C31H36O12 1 840.45 +12359 1470 2M+Na+K 736190 210.063068 210.06308168295323 607.6002215710859 179.08687999999998 C8H12Cl2 0 1026.63 12360 5656 2M+Na+K 212516 402.18262799999997 402.18421482875516 384.6736010138015 371.20644 C13H11BrN2O4S 1 835.03 +12364 1964 2M+Na+K 256975 235.15500800000004 235.15418391162453 511.9809261666179 204.17882000000003 C11H8O4 1 719.47 +12367 2663 2M+Na+K 339800 268.22798800000004 268.22718852346395 720.4688698322792 237.25180000000003 C12H15NO4 1 773.42 +12372 1241 2M+Na+K 480318 197.153388 197.15373004397992 574.2226165671757 166.1772 C8H10N2O2 1 588.67 12373 1226 2M+Na+K 41343 196.1405112 196.14121649341885 583.7212310518823 165.16432319999998 C9H8FNO 1 613.77 +12375 1796 2M+Na+K 292284 227.21912800000004 227.2196947195458 816.7905094459483 196.24294000000003 C11H16O3 1 745.24 +12379 4381 2M+Na+K 587155 341.24401759999984 341.24306349721724 593.4864114430934 310.26782959999986 C16H13F3O3 1 1041.01 +12380 1992 2M+Na+K 304962 237.0981976 237.09810623247378 292.517744130245 206.12200959999998 C7H5F3N2O2 1 607.99 12381 1935 2M+Na+K 102025 234.07601440000002 234.07611574521178 745.4154915192478 203.0998264 C7H3F2NO4 1 655.68 +12383 1847 2M+Na+K 397452 229.23654799999997 229.2355439850773 859.1255068015142 198.26035999999996 C14H14O 1 915.6 12387 780 2M+Na+K 429082 171.112808 171.11289825139912 261.68744044884386 140.13662 C7H8O3 1 675.1 +12393 4928 2M+Na+K 129610 367.377348 367.3759333681083 1064.3942968236272 336.40116 C14H24O7S 1 802.02 12394 5261 2M+Na+K 687329 384.3462879999999 384.3455273711493 1198.5203487287395 353.3700999999999 C23H15NO3 0 943.36 12395 5262 2M+Na+K 687329 384.3462879999999 384.3469014162321 1044.535555170599 353.3700999999999 C23H15NO3 1 943.36 12397 1515 2M+Na+K 481085 212.16472800000005 212.16463755353968 557.5988107193485 181.18854000000005 C9H11NO3 1 648.76 +12398 595 2M+Na+K 348039 160.133228 160.133341890249 417.88429450637204 129.15704 C6H11NO2 1 605.88 12400 9516 2M+Na+K 589059 635.7905280000002 635.7883918015075 257.9055540533823 604.8143400000002 C35H56O8 1 851.72 12401 1645 2M+Na+K 195921 219.15890800000003 219.1590877815685 484.9291710175361 188.18272000000002 C10H8N2O2 1 493.61 +12402 6914 2M+Na+K 379500 461.1647063999998 461.16469078901247 509.23730080191854 430.1885183999998 C6H2F12O4S2 1 620.54 +12410 2617 2M+Na+K 402542 266.212108 266.2112602018015 725.4615532491703 235.23592 C12H13NO4 0 652.19 +12411 2873 2M+Na+K 529515 277.21653119999996 277.21621710320574 644.0208305150051 246.24034319999996 C12H11FN4O 1 618.05 12412 2901 2M+Na+K 569582 279.1580176 279.15918402004877 638.0115596939492 248.18182960000001 C8H3F3N2O2S 1 770.03 12413 4858 2M+Na+K 97481 364.19740799999994 364.1967071914162 527.0359134501656 333.22121999999996 C20H13Br 0 1098.8 12414 3059 2M+Na+K 603713 285.298268 285.29805987492114 947.0098288523932 254.32208000000003 C14H22O4 1 901.62 12415 3282 2M+Na+K 410826 295.13714799999997 295.13652517619374 476.2747522300373 264.16096 C13H14BrN 1 945.01 +12424 7842 2M+Na+K 648851 513.372948 513.3704801907547 1081.3945012780514 482.3967599999999 C24H29Cl2NO5 1 884.46 12425 346 2M+Na+K 262474 143.085609 143.08570247193316 596.6431266894026 112.109421 C6H9P 0 672.71 12426 3105 2M+Na+K 353252 287.2361679999999 287.2368379652704 695.3037886072001 256.2599799999999 C13H12N4O2 1 638.89 +12427 1571 2M+Na+K 102116 215.16536800000003 215.16430349458497 608.76913195141594 184.18918000000002 C9H12O4 1 703.51 +12428 1078 2M+Na+K 295725 187.112208 187.1118065313314 600.3839691838223 156.13602 C7H8O4 1 417.87 +12431 9148 2M+Na+K 247082 606.3813680000001 606.3836102483315 481.3576415401155 575.4051800000001 C26H27BrN2O8 0 716.73 +12433 2721 2M+Na+K 337316 270.243868 270.24288393635123 751.3335704081153 239.26768 C12H17NO4 1 704.49 12434 2619 2M+Na+K 367220 266.25516799999997 266.2556800146377 917.8071616591055 235.27898 C13H17NO3 1 682.08 +12435 1629 2M+Na+K 246584 218.21236800000003 218.21162574462366 1091.9279600448929 187.23618000000002 C9H17NO3 1 647.27 12436 4890 2M+Na+K 596193 365.3447079999999 365.34456222966116 917.9425069893448 334.36851999999993 C20H18N2O3 1 1044.83 12438 2318 2M+Na+K 312022 253.14395759999996 253.1435956370504 527.664078873121 222.16776959999996 C7H9F3N4O 0 693.93 12440 3056 2M+Na+K 357352 285.24188799999996 285.2421577235048 861.5807505386047 254.26569999999998 C9H10N4O3S 1 615.29 +12441 10519 2M+Na+K 272610 753.6681080000001 753.6706621265976 282.0070683154914 722.6919200000001 C36H38N2O14 1 668.24 12442 5053 2M+Na+K 443498 373.2742079999999 373.2738536681839 696.8929751432281 342.2980199999999 C15H18O9 1 761.92 12444 5656 2M+Na+K 183176 402.18262799999997 402.18421482875516 384.6736010138015 371.20644 C13H11BrN2O4S 1 823.16 +12445 2621 2M+Na+K 672567 266.3412880000001 266.34082041142756 330.9934069103587 235.36510000000007 C15H25NO 1 685.58 12448 5176 2M+Na+K 220366 380.213888 380.2145736035136 515.0050458546457 349.2377 C15H10Cl2N4S 1 1001.01 12449 3753 2M+Na+K 46338 314.126068 314.12491416457175 249.82922826719252 283.14988 C14H12Cl2O2 0 901.39 +12450 1645 2M+Na+K 487839 219.15890800000003 219.1590877815685 484.9291710175361 188.18272000000002 C10H8N2O2 1 742.63 12451 5055 2M+Na+K 262906 373.2939911999998 373.2944640024739 626.1930192132531 342.31780319999984 C19H15FO5 1 1113.14 +12452 1761 2M+Na+K 595620 226.0905008 226.0896438089288 356.3919055154786 195.1143128 C7H5F4NO 1 682.18 +12453 6412 2M+Na+K 110891 437.32454799999994 437.3259848230907 686.4530864206997 406.34835999999996 C20H14N4O6 1 797.94 +12455 5783 2M+Na+K 101477 408.3661479999999 408.36758853944605 1081.7276218966363 377.3899599999999 C22H19NO5 1 1059.45 +12456 3347 2M+Na+K 720010 298.172349 298.1727695004561 512.7338043731509 267.196161 C7H10NO6PS 1 264.69 12457 7263 2M+Na+K 233503 480.21890799999994 480.2198690928958 299.8695591282359 449.24271999999996 C16H18Cl2N4O7 0 660.21 +12460 3466 2M+Na+K 657321 302.26734799999997 302.2684758214671 847.223031790785 271.29116 C14H9NO3S 0 937.35 +12461 4071 2M+Na+K 523390 327.2653943999999 327.2640236433667 423.52024058927515 296.2892063999999 C14H10F2O3S 1 973.67 12463 2475 2M+Na+K 513670 261.085989 261.0870647799037 343.97624394677104 230.109801 C5H11O8P-- 1 238.36 +12464 4420 2M+Na+K 517331 343.210348 343.2117426728432 550.9476917172278 312.23416000000003 C16H19Cl2NO 1 632.34 +12465 5298 2M+Na+K 111220 386.2365079999998 386.2374616112612 406.9994487059989 355.2603199999998 C12H13N5O8 1 410.62 +12467 3761 2M+Na+K 251412 314.1789175999999 314.1791778036061 471.47497361441526 283.20272959999994 C13H8F3NO3 1 791.68 +12469 1279 2M+Na+K 201129 199.1444512 199.14428870542454 274.0401389306408 168.16826319999998 C8H9FN2O 1 541.69 12470 3353 2M+Na+K 123190 298.237348 298.2372758892782 760.4617142954044 267.26116 C10H9N3O4S 1 579.36 +12471 1927 2M+Na+K 597508 233.13758800000002 233.13810084722422 496.69816065238524 202.16140000000001 C8H10O6 1 634.28 12472 5897 2M+Na+K 81980 414.20212799999996 414.2021528388569 472.1821424772126 383.22594 C17H16Cl2N2O4 0 1043.06 +12473 4260 2M+Na+K 51265 335.27742799999993 335.2790728131788 827.4923634172569 304.30123999999995 C14H16N4O4 1 641.96 12475 4846 2M+Na+K 260243 363.2793879999999 363.2800619411895 906.1202200501077 332.30319999999995 C14H20O9 1 824.12 +12476 1796 2M+Na+K 396508 227.219128 227.2196947195458 816.7905094459483 196.24294 C11H16O3 1 864.84 12478 3282 2M+Na+K 435672 295.137148 295.13652517619374 476.2747522300373 264.16096000000005 C13H14BrN 1 784.59 12479 2829 2M+Na+K 116846 275.22216799999995 275.221331495178 677.0706025974843 244.24597999999995 C13H12N2O3 1 658.58 12480 2177 2M+Na+K 224531 246.23060799999996 246.22972838827144 842.8457622243991 215.25441999999995 C11H13N5 1 716.93 @@ -2365,20 +6443,47 @@ 12483 3545 2M+Na+K 728122 305.2481479999999 305.2470941689405 702.8997180773499 274.2719599999999 C14H14N2O4 1 806.53 12484 4934 2M+Na+K 576525 368.14480799999995 368.1452830896868 243.6109650543632 337.16862 C14H13BrN2O3 1 827.64 12485 1850 2M+Na+K 365136 230.012948 230.01190666742312 220.5964114706957 199.03676 C8H4Cl2N2 1 820.17 +12486 2155 2M+Na+K 727054 245.15995759999998 245.16074713788547 191.22820798319088 214.18376959999998 C11H9F3O 0 1058.91 +12487 2909 2M+Na+K 90417 279.250628 279.2511343429997 792.0386175369813 248.27444 C14H16O4 1 873.82 12488 3211 2M+Na+K 262187 292.1004512 292.10178946174506 374.835845038891 261.12426320000003 C6H4FN5O6 1 621.64 +12492 4869 2M+Na+K 547133 364.35840799999994 364.3570061591094 969.1797750757607 333.38221999999996 C17H23N3O4 1 431.16 12493 2665 2M+Na+K 210359 268.2725879999999 268.27140876508406 917.475659402694 237.29639999999995 C16H15NO 1 825.22 12494 5448 2M+Na+K 190233 392.264348 392.2638244507839 490.66844079333015 361.28816 C18H14Cl2N2S 1 1356.25 +12496 441 2M+Na+K 441664 150.100188 150.09965735361789 430.58041740815145 119.124 C6H5N3 0 462.4 12498 3526 2M+Na+K 636794 305.0873679999999 305.0888623921976 402.7328772519802 274.11117999999993 C10H12BrNO3 1 821.41 12499 5830 2M+Na+K 565122 411.09025759999986 411.08885422319196 319.42131896644156 380.1140695999999 C13H9BrF3NO4 0 965.86 +12501 7695 2M+Na+K 671742 505.12154799999996 505.11916619639146 590.4459193078347 474.14536 C20H14Br2N2O2 1 1113.37 12509 2752 2M+Na+K 421819 272.111929 272.11275084933305 259.12605021496586 241.135741 C6H12NO7P 1 107.38 +12511 897 2M+Na+K 437704 178.106988 178.10762859621948 235.78955249884484 147.1308 C8H5NO2 1 690.78 +12512 3663 2M+Na+K 198477 310.1373679999999 310.136917715073 558.671424418103 279.16117999999994 C15H12Cl2O 1 1263.69 +12513 340 2M+Na+K 248747 143.01658799999998 143.01636646717506 244.7940118715865 112.04039999999998 C4O4-- 0 528.66 +12515 2254 2M+Na+K 220326 250.172948 250.1737350575201 595.3202840471147 219.19675999999998 C10H9N3O3 1 632.07 +12516 1677 2M+Na+K 488364 221.1385576 221.1382777062018 393.89353093061703 190.1623696 C9H9F3O 1 878.38 12518 3819 2M+Na+K 551016 317.090248 317.0900437519497 763.1805373031449 286.11406 C11H9Cl2N3O2 0 689.36 +12525 8962 2M+Na+K 291433 588.4980679999998 588.5009586066593 1104.7397104992747 557.5218799999998 C20H42N2S4Sn 1 977.12 +12526 1980 2M+Na+K 245012 236.149668 236.14911929075677 434.18815570735916 205.17347999999998 C8H7N5O2 0 555.39 12532 2215 2M+Na+K 333675 248.198588 248.1984539554595 823.2507251673491 217.2224 C8H15N3O4 1 417.66 +12536 5940 2M+Na+K 307307 416.2273679999999 416.22760958440807 605.2396375853136 385.2511799999999 C20H17BrO3 1 1357.52 +12537 1415 2M+Na+K 126108 206.987428 206.98804517159869 1277.7067352961021 176.01124 C5H6BrNO 1 719.39 +12538 2828 2M+Na+K 606603 275.203529 275.2045175744496 476.5793191517112 244.227341 C10H17N2O3P 1 658.46 12541 2235 2M+Na+K 94000 249.184888 249.1850257587683 752.2334638983677 218.2087 C11H10N2O3 1 623.46 +12544 1983 2M+Na+K 500266 236.186128 236.1854769131586 495.14005132320506 205.20994 C11H11NO3 0 664.61 +12546 1639 2M+Na+K 241495 219.10443440000003 219.1050247340982 443.7811036334622 188.12824640000002 C8H6F2O3 1 724.02 +12547 2403 2M+Na+K 26536 257.157448 257.1570904942761 628.2935369819478 226.18126 C7H14O8 0 262.81 +12548 1175 2M+Na+K 205891 193.06982119999998 193.06908373389393 301.0296037431133 162.09363319999997 C7H4FNaO2 1 656.43 +12551 2069 2M+Na+K 243884 241.12665760000004 241.1262777215141 464.42209625191776 210.15046960000004 C8H9F3O3 1 693.38 12553 3801 2M+Na+K 621759 316.120488 316.12109399138876 414.36367928338456 285.14430000000004 C9H10Cl2O4S 1 864.54 +12554 2790 2M+Na+K 338760 274.073328 274.074483289789 283.16095939875964 243.09714000000002 C10H11BrO2 1 813.82 +12555 4747 2M+Na+K 489950 359.12507800000003 359.12354870754655 311.52412562472125 328.14889000000005 C12H13IN2O 1 678.74 12556 7264 2M+Na+K 192993 480.242888 480.24228103419784 493.43517423382895 449.2667 C18H15S3Sb 0 712.24 12557 7265 2M+Na+K 192993 480.242888 480.2436920474169 511.4919850869616 449.2667 C18H15S3Sb 0 712.24 +12560 1847 2M+Na+K 351334 229.23663119999998 229.2355439850773 859.1255068015142 198.26044319999997 C9H11FN2S 1 704.52 +12562 897 2M+Na+K 251673 178.106988 178.10762859621948 235.78955249884484 147.1308 C8H5NO2 1 633.94 12563 2032 2M+Na+K 178040 239.16525120000003 239.16431149012712 575.475151669943 208.18906320000002 C10H9FN2O2 0 679.28 +12564 7289 2M+Na+K 341420 481.8854679999999 481.88610534461014 1287.3103776491284 450.9092799999999 C23H27ClO7 1 745.02 +12565 1964 2M+Na+K 319507 235.15500800000004 235.15418391162453 511.9809261666179 204.17882000000003 C11H8O4 1 686.1 12566 2158 2M+Na+K 473646 245.18477439999998 245.1858890236954 342.45679852214056 214.20858639999997 C11H12F2O2 1 642.88 +12568 2720 2M+Na+K 186576 270.230548 270.22961857233213 664.0693733790251 239.25436 C8H9N5O2S 1 601.71 12569 6551 2M+Na+K 661077 444.2248079999998 444.22382531952996 530.0904113656417 413.24861999999985 C19H18Cl2O6 1 880.83 12570 2898 2M+Na+K 250069 279.1348776 279.13396747333627 827.6593808251727 248.1586896 C9H7F3N2O3 0 746.14 12571 2899 2M+Na+K 250069 279.1348776 279.1341454760977 343.57650691043483 248.1586896 C9H7F3N2O3 0 746.14 @@ -2388,246 +6493,621 @@ 12575 8159 3M+Na+K 53790 533.2964579999999 533.2949024864332 620.2254338461946 334.88017999999994 C20H27ClO2 1 1177.3 12580 4808 3M+Na+K 199592 361.29342239999994 361.29423438900244 658.022169395471 220.21148959999996 C9H7F3OS 1 924.4 12581 3295 3M+Na+K 661530 295.261668 295.26289164735294 883.0555311015071 176.19032 C6H8O4S 1 646.39 +12582 4427 3M+Na+K 661921 343.297008 343.29557207264924 759.5925852661552 208.21388000000002 C10H12N2O3 1 342.95 +12583 5401 3M+Na+K 344309 391.10920799999997 391.10814028972567 809.0026121124629 240.08868 C10H7Cl2N3 1 902.73 +12584 9501 3M+Na+K 738971 634.8361980000001 634.8364635252993 1255.7298612755212 402.5733400000001 C21H26N2O2S2 1 818.04 12585 2506 3M+Na+K 379931 262.15639799999997 262.15531670035284 360.3200501502017 154.12014 C7H6O4 1 497.65 +12586 4349 3M+Na+K 304962 340.15920239999997 340.1575995679777 478.6151517656169 206.12200959999998 C7H5F3N2O2 1 607.99 12588 4159 3M+Na+K 493218 331.1688195 331.1690849956546 346.5886682637306 200.128421 C8H9O4P-- 1 626.45 12589 7614 3M+Na+K 269339 499.32691799999986 499.32725316292505 688.0872225279435 312.2338199999999 C15H8N2O6 1 696.63 12592 4923 3M+Na+K 666238 367.258968 367.2587669787855 429.2783661953423 224.18852 C6H8O7S 1 467.64 +12593 4927 3M+Na+K 177632 367.32347279999993 367.3241806124694 858.5478785705199 224.23152319999997 C11H13FN2O2 1 627.72 +12594 2260 3M+Na+K 205263 250.2153528 250.21416536718792 860.0393599481579 146.1594432 C7H11FO2 1 798.63 12598 9544 3M+Na+K 490653 638.4384780000001 638.4362183130128 1027.5545362510975 404.9748600000001 C26H29ClN2 1 892.58 +12599 4799 3M+Na+K 204874 361.1990724 361.20066005610283 543.8933269568697 220.14858959999998 C8H7F3N2O2 1 648.51 +12601 6952 3M+Na+K 196682 463.1910767999999 463.19266698642423 216.26954270787104 288.14325919999993 C10H6F6O3 1 844.76 +12603 7938 3M+Na+K 660313 518.3427179999999 518.3401883259562 967.3466483945429 324.91101999999995 C7H3Br2NO4 1 776.29 +12609 10577 3M+Na+K 662246 760.4663280000002 760.4630600043795 846.1683704490364 486.32676000000015 C22H34Br2N2 0 1272.12 +12611 6064 3M+Na+K 274506 421.27966799999996 421.2801367298945 364.99637571807193 260.20232 C12H8N2O5 0 462.94 12614 2193 3M+Na+K 31252 247.169118 247.16956084169678 605.6341626063007 144.12861999999998 C5H8N2O3 1 608.9 12615 8646 3M+Na+K 139519 565.5623879999999 565.5649259921504 1147.5181773250113 356.39079999999996 C16H20O7S 1 923.44 +12616 2585 3M+Na+K 295725 265.18021799999997 265.17981903401227 588.3639424604254 156.13602 C7H8O4 1 417.87 +12618 5500 3M+Na+K 504959 394.31638799999996 394.31512740643586 873.4420927283813 242.22679999999997 C14H10O4 1 772.22 +12619 5501 3M+Na+K 504959 394.31638799999996 394.3161771827351 852.5858583402232 242.22679999999997 C14H10O4 1 772.22 +12620 5276 3M+Na+K 508498 385.2219195 385.2217228502941 572.1970735107489 236.163821 C10H9N2O3P 1 476.37 12624 680 3M+Na+K 46177 166.09804800000003 166.09805826576456 205.58920488375537 90.08124000000001 C2H6N2O2 1 250.8 12625 7957 3M+Na+K 32028 519.7289880000002 519.7272105331467 241.85736245567176 325.83520000000016 C19H20ClN3 1 652.06 +12626 8954 3M+Na+K 992 588.2878979999999 588.2864531666711 358.20473148449094 371.5411399999999 C15H21N3O2S3 0 655.36 +12627 3518 3M+Na+K 103509 304.30072800000005 304.2997462617335 747.2738379549876 182.21636000000004 C10H14O3 1 879.16 +12628 3295 3M+Na+K 260889 295.2615827999999 295.26289164735294 883.0555311015071 176.19026319999998 C10H9FN2 1 718.93 +12629 1663 3M+Na+K 280008 220.205838 220.2058834196385 728.1524406192731 126.1531 C7H10O2 1 640.28 +12630 2514 3M+Na+K 472035 262.253388 262.253031531197 874.966816546295 154.1848 C4H10O4S 1 312.54 +12631 9017 3M+Na+K 541104 594.2264580000002 594.2284097327242 306.87577663088786 375.5001800000001 C19H37NO6 1 782.59 +12632 6449 3M+Na+K 584960 439.3553579999999 439.354274761588 1008.3087463739985 272.25278 C15H12O5 1 757.32 +12633 6853 3M+Na+K 274612 457.3068179999999 457.3072340714001 1020.6617141967287 284.22041999999993 C15H8O6 1 784.78 12635 10739 3M+Na+K 559544 777.2123879999999 777.2114239162469 1072.2481139587958 497.4908 C20H35NO13 0 621.36 12636 6107 3M+Na+K 195261 423.241518 423.24092941631704 477.2557409877692 261.51022 C6H3Cl3O3S 1 860.51 12637 10119 3M+Na+K 233503 704.8402679999999 704.837556481231 419.30671129038444 449.24271999999996 C16H18Cl2N4O7 1 660.21 12639 8518 3M+Na+K 344863 556.4684279999999 556.4677506670183 1135.559211874448 350.32815999999997 C18H14N4O4 1 752.27 12640 5103 3M+Na+K 513670 376.14088949999996 376.1423730489674 528.751580601463 230.109801 C5H11O8P-- 1 238.36 +12641 7614 3M+Na+K 517331 499.32742800000005 499.32725316292505 688.0872225279435 312.23416000000003 C16H19Cl2NO 1 632.34 +12642 4303 3M+Na+K 236958 337.31395799999996 337.31405175166674 883.9621578084118 204.22518 C11H12N2O2 1 499.22 +12643 8549 3M+Na+K 143106 559.250598 559.250728019043 369.8644144126089 352.18294000000003 C8H6ClHgN 1 313.89 +12644 4229 3M+Na+K 597508 334.21828800000003 334.2169571399549 847.4307032539372 202.16140000000001 C8H10O6 1 634.28 +12645 4926 3M+Na+K 211673 367.296108 367.2952108430998 695.8885322237194 224.21328000000003 C10H12N2O4 1 632.79 +12646 6580 3M+Na+K 57616 445.3456679999998 445.3453877436503 971.8873991275613 276.2463199999999 C16H8N2O3 1 917.75 +12647 11785 3M+Na+K 548701 916.7082179999996 916.707279688833 1076.5307689894887 590.4880199999998 C21H18O16S2-- 1 791.59 +12648 4188 3M+Na+K 500249 332.93722800000006 332.93613620896815 1219.5532176958934 201.30736000000005 C14H19N 1 654.74 +12649 6128 3M+Na+K 48935 424.36312799999985 424.36267518268045 890.2557677856005 262.2579599999999 C14H14O5 1 952.31 12650 5480 3M+Na+K 735418 394.1447579999999 394.142865574746 425.3680179016036 242.11237999999997 C10H12BrNO 1 687.1 12651 9457 3M+Na+K 321399 631.3428315 631.3436992014159 702.404293826646 400.24442899999997 C15H21IN2O3 1 651.78 +12652 9458 3M+Na+K 321399 631.3428315 631.345834321856 744.9205058822128 400.24442899999997 C15H21IN2O3 1 651.78 12655 6002 3M+Na+K 10767 418.323078 418.3219122457655 729.5326509529618 258.23126 C9H14N4O5 1 62.62 +12656 7838 3M+Na+K 702223 513.296958 513.2986867079369 673.485435113412 321.54718 C10H7Cl3N4O2 1 811.6 +12657 5795 3M+Na+K 552590 409.2075167999999 409.20605664151265 468.9811803959028 252.15421919999994 C8H10F6O2 1 858.04 +12658 5796 3M+Na+K 552590 409.2075167999999 409.2071650784957 353.70975746601783 252.15421919999994 C8H10F6O2 1 858.04 12662 5306 3M+Na+K 399450 387.0227279999999 387.0240008891324 223.4610456072146 237.36435999999995 C12H19N3S 0 934.13 12663 5500 3M+Na+K 377749 394.31638799999996 394.31512740643586 873.4420927283813 242.22679999999997 C14H10O4 1 802.73 12664 5501 3M+Na+K 377749 394.31638799999996 394.3161771827351 852.5858583402232 242.22679999999997 C14H10O4 1 802.73 +12668 6251 3M+Na+K 138184 430.160178 430.16224823712884 272.50508826639526 266.12266 C13H9Cl2NO 1 949.53 +12670 6561 3M+Na+K 612164 444.8647679999999 444.86402280690726 1230.0045895383178 275.92571999999996 C4H8CuN2S4++ 0 803.18 +12671 6581 3M+Na+K 207268 445.4079479999999 445.40718865404165 974.9317639935387 276.28783999999996 C14H16N2O4 1 678.26 +12672 6084 3M+Na+K 708510 422.17633800000004 422.17733612977304 183.62568562599466 260.80010000000004 C14H25ClO2 1 1193.76 12679 9333 3M+Na+K 324509 621.192048 621.1924219679797 262.9263937140006 393.47724000000005 C20H31N3O5 1 580.43 +12680 4808 3M+Na+K 316375 361.29505199999994 361.29423438900244 658.022169395471 220.21257599999996 C6H9F5OSi 1 1074.8 +12683 7882 3M+Na+K 405483 516.116928 516.1160916305571 826.1380161391909 323.42716 C18H29NO4 1 714.23 12685 4166 3M+Na+K 317268 331.26631799999996 331.267210336895 672.749406582 200.19342 C11H8N2O2 1 653.08 +12686 3952 3M+Na+K 219019 322.2719879999999 322.27142179480387 845.8319901856388 194.19719999999995 C6H10N8 1 528.85 12687 7615 3M+Na+K 8739 499.3318679999998 499.3302487706175 867.3878714769908 312.2371199999999 C14H8N4O5 1 716.36 12688 1663 3M+Na+K 31238 220.205838 220.2058834196385 728.1524406192731 126.1531 C7H10O2 1 651.49 +12689 2506 3M+Na+K 426056 262.15639799999997 262.15531670035284 360.3200501502017 154.12014 C7H6O4 1 612.15 +12691 3223 3M+Na+K 389173 292.203138 292.20192232880606 249.15718763866164 174.15130000000002 C7H10O5 1 652.7 +12694 6363 3M+Na+K 701363 434.8817627999998 434.8818064756075 739.9856078751284 269.2703831999999 C16H12FNO2 0 830.38 +12698 1226 3M+Na+K 9060 196.142148 196.14121649341885 583.7212310518823 110.11063999999999 C6H6O2 1 661.47 12699 4048 3M+Na+K 591209 327.016458 327.01627406902855 528.5045400015861 197.36018 C13H27N 1 887.37 +12703 4424 3M+Na+K 178040 343.25978280000004 343.25894077709927 633.1721138043118 208.18906320000002 C10H9FN2O2 1 679.28 +12706 5683 3M+Na+K 250069 403.2142224 403.215483521385 553.3889574353913 248.1586896 C9H7F3N2O3 1 746.14 +12708 373 M+Na+K 201995 145.097828 145.09726366446117 178.49601770878047 228.24328 C14H12O3 1 875.85 12709 374 M+Na+K 201995 145.097828 145.09784944556668 879.113492647376 228.24328 C14H12O3 1 875.85 12711 218 M+Na+K 412758 133.10199799999998 133.10146258723282 500.8385924292099 204.25161999999997 C9H8N4S 0 365.5 +12712 3906 M+Na+K 646459 320.2363079999999 320.23494701722063 917.5417116095999 578.5202399999998 C30H26O12 1 772.69 +12714 215 M+Na+K 256975 133.06559800000002 133.065038485126 450.71052169146037 204.17882000000003 C11H8O4 1 719.47 12720 1625 M+Na+K 122516 218.1476679999999 218.14672872565288 520.7302369948391 374.3429599999998 C22H14O6 1 808.34 +12721 180 M+Na+K 511273 130.065838 130.06545136354188 430.1436231443003 198.1793 C7H10N4O3 0 491.95 +12724 4505 M+Na+K 599730 347.25933800000007 347.25795473817874 625.0539129892377 632.5663000000002 C23H40N2O18 1 198.11 12727 182 M+Na+K 383684 130.08648799999997 130.08650909599828 188.66290173421612 198.22059999999996 C12H10N2O 1 680.4 12731 2205 M+Na+K 241916 248.10525239999996 248.10560798616166 680.80684728432 434.2581287999999 C12H15F9N4O3 0 663.23 12732 151 M+Na+K 220675 127.094998 127.09485248734397 250.58803763774245 192.23762 C9H8N2OS 1 567.16 +12733 230 M+Na+K 625182 134.096718 134.09671630919044 387.15483887873677 206.24106 C11H14N2O2 0 647.79 +12734 840 M+Na+K 196682 175.04781759999997 175.04805317489286 1114.9676039907322 288.14325919999993 C10H6F6O3 1 844.76 +12735 308 M+Na+K 687626 140.14347800000002 140.1436705752185 219.2385239386058 218.33458000000005 C15H22O 1 1104.71 +12736 863 M+Na+K 583161 176.09945959999996 176.09994019955556 426.01693896462893 290.2465431999999 C14H11FN2O4 1 648.6 12738 474 M+Na+K 504959 152.089588 152.09017300420012 248.71337921448955 242.22679999999997 C14H10O4 1 772.22 12739 1410 M+Na+K 671367 206.13861799999995 206.1386457363423 474.6186057771123 350.3248599999999 C19H14N2O5 0 892.06 +12740 779 M+Na+K 586022 171.11196959999998 171.1125371265872 773.1187104229499 280.27156319999995 C13H9FO4S 1 873.58 12743 2868 M+Na+K 226415 277.164393 277.1641967014699 416.4592554498901 492.3764100000001 C20H21IN4OS 1 851.43 +12744 1262 M+Na+K 596193 198.16044799999997 198.1602434179106 224.61365928803033 334.36851999999993 C20H18N2O3 1 1044.83 +12745 563 M+Na+K 187362 158.096588 158.09657688284722 334.0569549505673 254.24079999999998 C14H10N2O3 0 662.9 12747 1025 M+Na+K 99755 184.13386799999998 184.133319002939 377.7078436152139 306.31535999999994 C18H14N2O3 1 890.99 12748 594 M+Na+K 525655 160.1199396 160.12031708728205 717.7096333210077 258.2875032 C16H15FO2 1 969.91 12749 217 M+Na+K 615851 133.087128 133.08652356372062 293.26585039854683 204.22188 C12H12O3 1 768.12 +12757 4925 M+Na+K 848657 367.28042800000014 367.2811999617223 938.3824146020279 672.6084800000003 C28H32O17S 1 711.36 +12761 209 M+Na+K 202797 132.9959796 132.99552779849083 1211.2475229651259 204.03958319999998 C7H7BrFN 0 590.9 +12762 241 M+Na+K 560415 135.08070800000002 135.08066110986886 428.73051803011947 208.20904000000004 C8H16O6 1 605.08 12763 332 M+Na+K 540717 142.09806799999998 142.0977164701916 186.40301473544974 222.24375999999998 C10H14N4O2 1 190.55 +12768 1242 M+Na+K 224832 197.16495799999996 197.16496041845156 308.31983683171995 332.3775399999999 C15H16N4O3S 1 710.3 12769 944 M+Na+K 661174 180.12121799999994 180.12098132143868 253.31523902593065 298.29005999999987 C17H14O5 1 698.49 +12770 1843 M+Na+K 694829 229.195248 229.19487346943342 677.1612645020398 396.43811999999997 C18H28N4O6 1 592.34 +12783 6738 M+Na+K 849809 452.39475799999997 452.39326724493543 1069.0518695444348 842.83714 C45H46O16 1 1109.49 12784 6739 M+Na+K 849809 452.39475799999997 452.3945581986545 1046.9871612242896 842.83714 C45H46O16 1 1109.49 12785 1653 M+Na+K 385846 220.107108 220.10784766242887 272.15878905757705 378.26184 C21H16BrNO 1 1031.83 12786 2712 M+Na+K 851629 270.1776279999999 270.1779971289455 554.3554357165823 478.40287999999987 C22H22O12 1 653.45 +12787 1625 M+Na+K 632220 218.14766799999995 218.14672872565288 520.7302369948391 374.3429599999999 C22H14O6 1 848.61 +12788 952 M+Na+K 439355 180.16427799999997 180.16498563787653 319.38218065827544 298.3761799999999 C19H22O3 1 1328.64 +12789 429 M+Na+K 167695 149.132008 149.13265437896072 562.651661524138 236.31164 C16H16N2 1 617.39 +12790 1014 M+Na+K 191427 183.63578119999997 183.63590347589894 535.6646157056596 305.3191863999999 C17H17F2NO2 1 1075.68 +12796 535 M+Na+K 488862 156.08500279999998 156.0850433966796 216.97607324756027 250.21762959999995 C10H13F3N2O2 0 862.56 12797 3814 M+Na+K 260589 316.2469480000001 316.2484075258055 632.4985992734071 570.5415200000002 C22H38N2O15 1 567.65 +12798 800 M+Na+K 407040 172.133968 172.13335948318172 670.1090300795757 282.31556 C12H14N2O4S 1 691.82 +12799 1953 M+Na+K 486590 235.060468 235.0602680366799 393.1870883671127 408.16855999999996 C16H24Br2O2 0 1322.75 +12800 1199 M+Na+K 489950 195.05063300000003 195.05004436032118 655.1583525291586 328.14889000000005 C12H13IN2O 1 678.74 +12813 8080 2M+ACN+Na 595776 528.2482272000001 528.2475724209071 216.68427670352128 232.11622960000003 C8H3F3N2O3 1 776.4 12817 10549 2M+ACN+Na 262804 756.6814879999996 756.6810184785925 212.6337120655054 346.3328599999998 C21H14O5 1 1195.14 +12818 2904 2M+ACN+Na 378857 279.179568 279.17982337075284 508.60348849109334 107.5819 C4H10ClN 1 343.49 12819 10117 2M+ACN+Na 391249 704.5104879999999 704.5134825952642 829.0826664472395 320.24735999999996 C15H14BrNS 1 1019.77 12820 5181 2M+ACN+Na 69705 380.33584799999994 380.33658638818224 961.0155139378131 158.16003999999998 C8H6N4 1 436.93 +12821 11010 2M+ACN+Na 66102 808.5807279999997 808.5809388096355 1121.4604473813115 372.28247999999985 C18H12O9 1 752.98 +12822 11011 2M+ACN+Na 66102 808.5807279999997 808.5840259131849 721.6278683003608 372.28247999999985 C18H12O9 1 752.98 12823 8331 2M+ACN+Na 344309 544.193128 544.1911676758612 266.999129712967 240.08868 C10H7Cl2N3 1 902.73 +12824 8547 2M+ACN+Na 583801 558.509008 558.5078656429406 1121.6384478051211 247.24662 C13H13NO4 1 731.6 +12826 5027 2M+ACN+Na 379931 372.25604799999996 372.25646581673163 938.6294996794277 154.12014 C7H6O4 1 497.65 12830 11807 2M+ACN+Na 818255 921.307008 921.3093885317304 1195.911052753996 428.64562 C25H48O5 1 1148.76 12831 9338 2M+ACN+Na 582968 621.397848 621.3981567260898 698.3735189550313 278.69104 C13H11ClN2O3 1 666.69 +12832 10608 2M+ACN+Na 674727 762.8682080000001 762.8691812468423 361.262318918431 349.42622000000006 C21H23N3O2 1 1046.46 +12834 4537 2M+ACN+Na 801 349.18152799999996 349.18033768689253 859.4788818394853 142.58288 C7H7ClO 1 734.64 +12835 8697 2M+ACN+Na 579449 569.3531744000001 569.3505708482612 729.9334680728167 252.6687032 C13H10ClFO2 0 934.16 +12836 5523 2M+ACN+Na 593418 395.25480799999997 395.2529824193143 434.95937228582346 165.61952 C9H8ClN 1 685.23 +12837 5524 2M+ACN+Na 593418 395.25480799999997 395.2540388251731 537.5481822335548 165.61952 C9H8ClN 1 685.23 +12838 6778 2M+ACN+Na 120162 454.280368 454.27913360146636 607.0235698468109 195.13230000000001 C7H5N3O4 1 642.33 12839 8117 2M+ACN+Na 171679 530.4690479999999 530.4671060750406 1212.4944964467097 233.22663999999997 C10H11N5O2 1 675.64 +12842 10480 2M+ACN+Na 137437 748.8763280000001 748.8764788502315 694.7869931223827 342.43028000000004 C24H22O2 1 1133.06 12843 10481 2M+ACN+Na 137437 748.8763280000001 748.8792238176828 685.673500563031 342.43028000000004 C24H22O2 1 1133.06 12844 9916 2M+ACN+Na 137924 682.3900879999999 682.3870868538198 369.5717670936523 309.18715999999995 C16H14Cl2O2 1 1093.05 +12845 8181 2M+ACN+Na 402542 534.487608 534.4867827734761 1101.0926461876284 235.23592 C12H13NO4 0 652.19 +12846 4844 2M+ACN+Na 518261 363.25292799999994 363.2526533894427 605.9868091077733 149.61857999999998 C6H12ClNO 1 48.63 +12852 8787 2M+ACN+Na 702569 574.516688 574.5179808527563 1071.976230919464 255.25046 C9H9N3O4S 1 676.05 +12854 8221 2M+ACN+Na 203915 536.3051472000001 536.307100708203 570.5791558767517 236.14468960000002 C9H7F3O4 1 818.01 +12855 8911 2M+ACN+Na 661315 585.360688 585.3583447545834 1028.90792477976 260.67246 C14H9ClO3 1 849.99 12856 8460 2M+ACN+Na 29382 553.368488 553.3683735516655 1102.5224653124378 244.67636 C13H9ClN2O 0 944.67 12860 10243 2M+ACN+Na 496197 720.8397279999998 720.8414983605513 316.23646498360756 328.4119799999999 C15H12N4OS2 1 741.2 12861 8809 2M+ACN+Na 353252 576.5357279999998 576.535130696872 1151.6713419229523 256.2599799999999 C13H12N4O2 0 638.89 12863 5347 2M+ACN+Na 196340 388.34313439999994 388.3420665190532 996.6195190637203 162.16368319999998 C9H7FN2 1 572.85 +12864 6753 2M+ACN+Na 257346 453.25112799999994 453.2505533622576 548.4483107117148 194.61767999999998 C9H7ClN2O 0 633.09 +12865 6754 2M+ACN+Na 257346 453.25112799999994 453.2518458524539 578.3610876290597 194.61767999999998 C9H7ClN2O 0 633.09 12868 6334 2M+ACN+Na 636776 433.26148800000004 433.26049334077766 728.0245666648137 184.62286000000003 C8H9ClN2O 1 720.84 +12869 6335 2M+ACN+Na 636776 433.26148800000004 433.26170187647267 592.6322510669634 184.62286000000003 C8H9ClN2O 1 720.84 12870 9221 2M+ACN+Na 353986 613.1627679999999 613.1622882551239 968.2921643840095 274.57349999999997 C12H10Cl3N 1 1011.07 +12874 5395 2M+ACN+Na 123964 390.282768 390.2842896589099 624.765871344913 163.1335 C7H5N3O2 1 556.91 +12875 4293 2M+ACN+Na 639588 337.17588799999993 337.17563185440855 418.22663788895164 136.58005999999997 C4H9ClN2O 1 75.67 +12876 8981 2M+ACN+Na 408600 590.3492879999999 590.3521090903723 631.9610823008929 263.16675999999995 C8H4Cl2N2S2 1 1000.6 12880 8077 2M+ACN+Na 359010 528.235248 528.2329102114453 441.71096647732645 232.10974 C9H11Cl2N3 1 560.83 12881 3816 2M+ACN+Na 280008 316.32196799999997 316.3204938582155 810.2639712139228 126.1531 C7H10O2 1 640.28 +12882 12566 2M+ACN+Na 101722 1048.019008 1048.0163527309353 768.6886067498177 492.00161999999995 C12H18Br3N3O3 0 673.83 +12888 7182 2M+ACN+Na 331948 475.3030079999999 475.3039334612601 664.7190193447285 205.64361999999997 C10H8ClN3 1 681.58 12891 8652 2M+ACN+Na 386955 566.171448 566.173654827811 896.2326318767053 251.07784 C7H11BrN2O3 0 336.6 12892 9386 2M+ACN+Na 729595 626.6275679999998 626.6274938814431 276.01722682196953 281.3058999999999 C17H15NO3 1 1062.04 +12893 12330 2M+ACN+Na 622462 1003.2868679999998 1003.2818878860478 1030.8429449841246 469.6355499999999 C24H32NNaO3S2 0 962.65 +12897 6982 2M+ACN+Na 559027 464.3367471999998 464.33711261506147 595.3055751018799 200.16048959999992 C9H7F3N2 1 770.37 12898 5247 2M+ACN+Na 514410 384.18362999999994 384.1836412904047 582.9087283552238 160.08393099999998 C4H10NaO3P 1 469.14 +12899 12073 2M+ACN+Na 713463 958.7825700000001 958.7809588501106 1178.735707089138 447.38340100000005 C15H26N7O7P 0 584.69 +12903 11705 2M+ACN+Na 383357 908.2368879999998 908.2373359204136 1058.0124974917287 422.1105599999999 C18H14Br2O2 1 1211.84 +12904 9064 2M+ACN+Na 123190 598.538088 598.5397434331132 1102.6136484025087 267.26116 C10H9N3O4S 1 579.36 12905 5048 2M+ACN+Na 553985 373.202928 373.20423175944575 601.5636284329905 154.59358 C8H7ClO 1 797.43 12906 4455 2M+ACN+Na 306326 345.146688 345.1459467931107 607.3892912964825 140.56546 C4H9ClO3 0 458.58 +12912 11298 2M+ACN+Na 520076 845.9092480000003 845.9053468840472 368.8644389080459 390.94674000000015 C22H31ClN2O2 1 641.56 12913 8684 2M+ACN+Na 552590 568.3242063999999 568.323783848469 284.2379486063327 252.15421919999994 C8H10F6O2 1 858.04 12918 10235 2M+ACN+Na 617525 720.2245279999999 720.2237952656353 353.81973323052597 328.10437999999994 C13H7Cl2NO5 1 888.05 12921 6584 2M+ACN+Na 698905 446.081888 446.08281148190065 959.1151057938118 191.03306 C3H4Cl2O3S 0 762.38 12926 6091 2M+ACN+Na 558536 422.2881679999999 422.2902632025526 647.6016224168116 179.13619999999997 C6H5N5O2 0 270.14 +12933 2097 2M+ACN+Na 349793 242.21131767599996 242.21153125400784 548.5654962144907 89.09777483799999 C4H8O2 1 483.46 12935 8359 2M+ACN+Na 421819 546.28725 546.2891414610053 561.6076955535486 241.135741 C6H12NO7P 0 107.38 12936 7370 2M+ACN+Na 614240 486.23074999999994 486.2319986454976 479.7826209204672 211.10749099999998 C7H9NaO4P+ 1 93.17 12937 10887 2M+ACN+Na 255447 794.6020479999996 794.602994797146 1036.9817798677786 365.2931399999998 C19H11NO7 0 701.36 +12942 5249 2M+ACN+Na 476089 384.1862 384.18758319721417 204.36858804721172 160.085216 C5H5F5 1 575.76 +12943 10937 2M+ACN+Na 660034 801.1698480000002 801.1718383203148 1000.032461490467 368.5770400000001 C20H36N2O2S 1 1148.18 +12946 12021 2M+ACN+Na 658435 950.7467279999996 950.7447129787522 1103.8322028925952 443.3654799999998 C22H12Cl2O2S2 0 1215.07 +12947 8547 2M+ACN+Na 100077 558.509008 558.5078656429406 1121.6384478051211 247.24661999999998 C13H13NO4 1 661.54 12948 5868 2M+ACN+Na 265791 412.32496799999996 412.323988550925 1005.9202001602439 174.1546 C6H10N2O4 1 123.26 +12949 12472 2M+ACN+Na 118891 1029.3220879999997 1029.3172685238683 1144.9295703956777 482.65315999999984 C24H34O6S2 1 1101.67 12950 6560 2M+ACN+Na 244553 444.406368 444.4048033801017 1012.1431264619087 190.1953 C11H10O3 1 783.2 +12953 3816 2M+ACN+Na 31238 316.32196799999997 316.3204938582155 810.2639712139228 126.1531 C7H10O2 1 651.49 12954 9869 2M+ACN+Na 704454 676.435088 676.4319202245854 504.7171596993215 306.20966 C15H9Cl2NS 0 1280.76 12955 6872 2M+ACN+Na 553686 458.2396672 458.2377575597143 626.0718168627816 197.1119496 C6H6F3NO3 0 580.09 12956 6873 2M+ACN+Na 553686 458.2396672 458.239074131242 587.5727505045193 197.1119496 C6H6F3NO3 1 580.09 +12962 7483 2M+ACN+Na 339761 492.32577 492.32422597919987 928.1023003576054 214.155001 C9H11O4P 1 740.58 +12965 5867 2M+ACN+Na 389173 412.318368 412.31949119185833 609.5082376259484 174.15130000000002 C7H10O5 1 652.7 +12966 5335 2M+ACN+Na 205891 388.2030343999999 388.2041872758677 497.87571786501957 162.09363319999997 C7H4FNaO2 1 656.43 +12967 4719 2M+ACN+Na 313544 357.24504800000005 357.24668917033665 570.3448569191011 146.61464000000004 C7H11ClO 1 674.3 +12969 11291 2M+ACN+Na 513686 844.154974 844.1582988631009 1012.2390048319271 390.06960300000003 C5H13O14P3 1 531.81 12970 10545 2M+ACN+Na 106828 756.4304079999997 756.4324997737136 615.545388180295 346.20731999999987 C18H13Cl2NO2 1 1174.27 +12974 3225 2M+ACN+Na 366209 292.21444799999995 292.213696138572 895.6354927407538 114.09933999999998 C5H6O3 1 555.93 +12977 8568 2M+ACN+Na 250069 560.3331472 560.3348887777493 491.65210441916474 248.1586896 C9H7F3N2O3 1 746.14 12980 2951 M+ACN+Na 723512 281.21168800000004 281.21120354549936 618.2043153695788 217.19592000000006 C9H13O6- 1 710.23 +12981 1366 M+ACN+Na 354598 204.06626799999998 204.06576655596868 210.70982320253643 140.05049999999997 C5O5 0 531.63 +12982 2430 M+ACN+Na 431245 258.24282800000003 258.2430412678191 837.6665828901378 194.22706000000002 C11H14O3 1 847.6 +12985 1195 M+ACN+Na 569773 194.126765112 194.1258668269585 551.7477060100058 130.11099711199998 C4H3D4NaO3 1 293.51 12986 6371 M+ACN+Na 212516 435.22220799999997 435.221539041719 555.392338305887 371.20644 C13H11BrN2O4S 1 835.03 +12987 6372 M+ACN+Na 212516 435.22220799999997 435.222755479169 573.3116732886365 371.20644 C13H11BrN2O4S 1 835.03 +12988 2744 M+ACN+Na 424266 271.241588 271.24225116316893 714.0150930410854 207.22582 C11H13NO3 1 651.81 +12989 1194 M+ACN+Na 483891 194.11780799999997 194.11775584532495 455.15365076273713 130.10204 C4H6N2O3 1 172.75 +12990 1725 M+ACN+Na 35515 224.12822899999998 224.12824567710055 452.96918204200307 160.112461 C8H5N2P 1 726.48 +12991 3193 M+ACN+Na 436149 291.156568 291.1551597278715 369.03005638531613 227.1408 C11H15Br 1 1052.78 12992 2615 M+ACN+Na 386452 266.182008 266.18311084945935 628.9983772927749 202.16624000000002 C10H6N2O3 1 689.99 12993 6444 M+ACN+Na 96094 439.27058799999986 439.2727244167569 680.9879138258663 375.2548199999999 C16H23BrO5 0 1042.64 12994 996 M+ACN+Na 299949 182.15476283799995 182.15409982550702 660.4448747607919 118.13899483799997 C5H11NO2 1 225.08 12995 6144 M+ACN+Na 169178 425.260529 425.26133652185695 580.9857071383308 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 12996 2930 M+ACN+Na 415011 280.25494799999996 280.2541808231854 774.5601203476713 216.23917999999998 C11H12N4O 1 243.61 +12997 5825 M+ACN+Na 262804 410.3486279999998 410.34700248992414 863.3197684914016 346.3328599999998 C21H14O5 1 1195.14 +13000 3358 M+ACN+Na 303814 298.309988 298.3104441053424 967.9839185320461 234.29421999999997 C13H18N2O2 1 514.87 13001 2766 M+ACN+Na 661921 272.229648 272.22984522078815 812.4507673889622 208.21388000000002 C10H12N2O3 1 342.95 13002 1841 M+ACN+Na 41343 229.1800912 229.17993706538627 839.355806278769 165.16432319999998 C9H8FNO 1 613.77 13003 3464 M+ACN+Na 314655 302.233689 302.2325138512875 568.5326749662064 238.21792100000002 C9H19O5P 1 758.81 +13004 4068 M+ACN+Na 579933 327.23039759999995 327.2304398166683 420.58813257536826 263.21462959999997 C14H8F3NO 1 871.37 +13005 2555 M+ACN+Na 493218 264.144189 264.14306731025636 366.41987898883195 200.128421 C8H9O4P-- 1 626.45 +13007 2464 M+ACN+Na 307448 260.175888 260.1761856054205 703.9277169467753 196.16012 C8H8N2O4 1 523.5 +13010 1928 M+ACN+Na 383192 233.15384799999998 233.1534942301812 513.2898962729495 169.13807999999997 C6H7N3O3 1 555.17 +13011 5048 M+ACN+Na 137924 373.20292799999993 373.20423175944575 601.5636284329905 309.18715999999995 C16H14Cl2O2 1 1093.05 +13012 3203 M+ACN+Na 218840 291.23298800000003 291.2316722558007 714.3976314515568 227.21722000000003 C9H13N3O4 1 601.03 13014 5421 M+ACN+Na 705447 391.2524679999999 391.2514079779118 433.79501295531617 327.2366999999999 C14H15BrO2S 1 1216.11 13015 5422 M+ACN+Na 705447 391.2524679999999 391.2524443189145 588.6586702009488 327.2366999999999 C14H15BrO2S 1 1216.11 +13018 4088 M+ACN+Na 410826 328.17672799999997 328.1752067818792 401.55687803397063 264.16096 C13H14BrN 1 945.01 +13019 3396 M+ACN+Na 203915 300.16045760000003 300.160104032065 565.8266318056344 236.14468960000002 C9H7F3O4 0 818.01 +13023 4649 M+ACN+Na 583161 354.2623111999999 354.26343896987777 694.6382319264803 290.2465431999999 C14H11FN2O4 1 648.6 +13024 1586 M+ACN+Na 430703 216.16638799999998 216.1674205170698 609.1589920342983 152.15061999999998 C7H8N2O2 1 261.6 13027 7884 M+ACN+Na 98026 516.1556079999999 516.1554280194258 399.67930245185164 452.13983999999994 C18H16Br2N2O2 0 888 +13028 3996 M+ACN+Na 274506 324.21808799999997 324.21663747678974 643.4775368711945 260.20232 C12H8N2O5 1 462.94 +13032 1772 M+ACN+Na 196340 226.17945119999996 226.180289050129 780.1064465968182 162.16368319999998 C9H7FN2 1 572.85 +13037 3399 M+ACN+Na 508498 300.179589 300.1807412811221 404.15498020219553 236.163821 C10H9N2O3P 1 476.37 13039 3230 M+ACN+Na 110789 292.283948 292.28442714286837 882.0281560140897 228.26818 C9H12N2O3S 1 454.09 13041 4665 M+ACN+Na 654608 355.15900799999997 355.160083419142 304.0460866999015 291.14324 C13H11BrN2O 0 888.33 +13042 3076 M+ACN+Na 312022 286.18353759999997 286.18425018007883 562.8748891842683 222.16776959999996 C7H9F3N4O 1 693.93 +13044 504 M+ACN+Na 46177 154.09700800000002 154.09776269049888 245.8781258757157 90.08124000000001 C2H6N2O2 0 250.8 +13045 583 M+ACN+Na 170413 159.15812799999998 159.15749295532314 1002.4673122514668 95.14236 C6H9N 1 660.84 +13048 3766 M+ACN+Na 185823 314.23163759999994 314.2325231456332 598.9961363374921 250.21586959999993 C14H9F3O 1 953.98 13055 5876 M+ACN+Na 220366 413.253468 413.25357885828504 671.4476624907637 349.2377 C15H10Cl2N4S 1 1001.01 +13056 5877 M+ACN+Na 220366 413.253468 413.25470780760475 454.7462084978922 349.2377 C15H10Cl2N4S 1 1001.01 13058 5526 M+ACN+Na 446587 395.27800079999986 395.27934493360704 749.8803233112673 331.2622327999999 C15H13F4NO3 1 933.11 +13059 6145 M+ACN+Na 192207 425.270448 425.26839769132226 764.1821356628285 361.25468 C13H17BrN2O3S 1 711.5 +13060 5924 M+ACN+Na 191329 415.25072799999987 415.2516329595073 692.0265280832645 351.2349599999999 C17H19BrO3 0 1084.79 +13061 5399 M+ACN+Na 610530 390.35898799999984 390.3579320995315 967.2670861390469 326.34321999999986 C19H18O5 1 845.23 +13062 4163 M+ACN+Na 720010 331.211929 331.2111484639127 590.6045036450877 267.196161 C7H10NO6PS 1 264.69 13064 7833 M+ACN+Na 233503 513.2584879999999 513.2565617568623 251.6605747220722 449.24271999999996 C16H18Cl2N4O7 0 660.21 13066 2000 M+ACN+Na 513488 237.16898799999996 237.16809954637358 463.4163617457557 173.15321999999998 C3H3N5O2S 1 601.37 13067 3180 M+ACN+Na 114004 290.284688 290.28412054252914 917.7088495370527 226.26892000000004 C12H18O4 1 840.89 +13073 3699 M+ACN+Na 418018 311.30544799999996 311.30546149617146 892.5228464972142 247.28967999999998 C14H17NO3 1 685.73 +13074 10783 M+ACN+Na 275084 782.8433280000002 782.8449344590574 285.59779791129426 718.8275600000002 C38H54O13 1 673.12 +13076 5823 M+ACN+Na 304398 410.3174575999999 410.3168830252441 650.3947444775803 346.3016895999999 C15H17F3N2O4 1 671.94 +13077 4577 M+ACN+Na 490257 351.1654679999999 351.1649358615761 439.341515962247 287.14969999999994 C12H15BrO3 1 918.77 +13078 3204 M+ACN+Na 101471 291.252828 291.25284825941696 781.4748534084662 227.23706 C9H9NO4S 1 651.11 13079 1721 M+ACN+Na 514410 224.099699 224.09991606724236 533.6841385002463 160.08393099999998 C4H10NaO3P 1 469.14 13080 5935 M+ACN+Na 143106 416.198708 416.19912217099466 504.8183340506961 352.18294000000003 C8H6ClHgN 1 313.89 13089 2867 M+ACN+Na 167929 277.1535576 277.1547346111112 446.1369115610323 213.1377896 C4H2F3N3O2S 1 603.17 13090 6975 M+ACN+Na 321399 464.26019699999995 464.2579109814545 279.9599274816579 400.24442899999997 C15H21IN2O3 0 651.78 +13091 2787 M+ACN+Na 425525 273.257468 273.25753914814254 907.5091304401626 209.2417 C11H15NO3 1 111.98 +13092 2510 M+ACN+Na 35795 262.188468 262.1882630918191 632.4404607028409 198.17270000000002 C9H10O5 1 678.14 +13093 5347 M+ACN+Na 855601 388.3431079999999 388.3420665190532 996.6195190637203 324.32733999999994 C19H16O5 1 764.12 +13094 3358 M+ACN+Na 596147 298.3099879999999 298.3104441053424 967.9839185320461 234.29421999999994 C13H18N2O2 1 713.65 13096 4060 M+ACN+Na 314255 327.14890799999995 327.14899100680805 239.04163330333142 263.13313999999997 C12H11BrN2 0 733.5 13097 2642 M+ACN+Na 657533 267.231428 267.23165317836816 945.6583281430356 203.21566 C7H9NO4S 1 829.84 13098 3249 M+ACN+Na 10453 293.216648 293.21568878751754 523.0798292390664 229.20088 C6H7CaNO6 1 113.71 13099 3549 M+ACN+Na 618342 305.30416799999995 305.3030241053062 748.3902861388195 241.28839999999997 C14H15N3O 1 578.85 +13104 2620 M+ACN+Na 121943 266.336008 266.33615176318233 323.05527540347543 202.32023999999998 C6H6N2S3 1 998.42 13105 6802 M+ACN+Na 331788 455.30830799999995 455.3099165238407 673.1901202603724 391.29254 C23H16Cl2N2 1 1009.34 13106 4010 M+ACN+Na 262187 325.1400312 325.1390731337431 369.24228166627705 261.12426320000003 C6H4FN5O6 1 621.64 +13107 3573 M+ACN+Na 377749 306.24256799999995 306.24276053245 526.4079844410849 242.22679999999997 C14H10O4 1 802.73 +13108 5805 M+ACN+Na 59529 410.127418 410.1273450282271 481.9438177389653 346.11165 C4H5AuO4S 1 574.39 +13113 2075 M+ACN+Na 542454 241.19079119999998 241.1907549149854 326.34546384346675 177.17502319999997 C10H8FNO 1 382.89 13114 2278 M+ACN+Na 345342 251.13773759999998 251.13880195565008 380.8011341253259 187.12196959999997 C7H4F3N3 0 736.81 +13121 6133 M+ACN+Na 526453 425.14474079999985 425.1436785272845 488.6602342118849 361.1289727999999 C15H9BrF4O 1 1158.24 +13123 3464 M+ACN+Na 579790 302.2323511999999 302.2325138512875 568.5326749662064 238.21658319999995 C14H7FN2O 1 774.35 +13125 1586 M+ACN+Na 31062 216.16638799999998 216.1674205170698 609.1589920342983 152.15061999999998 C7H8N2O2 1 308.82 +13127 2386 M+ACN+Na 643106 256.226948 256.22722722643596 650.0444585890059 192.21118 C11H12O3 1 666.7 13129 3680 M+ACN+Na 333692 311.104908 311.10603734090006 485.7683405564355 247.08914000000001 C8H11BrN2O2 1 731.86 13130 4529 M+ACN+Na 230948 348.2876079999999 348.28721177603285 840.3594672613303 284.27183999999994 C10H16N6O4-- 1 683.23 +13133 2816 M+ACN+Na 614240 275.12325899999996 275.12372289246713 169.38441827869096 211.10749099999998 C7H9NaO4P+ 1 93.17 13136 4417 M+ACN+Na 198477 343.1769479999999 343.17525550050595 679.9821851872542 279.16117999999994 C15H12Cl2O 1 1263.69 13137 7488 M+ACN+Na 130249 492.440908 492.44004676233044 1073.1689545075155 428.42514 C17H16N8O4S 1 623.1 +13138 2902 M+ACN+Na 428165 279.1693544 279.1701360769105 472.2959495285904 215.1535864 C9H7F2NO3 1 703.58 +13139 857 M+ACN+Na 248747 176.05616799999996 176.05551570545276 951.0076198379326 112.04039999999998 C4O4-- 0 528.66 +13140 858 M+ACN+Na 248747 176.05616799999996 176.05578420172503 383.5805391951041 112.04039999999998 C4O4-- 0 528.66 +13141 4287 M+ACN+Na 597697 337.14042799999993 337.13926348034704 405.12066286901023 273.12465999999995 C14H9BrO 1 1016.79 +13142 4288 M+ACN+Na 597697 337.14042799999993 337.1420331010735 504.4818838656755 273.12465999999995 C14H9BrO 1 1016.79 +13145 4785 M+ACN+Na 423989 360.2932479999999 360.2924915669361 936.796839614914 296.2774799999999 C16H12N2O4 1 816.94 +13146 6512 M+ACN+Na 385846 442.277608 442.279067660318 531.1485713421557 378.26184 C21H16BrNO 1 1031.83 13147 1721 M+ACN+Na 476089 224.10098399999998 224.09991606724236 533.6841385002463 160.085216 C5H5F5 1 575.76 +13148 3552 M+ACN+Na 610152 306.072428 306.0732917705185 213.86686639513263 242.05666000000002 C7H9Cl2NO4 1 845.42 +13153 4956 M+ACN+Na 135625 369.17776800000007 369.17624288030277 387.72082286717193 305.1620000000001 C14H10Cl2N4 1 983.14 +13154 2343 M+ACN+Na 244553 254.211068 254.21155085761075 710.2474883179309 190.1953 C11H10O3 1 783.2 +13155 1341 M+ACN+Na 604828 202.17956800000002 202.18028867429578 1087.3342592180716 138.1638 C8H10O2 1 670.45 13156 1342 M+ACN+Na 604828 202.17956800000002 202.18031170282669 249.87277094879488 138.1638 C8H10O2 1 670.45 +13158 4795 M+ACN+Na 586092 361.1491679999999 361.1488672269429 416.52409175624655 297.13339999999994 C14H10Cl2O3 1 1041.24 +13159 2689 M+ACN+Na 500266 269.225708 269.2266498828559 668.1113562776329 205.20994 C11H11NO3 1 664.61 +13163 2297 M+ACN+Na 241495 252.1440144 252.14506997629587 203.50773672274056 188.12824640000002 C8H6F2O3 1 724.02 +13168 2478 M+ACN+Na 83656 261.11242799999997 261.112115790918 498.3016954022006 197.09665999999999 C4H9BrN2S 1 108.8 13170 4897 M+ACN+Na 23307 366.192128 366.19099964341433 448.65053502001115 302.17636000000005 C12H9Cl2NO2S 1 987.92 +13171 4898 M+ACN+Na 23307 366.192128 366.1937813253004 521.3888687039355 302.17636000000005 C12H9Cl2NO2S 1 987.92 13177 2378 M+ACN+Na 553532 256.169028 256.16973747343695 753.3933957961125 192.15326000000002 C3H4N4O4S 1 565.91 +13179 4710 M+ACN+Na 167449 357.17158799999993 357.16986556998904 739.5796443162005 293.15581999999995 C14H13BrO2 1 1020.44 13182 5251 M+ACN+Na 533304 384.208349 384.2088091817226 733.9619518238437 320.192581 C10H13N2O8P-- 1 534.37 +13183 5562 M+ACN+Na 631574 397.2221280000001 397.2216141280897 646.4614081158147 333.20636000000013 C13H9BrN4S 1 733.14 +13184 1338 M+ACN+Na 553390 202.14310799999998 202.14384080378878 457.2547568369144 138.12733999999998 C5H6N4O 1 328.21 +13185 7212 M+ACN+Na 661077 477.2643879999998 477.26225052060283 603.4378670092707 413.24861999999985 C19H18Cl2O6 1 880.83 +13187 4914 M+ACN+Na 61084 367.17688799999996 367.17514890172623 518.6825923712659 303.16112 C12H8Cl2O3S 1 1016.77 13188 7015 M+ACN+Na 446125 466.4103479999999 466.4090588137509 947.101064448525 402.3945799999999 C21H22O8 1 616.84 +13195 3199 M+NH4+HCOOH 436149 291.180093 291.1811062163845 511.761183343429 227.1408 C11H15Br 1 1052.78 +13198 4109 M+NH4+HCOOH 379829 329.1601961999999 329.159491255188 484.5581211459237 265.12090319999993 C13H10BrF 1 1178.15 +13200 3502 M+NH4+HCOOH 344309 304.127973 304.12921722218005 338.3913883663415 240.08868 C10H7Cl2N3 0 902.73 13201 8268 M+NH4+HCOOH 54868 539.3603729999998 539.3583367099857 789.7452822999453 475.3210799999997 C30H12Cl2O2 1 1019.62 +13202 4070 M+NH4+HCOOH 579933 327.25392259999995 327.2530348147546 733.6082556443973 263.21462959999997 C14H8F3NO 1 871.37 13204 3554 M+NH4+HCOOH 350694 306.100703 306.09987707404355 288.56667453640216 242.06141 C4H11IN4 1 108.61 +13205 2558 M+NH4+HCOOH 493218 264.167714 264.16749557783504 560.9235201078059 200.128421 C8H9O4P-- 1 626.45 13206 3999 M+NH4+HCOOH 82307 324.3259729999999 324.3259495325047 945.5694319089121 260.28667999999993 C18H12O2 1 944.13 +13207 6089 M+NH4+HCOOH 370426 422.2739321999998 422.2739625574806 709.8762761168681 358.23463919999983 C17H8F6O2 1 913.72 +13215 3720 M+NH4+HCOOH 32873 312.317033 312.3167298654852 945.7978382813568 248.27773999999997 C13H16N2O3 1 564.73 +13216 3253 M+NH4+HCOOH 703601 293.33529300000004 293.33497911630104 780.3483609788509 229.29600000000002 C10H15NO3S 1 694.45 +13222 2735 M+NH4+HCOOH 298413 271.13948899999997 271.1398736497032 206.0393941523185 207.10019599999995 C8H2F5N 1 887.22 13226 4091 M+NH4+HCOOH 410826 328.200253 328.20123447214075 544.4541842234696 264.16096 C13H14BrN 1 945.01 13227 8548 M+NH4+HCOOH 704108 558.7511330000002 558.7525191860609 227.42257123818777 494.71184000000017 C30H46N4O2 1 833.34 13228 4653 M+NH4+HCOOH 583161 354.2858361999999 354.2841986482509 678.5225311943718 290.2465431999999 C14H11FN2O4 1 648.6 +13229 9174 M+NH4+HCOOH 570912 608.8735730000001 608.8759117733711 965.2192916707088 544.83428 C8H12HgN10O6 0 432.93 +13230 7885 M+NH4+HCOOH 98026 516.179133 516.1806087219028 225.86830221156603 452.13983999999994 C18H16Br2N2O2 1 888 +13231 4589 M+NH4+HCOOH 584944 351.263653 351.26386297104557 417.25844608223974 287.22436 C14H9NO6 1 697.98 +13232 4978 M+NH4+HCOOH 863538 370.1860530000001 370.1857133204832 445.05192693349153 306.1467600000001 C14H9Cl2N3O 0 793.77 13233 3412 M+NH4+HCOOH 24715 300.3078729999999 300.30914547211364 912.4423657701773 236.26857999999993 C15H12N2O 1 674.1 +13234 3091 M+NH4+HCOOH 504491 287.108573 287.1091749492896 245.07746782404163 223.06928 C9H7BrN2 1 667.17 +13235 11876 M+NH4+HCOOH 423317 928.7958330000001 928.796069092652 809.5502944577981 864.7565400000001 C45H36O18 0 1166.55 +13239 3492 M+NH4+HCOOH 337316 303.306973 303.30825899495153 784.4105632171087 239.26768 C12H17NO4 1 704.49 13240 3403 M+NH4+HCOOH 508498 300.203114 300.20177297883697 316.9645024938119 236.163821 C10H9N2O3P 1 476.37 +13241 10348 M+NH4+HCOOH 291079 731.6652929999998 731.6669697447819 226.91425106210363 667.6259999999997 C30H60O4S2Sn 1 1215.53 +13245 1842 M+NH4+HCOOH 571542 229.19197300000002 229.19247098019153 190.30701620026736 165.15268 C6H7N5O 1 297.37 +13251 6375 M+NH4+HCOOH 183176 435.245733 435.24469244844664 1024.8155037287472 371.20644 C13H11BrN2O4S 1 823.16 13253 3861 M+NH4+HCOOH 670274 318.316773 318.3152393459696 965.8406452599481 254.27748 C10H22O7 0 353.02 13257 4497 M+NH4+HCOOH 46338 347.189173 347.1886394990527 518.8120112522712 283.14988 C14H12Cl2O2 1 901.39 13258 5317 M+NH4+HCOOH 570079 387.235814 387.2365993177801 585.2969470937688 323.196521 C9H14N3O8P 1 195.8 +13259 5318 M+NH4+HCOOH 570079 387.235814 387.23762180878146 534.9451794243923 323.196521 C9H14N3O8P 1 195.8 13264 2664 M+NH4+HCOOH 236958 268.264473 268.2632979752226 854.6279782018773 204.22518 C11H12N2O2 1 499.22 +13269 6627 M+NH4+HCOOH 81980 447.26523299999997 447.2672661601766 390.45607034461585 383.22594 C17H16Cl2N2O4 0 1043.06 +13270 4359 M+NH4+HCOOH 57616 340.2856129999999 340.28503426561156 674.0693427442635 276.2463199999999 C16H8N2O3 1 917.75 13276 4200 M+NH4+HCOOH 396563 333.184193 333.18348209577664 516.0326924195883 269.1449 C9H10Cl2O3S 1 988.6 +13277 4091 M+NH4+HCOOH 435672 328.20025300000003 328.20123447214075 544.4541842234696 264.16096000000005 C13H14BrN 1 784.59 +13286 4012 M+NH4+HCOOH 262187 325.1635562 325.164053958318 603.695073719243 261.12426320000003 C6H4FN5O6 1 621.64 +13290 7236 M+NH4+HCOOH 118697 478.28601859999975 478.28666211003224 713.2816693540774 414.24672559999976 C17H10F8O3 1 1262.75 +13291 4823 M+NH4+HCOOH 586826 362.2533625999999 362.2537978647829 533.620120648014 298.2140695999999 C14H9F3O4 1 844.28 13292 1821 M+NH4+HCOOH 89678 228.19577300000003 228.19591407588055 654.7555534320768 164.15648000000002 C6H12O5 1 397.82 13293 2373 M+NH4+HCOOH 395178 256.1282058 256.1292468455703 264.06947030141 192.0889128 C3F4O3S 1 761.21 13294 3367 M+NH4+HCOOH 617403 299.10661300000004 299.1057478088589 437.2119005145113 235.06732000000002 C8H8Cl2N2O2 1 734.17 13295 4132 M+NH4+HCOOH 138184 330.161953 330.16284417365324 526.1751399310202 266.12266 C13H9Cl2NO 1 949.53 13297 3230 M+NH4+HCOOH 387391 292.285873 292.28442714286837 882.0281560140897 228.24657999999997 C13H12N2O2 1 699.78 +13299 4044 M+NH4+HCOOH 657771 326.3053929999999 326.30498278718306 862.6013900842893 262.26609999999994 C15H10N4O 1 836.64 +13300 2883 M+NH4+HCOOH 323495 278.141573 278.1421305183522 415.0946464128524 214.10228 C9H12BrN 1 670.35 +13301 2618 M+NH4+HCOOH 33110 266.247053 266.247710830689 749.341808832427 202.20776 C8H14N2O4 1 132.28 +13302 4081 M+NH4+HCOOH 864457 328.10292300000003 328.10262091349813 328.9964415334139 264.06363000000005 C7H9IN2O 0 470.42 13303 3381 M+NH4+HCOOH 421835 299.235453 299.2366848587552 628.1765321675205 235.19616000000002 C10H9N3O4 1 713.71 +13304 3698 M+NH4+HCOOH 424722 311.292513 311.2939581792357 887.3490023217139 247.25321999999997 C11H13N5O2 1 601.33 +13306 4530 M+NH4+HCOOH 230948 348.3111329999999 348.3106174563931 901.2429626240344 284.27183999999994 C10H16N6O4-- 1 683.23 13307 3536 M+NH4+HCOOH 421819 305.175034 305.17493039188196 629.8450460235622 241.135741 C6H12NO7P 1 107.38 13308 1497 M+NH4+HCOOH 437704 211.170093 211.16938556127633 490.2767589115096 147.1308 C8H5NO2 1 690.78 +13309 860 M+NH4+HCOOH 248747 176.07969299999996 176.0788281918629 369.9287535414025 112.04039999999998 C4O4-- 1 528.66 +13313 5151 M+NH4+HCOOH 270997 378.32875299999984 378.3298753012022 898.8781110209064 314.28945999999985 C17H14O6 1 836.14 +13314 2863 M+NH4+HCOOH 365964 277.110453 277.1101929856936 409.7274054711618 213.07116 C9H9BrO 1 905.99 +13317 6188 M+NH4+HCOOH 641807 427.23210259999985 427.233364207253 607.4750862241457 363.19280959999986 C14H10BrF3OS 1 1295.91 +13318 3441 M+NH4+HCOOH 18544 301.6850129999999 301.6847162142753 528.405677000416 237.64571999999993 C9H8ClN5O 1 636.9 13322 2659 M+NH4+HCOOH 203918 268.18518259999996 268.18501905327685 162.0616179300814 204.14588959999998 C9H7F3O2 1 761.98 +13323 3620 M+NH4+HCOOH 606603 308.266634 308.26653107390206 675.3645800275098 244.227341 C10H17N2O3P 1 658.46 +13324 4409 M+NH4+HCOOH 309662 343.09584259999997 343.095240906456 309.84707771442135 279.0565496 C9H6BrF3N2 1 950.13 +13325 4575 M+NH4+HCOOH 436287 351.14593299999996 351.1472732502989 366.59362249704793 287.10663999999997 C11H11BrO4 1 912.12 +13331 2863 M+NH4+HCOOH 590516 277.110453 277.1101929856936 409.7274054711618 213.07116 C9H9BrO 1 751.6 +13332 5192 M+NH4+HCOOH 20821 381.22699299999994 381.22665761354835 522.893915799353 317.18769999999995 C13H10Cl2O3S 1 1049.84 +13333 3999 M+NH4+HCOOH 280303 324.325973 324.3259495325047 945.5694319089121 260.28668 C18H12O2 1 947.41 +13335 836 M+NH4+HCOOH 9060 174.14993299999998 174.14910424770812 276.24684939667696 110.11063999999999 C6H6O2 1 661.47 13338 4714 M+NH4+HCOOH 167449 357.19511299999994 357.19414592947004 390.8013284439141 293.15581999999995 C14H13BrO2 1 1020.44 13342 2831 M+NH4+HCOOH 495045 275.257113 275.2579953501284 881.0586995536623 211.21782 C9H13N3O3 1 554.76 +13345 2279 M+NH4+HCOOH 550258 251.14993299999998 251.1487626026189 485.5314122753432 187.11064 C6H16Cl2N2 1 126.27 +13348 171 M+3Na 287492 129.06586466666664 129.0661219085395 413.3095996646209 318.22993999999994 C12H16BrNO2S 1 968.43 13351 269 M+3Na 137437 137.13264466666666 137.1326324611217 555.4873149832712 342.43028000000004 C24H22O2 1 1133.06 +13353 415 M+3Na 385196 148.12057906666664 148.120386371886 580.4877206669715 375.3940831999999 C19H22FN3O4 1 679.62 +13354 3696 M+3Na 423317 311.24139800000006 311.2405723509607 1010.2732571057821 864.7565400000001 C45H36O18 1 1166.55 +13355 478 M+3Na 514217 152.11788133333332 152.11829586328548 1270.4034297748221 387.38598999999994 C16H18N3NaO5S 0 602.79 13356 2234 M+3Na 568198 249.1709913333334 249.17114280880665 558.4394207686408 678.5453200000002 C24H38O22 1 58.79 +13357 797 M+3Na 713463 172.11701833333336 172.1165751351523 270.28874660365 447.38340100000005 C15H26N7O7P 0 584.69 +13361 295 M+3Na 515969 139.147828 139.14810785131914 648.9665831901644 348.47583000000003 C18H29NaO3S 1 1185.24 13364 1117 M+3Na 44003 189.1636313333333 189.16381861799405 608.0257615203632 498.52323999999993 C30H26O7 1 1061.35 +13365 1040 M+3Na 194684 185.104348 185.10358967246077 886.1016642801353 486.34539 C23H23IN2O2 1 890.96 +13366 75 M+3Na 337919 121.01661166666668 121.01681998622375 1202.867097979359 294.08218100000005 C9H13BrNO3P 0 647.05 13367 153 M+3Na 540413 127.12347133333331 127.12312231058905 204.85067412387232 312.40275999999994 C20H24O3 1 811.26 +13368 154 M+3Na 540413 127.12347133333331 127.12315396763124 1119.571718657381 312.40275999999994 C20H24O3 1 811.26 +13369 334 M+3Na 110313 142.12317133333332 142.12280904102755 442.5805911071749 357.40186 C23H19NO3 0 841.52 13371 116 M+3Na 61084 124.04292466666665 124.04280112446006 254.15412944226102 303.16112 C12H8Cl2O3S 0 1016.77 +13372 4944 M+Na+HCOOH 572860 368.2614776 368.26169707478175 441.58624212794166 299.2667896 C10H12F3NO4S 1 990 +13376 5686 M+Na+HCOOH 98329 403.232828 403.2328682811599 660.9069178353927 334.23814 C15H21Cl2NO3 1 1042.81 +13377 3206 M+Na+HCOOH 594732 291.68536800000004 291.6862131423925 449.0250696873885 222.69068000000001 C11H7ClOS 1 940.13 13380 3365 M+Na+HCOOH 543120 299.08854799999995 299.08901997183466 410.10252752425515 230.09385999999998 C9H9Cl2N3 1 536.43 +13386 3083 M+Na+HCOOH 638414 286.25992799999995 286.26092507423346 740.736901629329 217.26523999999992 C16H11N 1 931.23 +13387 3378 M+Na+HCOOH 635904 299.195928 299.1965459894716 610.4062317439935 230.20124 C6H6N4O4S 1 653.47 +13390 1459 M+Na+HCOOH 590394 209.09154799999996 209.09217164446318 264.88152049227796 140.09685999999996 C5H4N2O3 1 534.63 13392 1834 M+Na+HCOOH 35515 229.107149 229.10705428696446 377.6618151731436 160.112461 C8H5N2P 1 726.48 13393 3303 M+Na+HCOOH 436149 296.135488 296.1350262174012 261.86952644463736 227.1408 C11H15Br 0 1052.78 13394 3126 M+Na+HCOOH 378945 288.18814799999996 288.18869869877324 585.7085933960399 219.19346 C11H9NO4 1 597.54 13395 1082 M+Na+HCOOH 299949 187.13368283799997 187.13317378164226 442.05028911000085 118.13899483799997 C5H11NO2 0 225.08 13396 1860 M+Na+HCOOH 633143 230.15052799999998 230.1501903447356 392.26638365559296 161.15583999999998 C6H11NO4 0 78.47 +13397 3946 M+Na+HCOOH 500697 322.2177975999999 322.21656509058596 812.2070470727019 253.2231095999999 C12H10F3N3 1 669.44 13398 4234 M+Na+HCOOH 237263 334.301188 334.3025205583413 917.3850747162303 265.3065 C17H15NO2 1 873.61 +13399 1890 M+Na+HCOOH 486604 231.183188 231.1832647376824 183.2757942488074 162.1885 C9H10N2O 1 612.94 13403 11404 M+Na+HCOOH 572270 859.6588100000004 859.6595782055117 366.45630767969647 790.6641220000004 C29H50N3O18P2- 0 795.09 +13404 3491 M+Na+HCOOH 303814 303.288908 303.28935658000466 927.8299914120748 234.29421999999997 C13H18N2O2 1 514.87 13405 1790 M+Na+HCOOH 69705 227.15472799999998 227.15415779746118 1023.702233919094 158.16003999999998 C8H6N4 1 436.93 +13410 2750 M+Na+HCOOH 102025 272.0945144 272.0952991383287 282.66010978780366 203.0998264 C7H3F2NO4 1 655.68 +13413 3050 M+Na+HCOOH 307124 285.187508 285.18883767596486 412.70599499752666 216.19282 C11H8N2O3 1 625.78 +13415 2056 M+Na+HCOOH 103966 240.231468 240.232124530664 872.0992447843912 171.23678 C9H17NO2 1 708.79 +13418 6187 M+Na+HCOOH 370426 427.22932719999983 427.2309885962242 462.42644074849443 358.23463919999983 C17H8F6O2 1 913.72 13420 6677 M+Na+HCOOH 660832 449.3273679999998 449.3255644965931 682.9353801903108 380.3326799999998 C14H12N4O7S 1 735.63 13422 3489 M+Na+HCOOH 361047 303.249148 303.24895886523734 889.8763498671526 234.25446 C11H14N4O2 1 140.17 13423 5205 M+Na+HCOOH 380707 382.18650800000006 382.1854618447141 483.88199770515916 313.19182000000006 C16H13BrN2 0 1165.4 +13425 3251 M+Na+HCOOH 338891 293.247728 293.24726132486757 795.9880115824735 224.25304 C12H16O4 1 851.86 +13429 3463 M+Na+HCOOH 171679 302.22132799999997 302.2227440672691 533.680878809158 233.22663999999997 C10H11N5O2 0 675.64 +13433 5059 M+Na+HCOOH 108702 373.348888 373.3497180623185 850.2741070055478 304.3542 C12H20N10 1 53.29 13434 6514 M+Na+HCOOH 227042 442.3134680000001 442.31542227640256 694.4154316088809 373.3187800000001 C21H22Cl2N2 1 773.57 13435 3248 M+Na+HCOOH 230852 293.20950799999997 293.2109719552903 591.2709785911056 224.21481999999997 C13H8N2O2 1 596.14 13436 2470 M+Na+HCOOH 43794 260.222788 260.2222267002179 589.4026139707607 191.22809999999998 C5H5NO3S2 1 605.63 +13437 2718 M+Na+HCOOH 447116 270.21592799999996 270.21472079441287 720.0515804233746 201.22123999999997 C12H11NO2 1 712.78 +13440 3791 M+Na+HCOOH 529515 315.2350312 315.2358015488712 601.6330782997009 246.24034319999996 C12H11FN4O 1 618.05 13442 3055 M+Na+HCOOH 675727 285.225728 285.224789245724 740.0747163347104 216.23104000000004 C10H16O5 1 655.68 +13443 2830 M+Na+HCOOH 625182 275.235748 275.236977056077 820.2450808945562 206.24106 C11H14N2O2 1 647.79 13444 4707 M+Na+HCOOH 196682 357.1379471999999 357.13617316922154 459.59782130083386 288.14325919999993 C10H6F6O3 1 844.76 13445 4197 M+Na+HCOOH 410826 333.155648 333.15512395671345 480.2581876844661 264.16096 C13H14BrN 1 945.01 +13446 2930 M+Na+HCOOH 548740 280.25556800000004 280.2541808231854 774.5601203476713 211.26088000000004 C10H17N3O2 1 626.07 13448 2538 M+Na+HCOOH 239668 263.201828 263.2010613537157 1254.0196708543385 194.20714 C9H6O3S 1 723.85 13449 3491 M+Na+HCOOH 382686 303.29044799999997 303.28935658000466 927.8299914120748 234.29575999999997 C16H14N2 1 761.56 13453 1965 M+Na+HCOOH 849101 235.168588 235.16942378008312 645.9961027726121 166.1739 C9H10O3 1 680.8 +13455 4690 M+Na+HCOOH 584944 356.219048 356.2176064660185 415.98183127807255 287.22436 C14H9NO6 1 697.98 13456 1043 M+Na+HCOOH 594091 185.152968 185.1537111451596 598.8743031481318 116.15828 C6H12O2 1 330.44 13457 4114 M+Na+HCOOH 274506 329.197008 329.19559150954393 564.3155724837361 260.20232 C12H8N2O5 1 462.94 +13458 3666 M+Na+HCOOH 660217 310.149408 310.1489390745581 461.45315233122955 241.15472 C10H18Cl2O2 1 1139.89 +13460 5152 M+Na+HCOOH 172861 378.35704799999996 378.3570343225038 944.2248335122989 309.36235999999997 C18H19N3O2 1 841.43 +13461 10059 M+Na+HCOOH 853142 697.527468 697.5247731206002 1035.9976767564476 628.53278 C27H32O17 0 599.82 +13462 1739 M+Na+HCOOH 501686 225.087648 225.08697989181562 251.0934649539957 156.09296 C6H4O5 1 603.27 13464 2947 M+Na+HCOOH 340808 281.16587759999993 281.16519001530486 757.5026006098251 212.17118959999996 C10H7F3N2 1 686.63 13467 1746 M+Na+HCOOH 295725 225.130708 225.13153224851038 447.4704024128247 156.13602 C7H8O4 1 417.87 +13468 3178 M+Na+HCOOH 177716 290.24708799999996 290.24828420391987 639.2503041379118 221.25239999999997 C12H15NO3 1 658.33 13469 3694 M+Na+HCOOH 504959 311.22148799999997 311.2215472286491 611.7933888433852 242.22679999999997 C14H10O4 1 772.22 13471 1886 M+Na+HCOOH 196340 231.15837119999998 231.1591378720228 520.4552145159998 162.16368319999998 C9H7FN2 1 572.85 13472 3746 M+Na+HCOOH 504941 313.321948 313.3210960883018 915.8385112767371 244.32726000000005 C13H24O4 1 897.78 13473 5752 M+Na+HCOOH 709795 407.13509799999997 407.13675195810015 412.63791231026414 338.14041 C14H11IO2 1 1268.39 +13474 4178 M+Na+HCOOH 46438 332.18054900000004 332.18132764971296 343.3627804373082 263.18586100000005 C12H10NO4P 1 711.44 +13475 9602 M+Na+HCOOH 247082 644.3998680000001 644.400285557851 692.0900897736543 575.4051800000001 C26H27BrN2O8 0 716.73 +13476 6516 M+Na+HCOOH 868234 442.35310799999985 442.3514726835149 708.4224846371008 373.35841999999985 C15H23N3O8 1 566.1 +13479 5681 M+Na+HCOOH 8855 403.213849 403.2133129478915 501.7928885667044 334.219161 C11H15N2O8P 1 211.11 +13480 5682 M+Na+HCOOH 8855 403.213849 403.2143978613113 464.70499548988084 334.219161 C11H15N2O8P 1 211.11 +13481 5683 M+Na+HCOOH 8855 403.213849 403.215483521385 553.3889574353913 334.219161 C11H15N2O8P 1 211.11 +13483 3468 M+Na+HCOOH 171542 302.304148 302.30507624823395 1024.4209631280255 233.30946 C13H19N3O 1 614.7 13488 5844 M+Na+HCOOH 443498 411.2927079999999 411.29341315403934 725.1107621226415 342.2980199999999 C15H18O9 1 761.92 13489 657 M+Na+HCOOH 170413 164.137048 164.13649285947648 1219.1058308373938 95.14236 C6H9N 1 660.84 +13491 8791 M+Na+HCOOH 17757 575.1909509999999 575.1923827813789 200.4247130645634 506.19626299999993 C10H17N6O12P3 0 168.43 +13492 4969 M+Na+HCOOH 291004 369.348708 369.347738389845 712.3302495245753 300.35402 C12H18N3O4S+ 1 655.48 +13495 1474 M+Na+HCOOH 277048 210.10608799999997 210.10537211063055 186.16440422584296 141.11139999999997 C3H5N6O+ 1 625.9 13496 3879 M+Na+HCOOH 185823 319.2105575999999 319.21156567993324 573.6620174549644 250.21586959999993 C14H9F3O 1 953.98 13497 2746 M+Na+HCOOH 34743 272.023448 272.02216025442016 230.07439443704678 203.02875999999998 C6H4Cl2N4 0 692.61 +13498 2785 M+Na+HCOOH 615851 273.216568 273.2172363491564 497.7078400614246 204.22188 C12H12O3 1 768.12 13499 10232 M+Na+HCOOH 735719 719.6985080000002 719.7001590585046 1253.2693857448344 650.7038200000002 C27H38N8O9S 1 617.01 +13503 5055 M+Na+HCOOH 533128 373.2926279999999 373.2944640024739 626.1930192132531 304.2979399999999 C15H16N2O5 1 643.14 +13506 5442 M+Na+HCOOH 570079 392.191209 392.19189960397506 445.8988743199859 323.196521 C9H14N3O8P 0 195.8 +13507 2548 M+Na+HCOOH 595620 264.1090008 264.10787246858945 342.7983752131057 195.1143128 C7H5F4NO 0 682.18 +13508 3767 M+Na+HCOOH 409741 314.26848799999993 314.268703906251 770.1116085724213 245.27379999999997 C14H15NO3 1 683.11 13511 4545 M+Na+HCOOH 637237 349.27122799999995 349.2698456119605 220.12343865210818 280.27653999999995 C13H16N2O5 1 426.68 +13515 3295 M+Na+HCOOH 114004 295.26360800000003 295.26289164735294 883.0555311015071 226.26892000000004 C12H18O4 1 840.89 +13516 1084 M+Na+HCOOH 700581 187.1473312 187.1482625461296 638.5485184039006 118.15264319999999 C5H11FN2 1 224.34 13519 4359 M+Na+HCOOH 657321 340.285848 340.28503426561156 674.0693427442635 271.29116 C14H9NO3S 1 937.35 +13520 2662 M+Na+HCOOH 486365 268.203348 268.2022361800265 487.5554625915008 199.20865999999998 C11H9N3O 1 650.64 13525 2831 M+Na+HCOOH 399146 275.25888799999996 275.2579953501284 881.0586995536623 206.2642 C10H10N2OS 1 713.29 13526 1789 M+Na+HCOOH 325677 227.14658799999998 227.1470945495795 585.0404887262159 158.15189999999998 C7H10O4 1 678.9 +13527 4600 M+Na+HCOOH 251412 352.19741759999994 352.1971430652422 519.3981657374511 283.20272959999994 C13H8F3NO3 1 791.68 +13528 3278 M+Na+HCOOH 42856 295.094924 295.09519861595675 235.00150875505477 226.100236 C8H3F5O2 1 958.44 +13529 4988 M+Na+HCOOH 527940 371.06323799999996 371.0642300130996 904.9078989677205 302.06854999999996 C9H7IN2O2 0 741.41 13532 5055 M+Na+HCOOH 51265 373.29592799999995 373.2944640024739 626.1930192132531 304.30123999999995 C14H16N4O4 1 641.96 +13533 2513 M+Na+HCOOH 3313 262.238528 262.2376945251248 1023.4639204793503 193.24383999999995 C14H11N 1 773.99 +13543 1043 M+Na+HCOOH 7781 185.152968 185.1537111451596 598.8743031481318 116.15827999999999 C6H12O2 1 721.88 +13544 3491 M+Na+HCOOH 596147 303.28890799999994 303.28935658000466 927.8299914120748 234.29421999999994 C13H18N2O2 1 713.65 +13545 5282 M+Na+HCOOH 869287 385.3481479999999 385.3497605962411 934.1142175158327 316.3534599999999 C13H24N4O5 0 412.22 13546 4197 M+Na+HCOOH 435672 333.15564800000004 333.15512395671345 480.2581876844661 264.16096000000005 C13H14BrN 1 784.59 13547 4173 M+Na+HCOOH 314255 332.12782799999997 332.12715613975365 279.1546225811252 263.13313999999997 C12H11BrN2 1 733.5 13548 4067 M+Na+HCOOH 10767 327.225948 327.227219257347 486.6242196691043 258.23126 C9H14N4O5 0 62.62 13549 2764 M+Na+HCOOH 657533 272.210348 272.2090531215715 681.089639027399 203.21566 C7H9NO4S 1 829.84 13551 2385 M+Na+HCOOH 195210 256.214248 256.2140880956279 771.1317698047767 187.21955999999997 C6H9N3O2S 1 443.04 13552 3918 M+Na+HCOOH 552590 321.14890719999994 321.14763868951746 389.68095790009903 252.15421919999994 C8H10F6O2 1 858.04 +13553 3919 M+Na+HCOOH 552590 321.14890719999994 321.14814992882964 813.3805646202813 252.15421919999994 C8H10F6O2 0 858.04 13557 3620 M+Na+HCOOH 355037 308.267208 308.26653107390206 675.3645800275098 239.27252 C14H13N3O 1 810.9 13558 1130 M+Na+HCOOH 295296 190.13126799999998 190.13090423930595 487.6822630460341 121.13658 C7H7NO 1 273.06 +13559 4127 M+Na+HCOOH 262187 330.1189512 330.11808722306574 339.8979951296371 261.12426320000003 C6H4FN5O6 1 621.64 +13574 562 M+Na+HCOOH 349793 158.092462838 158.0927355090972 180.8176837567003 89.09777483799999 C4H8O2 1 483.46 13580 3126 M+Na+HCOOH 281976 288.188148 288.18869869877324 585.7085933960399 219.19346000000002 C11H9NO4 1 725.37 13581 3160 M+Na+HCOOH 608852 289.21596800000003 289.21617168577785 608.7560461428668 220.22128000000004 C12H12O4 1 709.04 13582 3015 M+Na+HCOOH 428165 284.1482744 284.14941310173157 415.7198944723944 215.1535864 C9H7F2NO3 1 703.58 13583 964 M+Na+HCOOH 248747 181.03508799999997 181.03520982145466 308.98947577334593 112.04039999999998 C4O4-- 0 528.66 +13585 3744 M+Na+HCOOH 523830 313.2474976 313.2484225718405 484.2393130015984 244.25280959999995 C13H15F3O 1 996.91 13587 2447 M+Na+HCOOH 488364 259.15705760000003 259.15595710559626 715.7037755953663 190.1623696 C9H9F3O 1 878.38 +13588 642 M+Na+HCOOH 685012 163.14898799999997 163.1481943367615 677.8565200392331 94.15429999999999 C7H10 1 767.61 +13593 2615 M+Na+HCOOH 56287 266.182628 266.18311084945935 628.9983772927749 197.18794 C9H11NO4 1 519.44 +13595 3600 M+Na+HCOOH 84155 307.27914799999996 307.27988432625006 946.4866098924095 238.28445999999997 C15H14N2O 1 669.48 +13596 11493 M+Na+HCOOH 864075 870.6688880000003 870.665271344908 351.2000724353079 801.6742000000003 C46H30Cl2N6O4 0 1694.87 +13597 457 M+Na+HCOOH 26131 151.095228 151.09459966143146 335.21092039692735 82.10054 C5H6O 0 596.71 +13598 2830 M+Na+HCOOH 40174 275.237288 275.236977056077 820.2450808945562 206.24259999999998 C14H10N2 1 916.4 +13601 6306 M+Na+HCOOH 641807 432.18749759999986 432.186660817098 261.8476195381565 363.19280959999986 C14H10BrF3OS 1 1295.91 +13602 1789 M+Na+HCOOH 306340 227.14658799999998 227.1470945495795 585.0404887262159 158.15189999999998 C7H10O4 1 490.95 +13603 5112 M+Na+HCOOH 672901 376.2632080000001 376.263690284865 875.8454411881 307.2685200000001 C17H23Br 1 1200.78 13604 3079 M+Na+HCOOH 333675 286.217088 286.21614065698174 803.013443709219 217.2224 C8H15N3O4 1 417.66 13605 2513 M+Na+HCOOH 167213 262.238528 262.2376945251248 1023.4639204793503 193.24383999999995 C14H11N 1 808.01 +13609 6776 M+Na+HCOOH 307307 454.2458679999999 454.24405526274404 660.7773085199746 385.2511799999999 C20H17BrO3 1 1357.52 13615 2428 M+Na+HCOOH 419225 258.20522800000003 258.20642869201356 638.2879643044993 189.21054 C11H11NO2 1 627.04 +13620 5290 M+Na+HCOOH 20821 386.18238799999995 386.18144417846827 603.9664111487801 317.18769999999995 C13H10Cl2O3S 1 1049.84 +13621 1573 M+Na+HCOOH 475019 215.178948 215.1794156671203 638.7926505874545 146.18426 C7H14O3 1 561.04 +13623 2900 M+Na+HCOOH 243884 279.14515760000006 279.14502311810674 358.49232989950036 210.15046960000004 C8H9F3O3 0 693.38 +13624 4638 M+Na+HCOOH 621759 354.13898800000004 354.13749106853686 501.45178422116163 285.14430000000004 C9H10Cl2O4S 1 864.54 13625 5215 M+Na+HCOOH 361746 382.3291279999999 382.330483760474 859.7179531107029 313.3344399999999 C14H11N5O2S 1 732.75 13629 4997 M+Na+HCOOH 23307 371.17104800000004 371.16976163306686 515.9673282759408 302.17636000000005 C12H9Cl2NO2S 0 987.92 +13630 3172 M+Na+HCOOH 365867 290.16756799999996 290.1680122619795 462.2399357183064 221.17288 C8H7N5O3 1 585.3 +13633 2483 M+Na+HCOOH 553532 261.14794800000004 261.1485443286781 569.5616627129067 192.15326000000002 C3H4N4O4S 1 565.91 13635 2871 M+Na+HCOOH 178040 277.1837512 277.18401448194464 352.86182360530086 208.18906320000002 C10H9FN2O2 1 679.28 +13636 5357 M+Na+HCOOH 533304 389.187269 389.18575287240475 658.482598592858 320.192581 C10H13N2O8P-- 1 534.37 13638 7301 M+Na+HCOOH 661077 482.24330799999984 482.2414172991745 671.478048572715 413.24861999999985 C19H18Cl2O6 0 880.83 +13639 6239 M+Na+HCOOH 403579 429.22858799999995 429.2275573154484 579.2571846949116 360.23389999999995 C19H15Cl2NO2 1 1127.04 13640 5645 M+Na+HCOOH 287500 401.25120799999996 401.25287088671695 708.7225858548553 332.25651999999997 C13H18BrNO2S 1 992.95 13648 6118 2M+2K-H 734126 424.199 424.1994983612324 524.8656512143702 173.63998 C8H12ClNO 1 665.62 +13652 10604 2M+2K-H 210249 762.4716399999999 762.4678433863232 852.4457465568662 342.77629999999994 C18H15ClN2O3 0 803.73 +13654 4999 2M+2K-H 70259 371.18724 371.1884725195009 433.3668861459115 147.1341 C7H5N3O 1 550.13 13655 7874 2M+2K-H 378945 515.3059599999999 515.3035995438181 717.1467036311449 219.19346 C11H9NO4 1 597.54 13656 6993 2M+2K-H 68528 465.28396 465.2851444846141 687.7812839449032 194.18246 C7H14O6 1 454.62 +13657 7359 2M+2K-H 256975 485.27668000000006 485.2752056623706 513.1292980080694 204.17882000000003 C11H8O4 1 719.47 +13659 3210 2M+2K-H 378857 292.08284000000003 292.08381075019014 357.20437228481785 107.5819 C4H10ClN 1 343.49 +13665 8521 2M+2K-H 344309 557.0964 557.0953753000467 950.1046836115361 240.08868 C10H7Cl2N3 1 902.73 13667 12259 2M+2K-H 128922 993.1680399999999 993.1671531500816 393.2927706001102 458.12449999999995 C15H10Br2N2O3S 0 1013.2 13668 4847 2M+2K-H 551407 363.30825777999996 363.3099140195949 879.2158195035239 143.19460888999998 C8H5D5O2 1 689.73 13669 5273 2M+2K-H 379931 385.15932 385.1600103734715 323.218907279183 154.12014 C7H6O4 1 497.65 +13672 6541 2M+2K-H 54002 443.33448000000004 443.33313856112676 895.9185233074128 183.20772000000002 C8H13N3O2 1 571.51 +13673 4713 2M+2K-H 429082 357.19228 357.1906854035608 566.4328887582334 140.13662 C7H8O3 1 675.1 13674 4424 2M+2K-H 144105 343.25996 343.25894077709927 633.1721138043118 133.17046 C8H9N2+ 1 678.89 13675 12624 2M+2K-H 197139 1058.2721599999998 1058.2710875257967 1105.1220020391481 490.6765599999999 C38H34 0 671.19 13676 3369 2M+2K-H 620894 299.11643999999995 299.1178261749954 212.82954327745244 111.09869999999998 C5H5NO2 1 243.7 13677 10878 2M+2K-H 370426 793.3883183999997 793.3870841363068 613.355881274929 358.23463919999983 C17H8F6O2 0 913.72 13678 9492 2M+2K-H 582968 634.30112 634.302488293401 276.2658053905559 278.69104 C13H11ClN2O3 1 666.69 +13681 7547 2M+2K-H 434086 495.44872 495.44961342399534 1072.1283745699225 209.26484 C10H11NO2S 1 687.9 13682 7065 2M+2K-H 307448 469.23928 469.2373833137386 203.5466879813993 196.16012 C8H8N2O4 1 523.5 13683 4962 2M+2K-H 205263 369.2379264 369.23822373272924 439.1712780628022 146.1594432 C7H11FO2 0 798.63 +13684 4257 2M+2K-H 348039 335.23312 335.23294308372283 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912.0360752495792 371.82873738473864 278.37145999999996 C17H14N2S 0 686.23 +13977 7933 3M+2K-H 437704 518.31144 518.3132667536838 572.6176169676053 147.1308 C8H5NO2 1 690.78 +13978 11764 3M+2K-H 198477 914.4025799999998 914.3987446587416 246.62493713003408 279.16117999999994 C15H12Cl2O 1 1263.69 +13983 11894 3M+2K-H 644206 932.9366399999999 932.9387498949282 377.9301051832109 285.33919999999995 C20H15NO 1 1050.46 +13984 9728 3M+2K-H 219019 659.5106399999999 659.5130663334597 893.3221738848939 194.19719999999995 C6H10N8 0 528.85 +13987 8263 3M+2K-H 426056 539.27946 539.2810255832956 367.5210445101301 154.12014 C7H6O4 1 612.15 +13988 8605 3M+2K-H 301999 563.48454 563.4860604004659 1095.0787461237937 162.1885 C9H10N2O 1 453.34 +13989 12769 3M+2K-H 53523 1082.98416 1082.9858179449084 1135.8203894733078 335.35504 C16H21N3O5 0 568.53 13990 10194 3M+2K-H 590516 716.13252 716.1302881881941 911.3806950976098 213.07116 C9H9BrO 1 751.6 +13991 10405 3M+2K-H 443770 737.7219599999999 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174.57 +14021 2010 M+2K-H 371666 238.11948 238.1185968141193 331.34052863396704 161.20044000000001 C10H11NO 1 663.3 +14022 1591 M+2K-H 590394 217.01589999999996 217.01670438243133 247.42473211715222 140.09685999999996 C5H4N2O3 1 534.63 14025 2895 M+2K-H 386452 279.08528 279.0865150322212 400.0140302052015 202.16624000000002 C10H6N2O3 1 689.99 +14026 3301 M+2K-H 378945 296.11249999999995 296.11261587340397 328.0250922906675 219.19346 C11H9NO4 1 597.54 14027 3591 M+2K-H 185833 307.1533831999999 307.15368419944735 560.9979010464435 230.23434319999993 C14H11FO2 1 851.37 +14029 3400 M+2K-H 615332 300.18732 300.1886738255516 534.651551135994 223.26827999999998 C12H17NO3 1 433.35 14033 4272 M+2K-H 182414 336.2260199999999 336.22764145961264 429.0253043888837 259.3069799999999 C13H17N5O 1 845.06 +14034 6016 M+2K-H 276597 419.21551999999997 419.21658175991683 585.7785493488288 342.29648 C12H22O11 1 627.51 14035 1274 M+2K-H 320607 199.08344 199.08276349841117 288.484144028659 122.1644 C8H10O 0 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1 398.61 +14053 5237 M+2K-H 112967 383.27746 383.2772322113254 679.7256417167679 306.35842 C19H18N2O2 1 776.94 +14054 2463 M+2K-H 382778 260.16805999999997 260.16836981344466 543.0864152495787 183.24901999999997 C13H13N 0 704.77 14055 3876 M+2K-H 22682 319.19066 319.1904790739813 676.7311183850214 242.27161999999998 C11H18N2O4 1 669.32 14056 4424 M+2K-H 172063 343.25996 343.25894077709927 633.1721138043118 266.34092 C16H18N4 1 628.06 14057 3237 M+2K-H 307124 293.11186 293.11318213218664 270.75796579201705 216.19282 C11H8N2O3 1 625.78 14058 4925 M+2K-H 268082 367.28136 367.2811999617223 938.3824146020279 290.36232 C18H18N4 1 512.57 14059 3907 M+2K-H 409649 320.24315999999993 320.2432502479087 563.1840529600545 243.32411999999994 C14H13NOS 1 953.8 +14060 2829 M+2K-H 320307 275.22092 275.221331495178 677.0706025974843 198.30188 C12H22O2 1 1107.27 +14062 7064 M+2K-H 297810 469.20591999999994 469.2060136315024 625.3620897529049 392.28687999999994 C19H22BrNO3 0 558.99 14063 3973 M+2K-H 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14100 2176 M+2K-H 213434 246.20613999999998 246.2062700665003 494.8412893595533 169.28709999999998 C9H15NS 1 786.7 14101 5701 M+2K-H 705447 404.1557399999999 404.15482302123473 394.9618350402771 327.2366999999999 C14H15BrO2S 1 1216.11 14102 3242 M+2K-H 675727 293.15008 293.1495136929964 401.76267108871133 216.23104000000004 C10H16O5 1 655.68 +14105 4176 M+2K-H 702569 332.16949999999997 332.1682285530941 242.24082980300585 255.25046 C9H9N3O4S 1 676.05 +14106 4177 M+2K-H 702569 332.16949999999997 332.1706064176947 374.152312671061 255.25046 C9H9N3O4S 1 676.05 +14107 3724 M+2K-H 203915 313.0637296 313.0652387148772 298.0463880855629 236.14468960000002 C9H7F3O4 0 818.01 +14108 3125 M+2K-H 548740 288.17992000000004 288.1804923639232 388.0085867522664 211.26088000000004 C10H17N3O2 0 626.07 +14110 2072 M+2K-H 540654 241.14330000000004 241.14360333767567 494.30980611815227 164.22426000000004 C10H14NO+ 1 594.38 +14113 3683 M+2K-H 382365 311.12714 311.1276245841701 1015.2100902527241 234.2081 C11H10N2O4 1 666.46 +14114 4488 M+2K-H 484803 346.25884 346.25879729869575 573.9230696094903 269.3398 C20H15N 1 1089.36 +14115 9296 M+2K-H 307683 617.5220199999999 617.5210509572772 814.839291371708 540.6029799999999 C33H32O7 1 813.4 +14116 4937 M+2K-H 82736 368.1784599999999 368.1784941204211 489.7686960900771 291.2594199999999 C13H13N3O5 1 507.83 +14117 8596 M+2K-H 662246 563.2458000000001 563.2456144911234 658.3015674134224 486.32676000000015 C22H34Br2N2 1 1272.12 +14118 8100 M+2K-H 50083 529.4584199999998 529.4601598463362 1157.970747479603 452.5393799999998 C27H32O6 1 1184.21 14122 5360 M+2K-H 166759 389.217041 389.2170149750807 504.7193623557926 312.298001 C15H21O5P 1 1070.6 14126 4070 M+2K-H 184382 327.25396 327.2530348147546 733.6082556443973 250.33492000000004 C18H18O 1 1037.95 +14127 3928 M+2K-H 81164 321.20654 321.20586051738235 556.0641811073293 244.28750000000002 C11H20N2O4 1 572.35 14128 3400 M+2K-H 391145 300.18732 300.1886738255516 534.651551135994 223.26827999999998 C12H17NO3 1 736.79 14132 4713 M+2K-H 586022 357.19060319999994 357.1906854035608 566.4328887582334 280.27156319999995 C13H9FO4S 1 873.58 14133 4202 M+2K-H 290998 333.20061999999996 333.2016375200269 450.17892077717477 256.28157999999996 C9H12N4O3S 0 697.53 +14137 8200 M+2K-H 515080 535.3811699999999 535.3799874308263 1073.959926896393 458.46212999999983 C23H19N2NaO5S 1 872.3 +14138 5547 M+2K-H 403086 396.2547599999999 396.2566377158288 487.69156284607277 319.3357199999999 C14H13N3O4S 1 666.8 +14139 2484 M+2K-H 106142 261.15282 261.152603122919 194.33166722030333 184.23378 C13H12O 1 1006.13 +14144 6340 M+2K-H 187468 433.32962319999984 433.32948339564086 1249.7703322921088 356.41058319999985 C20H17FO3S 1 843.41 +14148 4146 M+2K-H 617576 330.99906 330.9999724258853 660.2589689449402 254.08002000000002 C10H8BrNO2 1 670.55 +14149 5091 M+2K-H 128227 375.21569999999986 375.21483300077733 707.408336732706 298.29665999999986 C15H14N4O3 1 736.96 +14150 3364 M+2K-H 312022 299.0868095999999 299.086034395238 439.6113780750726 222.16776959999996 C7H9F3N4O 1 693.93 14151 4343 M+2K-H 408600 340.08579999999995 340.0841562302618 441.56834795798903 263.16675999999995 C8H4Cl2N2S2 1 1000.6 +14152 3850 M+2K-H 275469 318.15450639999995 318.1539902725898 437.8627199429976 241.23546639999992 C15H9F2N 1 1072.49 +14153 5620 M+2K-H 210436 400.2616199999999 400.2634987633247 901.4580813493646 323.3425799999999 C19H17NO4 1 827.77 +14154 3692 M+2K-H 738158 311.19664 311.1965304566172 500.56723900807407 234.27759999999998 C10H10N4OS 1 627.31 +14155 2048 M+2K-H 13198 240.13536 240.13445913012578 204.53831315993816 163.21632 C10H13NO 1 690.12 14156 2870 M+2K-H 244016 277.17866 277.1797672411302 616.9587743733221 200.25961999999998 C11H8N2S 1 769.78 +14157 10927 M+2K-H 272610 799.6109600000001 799.613035965443 271.6492312864069 722.6919200000001 C36H38N2O14 0 668.24 14158 6016 M+2K-H 443498 419.2170599999999 419.21658175991683 585.7785493488288 342.2980199999999 C15H18O9 1 761.92 +14161 5336 M+2K-H 727283 388.21291999999994 388.21396094109605 627.2913906875267 311.29387999999994 C12H17N5O5 0 413.51 14162 2459 M+2K-H 390010 260.12829999999997 260.12832203404 458.3220915965905 183.20926 C11H9N3 1 614.97 14163 5133 M+2K-H 291004 377.27306 377.2723786377847 497.29036056638284 300.35402 C12H18N3O4S+ 1 655.48 +14164 4782 M+2K-H 228314 360.26725999999996 360.26714195739805 647.6974653073389 283.34821999999997 C15H13N3OS 1 754.5 +14165 3163 M+2K-H 83741 289.2508 289.25210023675686 669.8038789585055 212.33176000000003 C12H24N2O 1 555.68 +14168 4254 M+2K-H 525655 335.2065432 335.20631525872835 538.3495643497338 258.2875032 C16H15FO2 0 969.91 +14173 4637 M+2K-H 20637 354.13324100000006 354.1348068567637 609.0075974981726 277.21420100000006 C9H16N3O5P 1 758.24 +14174 3639 M+2K-H 112847 309.13392100000004 309.13351359405226 527.0513280703216 232.21488100000005 C13H13O2P 1 755.74 +14175 4794 M+2K-H 274612 361.13945999999993 361.1379280037103 362.949201587841 284.22041999999993 C15H8O6 1 784.78 +14176 5095 M+2K-H 400753 375.25215999999995 375.2504568520891 772.2584053162834 298.33311999999995 C18H18O4 1 903.8 +14177 5003 M+2K-H 671069 371.2269999999999 371.22542404132884 476.7901855054863 294.3079599999999 C16H14N4O2 1 669.85 14182 3642 M+2K-H 204859 309.15102 309.1512360373183 575.0115016926694 232.23198000000002 C13H12O4 0 673.57 14183 2695 M+2K-H 588708 269.9575 269.95691412201506 992.5698783353466 193.03846000000001 C6H9BrO2 0 699.02 14184 3038 M+2K-H 345070 285.1026999999999 285.1013785007737 198.23364933303304 208.18365999999995 C16H9Li 0 1119.95 14185 5118 M+2K-H 193342 376.8868 376.8857235770932 1244.6500004878549 299.96776 C6H4Br2O2S 1 943.3 +14187 7227 M+2K-H 737260 478.1927599999999 478.1912276383412 457.3619981617858 401.2737199999999 C19H13BrO3S 1 1064.94 14188 7228 M+2K-H 737260 478.1927599999999 478.1926322950563 470.0733206395567 401.2737199999999 C19H13BrO3S 1 1064.94 +14189 5599 M+2K-H 587261 399.2487431999999 399.2499534841343 804.490418688511 322.3297031999999 C20H15FO3 1 1069.43 +14191 4070 M+2K-H 430476 327.25242 327.2530348147546 733.6082556443973 250.33337999999998 C15H22O3 1 711.26 14193 6418 M+2K-H 192207 438.17372 438.17531398019105 436.1952947890967 361.25468 C13H17BrN2O3S 1 711.5 14197 6496 M+2K-H 258986 441.3334631999998 441.3319978631745 1259.3331971706953 364.4144231999998 C16H13FN2O3S2 0 948.42 +14199 6498 M+2K-H 258986 441.3334631999998 441.33359184870665 1077.8937915388299 364.4144231999998 C16H13FN2O3S2 1 948.42 +14200 4248 M+2K-H 227626 335.1634831999999 335.1634021430365 524.4364564036192 258.2444431999999 C15H11FO3 1 928.94 +14201 3973 M+2K-H 344448 323.22066000000007 323.2213766971344 622.2171848398292 246.30162000000007 C15H18O3 1 780.81 +14202 4206 M+2K-H 648352 333.241441 333.24210772096774 678.4806498556159 256.322401 C17H21P 1 1005.47 +14203 1674 M+2K-H 287384 221.11715999999998 221.11732516178165 593.9237068714751 144.19812 C4H8N4S 0 577.5 14204 2649 M+2K-H 411175 268.10364100000004 268.10392092452884 188.68061154913727 191.18460100000001 C8H16O3P+ 1 625.69 14205 4290 M+2K-H 684413 337.16441999999995 337.16466991859664 584.6068941295522 260.24537999999995 C13H12N2O4 1 672.55 +14206 2839 M+2K-H 486365 276.1277 276.1266512266406 359.15856246350194 199.20865999999998 C11H9N3O 0 650.64 +14207 6105 M+2K-H 304398 423.2207295999999 423.2222342003867 372.4803490077892 346.3016895999999 C15H17F3N2O4 1 671.94 +14208 4197 M+2K-H 694100 333.1537810000001 333.15512395671345 480.2581876844661 256.2347410000001 C12H17O4P 1 715.42 14209 2106 M+2K-H 33072 243.09624 243.0973437039309 203.2151725436301 166.1772 C8H10N2O2 1 592.39 +14210 5354 M+2K-H 517331 389.1532 389.15484650194406 285.2535256088628 312.23416000000003 C16H19Cl2NO 1 632.34 +14212 3189 M+2K-H 674114 291.10728 291.1059402000092 540.5883233781459 214.18824 C15H11LiO 1 1114.49 14219 4642 M+2K-H 862911 354.19823999999994 354.1992072178333 633.3893158212138 277.27919999999995 C12H15N5O3 1 445.3 +14224 6317 M+2K-H 718181 432.30832000000004 432.3096570258115 595.2405659483645 355.38928000000004 C22H17N3O2 1 897.45 +14225 6692 M+2K-H 518752 450.21605999999986 450.21515899329995 623.0004440491201 373.29701999999986 C16H13N4O7+ 1 624.86 +14226 3400 M+2K-H 288279 300.18732 300.1886738255516 534.651551135994 223.26827999999998 C12H17NO3 1 539.59 +14227 1566 M+2K-H 445775 215.10927999999998 215.11021329527816 428.61116628246486 138.19024 C6H6N2S 1 562 14229 12582 M+2K-H 288736 1050.6478630000004 1050.6528010453603 707.5742411788362 973.7288230000004 C32H46N7O20P3S 0 286.97 14230 3864 M+2K-H 735418 319.03141999999997 319.032812175248 1191.819476206849 242.11237999999997 C10H12BrNO 0 687.1 +14231 2812 M+2K-H 35795 275.09174 275.0916791049369 462.0177257877542 198.17270000000002 C9H10O5 1 678.14 14232 2381 M+2K-H 75610 256.17782 256.17666988756554 247.83721613379387 179.25878000000003 C11H17NO 1 731.27 +14233 2040 M+2K-H 124019 240.0923 240.09147391019349 438.5540776125695 163.17326 C9H9NO2 1 637.37 +14234 6757 M+2K-H 589224 453.3194 453.320487483209 680.6662351559837 376.40036 C20H24O7 1 703.82 +14237 4365 M+2K-H 435672 341.08000000000004 341.08004541453175 245.90811666580976 264.16096000000005 C13H14BrN 1 784.59 +14239 6342 M+2K-H 395142 433.33944000000014 433.34158187379506 734.4814129734673 356.42040000000014 C22H20N4O 0 913.07 +14240 1236 M+2K-H 609704 197.09836 197.0979067848486 698.4091528399645 120.17932 C3H8O3Si 1 317.67 +14241 7214 M+2K-H 76892 477.2977663999999 477.3000355253787 839.631142155125 400.3787263999999 C20H18F2N4O3 1 673.81 +14242 1492 M+2K-H 617180 211.09743999999998 211.0966994949007 451.3762107831982 134.17839999999998 C8H10N2 1 126.03 +14243 4580 M+2K-H 728122 351.1909999999999 351.19143033396443 559.2374944177507 274.2719599999999 C14H14N2O4 1 806.53 +14244 2868 M+2K-H 41228 277.1638 277.1641967014699 416.4592554498901 200.24475999999999 C4H4N6S2 1 645.94 14246 2554 M+2K-H 195210 264.1386 264.13849811415326 721.3502077909527 187.21955999999997 C6H9N3O2S 1 443.04 14247 5340 M+2K-H 303924 388.25575999999995 388.25399478902136 383.08044466322616 311.33671999999996 C20H13N3O 1 745.9 +14253 2201 M+2K-H 738588 248.0697 248.06995023990783 249.67196943832565 171.15066000000002 C7H9NO4 1 532.01 14254 4883 M+2K-H 607062 365.22263999999996 365.22184030727874 655.8534361513766 288.30359999999996 C10H20N6O4 1 45.26 +14255 3018 M+2K-H 62753 284.168 284.1689306683844 335.56627995454926 207.24896000000004 C10H9NO2S 1 774.62 +14259 3763 M+2K-H 210359 314.21543999999994 314.2153329778405 665.1207962393673 237.29639999999995 C16H15NO 1 825.22 +14260 3053 M+2K-H 414176 285.21727999999996 285.21701603669453 363.15114213642204 208.29823999999996 C16H16 1 1047.49 14264 2276 M+2K-H 590716 251.11494000000005 251.11399086819222 332.6213725398661 174.19590000000005 C11H10O2 1 889.09 14270 5421 M+2K-H 480373 391.2515599999999 391.2514079779118 433.79501295531617 314.33251999999993 C18H18O5 1 893.66 14271 5422 M+2K-H 480373 391.2515599999999 391.2524443189145 588.6586702009488 314.33251999999993 C18H18O5 1 893.66 +14272 2937 M+2K-H 120806 281.09961999999996 281.09951070715164 314.16494805346116 204.18058 C7H12N2O5 1 150.51 +14273 3081 M+2K-H 222347 286.24686 286.2458159104261 805.5892550801296 209.32782000000003 C13H23NO 1 829.62 +14276 2678 M+2K-H 643106 269.13022 269.1293120979914 579.2916903971882 192.21118 C11H12O3 1 666.7 14278 6404 M+2K-H 497634 437.1936400000001 437.19224969807493 760.7050097609643 360.2746000000001 C22H20N2Ti-- 1 941.55 14279 6405 M+2K-H 497634 437.1936400000001 437.19347917025596 730.1093068390117 360.2746000000001 C22H20N2Ti-- 1 941.55 14280 5132 M+2K-H 489923 377.26812319999993 377.2672894197799 782.9813765798153 300.34908319999994 C13H17FN2O3S 1 937.03 +14281 5819 M+2K-H 229746 410.2585400000001 410.2566641996276 868.4437418461305 333.3395000000001 C17H30Cl2N2 0 677.44 +14282 10953 M+2K-H 856552 803.5566000000002 803.5568184072182 981.5536019763158 726.6375600000002 C34H34N2O16 1 358.44 14283 928 M+2K-H 348464 179.96727999999996 179.96741459686945 319.57785154761297 103.04823999999998 C5H6LiNO 1 707.99 +14284 8796 M+2K-H 44003 575.44228 575.442325075453 1032.3319461759652 498.52323999999993 C30H26O7 1 1061.35 +14287 6365 M+2K-H 257386 435.1384799999998 435.1387361066028 356.9493924080159 358.2194399999998 C14H6N4O8 1 638.97 14289 3924 M+2K-H 523830 321.1718496 321.17273901478967 468.138136912817 244.25280959999995 C13H15F3O 1 996.91 +14292 5046 M+2K-H 423989 373.1965199999999 373.19794334673037 702.3644731727693 296.2774799999999 C16H12N2O4 1 816.94 +14293 2792 M+2K-H 56287 274.10698 274.1069601986587 497.0050925680942 197.18794 C9H11NO4 1 519.44 14294 5411 M+2K-H 270997 391.20849999999984 391.20883426746616 548.8394176120238 314.28945999999985 C17H14O6 1 836.14 +14295 4605 M+2K-H 330533 352.30661999999995 352.305300782152 828.5339417444324 275.38757999999996 C11H17NO3S2 1 759.21 14298 6089 M+2K-H 569017 422.27572959999986 422.2739625574806 709.8762761168681 345.35668959999987 C17H22F3NO3 1 829.6 14300 3991 M+2K-H 100077 324.16566 324.1649399051623 377.3529268923897 247.24661999999998 C13H13NO4 1 661.54 14301 2902 M+2K-H 327377 279.17139999999995 279.1701360769105 472.2959495285904 202.25235999999998 C12H14N2O 1 660.51 +14302 1392 M+2K-H 537680 205.13438 205.1336442260066 333.6496402223885 128.21534 C7H16N2 1 130.82 14308 3917 M+2K-H 606603 321.146381 321.14519251176574 614.0626468087685 244.227341 C10H17N2O3P 1 658.46 14309 3918 M+2K-H 606603 321.146381 321.14763868951746 389.68095790009903 244.227341 C10H17N2O3P 1 658.46 14310 4906 M+2K-H 280639 366.37304000000006 366.37282818961774 1005.270552271677 289.45400000000006 C16H35NO3 1 1117.37 +14311 3281 M+2K-H 94000 295.12774 295.1284772920825 281.8482531082658 218.2087 C11H10N2O3 1 623.46 +14313 5220 M+2K-H 704454 383.1287 383.1302682425932 235.22739189225086 306.20966 C15H9Cl2NS 0 1280.76 +14314 2950 M+2K-H 385240 281.20712000000003 281.20821534537316 875.1317704594685 204.28808 C12H12OS 1 1057.34 14315 3734 M+2K-H 197725 313.13972 313.1391580651475 334.84020635133993 236.22068 C12H12O5 1 783.35 14321 2903 M+2K-H 507163 279.1747 279.17381318770737 861.2195059576065 202.25565999999998 C11H14N4 1 103.96 +14323 2569 M+2K-H 241495 265.0472864 265.0468798050639 329.7743176161849 188.12824640000002 C8H6F2O3 1 724.02 14324 3461 M+2K-H 254855 302.20474 302.2055604678112 420.82931606095366 225.28570000000002 C15H15NO 1 851.65 14325 3475 M+2K-H 26536 303.1003 303.1009109127419 337.22360989839365 226.18126 C7H14O8 1 262.81 14328 4649 M+2K-H 174881 354.26444 354.26343896987777 694.6382319264803 277.3454 C12H15N5OS 1 602.09 14329 3560 M+2K-H 409519 306.15367999999995 306.15464772294183 380.8048034523108 229.23463999999996 C12H11N3O2 1 704.06 +14330 2236 M+2K-H 371228 249.20678 249.20598108798646 675.3471663333532 172.28774 C9H16OS 1 652.34 14331 1079 M+2K-H 607595 187.11579999999998 187.11602674497595 361.55614201520063 110.19676 C8H14 1 792.22 14332 3088 M+2K-H 243884 287.06950960000006 287.06946700129953 235.74913020043067 210.15046960000004 C8H9F3O3 1 693.38 +14333 6097 M+2K-H 106828 423.12635999999986 423.1276110417523 345.4367484024328 346.20731999999987 C18H13Cl2NO2 1 1174.27 +14334 2106 M+2K-H 483529 243.09624 243.0973437039309 203.2151725436301 166.1772 C8H10N2O2 1 579.21 +14339 4293 M+2K-H 635545 337.1745495999999 337.17563185440855 418.22663788895164 260.2555095999999 C12H15F3N2O 1 572.05 +14340 3339 M+2K-H 365867 298.09191999999996 298.09339953333415 441.7199738888128 221.17288 C8H7N5O3 0 585.3 14341 8203 M+2K-H 475461 535.4876799999998 535.489720398277 1116.3659116502038 458.56863999999985 C28H26O4S 0 895.8 14342 5564 M+2K-H 194532 397.2561399999999 397.2577360467426 607.4822522364713 320.3370999999999 C17H20O6 1 802.38 14344 3941 M+2K-H 121211 322.16802319999994 322.1677844057796 427.5067609103909 245.24898319999994 C14H12FNO2 1 821.87 +14345 3018 M+2K-H 184407 284.168 284.1689306683844 335.56627995454926 207.24896 C10H9NO2S 1 741.05 +14346 5164 M+2K-H 366381 379.24569999999994 379.24717487816883 627.7610487620184 302.32665999999995 C19H14N2O2 1 902.3 14347 2065 M+2K-H 699775 241.09865999999997 241.09747516992275 565.9714329960498 164.17961999999997 C5H8O4S 1 586.78 +14348 2010 M+2K-H 6314 238.11947999999995 238.1185968141193 331.34052863396704 161.20043999999996 C10H11NO 1 605.09 +14350 3661 M+2K-H 563752 310.1142632 310.11273414103135 326.81221874556127 233.1952232 C12H8FNO3 1 622.63 +14352 5554 M+2K-H 533304 397.111621 397.11327765697894 416.3548231511753 320.192581 C10H13N2O8P-- 0 534.37 +14356 5805 M+2K-H 631574 410.1254000000001 410.1273450282271 481.9438177389653 333.20636000000013 C13H9BrN4S 1 733.14 14357 4003 M+2K-H 250069 325.0777296 325.0777190986038 283.82874795805446 248.1586896 C9H7F3N2O3 1 746.14 14363 2640 2M+2K 201995 267.206438 267.20675978372645 545.9244693728938 228.24328 C14H12O3 1 875.85 +14364 2664 2M+2K 190558 268.262458 268.2632979752226 854.6279782018773 229.2993 C9H15N3O2S 1 755.73 +14365 1931 2M+2K 431245 233.19021800000002 233.19023176981037 644.541322535909 194.22706000000002 C11H14O3 1 847.6 14369 1888 2M+2K 210209 231.17433800000003 231.174522407555 744.6444533412334 192.21118000000004 C11H12O3 1 761.64 +14370 2386 2M+2K 638414 256.2283979999999 256.22722722643596 650.0444585890059 217.26523999999992 C16H11N 1 931.23 +14371 6895 2M+2K 640453 459.250468 459.250357401402 512.5082840138431 420.28731 C19H21IN2O 1 945.23 14373 1693 2M+2K 251276 222.169118 222.16994811413852 322.1173909478825 183.20596 C12H9NO 1 892.67 14374 1297 2M+2K 371666 200.163598 200.16457482526738 517.5355389173843 161.20044000000001 C10H11NO 1 663.3 14375 2174 2M+2K 424266 246.188978 246.1895516752902 386.8792513588891 207.22582 C11H13NO3 1 651.81 14376 3018 2M+2K 522937 284.1690812 284.1689306683844 335.56627995454926 245.20592319999997 C13H8FNO3 1 780.35 14377 1272 2M+2K 35515 199.075619 199.07537446584413 539.4199247508957 160.112461 C8H5N2P 1 726.48 +14378 5899 2M+2K 96094 414.2179779999999 414.21911894333033 774.9157630197506 375.2548199999999 C16H23BrO5 1 1042.64 +14380 7059 2M+2K 268192 468.38791799999996 468.3874207917062 1031.845193905974 429.42475999999994 C24H19N3O5 1 782.66 +14381 7060 2M+2K 268192 468.38791799999996 468.3887765090857 1045.015031833036 429.42475999999994 C24H19N3O5 1 782.66 +14382 4714 2M+2K 287492 357.19309799999996 357.19414592947004 390.8013284439141 318.22993999999994 C12H16BrNO2S 1 968.43 +14383 3205 2M+2K 697321 291.27089800000005 291.2721931141256 723.9174513849432 252.30774000000002 C17H16O2 1 1029.52 +14384 1812 2M+2K 213536 228.133938 228.1343266877066 253.59373716838581 189.17078 C9H7N3O2 1 637.5 14385 1341 2M+2K 493705 202.179478 202.18028867429578 1087.3342592180716 163.21632 C10H13NO 1 460.64 14386 1342 2M+2K 493705 202.179478 202.18031170282669 249.87277094879488 163.21632 C10H13NO 1 460.64 +14388 3497 2M+2K 379829 304.08406119999995 304.0843849345954 292.47181151266926 265.12090319999993 C13H10BrF 1 1178.15 +14390 2787 2M+2K 303814 273.25737799999996 273.25753914814254 907.5091304401626 234.29421999999997 C13H18N2O2 1 514.87 +14391 2035 2M+2K 266101 239.237858 239.23714727984552 875.4915586370295 200.2747 C11H20O3 1 1041.57 +14392 2491 2M+2K 184055 261.205158 261.20612888330527 660.0402570515682 222.242 C14H10N2O 1 874.23 +14393 1588 2M+2K 475046 216.206058 216.2068768798867 183.7400046415038 177.24290000000002 C11H15NO 1 668.79 +14394 2870 2M+2K 314655 277.181079 277.1797672411302 616.9587743733221 238.21792100000002 C9H19O5P 1 758.81 +14396 863 2M+2K 116998 176.09913799999998 176.09994019955556 426.01693896462893 137.13598 C7H7NO2 1 245.93 14397 8153 2M+2K 294336 532.4817676 532.4794506040944 1139.2143542316348 493.51860960000005 C25H30F3N3O4 1 676 14398 1966 2M+2K 292284 235.20609800000003 235.2056792316725 692.848762216732 196.24294000000003 C11H16O3 1 745.24 +14400 3549 2M+2K 172063 305.304078 305.3030241053062 748.3902861388195 266.34092 C16H18N4 1 628.06 +14401 3951 2M+2K 222379 322.2439780000001 322.2454154775628 688.0978791308612 283.28082000000006 C13H28Cl2N2 1 388.51 +14402 2096 2M+2K 654367 242.18541799999997 242.18585442797638 356.2912538229394 203.22225999999998 C5H9N5O2S 1 658.51 +14403 1693 2M+2K 54002 222.17087800000002 222.16994811413852 322.1173909478825 183.20772000000002 C8H13N3O2 1 571.51 14404 2024 2M+2K 493218 239.091579 239.091516124019 440.5870831997386 200.128421 C8H9O4P-- 1 626.45 14405 800 2M+2K 144105 172.13361799999998 172.13335948318172 670.1090300795757 133.17046 C8H9N2+ 1 678.89 +14407 3661 2M+2K 100703 310.11345800000004 310.11273414103135 326.81221874556127 271.1503 C12H15BrO2 1 1066.69 14408 2785 2M+2K 361047 273.217618 273.2172363491564 497.7078400614246 234.25446 C11H14N4O2 1 140.17 14410 7672 2M+2K 435206 503.33945799999987 503.3369568623808 641.4332162463254 464.37629999999984 C21H20O12 1 660.88 14417 3192 2M+2K 622530 291.143478 291.14469134786407 427.1616634492247 252.18032 C10H8N2O6 1 44.76 +14418 1426 2M+2K 108390 207.113178 207.11280451876408 287.97188817867396 168.15002 C7H8N2O3 1 547.94 +14430 4055 2M+2K 196682 327.10641719999995 327.10691233816783 441.04454671287954 288.14325919999993 C10H6F6O3 1 844.76 +14431 3269 2M+2K 702569 294.213618 294.2141627225186 675.260186049696 255.25046 C9H9N3O4S 1 676.05 +14433 4119 2M+2K 317456 329.317338 329.3161589418834 802.9004834034446 290.35418 C17H22O4 1 1105.57 +14435 1393 2M+2K 849101 205.137058 205.13752997092803 171.30923956294782 166.1739 C9H10O3 1 680.8 +14436 1362 2M+2K 61400 203.164238 203.1642732224213 597.3025285560702 164.20108000000002 C10H12O2 1 740.75 14438 182 2M+2K 348634 130.08676333399998 130.08650909599828 188.66290173421612 91.12360533399999 C4H5D3O2 1 548.66 +14440 974 2M+2K 48261 181.158718 181.15868140606224 949.3716267270293 142.19556 C8H14O2 1 828.53 +14441 2915 2M+2K 660217 280.117878 280.118032880836 612.2569361682051 241.15472 C10H18Cl2O2 1 1139.89 14442 1693 2M+2K 29662 222.16911799999997 222.16994811413852 322.1173909478825 183.20595999999998 C12H9NO 1 743.2 14444 1481 2M+2K 557396 210.16017799999997 210.16031923263157 229.06070568900665 171.19701999999998 C7H13N3O2 1 382.23 +14445 4928 2M+2K 496197 367.37513799999994 367.3759333681083 1064.3942968236272 328.4119799999999 C15H12N4OS2 1 741.2 14447 2301 2M+2K 528445 252.195098 252.19531265286727 712.7189258126169 213.23194 C13H11NO2 1 712.1 14448 9348 2M+2K 291144 622.4296779999997 622.4304336583926 771.932014759937 583.4665199999997 C24H48O4S2Sn 1 1215.53 +14450 5530 2M+2K 139519 395.353958 395.3552869902878 894.8990640701437 356.39079999999996 C16H20O7S 1 923.44 +14451 1932 2M+2K 84739 233.19351799999998 233.19434722206117 443.2187380609691 194.23036 C10H14N2O2 1 685.03 +14452 4904 2M+2K 405197 366.29773799999987 366.29708823827264 900.1324333406317 327.33457999999985 C17H17N3O4 1 623.11 +14453 5371 2M+2K 671367 389.2880179999999 389.2877684616659 728.6341560885262 350.3248599999999 C19H14N2O5 1 892.06 +14454 1341 2M+2K 170630 202.179478 202.18028867429578 1087.3342592180716 163.21632 C10H13NO 1 470.09 14455 1342 2M+2K 170630 202.179478 202.18031170282669 249.87277094879488 163.21632 C10H13NO 1 470.09 +14456 3205 2M+2K 403018 291.27089800000005 291.2721931141256 723.9174513849432 252.30774000000002 C17H16O2 1 1147.44 +14460 7590 2M+2K 515080 497.42528799999985 497.4237025555583 914.6749128036611 458.46212999999983 C23H19N2NaO5S 1 872.3 14463 1774 2M+2K 246584 226.199338 226.1994112277378 1093.6790486617042 187.23618000000002 C9H17NO3 1 647.27 +14464 2817 2M+2K 508498 275.126979 275.12772874947876 578.6092316015729 236.163821 C10H9N2O3P 1 476.37 14466 2642 2M+2K 110789 267.231338 267.23165317836816 945.6583281430356 228.26818 C9H12N2O3S 1 454.09 +14469 10131 2M+2K 291079 706.5891579999998 706.5857129533358 1237.3078182269808 667.6259999999997 C30H60O4S2Sn 1 1215.53 +14470 1889 2M+2K 20695 231.177638 231.17858031182416 612.5612321095379 192.21448 C10H12N2O2 1 137.53 +14471 2925 2M+2K 275469 280.1986243999999 280.19863002133627 591.0314012712959 241.23546639999992 C15H9F2N 1 1072.49 +14474 4931 2M+2K 128096 368.111318 368.11238057677383 519.4971815581383 329.14815999999996 C15H9BrN2O2 1 809.41 14475 5883 2M+2K 733058 413.30821800000007 413.3088212489049 720.0974291245415 374.34506000000005 C19H29Cl2NO2 1 901.37 +14477 10275 2M+2K 258794 724.3813076000001 724.3791349447503 1137.2352467519154 685.4181496000001 C31H16BrF3O8S 1 1287.39 +14478 5196 2M+2K 443498 381.2611779999999 381.2628314429828 681.7801150329483 342.2980199999999 C15H18O9 1 761.92 14487 3156 2M+2K 185823 289.1790275999999 289.17984845634686 639.8358250664055 250.21586959999993 C14H9F3O 1 953.98 14488 7270 2M+2K 82436 480.3239580000002 480.3242036363864 828.5943214217614 441.36080000000015 C23H25BrN2O2 1 689.75 14489 3969 2M+2K 274612 323.18357799999995 323.18465300401 561.9595053616401 284.22041999999993 C15H8O6 1 784.78 14490 1792 2M+2K 478525 227.164178 227.16412035344058 544.0283414867819 188.20102 C7H8O4S 1 635.55 14491 3911 2M+2K 235761 320.3154179999999 320.3157055505727 925.6362957194972 281.3522599999999 C17H19N3O 1 726.73 +14492 1517 2M+2K 94204 212.174298 212.17452172559564 600.4600023140803 173.21114 C11H11NO 1 831.31 14497 5951 2M+2K 101477 416.35311799999994 416.3518413847595 542.307510892066 377.3899599999999 C22H19NO5 1 1059.45 +14498 5952 2M+2K 101477 416.35311799999994 416.3529832522479 532.2645001522485 377.3899599999999 C22H19NO5 1 1059.45 +14499 3561 2M+2K 720010 306.15931900000004 306.15948489178993 1114.5531420553589 267.196161 C7H10NO6PS 1 264.69 +14500 2161 2M+2K 218562 245.22735799999998 245.22640231110657 836.3203526607084 206.2642 C10H10N2OS 1 578.83 +14503 3885 2M+2K 24096 319.28253799999993 319.28395578945293 908.9856239264984 280.3193799999999 C21H12O 1 1055.07 +14509 5488 2M+2K 111220 394.22347799999983 394.22163190585843 504.2158423563647 355.2603199999998 C12H13N5O8 1 410.62 14510 5489 2M+2K 111220 394.22347799999983 394.2226785456955 629.5574901496766 355.2603199999998 C12H13N5O8 1 410.62 +14511 1607 2M+2K 397185 217.190818 217.19119982415745 232.63382844273826 178.22766000000001 C11H14O2 1 774.54 +14514 3940 2M+2K 251412 322.16588759999996 322.1645698262011 483.93213554784643 283.20272959999994 C13H8F3NO3 1 791.68 14515 4232 2M+2K 391512 334.25103799999994 334.2495383564413 552.4520930858757 295.2878799999999 C14H17NO6 1 760.46 +14519 1013 2M+2K 4971 183.17459799999997 183.1743663481576 696.7449882623489 144.21143999999998 C8H16O2 1 815.11 14520 3353 2M+2K 579501 298.2387212 298.2372758892782 760.4617142954044 259.27556319999997 C15H14FNO2 1 770.85 14521 5503 2M+2K 718181 394.35243800000006 394.35158571274167 998.2844097553395 355.38928000000004 C22H17N3O2 1 897.45 14522 5504 2M+2K 718181 394.35243800000006 394.3529553394009 1006.4769400406561 355.38928000000004 C22H17N3O2 1 897.45 14523 1889 2M+2K 399643 231.17763799999997 231.17858031182416 612.5612321095379 192.21447999999998 C10H12N2O2 1 699.2 14529 2766 2M+2K 325109 272.22955799999994 272.22984522078815 812.4507673889622 233.26639999999995 C12H15N3O2 1 487 14530 2787 2M+2K 596147 273.25737799999996 273.25753914814254 907.5091304401626 234.29421999999994 C13H18N2O2 1 713.65 +14532 6448 2M+2K 76892 439.3418843999999 439.3419140296898 728.291493830356 400.3787263999999 C20H18F2N4O3 1 673.81 +14543 6679 2M+2K 119605 449.3366779999997 449.3372264145457 639.8557073997035 410.3735199999997 C22H18O8 1 1003.45 14544 3842 2M+2K 431859 317.26687799999996 317.2681788521737 896.6890672529014 278.30371999999994 C14H18N2O4 1 442.18 14545 1162 2M+2K 632831 192.10183799999996 192.10201494665657 335.957096818511 153.13867999999997 C6H7N3O2 1 256.82 14546 2226 2M+2K 118950 249.09541079999994 249.09517758048824 354.3552979287871 210.13225279999995 C6H6F4N4 1 344.43 +14549 6748 2M+2K 118697 453.2098835999998 453.2078199687093 540.4200215587929 414.24672559999976 C17H10F8O3 1 1262.75 +14550 6749 2M+2K 118697 453.2098835999998 453.2091210598501 535.5959553817719 414.24672559999976 C17H10F8O3 1 1262.75 +14554 3541 2M+2K 89615 305.21641800000003 305.21513803666653 426.6192849994471 266.25326 C11H14N4O4 1 786.11 +14555 3525 2M+2K 138184 305.085818 305.08611956485225 814.5593873610349 266.12266 C13H9Cl2NO 1 949.53 +14556 3833 2M+2K 168562 317.177458 317.17854419346514 359.742019458233 278.2143 C13H10O7 1 693.04 +14557 1660 2M+2K 512136 220.154998 220.15451251384206 426.41332609004553 181.19184 C8H11N3O2 1 474.33 +14558 1532 2M+2K 590716 213.15905800000004 213.15963057408038 380.0985503171536 174.19590000000005 C11H10O2 1 889.09 +14559 1572 2M+2K 522604 215.17493800000003 215.17553391692422 366.7748461231678 176.21178000000003 C11H12O2 1 871.21 14563 6833 2M+2K 567069 457.15757800000006 457.1563527171446 557.9717381606777 418.19442000000004 C21H33NSn 1 675.54 +14564 2194 2M+2K 40998 247.17373800000004 247.17355740474287 342.8395532604492 208.21058000000005 C11H12O4 1 816.6 14570 2238 2M+2K 614240 250.07064899999997 250.07082639596433 392.41127843673445 211.10749099999998 C7H9NaO4P+ 1 93.17 +14571 3929 2M+2K 728772 321.20921799999996 321.2099443158156 257.3065089419863 282.24605999999994 C13H14O7 1 729.78 +14572 5557 2M+2K 257386 397.1825979999998 397.18443713563306 504.5492325012241 358.2194399999998 C14H6N4O8 1 638.97 +14573 3704 2M+2K 597697 312.08781799999997 312.0893252954461 447.4239406993531 273.12465999999995 C14H9BrO 1 1016.79 +14574 8043 2M+2K 194684 525.308548 525.3093894139888 627.0797076605579 486.34539 C23H23IN2O2 1 890.96 +14575 1460 2M+2K 207056 209.10094120000002 209.10030229919332 396.9970804974061 170.13778320000003 C8H7FO3 1 682.6 +14576 2423 2M+2K 220326 258.159918 258.1606420347713 670.4181887210148 219.19675999999998 C10H9N3O3 1 632.07 +14577 1837 2M+2K 488364 229.1255276 229.12582266560872 572.2307900452469 190.1623696 C9H9F3O 1 878.38 +14578 4003 2M+2K 551016 325.077218 325.0777190986038 283.82874795805446 286.11406 C11H9Cl2N3O2 1 689.36 14579 5968 2M+2K 385846 417.224998 417.22418612646385 688.5345188185596 378.26184 C21H16BrNO 1 1031.83 +14580 4837 2M+2K 110608 363.164958 363.1649425579121 433.0589909164414 324.2018 C16H15Cl2NO2 1 948.33 14581 1581 2M+2K 46834 216.123238 216.12319205653898 394.99105443886646 177.16008 C8H7N3O2 1 466.94 +14584 1931 2M+2K 339715 233.19021800000004 233.19023176981037 644.541322535909 194.22706000000005 C11H14O3 1 789.77 +14589 10822 2M+2K 849663 787.689058 787.6872564290604 1067.684288713149 748.7259 C39H40O15 1 855.42 +14590 881 2M+2K 604828 177.126958 177.12754769072657 581.5374482282625 138.1638 C8H10O2 1 670.45 +14591 2995 2M+2K 606603 283.190499 283.1904828580269 601.7607329084906 244.227341 C10H17N2O3P 1 658.46 14592 1607 2M+2K 288345 217.19081800000004 217.19119982415745 232.63382844273826 178.22766000000004 C11H14O2 1 850.06 14594 1572 2M+2K 96889 215.174938 215.17553391692422 366.7748461231678 176.21178 C11H12O2 1 844.16 +14595 705 2M+2K 383528 167.089078 167.08931532289353 227.0140450557856 128.12592 C6H8O3 1 573.1 +14601 3156 2M+2K 488862 289.1807876 289.17984845634686 639.8358250664055 250.21762959999995 C10H13F3N2O2 1 862.56 14603 4334 2M+2K 301793 339.22603799999996 339.2274315516058 471.24896441342105 300.26287999999994 C16H12O6 1 813.01 14604 4464 2M+2K 342738 345.2455876 345.2466444144417 535.5003568059693 306.2824296 C16H13F3N2O 1 869.92 +14606 2819 2M+2K 855613 275.13923800000003 275.13883094614414 431.79027294594067 236.17608 C8H12O8 1 580.4 +14607 1784 2M+2K 241495 227.09140440000002 227.09141427069153 401.6589363529234 188.12824640000002 C8H6F2O3 1 724.02 +14608 2580 2M+2K 26536 265.14441800000003 265.14331544309204 551.1932761702177 226.18126 C7H14O8 1 262.81 +14609 2315 2M+2K 339761 253.118159 253.118278740741 314.0978741068655 214.155001 C9H11O4P 1 740.58 +14611 4682 2M+2K 20821 356.15085799999997 356.1520492686755 553.062410328668 317.18769999999995 C13H10Cl2O3S 1 1049.84 +14617 3983 2M+2K 621759 324.10745800000007 324.1076163570054 365.1125793960006 285.14430000000004 C9H10Cl2O4S 1 864.54 14619 4089 2M+2K 40326 328.1847590000001 328.18630363034254 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858.5598036799272 247.33442000000002 C9H13NO3S2 1 701.21 +15109 826 M+2K+H 170413 174.075952 174.07637969323588 178.1479166783144 95.14236 C6H9N 1 660.84 +15111 1350 M+2K+H 300034 203.07411199999999 203.07442838604754 282.56523054898037 124.14051999999998 C6H8N2O 1 39.12 +15115 3010 M+2K+H 669589 284.12201519999996 284.12074946599466 522.6757820326109 205.1884232 C10H8FN3O 0 651.86 +15116 3247 M+2K+H 385402 293.196652 293.1974990103803 587.8543178952008 214.26305999999997 C13H14N2O 1 817.44 +15117 4298 M+2K+H 525655 337.22109520000004 337.2199917190712 579.1859641510822 258.2875032 C16H15FO2 0 969.91 +15118 4407 M+2K+H 17279 342.31033200000013 342.3108641332449 915.8869953927268 263.3767400000001 C19H21N 1 823.95 15119 1387 M+2K+H 280008 205.086692 205.0860369924755 561.9675195531437 126.1531 C7H10O2 1 640.28 +15120 4108 M+2K+H 185823 329.14946159999994 329.14975515656585 606.4636580723245 250.21586959999993 C14H9F3O 1 953.98 15121 6687 M+2K+H 183176 450.140032 450.1395369353332 427.40385280546354 371.20644 C13H11BrN2O4S 1 823.16 +15122 1924 M+2K+H 472035 233.118392 233.11728582086317 595.0933750635126 154.1848 C4H10O4S 1 312.54 +15124 8003 M+2K+H 338362 522.2345479999998 522.2322644785402 504.85026948905005 443.30095599999976 C18H6F5NO5S 1 833.72 +15125 4204 M+2K+H 670274 333.211072 333.2098022314991 385.7127882780454 254.27748 C10H22O7 1 353.02 +15126 3686 M+2K+H 112847 311.1484730000001 311.1471802624603 541.2627836155967 232.21488100000005 C13H13O2P 1 755.74 +15127 3687 M+2K+H 112847 311.1484730000001 311.1489109391464 497.5576851562019 232.21488100000005 C13H13O2P 1 755.74 +15133 6804 M+2K+H 548489 455.3339519999997 455.3359973343341 672.1587068264257 376.40035999999975 C20H24O7 1 833.86 +15135 7261 M+2K+H 737260 480.2073119999999 480.2055634853536 405.85803452476364 401.2737199999999 C19H13BrO3S 1 1064.94 +15136 3378 M+2K+H 734480 299.19793200000004 299.1965459894716 610.4062317439935 220.26434 C13H16O3 1 769.89 +15137 2152 M+2K+H 61947 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527940 385.128926 385.1290709577713 191.16806349461604 302.06854999999996 C9H7IN2O2 1 741.41 +15635 1532 M+2ACN+H 283992 213.15911599999998 213.15963057408038 380.0985503171536 130.09873999999996 C5H6O4-- 1 603.72 +15636 3054 M+2ACN+H 597508 285.22177600000003 285.221177869832 637.6799105732521 202.16140000000001 C8H10O6 1 634.28 15639 5225 M+2ACN+H 726177 383.152806 383.15340801305365 529.1581395055301 300.09243 C11H9IO2 1 992.5 15641 2301 M+2ACN+H 126699 252.195156 252.19531265286727 712.7189258126169 169.13478 C7H7NO4 1 661.04 15642 4501 M+2ACN+H 435672 347.22133600000006 347.2218918707379 589.4732431382661 264.16096000000005 C13H14BrN 1 784.59 15643 3089 M+2ACN+H 202797 287.0999592 287.1005878580949 520.0585947574259 204.03958319999998 C7H7BrFN 1 590.9 +15644 2723 M+2ACN+H 195210 270.27993599999996 270.27910343784094 922.5520317157317 187.21955999999997 C6H9N3O2S 1 443.04 +15645 4255 M+2ACN+H 552590 335.21459519999996 335.2153780669127 419.3531798255338 252.15421919999994 C8H10F6O2 1 858.04 15646 2959 M+2ACN+H 365136 282.097136 282.0970184546413 365.51161695466635 199.03676 C8H4Cl2N2 1 820.17 +15647 2143 M+2ACN+H 7199 245.076976 245.07783952823598 1264.385294915927 162.0166 C6H5Cl2N 1 721.41 +15648 2144 M+2ACN+H 7199 245.076976 245.07818393177456 723.7471656227405 162.0166 C6H5Cl2N 1 721.41 +15650 4348 M+2ACN+H 579476 340.1481592 340.1495976425007 334.37138515276143 257.0877832 C12H7Cl2FO 1 973.33 15651 3549 M+2ACN+H 540717 305.30413599999997 305.3030241053062 748.3902861388195 222.24375999999998 C10H14N4O2 1 190.55 +15661 4806 M+2ACN+H 168562 361.274676 361.2729503388857 696.0433513500151 278.2143 C13H10O7 1 693.04 +15662 2563 M+2ACN+H 512136 264.25221600000003 264.25336395929776 818.7325813498362 181.19184 C8H11N3O2 1 474.33 +15663 3699 M+2ACN+H 387391 311.30695599999996 311.30546149617146 892.5228464972142 228.24657999999997 C13H12N2O2 1 699.78 +15664 6546 M+2ACN+H 526453 444.1893487999999 444.1873929310935 505.1617996515754 361.1289727999999 C15H9BrF4O 1 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369.17624288030277 387.72082286717193 286.11406 C11H9Cl2N3O2 1 689.36 15681 2095 M+2ACN+H 657003 242.18323699999996 242.1829537324827 593.3222309298056 159.12286099999997 C6H10NO2P 1 665.09 +15685 5370 M+2ACN+H 704454 389.270036 389.26922135951037 688.170257094859 306.20966 C15H9Cl2NS 1 1280.76 15688 4032 M+2ACN+H 398529 326.14630600000004 326.1468478066619 734.7083740868072 243.08593000000002 C6H14INO 1 633.28 15690 4688 M+2ACN+H 510084 356.19229519999993 356.19192461705575 329.629381050941 273.1319191999999 C9H5F6NO2 1 862.32 15693 2153 M+2ACN+H 205891 245.15400919999996 245.15353878041034 501.0726869357274 162.09363319999997 C7H4FNaO2 1 656.43 +15698 3248 M+2ACN+H 243884 293.2108456 293.2109719552903 591.2709785911056 210.15046960000004 C8H9F3O3 1 693.38 +15699 4939 M+2ACN+H 621759 368.20467600000006 368.20631167943 504.9892183439357 285.14430000000004 C9H10Cl2O4S 1 864.54 15700 8145 M+2ACN+H 192993 532.327076 532.3294371686534 771.0814288821412 449.2667 C18H15S3Sb 0 712.24 15701 5277 M+2ACN+H 23307 385.23673600000006 385.2371113120333 635.6036607239897 302.17636000000005 C12H9Cl2NO2S 1 987.92 15704 2790 M+2ACN+H 571224 274.075136 274.074483289789 283.16095939875964 191.01476 C6H4Cl2N2O 1 617.92 15705 5689 M+2ACN+H 533304 403.25295700000004 403.25134072309305 596.8073556056497 320.192581 C10H13N2O8P-- 1 534.37 15706 3842 M+2ACN+H 594725 317.26847599999996 317.2681788521737 896.6890672529014 234.20809999999997 C11H10N2O4 1 624.12 +15712 1228 M+IsoProp+Na+H 393910 196.1788912 196.17798547054906 498.560817753416 112.1248832 C6H7FN+ 1 431.58 +15720 1447 M+IsoProp+Na+H 372761 208.132829 208.1333920150498 576.7589673410545 124.07882099999999 C2H9N2O2P 1 399.38 +15724 2099 M+IsoProp+Na+H 564741 242.248968 242.24775946504238 877.463464150815 158.19496 C8H14O3 1 630.65 +15725 5663 M+IsoProp+Na+H 287492 402.28394799999995 402.28488955181024 582.2262435175834 318.22993999999994 C12H16BrNO2S 1 968.43 +15727 6273 M+IsoProp+Na+H 262804 430.3868679999998 430.3886090280744 893.5471994946167 346.3328599999998 C21H14O5 0 1195.14 15729 2178 M+IsoProp+Na+H 486604 246.242508 246.2426702025712 968.8905140611339 162.1885 C9H10N2O 1 612.94 +15731 5713 M+IsoProp+Na+H 391249 404.30136799999997 404.30090423094833 623.9963585930623 320.24735999999996 C15H14BrNS 1 1019.77 +15739 4006 M+IsoProp+Na+H 325123 325.1104512 325.11115803468437 350.20405206915456 241.0564432 C10H6BrFO 1 858.87 +15740 4679 M+IsoProp+Na+H 322054 356.09657799999997 356.09692297100065 359.5180900568817 272.04256999999996 C8H5IN2O 0 812.32 +15741 3767 M+IsoProp+Na+H 328189 314.2685680000001 314.268703906251 770.1116085724213 230.21456000000006 C10H14O6 1 715.61 15742 2908 M+IsoProp+Na+H 128068 279.249208 279.24862982817905 908.2798576579142 195.1952 C8H5NO3S 1 559.65 15743 3860 M+IsoProp+Na+H 686326 318.30032800000004 318.29986889775046 848.2700646951545 234.24632000000003 C10H18O6 1 569.59 +15744 7304 M+IsoProp+Na+H 59810 482.2961279999999 482.2951845817735 688.8811061289134 398.2421199999999 C20H13Cl2N3O2 0 927.3 +15745 3384 M+IsoProp+Na+H 281719 299.30512799999997 299.30552237969687 916.2488805497262 215.25111999999996 C12H13N3O 1 616.76 +15746 2321 M+IsoProp+Na+H 383192 253.19208799999996 253.19105358715527 540.7382661196519 169.13807999999997 C6H7N3O3 1 555.17 15749 4187 M+IsoProp+Na+H 32873 332.33174799999995 332.33127136982904 807.7065074783045 248.27773999999997 C13H16N2O3 1 564.73 +15751 6128 M+IsoProp+Na+H 207499 424.3625311999999 424.36267518268045 890.2557677856005 340.3085231999999 C17H13FN4O3 1 789.28 +15752 3954 M+IsoProp+Na+H 614851 322.29540799999995 322.29496931169115 857.5446474065151 238.24139999999997 C14H10N2O2 1 664.41 +15757 9875 M+IsoProp+Na+H 259166 676.7166880000001 676.7176657750667 413.9366125833031 592.6626800000001 C30H32N4O7S 0 871.41 15758 7933 M+IsoProp+Na+H 241916 518.3121367999998 518.3132667536838 572.6176169676053 434.2581287999999 C12H15F9N4O3 1 663.23 +15760 2739 M+IsoProp+Na+H 860429 271.164308 271.1654372520941 480.627322015445 187.1103 C5H5N3O5 1 585.93 +15761 4520 M+IsoProp+Na+H 410826 348.214968 348.2143917512543 867.6754514811018 264.16096 C13H14BrN 1 945.01 +15763 6789 M+IsoProp+Na+H 716639 455.1903880000001 455.18869857928473 559.4676581429535 371.1363800000001 C17H32OSn 0 576.09 +15764 6790 M+IsoProp+Na+H 716639 455.1903880000001 455.1899987987403 452.529480722404 371.1363800000001 C17H32OSn 0 576.09 +15765 6791 M+IsoProp+Na+H 716639 455.1903880000001 455.1913424832669 454.91962173527634 371.1363800000001 C17H32OSn 0 576.09 +15766 1028 M+IsoProp+Na+H 607462 184.169828 184.1696922583543 929.3809677286158 100.11582 C5H8O2 1 454.18 +15769 6521 M+IsoProp+Na+H 612807 442.86792799999995 442.8687813211883 1269.8001451130485 358.81391999999994 C17H23ClO6 1 664.64 +15770 7368 M+IsoProp+Na+H 511701 486.19531799999993 486.19647167004484 412.6380290637258 402.1413099999999 C13H11IN2O5 0 772.33 15772 2365 M+IsoProp+Na+H 557396 255.25102799999996 255.25088841005314 868.1497468778131 171.19701999999998 C7H13N3O2 1 382.23 +15775 7654 M+IsoProp+Na+H 690556 502.0658480000001 502.0634684743577 303.28943844457854 418.01184000000006 C25H36ClNO2 0 1177.98 +15780 2195 M+IsoProp+Na+H 123964 247.18750799999998 247.1884653724556 720.1746118773792 163.1335 C7H5N3O2 1 556.91 +15785 1984 M+IsoProp+Na+H 361759 236.201328 236.2008685627769 625.5252100636621 152.14732 C8H8O3 1 671.77 15791 3815 M+IsoProp+Na+H 204859 316.28598800000003 316.2845101850979 705.8230779767275 232.23198000000002 C13H12O4 1 673.57 15795 5766 M+IsoProp+Na+H 570079 407.25052900000003 407.2514232307374 638.4425891856029 323.196521 C9H14N3O8P 1 195.8 +15796 4586 M+IsoProp+Na+H 720010 351.250169 351.25060775742514 874.4825058879132 267.196161 C7H10NO6PS 1 264.69 15801 3002 M+IsoProp+Na+H 486365 283.26266799999996 283.2628737808391 891.472695261584 199.20865999999998 C11H9N3O 1 650.64 +15802 6272 M+IsoProp+Na+H 304398 430.3556975999999 430.3538648939448 1003.9049375516589 346.3016895999999 C15H17F3N2O4 0 671.94 15804 3932 M+IsoProp+Na+H 269929 321.24410900000004 321.24287537689577 670.7183970207242 237.19010100000003 C8H16NO5P 1 689.99 +15805 4630 M+IsoProp+Na+H 691006 353.415408 353.4142289021272 779.0288312586054 269.3614 C16H15NOS 1 790.91 +15806 3491 M+IsoProp+Na+H 735715 303.29052799999994 303.28935658000466 927.8299914120748 219.23651999999996 C12H13NO3 1 763.87 +15807 2129 M+IsoProp+Na+H 514410 244.13793899999996 244.1372558116003 349.2314903834791 160.08393099999998 C4H10NaO3P 1 469.14 15808 2660 M+IsoProp+Na+H 702326 268.1903376 268.1904099716535 674.218970019759 184.1363296 C5H3F3O2S 1 833.91 +15812 7844 M+IsoProp+Na+H 44701 513.8222879999998 513.8234311163245 771.0614990578405 429.7682799999999 C12H2Cl8 1 1249.46 +15815 3620 M+IsoProp+Na+H 211673 308.267288 308.26653107390206 675.3645800275098 224.21328000000003 C10H12N2O4 1 632.79 15816 5348 M+IsoProp+Na+H 51265 388.35524799999996 388.35442482254695 1079.928855075288 304.30123999999995 C14H16N4O4 1 641.96 15818 9191 M+IsoProp+Na+H 638410 610.3982679999999 610.3966884265205 786.884757554765 526.34426 C25H34Br2O2 0 929.01 15819 5244 M+IsoProp+Na+H 726177 384.146438 384.1471672562066 512.0584997323808 300.09243 C11H9IO2 1 992.5 15822 3656 M+IsoProp+Na+H 209231 309.29664799999995 309.29777967409 899.8555785431242 225.24263999999994 C14H11NO2 1 796.52 +15823 2856 M+IsoProp+Na+H 399643 276.268488 276.26844316327606 884.5639453556331 192.21447999999998 C10H12N2O2 1 699.2 15824 1927 M+IsoProp+Na+H 373981 233.13898899999998 233.13810084722422 496.69816065238524 149.084981 C4H8NO3P 1 588.75 +15825 2197 M+IsoProp+Na+H 124019 247.22726799999998 247.22680080990807 823.8362870861614 163.17326 C9H9NO2 1 637.37 +15829 3353 M+IsoProp+Na+H 727054 298.23777759999996 298.2372758892782 760.4617142954044 214.18376959999998 C11H9F3O 1 1058.91 +15830 6946 M+IsoProp+Na+H 546190 463.074438 463.07363587546047 260.0928073880374 379.02043 C13H9Cl2IO 0 1293.05 +15831 4371 M+IsoProp+Na+H 579476 341.1417912 341.1417620490148 532.5671808933693 257.0877832 C12H7Cl2FO 1 973.33 +15833 5009 M+IsoProp+Na+H 534271 371.298248 371.2976581645639 798.7263880187643 287.24424 C15H11O6- 1 701.16 15836 5854 M+IsoProp+Na+H 617525 412.15838799999995 412.16000328697885 532.169448284647 328.10437999999994 C13H7Cl2NO5 1 888.05 15838 5069 M+IsoProp+Na+H 316958 374.198068 374.19641779271603 684.179269678833 290.14405999999997 C15H9Cl2NO 0 1280.36 +15840 1482 M+IsoProp+Na+H 219863 210.16734799999998 210.16811855732186 635.7526331106961 126.11333999999998 C5H6N2O2 0 646.26 +15841 2811 M+IsoProp+Na+H 698905 275.087068 275.08800721490803 374.03559842757363 191.03306 C3H4Cl2O3S 1 762.38 +15847 3952 M+IsoProp+Na+H 579790 322.27059119999996 322.27142179480387 845.8319901856388 238.21658319999995 C14H7FN2O 1 774.35 +15849 4727 M+IsoProp+Na+H 169244 358.16672800000003 358.16815422828324 566.8194846747983 274.11272 C13H8BrNO 1 806.53 +15852 5152 M+IsoProp+Na+H 420421 378.35712799999993 378.3570343225038 944.2248335122989 294.3031199999999 C14H18N2O5 1 740.26 +15853 3382 M+IsoProp+Na+H 513018 299.25876800000003 299.2580543716901 893.8423291791003 215.20476000000002 C12H9NO3 1 503.93 15858 11863 M+IsoProp+Na+H 849809 926.8911479999999 926.8884138376462 331.3303089046995 842.83714 C45H46O16 0 1109.49 +15859 4977 M+IsoProp+Na+H 551016 370.168068 370.1690337575285 453.87794621538404 286.11406 C11H9Cl2N3O2 1 689.36 15860 2429 M+IsoProp+Na+H 530777 258.2283912 258.2296758299411 748.6985916909454 174.1743832 C10H7FN2 1 701.83 15861 7134 M+IsoProp+Na+H 517040 473.0495280000001 473.05098622706214 884.5147208011676 388.9955200000001 C19H33ClN2O2S 0 710.23 15862 4028 M+IsoProp+Na+H 610152 326.11066800000003 326.11049213050376 392.265545211788 242.05666000000002 C7H9Cl2NO4 1 845.42 +15863 5159 M+IsoProp+Na+H 592903 379.189248 379.18928241768396 237.7778860084983 295.13524 C11H11BrN4O 1 714.54 15864 5201 M+IsoProp+Na+H 435103 382.130558 382.1319274015709 565.6703864938374 298.07655 C11H7IO2 1 859.67 15865 2259 M+IsoProp+Na+H 9760 250.20926899999995 250.20920888632205 679.7854119513215 166.15526099999997 C6H15O3P 1 764.9 +15866 5360 M+IsoProp+Na+H 135625 389.2160080000001 389.2170149750807 504.7193623557926 305.1620000000001 C14H10Cl2N4 1 983.14 +15867 4055 M+IsoProp+Na+H 332812 327.108088 327.10691233816783 441.04454671287954 243.05408000000003 C9H7BrO3 1 769.99 +15868 3129 M+IsoProp+Na+H 203918 288.1998976 288.200843419198 673.8143683423029 204.14588959999998 C9H7F3O2 1 761.98 +15869 5189 M+IsoProp+Na+H 586092 381.18740799999995 381.18716987989444 347.0191368006454 297.13339999999994 C14H10Cl2O3 0 1041.24 +15870 4436 M+IsoProp+Na+H 289581 344.189789 344.18911969511345 605.8792595419962 260.135781 C6H13O9P 1 243.93 15871 3814 M+IsoProp+Na+H 265761 316.24952799999994 316.2484075258055 632.4985992734071 232.19551999999996 C10H8N4O3 1 588.52 15875 3656 M+IsoProp+Na+H 263634 309.296648 309.29777967409 899.8555785431242 225.24264 C14H11NO2 1 756.79 +15876 4079 M+IsoProp+Na+H 701828 328.081638 328.08132067060075 751.2643578344328 244.02763000000002 C5H9IO3 0 608.09 +15877 2178 M+IsoProp+Na+H 301999 246.242508 246.2426702025712 968.8905140611339 162.1885 C9H10N2O 1 453.34 15879 3085 M+IsoProp+Na+H 507163 286.309668 286.31005607437936 847.3170559006068 202.25565999999998 C11H14N4 1 103.96 15880 7803 M+IsoProp+Na+H 476289 511.25364800000017 511.2511618660725 385.74069173278735 427.19964000000016 C20H36O2Sn 1 604.67 15881 7804 M+IsoProp+Na+H 476289 511.25364800000017 511.25270873038846 618.0512599431843 427.19964000000016 C20H36O2Sn 1 604.67 15882 3905 M+IsoProp+Na+H 855613 320.230088 320.23002356237913 670.9677246544445 236.17608 C8H12O8 1 580.4 +15883 3352 M+IsoProp+Na+H 339761 298.209009 298.20922855159625 592.4639843403654 214.155001 C9H11O4P 1 740.58 +15887 2945 M+IsoProp+Na+H 83656 281.150668 281.1498489504319 451.55944745573936 197.09665999999999 C4H9BrN2S 1 108.8 +15888 4628 M+IsoProp+Na+H 701363 353.3243911999999 353.32375265819417 884.5706710482588 269.2703831999999 C16H12FNO2 1 830.38 +15889 6263 M+IsoProp+Na+H 106828 430.2613279999999 430.2616364639475 619.0706431334157 346.20731999999987 C18H13Cl2NO2 1 1174.27 15890 4332 M+IsoProp+Na+H 537351 339.20820799999996 339.2074470142673 822.4541724990602 255.15419999999997 C11H15BrN2 1 811.63 +15891 5858 M+IsoProp+Na+H 489950 412.20289800000006 412.2049203254371 593.0663588959217 328.14889000000005 C12H13IN2O 1 678.74 +15892 5832 M+IsoProp+Na+H 386717 411.15322899999995 411.1512983922031 327.11506503114276 327.09922099999994 C14H9Cl2O3P 1 1175.71 15893 5053 M+IsoProp+Na+H 40326 373.2756090000001 373.2738536681839 696.8929751432281 289.2216010000001 C11H16NO6P 1 808.82 +15894 762 M+IsoProp+Na+H 299339 170.100188 170.10056801288565 238.38309059465413 86.04617999999999 C3H2O3 0 537.37 +15899 2739 M+IsoProp+Na+H 550258 271.164648 271.1654372520941 480.627322015445 187.11064 C6H16Cl2N2 1 126.27 15901 611 M+2ACN+2H 143444 161.132396 161.13270930401683 568.9810797215462 238.19714 C11H21Cl2N 1 857.55 15902 3492 M+2ACN+2H 544545 303.30914699999994 303.30825899495153 784.4105632171087 522.5506419999999 C20H48N2O9P2 1 638.8 +15907 877 M+2ACN+2H 325928 177.07353600000002 177.07411939769085 403.4664818021784 270.07942 C10H8BrNO3 0 762.92 +15910 582 M+2ACN+2H 686326 159.15698600000002 159.1573044131144 219.01222073716391 234.24632000000003 C10H18O6 1 569.59 +15912 2073 M+2ACN+2H 59810 241.15488599999995 241.15482254963496 296.27248268322194 398.2421199999999 C20H13Cl2N3O2 1 927.3 +15914 1460 M+2ACN+2H 363019 209.100601 209.10030229919332 396.9970804974061 334.13355 C9H7IN2O2S 1 860.23 +15917 2251 M+2ACN+2H 669000 250.14385600000006 250.14370060044374 456.94659658542287 416.2200600000001 C19H39NOSn 1 596.9 +15918 2107 M+2ACN+2H 511701 243.10448099999996 243.10501810829626 470.44293901514135 402.1413099999999 C13H11IN2O5 0 772.33 15919 1608 M+2ACN+2H 671367 217.19625599999995 217.19527811877344 692.9425097154417 350.3248599999999 C19H14N2O5 1 892.06 15924 1346 M+2ACN+2H 67155 203.042486 203.04297703781901 763.7244677076883 322.01732 C12H8Cl4N2 0 910.53 +15927 953 M+2ACN+2H 207219 180.16919650000003 180.16979832733028 303.0566291890636 276.27074100000004 C14H17N2O2P 1 615.74 15928 1014 M+2ACN+2H 251412 183.63519079999998 183.63590347589894 535.6646157056596 283.20272959999994 C13H8F3NO3 1 791.68 +15929 2312 M+2ACN+2H 383357 253.08910599999996 253.0900976904701 364.9386691967868 422.1105599999999 C18H14Br2O2 1 1211.84 +15930 3058 M+2ACN+2H 849582 285.27936599999987 285.278661348538 858.2273215597492 486.4910799999997 C24H22O9S 1 1000.69 15932 8267 M+2ACN+2H 295688 539.3577760000006 539.3566595379684 615.0804007283516 994.6479000000013 C54H105NdO6 1 935.16 +15935 5715 M+2ACN+2H 850197 404.36454599999996 404.3630892326235 857.988166135078 724.66144 C36H36O16 1 487.65 +15936 1067 M+2ACN+2H 607062 186.18562599999998 186.1853285024695 755.3691720385248 288.30359999999996 C10H20N6O4 1 45.26 +15940 1920 M+2ACN+2H 65118 233.0810283999999 233.08078928105226 471.20609116355354 382.0944047999998 C8H4F14O 0 866.44 +15944 6178 M+2ACN+2H 259708 427.15874600000006 427.15753408521107 363.6986631404299 770.2498400000002 C39H36ClN5O8S 1 1053.21 15948 3052 M+2ACN+2H 194684 285.206521 285.20625707703635 1114.1408790130145 486.34539 C23H23IN2O2 1 890.96 +15950 6521 M+2ACN+2H 864075 442.8709260000001 442.8687813211883 1269.8001451130485 801.6742000000003 C46H30Cl2N6O4 1 1694.87 15961 281 M+2ACN+2H 553532 138.110456 138.11086461478664 243.7411518781637 192.15326000000002 C3H4N4O4S 1 565.91 15962 1337 M+2ACN+2H 533304 202.1301165 202.13097269980523 565.626525440715 320.192581 C10H13N2O8P-- 1 534.37 15963 1611 M+2ACN+2H 98746 218.04341599999995 218.04371852941745 1264.2293694699956 352.0191799999999 C11H12Br2O3 1 1078.68 +15964 5255 M+K+HCOOH 572860 384.2354176 384.23727206186993 512.5121537464348 299.2667896 C10H12F3NO4S 1 990 15965 2683 M+K+HCOOH 571846 269.1760512000001 269.1748864225014 504.6789818056872 184.20742320000005 C10H13FO2 1 802.82 +15968 4540 M+K+HCOOH 179090 349.21107759999984 349.21229676044845 439.01642197213107 264.2424495999999 C15H11F3O 0 1001.01 +15970 4115 M+K+HCOOH 239497 329.214608 329.2150962154558 444.7541593512129 244.24597999999997 C13H12N2O3 1 646.9 +15971 3741 M+K+HCOOH 201995 313.211908 313.2124680617669 663.9852814978968 228.24328 C14H12O3 1 875.85 +15972 4356 M+K+HCOOH 641851 340.240548 340.23955568002674 599.9788961906756 255.27192 C14H13N3O2 1 608.78 15973 4255 M+K+HCOOH 705243 335.21588799999995 335.2153780669127 419.3531798255338 250.24725999999998 C13H14O5 1 764.56 15976 4444 M+K+HCOOH 53583 344.315508 344.31540077827043 875.2712181239808 259.34688 C6H17N3O4S2 1 139.92 15977 3161 M+K+HCOOH 412758 289.22024799999997 289.2205270543243 523.3627083484768 204.25161999999997 C9H8N4S 1 365.5 15978 4179 M+K+HCOOH 535672 332.19043120000003 332.1888030943922 578.396478579396 247.2218032 C13H10FNO3 1 745.95 15981 2658 M+K+HCOOH 251276 268.17458799999997 268.1755577049492 401.4391637425784 183.20596 C12H9NO 1 892.67 +15986 4135 M+K+HCOOH 522937 330.1745512 330.1730575990739 461.16781366691396 245.20592319999997 C13H8FNO3 1 780.35 +15987 5341 M+K+HCOOH 174367 388.261888 388.2632335506354 890.0156390820043 303.29326 C13H9N3O4S 1 648.68 15988 2145 M+K+HCOOH 35515 245.081089 245.0807550629293 467.6599593824671 160.112461 C8H5N2P 0 726.48 +15990 6680 M+K+HCOOH 263773 449.3582879999999 449.3600769295344 1008.7106579215189 364.3896599999999 C19H24O7 1 601.97 15993 6592 M+K+HCOOH 169178 446.213389 446.21432402257176 290.0853821866383 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +16004 4657 M+K+HCOOH 325928 355.048048 355.04753889911717 451.686903207981 270.07942 C10H8BrNO3 1 762.92 +16009 4927 M+K+HCOOH 124770 367.323948 367.3241806124694 858.5478785705199 282.35532 C14H18O4S 1 825.61 +16010 1717 M+K+HCOOH 47679 224.077428 224.0780162385639 317.633373579928 139.1088 C6H5NO3 1 548.01 +16011 1718 M+K+HCOOH 47679 224.077428 224.0784278031693 740.7467699833481 139.1088 C6H5NO3 1 548.01 +16015 4022 M+K+HCOOH 692700 325.247508 325.2482814238154 469.0278225983089 240.27888 C10H12N2O3S 1 683.82 +16016 3814 M+K+HCOOH 569774 316.24976333399997 316.2484075258055 632.4985992734071 231.28113533399997 C13H14D3NaO2 1 932.66 +16017 1624 M+K+HCOOH 144105 218.139088 218.1388590875944 342.45098254711934 133.17046 C8H9N2+ 1 678.89 +16018 4470 M+K+HCOOH 289896 346.05458899999996 346.0540823086834 193.8123160540004 261.085961 C7H15Cl2N2O2P 1 668.27 +16019 3644 M+K+HCOOH 666238 309.157148 309.15569631455907 265.8524208570865 224.18852 C6H8O7S 1 467.64 16027 4970 M+K+HCOOH 738018 369.382888 369.3838656051831 950.8926078943247 284.41426 C15H24O3S 1 1160.87 16028 2942 M+K+HCOOH 307448 281.128748 281.12818279139594 422.36194528409646 196.16012 C8H8N2O4 1 523.5 +16031 2785 M+K+HCOOH 699749 273.216008 273.2172363491564 497.7078400614246 188.24738 C7H12N2O2S 1 850.59 +16033 2493 M+K+HCOOH 408451 261.226768 261.22553315635423 596.2810640499068 176.25813999999997 C11H16N2 1 395.98 +16036 1930 M+K+HCOOH 251072 233.17360799999997 233.17451558801167 567.1359939288467 148.20497999999998 C9H12N2 1 415.49 16040 4289 M+K+HCOOH 622530 337.148948 337.1495096751316 372.649942713436 252.18032 C10H8N2O6 1 44.76 16041 2315 M+K+HCOOH 108390 253.118648 253.118278740741 314.0978741068655 168.15002 C7H8N2O3 1 547.94 +16042 7216 M+K+HCOOH 692072 477.3120079999999 477.30982953751 559.3431711068281 392.34337999999985 C15H12N4O7S 1 624.86 16045 4207 M+K+HCOOH 32873 333.24636799999996 333.2461264388446 496.6369054859971 248.27773999999997 C13H16N2O3 1 564.73 16046 4497 M+K+HCOOH 123163 347.19012799999996 347.1886394990527 518.8120112522712 262.22149999999993 C11H10N4O4 1 559.28 +16049 1809 M+K+HCOOH 407523 228.109188 228.11004102236356 211.38468608235462 143.14056 C6H9NO3 1 128.72 16051 5992 M+K+HCOOH 97481 418.189848 418.1887636520784 513.9422739434106 333.22121999999996 C20H13Br 1 1098.8 +16052 5993 M+K+HCOOH 97481 418.189848 418.191221615176 184.3560461750893 333.22121999999996 C20H13Br 0 1098.8 +16055 5858 M+K+HCOOH 705447 412.2053279999999 412.2049203254371 593.0663588959217 327.2366999999999 C14H15BrO2S 1 1216.11 16058 5038 M+K+HCOOH 196682 373.11188719999996 373.1124579981279 348.93948103338755 288.14325919999993 C10H6F6O3 1 844.76 +16060 7060 M+K+HCOOH 169949 468.390669 468.3887765090857 1045.015031833036 383.42204100000004 C25H22NOP 1 942.42 16061 3884 M+K+HCOOH 382686 319.26438799999994 319.26284696487085 718.8456440961542 234.29575999999997 C16H14N2 1 761.56 16062 3875 M+K+HCOOH 382365 319.176728 319.1761477659676 500.36275575257173 234.2081 C11H10N2O4 1 666.46 16068 7077 M+K+HCOOH 44128 469.39274799999987 469.3915539451469 880.2826028725918 384.4241199999999 C18H28N2O7 1 614.58 16072 4029 M+K+HCOOH 660217 326.12334799999996 326.1235328706995 468.83669600018857 241.15472 C10H18Cl2O2 1 1139.89 16073 2658 M+K+HCOOH 29662 268.17458799999997 268.1755577049492 401.4391637425784 183.20595999999998 C12H9NO 1 743.2 16074 5240 M+K+HCOOH 35198 383.30658800000003 383.3081956128501 882.5977954166328 298.33796 C20H14N2O 1 870.21 +16075 2377 M+K+HCOOH 557396 256.165648 256.16559672621423 237.73764200490953 171.19701999999998 C7H13N3O2 0 382.23 +16076 3615 M+K+HCOOH 444087 308.195388 308.19476474591164 471.34683250302226 223.22675999999998 C14H9NO2 1 752.04 +16077 2681 M+K+HCOOH 102116 269.15780800000005 269.15656400660936 425.85610521994874 184.18918000000002 C9H12O4 1 703.51 16078 3123 M+K+HCOOH 388398 288.16928799999994 288.169005499712 588.3920252595419 203.20065999999997 C9H9N5O 1 616.14 +16079 3623 M+K+HCOOH 715562 308.67058799999995 308.6714766375025 521.6079853247154 223.70195999999999 C11H14ClN3 1 111.44 16080 1832 M+K+HCOOH 31252 229.09724799999998 229.0970486631513 1238.247059897309 144.12861999999998 C5H8N2O3 0 608.9 +16081 1833 M+K+HCOOH 31252 229.09724799999998 229.09714870852554 516.061482361544 144.12861999999998 C5H8N2O3 0 608.9 16082 3426 M+K+HCOOH 728317 301.1419208 301.1408595825833 779.622917277751 216.1732928 C8H12F4O2 0 774.47 +16085 6499 M+K+HCOOH 139519 441.359428 441.36061930478996 827.8929881658235 356.39079999999996 C16H20O7S 1 923.44 +16086 2537 M+K+HCOOH 354654 263.19958799999995 263.20058405351074 664.4684595021045 178.23095999999998 C10H14N2O 1 260.19 +16090 5373 M+K+HCOOH 123903 389.3559879999999 389.3578658182902 1005.3499717648498 304.38735999999994 C16H24N4O2 1 614.22 +16091 4383 M+K+HCOOH 290998 341.25020799999993 341.2512808858155 649.4784850230042 256.28157999999996 C9H12N4O3S 1 697.53 +16092 6882 M+K+HCOOH 868234 458.3270479999999 458.3259678112555 864.1057938519791 373.35841999999985 C15H23N3O8 1 566.1 16097 2763 M+K+HCOOH 246584 272.204808 272.20478347364497 349.29012225060177 187.23618000000002 C9H17NO3 1 647.27 +16098 3915 M+K+HCOOH 508498 321.132449 321.13193359074126 605.8230562666649 236.163821 C10H9N2O3P 1 476.37 +16099 3743 M+K+HCOOH 110789 313.236808 313.2370155937335 655.3386216817407 228.26818 C9H12N2O3S 1 454.09 +16108 5781 M+K+HCOOH 210436 408.31120799999985 408.3100092958208 673.7902641387295 323.3425799999999 C19H17NO4 1 827.77 +16109 2214 M+K+HCOOH 13198 248.184948 248.1856149511282 517.2873219235848 163.21632 C10H13NO 1 690.12 +16110 2660 M+K+HCOOH 255736 268.1912912 268.1904099716535 674.218970019759 183.22266320000003 C10H14FNO 1 649.05 +16113 4563 M+K+HCOOH 113085 350.2735879999999 350.27312516899235 220.47133920161895 265.30495999999994 C14H19NO4 1 181.98 +16114 6190 M+K+HCOOH 443498 427.2666479999999 427.2653556448603 658.1158196858996 342.2980199999999 C15H18O9 1 761.92 +16115 6191 M+K+HCOOH 443498 427.2666479999999 427.26772856548564 621.9666344437991 342.2980199999999 C15H18O9 1 761.92 16117 5425 M+K+HCOOH 99755 391.2839879999999 391.28256436837364 739.2596208531729 306.31535999999994 C18H14N2O3 1 890.99 16119 5427 M+K+HCOOH 99755 391.2839879999999 391.2846444615969 907.4651883300597 306.31535999999994 C18H14N2O3 1 890.99 +16122 3817 M+K+HCOOH 359010 317.07836799999995 317.07943807477284 249.1966871137182 232.10974 C9H11Cl2N3 1 560.83 16126 2233 M+K+HCOOH 670813 249.16970800000001 249.1693813437799 454.70083878003703 164.20108000000002 C10H12O2 1 828.15 16127 6531 M+K+HCOOH 861953 443.22452799999985 443.2266797184944 621.5094568924529 358.2558999999999 C17H10O9 1 647.21 +16128 3380 M+K+HCOOH 385402 299.23168799999996 299.23205206002183 310.81992230331355 214.26305999999997 C13H14N2O 1 817.44 16129 3122 M+K+HCOOH 95846 288.162688 288.16327847450566 398.5281918691439 203.19405999999998 C11H9NO3 1 652.51 16130 10618 M+K+HCOOH 568198 763.5139480000001 763.51708733498 995.5407430434431 678.5453200000002 C24H38O22 0 58.79 +16131 12235 M+K+HCOOH 258375 987.9735880000004 987.9711612728399 389.15205024701424 903.0049600000004 C46H54N4O13S 1 999.63 16132 4905 M+K+HCOOH 235758 366.32102799999996 366.3212342070809 856.7266501181687 281.3524 C8H15N3O4S2 1 499.69 +16135 3933 M+K+HCOOH 682039 321.258808 321.2590045401033 782.4866390421078 236.29018 C11H12N2O2S 1 746.26 +16136 3158 M+K+HCOOH 615851 289.190508 289.19099379384295 595.3692899884211 204.22188 C12H12O3 1 768.12 +16137 10386 M+K+HCOOH 735719 735.6724480000001 735.6749940794869 321.36816843130316 650.7038200000002 C27H38N8O9S 1 617.01 16138 4957 M+K+HCOOH 274612 369.18904799999996 369.19062273131897 514.600689885867 284.22041999999993 C15H8O6 0 784.78 +16142 5368 M+K+HCOOH 533128 389.2665679999999 389.26715840351784 890.5576488727869 304.2979399999999 C15H16N2O5 1 643.14 16143 5369 M+K+HCOOH 533128 389.2665679999999 389.2681875309729 737.9755864550655 304.2979399999999 C15H16N2O5 1 643.14 +16144 4905 M+K+HCOOH 235761 366.32088799999985 366.3212342070809 856.7266501181687 281.3522599999999 C17H19N3O 1 726.73 +16147 5151 M+K+HCOOH 179066 378.32828799999993 378.3298753012022 898.8781110209064 293.3596599999999 C19H19NO2 1 915.67 16148 6761 M+K+HCOOH 331779 453.396428 453.396909061703 915.2156992508295 368.42780000000005 C24H20N2O2 1 1002.09 +16149 3542 M+K+HCOOH 734480 305.232968 305.2321672220071 569.1717007763395 220.26434 C13H16O3 1 769.89 +16150 6193 M+K+HCOOH 262906 427.2864311999998 427.2843174499716 703.367692926006 342.31780319999984 C19H15FO5 1 1113.14 16153 1530 M+K+HCOOH 617179 213.140908 213.14179220897245 1196.755476334467 128.17228 C6H12N2O 1 130.66 +16154 3203 M+K+HCOOH 218562 291.232828 291.2316722558007 714.3976314515568 206.2642 C10H10N2OS 1 578.83 +16155 5730 M+K+HCOOH 512949 405.26434800000004 405.26368537503697 673.0239771376225 320.29572 C10H8O8S2 1 523.92 16156 5731 M+K+HCOOH 512949 405.26434800000004 405.265876112841 577.5196280393286 320.29572 C10H8O8S2 1 523.92 16157 4420 M+K+HCOOH 227626 343.21307119999994 343.2117426728432 550.9476917172278 258.2444431999999 C15H11FO3 1 928.94 +16159 5179 M+K+HCOOH 126374 380.26464799999985 380.2645669751132 780.4872759753758 295.2960199999999 C15H13N5O2 1 553.15 16160 4927 M+K+HCOOH 368936 367.32548799999995 367.3241806124694 858.5478785705199 282.35686 C17H14O2S 1 911.77 +16162 3765 M+K+HCOOH 579751 314.223108 314.2224352178157 555.3332665938319 229.25448 C12H7NO2S 1 699.26 16164 1639 M+K+HCOOH 287460 219.10396799999998 219.1050247340982 443.7811036334622 134.13533999999999 C7H6N2O 1 502.48 16173 4866 M+K+HCOOH 106089 364.3067679999999 364.3054958495055 879.8054005630437 279.33813999999995 C13H21N5O2 1 545.53 16174 4822 M+K+HCOOH 862911 362.2478279999999 362.2474371156107 857.7577406009075 277.27919999999995 C12H15N5O3 1 445.3 +16178 1841 M+K+HCOOH 4971 229.18006799999998 229.17993706538627 839.355806278769 144.21143999999998 C8H16O2 1 815.11 +16179 4439 M+K+HCOOH 579501 344.24419119999993 344.2433078224958 509.2317968729878 259.27556319999997 C15H14FNO2 1 770.85 +16180 3102 M+K+HCOOH 342232 287.19768899999997 287.1966653704695 788.8152226329611 202.22906099999997 C2H5K2O4P 1 272.62 +16181 6476 M+K+HCOOH 718181 440.35790800000007 440.3582120312267 830.9368583300135 355.38928000000004 C22H17N3O2 1 897.45 +16182 6876 M+K+HCOOH 518752 458.2656479999998 458.2640867755294 529.8544849812247 373.29701999999986 C16H13N4O7+ 0 624.86 16183 8737 M+K+HCOOH 849582 571.4597079999998 571.4601793691143 1010.1794618536479 486.4910799999997 C24H22O9S 1 1000.69 16185 2871 M+K+HCOOH 399643 277.18310799999995 277.18401448194464 352.86182360530086 192.21447999999998 C10H12N2O2 1 699.2 +16187 3204 M+K+HCOOH 516912 291.252748 291.25284825941696 781.4748534084662 206.28412 C12H18N2O 1 113.92 +16188 2951 M+K+HCOOH 396508 281.211568 281.21120354549936 618.2043153695788 196.24294 C11H16O3 1 864.84 16191 2331 M+K+HCOOH 126699 254.103408 254.102328329503 366.1806117986054 169.13478 C7H7NO4 1 661.04 +16194 1316 M+K+HCOOH 7781 201.126908 201.12746372273585 536.1512971935608 116.15827999999999 C6H12O2 1 721.88 16196 4115 M+K+HCOOH 116846 329.21460799999994 329.2150962154558 444.7541593512129 244.24597999999995 C13H12N2O3 1 658.58 +16197 7363 M+K+HCOOH 76892 485.34735439999986 485.34837920444727 714.9358199259347 400.3787263999999 C20H18F2N4O3 1 673.81 +16201 2294 M+K+HCOOH 233925 252.130588 252.131100784728 617.8247283702088 167.16196 C8H9NO3 1 579.83 16202 5693 M+K+HCOOH 220490 403.31958799999984 403.31981328196247 740.7154023720442 318.3509599999999 C14H14N4O3S 1 613.76 +16203 5694 M+K+HCOOH 220490 403.31958799999984 403.3208919282922 749.3613816479217 318.3509599999999 C14H14N4O3S 1 613.76 +16204 3696 M+K+HCOOH 298033 311.239088 311.2405723509607 1010.2732571057821 226.27045999999999 C15H14O2 1 943.79 +16205 2233 M+K+HCOOH 177585 249.16970800000001 249.1693813437799 454.70083878003703 164.20108000000002 C10H12O2 1 761.42 +16206 4231 M+K+HCOOH 724475 334.23596799999996 334.23690818184235 633.0788046302234 249.26734 C15H11N3O 1 797.52 +16208 4719 M+K+HCOOH 30657 357.247848 357.24668917033665 570.3448569191011 272.27922 C13H8N2O3S 1 867.49 +16211 1491 M+K+HCOOH 219863 211.08196799999996 211.08280228788885 289.38022388960246 126.11333999999998 C5H6N2O2 1 646.26 16212 7608 M+K+HCOOH 118697 499.21535359999973 499.2149735903257 577.1401743378003 414.24672559999976 C17H10F8O3 1 1262.75 16216 2857 M+K+HCOOH 395178 277.05754079999997 277.0566950549269 249.8789021512392 192.0889128 C3F4O3S 1 761.21 +16217 6538 M+K+HCOOH 183037 443.30415759999994 443.303074916064 1036.7598285684944 358.3355295999999 C15H13F3N2O3S 1 927.92 +16218 4572 M+K+HCOOH 138184 351.09128799999996 351.089888816836 371.28640709466754 266.12266 C13H9Cl2NO 1 949.53 16222 6852 M+K+HCOOH 225490 457.3011080000001 457.3006722729899 188.49403362607643 372.3324800000001 C18H27Cl2N3O 1 598.02 16230 4179 M+K+HCOOH 578120 332.1904312 332.1888030943922 578.396478579396 247.22180319999998 C13H10FNO3 1 708.11 +16231 2397 M+K+HCOOH 304907 257.112188 257.11321250718044 216.63969465370545 172.14356 C8H4N4O 1 677.56 +16233 3621 M+K+HCOOH 546950 308.27996800000005 308.27942630053616 825.9409864954948 223.31134000000003 C13H21NO2 1 375.86 16235 7939 M+K+HCOOH 543468 518.404028 518.4035397019279 984.1719162924019 433.4354 C20H30Cl2N2O2S 0 845.81 16236 4863 M+K+HCOOH 54030 364.2586479999999 364.25949455867215 545.9683604426275 279.2900199999999 C17H13NO3 1 760.18 16237 5425 M+K+HCOOH 221782 391.28244799999993 391.28256436837364 739.2596208531729 306.3138199999999 C15H18N2O5 1 737.86 +16238 5426 M+K+HCOOH 221782 391.28244799999993 391.28360264381064 759.6736885482671 306.3138199999999 C15H18N2O5 1 737.86 +16239 1903 M+K+HCOOH 437704 232.099428 232.10028716645394 411.9370836437563 147.1308 C8H5NO2 1 690.78 +16241 3077 M+K+HCOOH 414654 286.193168 286.1918853506461 414.6733969999725 201.22454 C11H11N3O 1 556.55 16242 5868 M+K+HCOOH 438849 412.323628 412.323988550925 1005.9202001602439 327.355 C10H20Cl2N2O2Si2 1 1131.78 16243 2351 M+K+HCOOH 207056 255.10641120000003 255.10547901732946 404.7661186958999 170.13778320000003 C8H7FO3 1 682.6 16246 2641 M+K+HCOOH 720359 267.22804800000006 267.2288887475244 1034.1540745164805 182.25942000000003 C11H18O2 1 1145.1 +16252 6957 M+K+HCOOH 385846 463.230468 463.2321352567093 674.5964363736592 378.26184 C21H16BrNO 1 1031.83 +16253 2075 M+K+HCOOH 370334 241.190768 241.1907549149854 326.34546384346675 156.22214 C9H16O2 1 888.82 +16254 2122 M+K+HCOOH 657003 244.09148899999997 244.09116983296613 485.75397158975755 159.12286099999997 C6H10NO2P 1 665.09 16257 4030 M+K+HCOOH 588670 326.13313760000005 326.13151415835563 520.2721872621604 241.16450960000003 C8H10F3NO4 1 604.55 16258 2841 M+K+HCOOH 381070 276.138189 276.13771151020336 752.6078775927424 191.169561 C9H10N3P 0 706.84 16259 2503 M+K+HCOOH 46834 262.12870799999996 262.1287405953489 357.1628079885329 177.16008 C8H7N3O2 1 466.94 16260 3201 M+K+HCOOH 40174 291.211228 291.21027712768995 940.4736660738066 206.24259999999998 C14H10N2 1 916.4 16261 3170 M+K+HCOOH 245012 290.142108 290.14194576893874 434.6483553722878 205.17347999999998 C8H7N5O2 1 555.39 16262 2482 M+K+HCOOH 688828 261.14394799999997 261.1446135397532 337.91259847165117 176.17531999999997 C8H8N4O 1 324.3 +16263 2716 M+K+HCOOH 649517 270.193768 270.19266478177576 367.67128370155484 185.22514 C11H11N3 1 78.04 +16265 2905 M+K+HCOOH 339715 279.195688 279.19534784508363 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750.98 +16306 1903 M+K+HCOOH 251673 232.099428 232.10028716645394 411.9370836437563 147.1308 C8H5NO2 1 633.94 16307 4139 M+K+HCOOH 121211 330.21761119999996 330.2179136497974 472.4525283066515 245.24898319999994 C14H12FNO2 1 821.87 +16308 7916 M+K+HCOOH 433330 517.3907279999996 517.3913393023985 1013.8522522431632 432.42209999999966 C25H20O7 1 884.86 +16311 3859 M+K+HCOOH 113758 318.276328 318.27649994566457 931.7867049784011 233.30769999999998 C17H15N 1 1083.85 +16318 7593 M+K+HCOOH 661077 498.2172479999998 498.21813953776916 601.8152176839401 413.24861999999985 C19H18Cl2O6 0 880.83 +16320 5968 M+K+HCOOH 287500 417.225148 417.22418612646385 688.5345188185596 332.25651999999997 C13H18BrNO2S 1 992.95 +16323 5905 M+H+CF3COOH 572860 414.2669276 414.26890097425536 954.6015024038592 299.2667896 C10H12F3NO4S 1 990 16326 3650 M+H+CF3COOH 684338 309.225658 309.2267480447634 545.9756472832322 194.22552 C8H18O5 1 656.64 16327 6672 M+H+CF3COOH 98329 449.238278 449.2373908114716 496.75519884473783 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452.3842822109314 233.22663999999997 C10H11N5O2 0 675.64 +16387 3742 M+H+CF3COOH 383684 313.220738 313.22005513648946 529.5391068175641 198.22059999999996 C12H10N2O 1 680.4 16388 4915 M+H+CF3COOH 622530 367.180458 367.1787347824864 486.1685487730533 252.18032 C10H8N2O6 0 44.76 +16389 6317 M+H+CF3COOH 502032 432.3117812 432.3096570258115 595.2405659483645 317.3116432 C17H16FNO4 1 801.62 +16390 6318 M+H+CF3COOH 502032 432.3117812 432.31086624501137 697.1573836455761 317.3116432 C17H16FNO4 1 801.62 +16396 4333 M+H+CF3COOH 230852 339.21495799999997 339.2160422564227 673.6119984848003 224.21481999999997 C13H8N2O2 1 596.14 +16397 3572 M+H+CF3COOH 43794 306.228238 306.2273604968853 547.5095333043779 191.22809999999998 C5H5NO3S2 1 605.63 16398 3159 M+H+CF3COOH 666765 289.199338 289.2004874254903 563.3691168421612 174.1992 C10H10N2O 0 616.16 +16404 5157 M+H+CF3COOH 410826 379.161098 379.1592327667719 426.0154579311971 264.16096 C13H14BrN 1 945.01 +16405 4574 M+H+CF3COOH 203915 351.14482760000004 351.144040056778 572.2371575644804 236.14468960000002 C9H7F3O4 1 818.01 16406 3648 M+H+CF3COOH 239668 309.20727800000003 309.20577001875677 598.0859885763889 194.20714 C9H6O3S 1 723.85 +16410 9701 M+H+CF3COOH 307683 655.6031179999999 655.6054465023225 1132.417946588881 540.6029799999999 C33H32O7 1 813.4 +16413 3967 M+H+CF3COOH 625541 323.167658 323.1686708942455 454.41173886540747 208.16752 C10H8O5 1 659.59 +16415 9603 M+H+CF3COOH 588015 644.4897380000001 644.4924902771211 883.1590572203116 529.4896000000001 C20H35NO15 1 570.91 +16419 7905 M+H+CF3COOH 511701 517.141448 517.1434898297757 307.7962849638798 402.1413099999999 C13H11IN2O5 0 772.33 16420 2253 M+H+CF3COOH 621195 250.163298 250.16445701546013 486.92626665526035 135.16315999999998 C8H9NO 1 263.02 16421 6128 M+H+CF3COOH 172861 424.36249799999996 424.36267518268045 890.2557677856005 309.36235999999997 C18H19N3O2 1 841.43 +16423 2930 M+H+CF3COOH 233054 280.253938 280.2541808231854 774.5601203476713 165.25379999999998 C6H15NO2S 1 707.85 +16426 2442 M+H+CF3COOH 31252 259.128758 259.1284328798682 257.5933528263988 144.12861999999998 C5H8N2O3 1 608.9 +16428 2734 M+H+CF3COOH 295725 271.136158 271.1367808040046 482.43195390849735 156.13602 C7H8O4 1 417.87 16434 10607 M+H+CF3COOH 672003 762.8486780000004 762.8522164242913 320.94372639161696 647.8485400000004 C47H41N3 0 1480.75 16435 7331 M+H+CF3COOH 220064 483.4048812000001 483.40715339029475 899.2669870846893 368.4047432000001 C20H21FN4O2 1 617.92 +16436 6360 M+H+CF3COOH 403086 434.3358579999999 434.33469421563404 998.4741811235991 319.3357199999999 C14H13N3O4S 1 666.8 +16437 4499 M+H+CF3COOH 438246 347.19918759999996 347.19949481401204 393.7851947925467 232.19904959999997 C11H11F3O2 1 886.89 +16438 6760 M+H+CF3COOH 593320 453.36748759999995 453.368406837512 797.0019985529243 338.36734959999995 C18H21F3N2O 1 838.69 16441 5631 M+H+CF3COOH 564971 401.14515800000004 401.143957518969 419.2354053579574 286.14502000000005 C10H8BrNO2S 1 1077.92 16442 4577 M+H+CF3COOH 508498 351.16395900000003 351.1649358615761 439.341515962247 236.163821 C10H9N2O3P 1 476.37 +16447 3222 M+H+CF3COOH 536525 292.19997800000004 292.19861615062683 649.5370303438792 177.19984000000002 C10H11NO2 1 739.05 16448 4425 M+H+CF3COOH 110789 343.268318 343.2672647889252 698.7259187656987 228.26818 C9H12N2O3S 1 454.09 16449 4530 M+H+CF3COOH 171542 348.309598 348.3106174563931 901.2429626240344 233.30946 C13H19N3O 1 614.7 16450 3051 M+H+CF3COOH 280637 285.20733800000005 285.2059805773579 595.7383943835613 170.20720000000003 C12H10O 1 904.2 16452 4948 M+H+CF3COOH 617576 369.08015800000004 369.0814627703457 328.04065484872507 254.08002000000002 C10H8BrNO2 0 670.55 16461 3898 M+H+CF3COOH 669589 320.1885612 320.18804133255435 669.8255113336505 205.1884232 C10H8FN3O 1 651.86 +16463 4882 M+H+CF3COOH 185823 365.21600759999995 365.2168423187253 463.0464370248055 250.21586959999993 C14H9F3O 1 953.98 +16464 2684 M+H+CF3COOH 472035 269.184938 269.18570179122963 388.7184757744065 154.1848 C4H10O4S 1 312.54 +16465 4966 M+H+CF3COOH 670274 369.277618 369.2758791408471 524.9638404321765 254.27748 C10H22O7 1 353.02 +16467 5322 M+H+CF3COOH 584960 387.25291799999997 387.2519382641854 790.5783932498837 272.25278 C15H12O5 1 757.32 +16468 3969 M+H+CF3COOH 345070 323.18379799999997 323.18465300401 561.9595053616401 208.18365999999995 C16H9Li 1 1119.95 +16470 3079 M+H+CF3COOH 28568 286.216998 286.21614065698174 803.013443709219 171.21685999999997 C7H9NO2S 1 594.6 16471 6420 M+H+CF3COOH 570079 438.196659 438.1961653533345 420.79332724965553 323.196521 C9H14N3O8P 0 195.8 16473 6854 M+H+CF3COOH 262906 457.31794119999984 457.3190455255346 649.9999735646239 342.31780319999984 C19H15FO5 1 1113.14 16474 2490 M+H+CF3COOH 102037 261.189238 261.18919215320034 390.54503997043923 146.1891 C9H10N2 0 660.9 +16475 4783 M+H+CF3COOH 409741 360.273938 360.2746348628635 616.7349930056237 245.27379999999997 C14H15NO3 1 683.11 +16481 4384 M+H+CF3COOH 114004 341.26905800000003 341.26841174179054 654.3623742367504 226.26892000000004 C12H18O4 1 840.89 16483 3566 M+H+CF3COOH 411175 306.18473900000004 306.1838025572232 679.3864826658844 191.18460100000001 C8H16O3P+ 1 625.69 16484 3974 M+H+CF3COOH 619228 323.253778 323.25522428542104 904.850301471711 208.25364000000002 C12H16O3 1 682.06 16485 4825 M+H+CF3COOH 418018 362.28981799999997 362.28930526450984 831.7097849543145 247.28967999999998 C14H17NO3 1 685.73 +16486 4023 M+H+CF3COOH 734824 325.27449799999994 325.27364618042014 718.5851049205214 210.27435999999994 C14H14N2 1 679.05 +16487 5304 M+H+CF3COOH 657321 386.291298 386.2894141448618 661.2746831328965 271.29116 C14H9NO3S 1 937.35 16488 5305 M+H+CF3COOH 657321 386.291298 386.29043355119137 693.7360243124091 271.29116 C14H9NO3S 1 937.35 +16490 2325 M+H+CF3COOH 479088 253.251738 253.25267033088795 838.6537233320302 138.2516 C4H10OS2 1 572.15 16491 6188 M+H+CF3COOH 517331 427.234298 427.233364207253 607.4750862241457 312.23416000000003 C16H19Cl2NO 1 632.34 16492 3600 M+H+CF3COOH 552810 307.280818 307.27988432625006 946.4866098924095 192.28068 C10H12N2S 1 737.46 +16493 4440 M+H+CF3COOH 579751 344.254618 344.25453901986225 496.3607545919104 229.25448 C12H7NO2S 1 699.26 +16494 7087 M+H+CF3COOH 111220 470.2604579999998 470.2593099117868 475.08568479237994 355.2603199999998 C12H13N5O8 0 410.62 +16496 3881 M+H+CF3COOH 236958 319.225318 319.22687314511995 664.0615192514915 204.22518 C11H12N2O2 1 499.22 16498 4231 M+H+CF3COOH 735715 334.236658 334.23690818184235 633.0788046302234 219.23651999999996 C12H13NO3 1 763.87 +16499 5240 M+H+CF3COOH 331676 383.30727799999994 383.3081956128501 882.5977954166328 268.30713999999995 C17H16O3 1 978.77 +16509 3789 M+H+CF3COOH 649657 315.19685799999996 315.19546282858863 603.5702760868883 200.19671999999997 C10H8N4O 1 466.2 +16513 5418 M+H+CF3COOH 57616 391.2464579999999 391.2462183612117 657.9664680804007 276.2463199999999 C16H8N2O3 1 917.75 16514 5419 M+H+CF3COOH 57616 391.2464579999999 391.24725492946766 700.4583225238423 276.2463199999999 C16H8N2O3 1 917.75 16515 5420 M+H+CF3COOH 57616 391.2464579999999 391.24829332489594 700.7552233655313 276.2463199999999 C16H8N2O3 1 917.75 +16516 7448 M+H+CF3COOH 73339 490.4254180000001 490.42411439467764 1043.2240628026761 375.4252800000001 C24H17N5 1 767.31 +16517 5078 M+H+CF3COOH 579501 374.27570119999996 374.2769111662402 712.7366690359131 259.27556319999997 C15H14FNO2 1 770.85 16519 3974 M+H+CF3COOH 137809 323.253778 323.25522428542104 904.850301471711 208.25364000000002 C12H16O3 1 734.39 16520 4318 M+H+CF3COOH 288279 338.268418 338.26821672167034 725.1323262762153 223.26827999999998 C12H17NO3 1 539.59 +16521 2321 M+H+CF3COOH 445775 253.190378 253.19105358715527 540.7382661196519 138.19024 C6H6N2S 1 562 16523 2344 M+H+CF3COOH 313897 254.247278 254.24781484398915 849.1804377762122 139.24714 C7H11OSi 1 661.77 +16526 1688 M+H+CF3COOH 598506 222.11343799999997 222.11259615602387 403.94076529770217 107.11329999999998 C5H5N3 1 84.33 +16528 2764 M+H+CF3COOH 697545 272.21033800000004 272.2090531215715 681.089639027399 157.21020000000001 C8H15NO2 1 515.13 +16529 4526 M+H+CF3COOH 325109 348.26653799999997 348.2659885419211 951.8448722080403 233.26639999999995 C12H15N3O2 1 487 +16530 1886 M+H+CF3COOH 7781 231.15841799999998 231.1591378720228 520.4552145159998 116.15827999999999 C6H12O2 1 721.88 +16531 5157 M+H+CF3COOH 435672 379.16109800000004 379.1592327667719 426.0154579311971 264.16096000000005 C13H14BrN 1 784.59 +16532 7331 M+H+CF3COOH 319701 483.40647799999994 483.40715339029475 899.2669870846893 368.40633999999994 C19H16N2O4S 1 1081.26 16533 4141 M+H+CF3COOH 224531 330.254558 330.2545543093946 655.332630322943 215.25441999999995 C11H13N5 1 716.93 16535 5427 M+H+CF3COOH 635963 391.284678 391.2846444615969 907.4651883300597 276.28454 C15H16O5 1 792.26 16536 4135 M+H+CF3COOH 566806 330.17196759999996 330.1730575990739 461.16781366691396 215.17182959999997 C10H8F3NO 1 777.04 +16538 3462 M+H+CF3COOH 195210 302.219698 302.21946777636765 684.6315232777386 187.21955999999997 C6H9N3O2S 1 443.04 +16540 4113 M+H+CF3COOH 727054 329.1839076 329.1828192471079 446.43143974227473 214.18376959999998 C11H9F3O 1 1058.91 +16542 5909 M+H+CF3COOH 735852 414.3213179999999 414.3198219220875 807.2635354702951 299.3211799999999 C17H17NO4 0 718.06 +16544 1979 M+H+CF3COOH 295296 236.136718 236.13630320050552 552.4202444841228 121.13658 C7H7NO 1 273.06 +16546 5102 M+H+CF3COOH 262187 376.1244012 376.1236048365246 321.7836397391253 261.12426320000003 C6H4FN5O6 1 621.64 +16547 4717 M+H+CF3COOH 377749 357.22693799999996 357.22598222511033 648.102033981841 242.22679999999997 C14H10O4 1 802.73 16549 3547 M+H+CF3COOH 33263 305.263398 305.26422743043355 920.8539267593213 190.26325999999997 C7H14N2O2S 1 402.89 +16553 3452 M+H+CF3COOH 345342 302.1221076 302.1235216579968 387.04222205667236 187.12196959999997 C7H4F3N3 0 736.81 +16554 6265 M+H+CF3COOH 201607 430.2776579999999 430.2783986330212 582.8756434579029 315.2775199999999 C16H13NO6 1 766.24 +16555 6266 M+H+CF3COOH 201607 430.2776579999999 430.27959586992046 710.2976329508227 315.2775199999999 C16H13NO6 1 766.24 +16558 4423 M+H+CF3COOH 387391 343.246718 343.2479211637973 633.293628403718 228.24657999999997 C13H12N2O2 1 699.78 +16559 1942 M+H+CF3COOH 441664 234.12413800000002 234.12415754213242 389.71355694998306 119.124 C6H5N3 1 462.4 16560 2249 M+H+CF3COOH 439935 250.123538 250.12345680794863 721.2002628288445 135.12339999999998 C6H5N3O 1 322.63 16561 7397 M+H+CF3COOH 225490 487.3326180000001 487.3301891135973 870.1321920489241 372.3324800000001 C18H27Cl2N3O 1 598.02 16562 7398 M+H+CF3COOH 225490 487.3326180000001 487.3316311028812 851.0661619031285 372.3324800000001 C18H27Cl2N3O 1 598.02 @@ -3174,281 +8528,752 @@ 16567 8365 M+H+CF3COOH 867149 546.4855980000001 546.4862362476088 1112.7876392612825 431.48546000000005 C21H29N5O5 1 623.82 16568 8366 M+H+CF3COOH 867149 546.4855980000001 546.4879458342145 1115.5036346796965 431.48546000000005 C21H29N5O5 1 623.82 16569 3836 M+H+CF3COOH 33110 317.207898 317.2070129967029 509.96986485492806 202.20776 C8H14N2O4 1 132.28 +16571 4256 M+H+CF3COOH 309924 335.22141799999997 335.22182424458606 575.0643458020763 220.22127999999998 C12H12O4 1 669.73 +16573 2908 M+H+CF3COOH 80307 279.247578 279.24862982817905 908.2798576579142 164.24743999999998 C10H16N2 1 612.65 +16574 4554 M+H+CF3COOH 421835 350.196298 350.1975997110781 510.62010159091756 235.19616000000002 C10H9N3O4 1 713.71 +16575 4343 M+H+CF3COOH 477073 340.083758 340.0841562302618 441.56834795798903 225.08361999999997 C6H13BrN2O2 1 161.93 16576 2832 M+H+CF3COOH 690585 275.277178 275.2774749106858 837.2686972674027 160.27704 C8H16OS 1 799.66 +16577 3096 M+H+CF3COOH 304907 287.14369800000003 287.1430842146807 255.5133386168381 172.14356 C8H4N4O 1 677.56 +16578 4823 M+H+CF3COOH 424722 362.253358 362.2537978647829 533.620120648014 247.25321999999997 C11H13N5O2 1 601.33 16579 7177 M+H+CF3COOH 497634 475.27473800000007 475.27334051405103 657.0045195435998 360.2746000000001 C22H20N2Ti-- 0 941.55 +16581 4027 M+H+CF3COOH 614240 326.107629 326.108915161636 264.55108636877793 211.10749099999998 C7H9NaO4P+ 1 93.17 +16583 7268 M+H+CF3COOH 255447 480.2932779999998 480.29454159788 627.2494524514655 365.2931399999998 C19H11NO7 1 701.36 +16586 1613 M+H+CF3COOH 348464 218.04837799999999 218.04850461391348 253.37088748000087 103.04823999999998 C5H6LiNO 1 707.99 +16587 4819 M+H+CF3COOH 621958 362.21515800000003 362.21690559916584 468.6292866194345 247.21502000000004 C12H23Br 1 1391 +16588 7136 M+H+CF3COOH 257386 473.2195779999998 473.2208514470778 519.6426116290171 358.2194399999998 C14H6N4O8 1 638.97 +16589 4256 M+H+CF3COOH 608852 335.22141800000003 335.22182424458606 575.0643458020763 220.22128000000004 C12H12O4 1 709.04 +16594 4866 M+H+CF3COOH 276815 364.3069390000001 364.3054958495055 879.8054005630437 249.3068010000001 C12H26O3P+ 1 1120.07 +16596 5426 M+H+CF3COOH 125070 391.28467799999993 391.28360264381064 759.6736885482671 276.28453999999994 C15H16O5 1 843.5 +16597 5427 M+H+CF3COOH 125070 391.28467799999993 391.2846444615969 907.4651883300597 276.28453999999994 C15H16O5 1 843.5 16599 3155 M+H+CF3COOH 530777 289.1745212 289.1756500301031 375.2521932500783 174.1743832 C10H7FN2 1 701.83 +16603 1237 M+H+CF3COOH 26131 197.10067800000002 197.10031924133492 359.909144013198 82.10054 C5H6O 0 596.71 +16605 3932 M+H+CF3COOH 40174 321.242738 321.24287537689577 670.7183970207242 206.24259999999998 C14H10N2 1 916.4 +16612 6038 M+H+CF3COOH 191427 420.3193243999999 420.31873783407696 1089.1964918530516 305.3191863999999 C17H17F2NO2 0 1075.68 +16613 5578 M+H+CF3COOH 603699 398.16267799999997 398.16347127711293 514.2351227732731 283.16254 C16H11Br 1 1170.51 16616 3841 M+H+CF3COOH 327377 317.252498 317.25149019153804 560.8011639658927 202.25235999999998 C12H14N2O 1 660.51 +16617 3150 M+H+CF3COOH 265791 289.154738 289.15461778097733 485.9104170309656 174.1546 C6H10N2O4 1 123.26 +16620 6189 M+H+CF3COOH 8739 427.2372579999999 427.2369142368249 552.1461401330948 312.2371199999999 C14H8N4O5 0 716.36 +16621 7624 M+H+CF3COOH 307307 500.2513179999999 500.24934622242745 630.0781017546155 385.2511799999999 C20H17BrO3 0 1357.52 +16622 4204 M+H+CF3COOH 94000 333.208838 333.2098022314991 385.7127882780454 218.2087 C11H10N2O3 1 623.46 16627 3974 M+H+CF3COOH 487751 323.25377800000007 323.25522428542104 904.850301471711 208.25364000000005 C12H16O3 1 808.57 +16631 4882 M+H+CF3COOH 488862 365.21776759999995 365.2168423187253 463.0464370248055 250.21762959999995 C10H13F3N2O2 1 862.56 16634 4359 M+H+CF3COOH 254855 340.285838 340.28503426561156 674.0693427442635 225.28570000000002 C15H15NO 1 851.65 +16635 6705 M+H+CF3COOH 53523 450.35517799999997 450.3562002240864 1164.1591272633077 335.35504 C16H21N3O5 0 568.53 +16636 4822 M+H+CF3COOH 425599 362.24675800000006 362.2474371156107 857.7577406009075 247.24662000000004 C13H13NO4 1 789.9 +16637 2860 M+H+CF3COOH 205891 277.0937712 277.094550888601 407.19425895520897 162.09363319999997 C7H4FNaO2 1 656.43 +16638 6306 M+H+CF3COOH 20821 432.18783799999994 432.186660817098 261.8476195381565 317.18769999999995 C13H10Cl2O3S 1 1049.84 16639 2489 M+H+CF3COOH 475019 261.184398 261.1848870270874 585.0673809010664 146.18426 C7H14O3 1 561.04 +16642 1750 M+H+CF3COOH 607595 225.196898 225.19619238008187 1019.2596478886063 110.19676 C8H14 1 792.22 +16643 5606 M+H+CF3COOH 621759 400.14443800000004 400.1431705258169 475.18814078053344 285.14430000000004 C9H10Cl2O4S 1 864.54 +16650 5962 M+H+CF3COOH 23307 417.17649800000004 417.1750134101893 330.72549373064373 302.17636000000005 C12H9Cl2NO2S 1 987.92 16652 6502 M+H+CF3COOH 386717 442.09935899999994 442.09938809747604 761.1211007107636 327.09922099999994 C14H9Cl2O3P 0 1175.71 16653 6074 M+H+CF3COOH 586725 421.7410379999999 421.73999919258256 987.7621497355128 306.7408999999999 C16H15ClO4 0 1083.17 +16654 4228 M+H+CF3COOH 587608 334.2118412 334.2118435808297 417.8250305998649 219.2117032 C12H10FNO2 0 649.68 16657 3591 M+H+CF3COOH 553532 307.15339800000004 307.15368419944735 560.9979010464435 192.15326000000002 C3H4N4O4S 1 565.91 16659 5531 M+H+CF3COOH 178260 395.40739800000017 395.40698197432664 1029.0075117342958 280.4072600000002 C19H24N2 1 493.7 16660 2850 M+H+CF3COOH 6314 276.20057799999995 276.1995441167404 708.3052158893136 161.20043999999996 C10H11NO 1 605.09 +16661 4040 M+H+CF3COOH 495045 326.217958 326.2173992947892 559.4069383054612 211.21782 C9H13N3O3 1 554.76 +16662 6651 M+H+CF3COOH 631574 448.2064980000001 448.20550195342855 497.14024206732245 333.20636000000013 C13H9BrN4S 1 733.14 +16663 2317 M+H+CF3COOH 553390 253.127478 253.1286536365287 275.0712082328623 138.12733999999998 C5H6N4O 1 328.21 +16664 8080 M+H+CF3COOH 661077 528.2487579999998 528.2475724209071 216.68427670352128 413.24861999999985 C19H18Cl2O6 1 880.83 16667 5010 M+H+CF3COOH 730005 371.3148211999999 371.315094381972 1095.6975825113987 256.31468319999993 C17H17FO 1 1141.56 +16670 5206 M+3ACN+2H 256022 382.1949224999999 382.19669130268596 382.16581967194634 639.2956429999998 C15H24N5O17P3 1 345.66 +16675 474 M+3ACN+2H 736190 152.09054099999997 152.09017300420012 248.71337921448955 179.08687999999998 C8H12Cl2 1 1026.63 16677 2112 M+3ACN+2H 169178 243.16948150000002 243.17037781604364 371.13189882475467 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 +16678 723 M+3ACN+2H 637020 168.076391 168.07674499139955 169.5284076883565 211.05857999999998 C8H7BrN2 0 747.57 16681 749 M+3ACN+2H 405096 169.142421 169.1416789510385 618.945609776108 213.19064000000003 C8H11N3O4 1 726.51 +16682 3445 M+3ACN+2H 211096 302.052271 302.05174488013404 303.4112721248407 479.01034000000004 C28H31ClN2O3 1 838.25 16683 3128 M+3ACN+2H 518021 288.19689600000004 288.19624703549965 692.307421761574 451.29959 C23H18INO 1 1114.68 +16687 952 M+3ACN+2H 402542 180.16506099999998 180.16498563787653 319.38218065827544 235.23592 C12H13NO4 1 652.19 +16688 1823 M+3ACN+2H 868001 228.23115099999995 228.2322010488026 997.3295026267606 331.3680999999999 C13H25N5O5 1 54.14 +16689 536 M+3ACN+2H 860429 156.102251 156.10221986756983 348.7440936143872 187.1103 C5H5N3O5 1 585.93 16690 1449 M+3ACN+2H 82736 208.17681099999996 208.17774686052934 659.5296979070658 291.2594199999999 C13H13N3O5 1 507.83 +16693 820 M+3ACN+2H 177716 173.17330099999998 173.17311453133618 708.6349057356821 221.25239999999997 C12H15NO3 0 658.33 +16697 954 M+3ACN+2H 367220 180.186591 180.18667556277887 319.7316656041345 235.27898 C13H17NO3 0 682.08 +16698 2466 M+3ACN+2H 494519 260.1944221999999 260.1936418140202 588.0405000303358 395.2946423999998 C16H8F7NOS 0 723.76 +16700 377 M+3ACN+2H 571542 145.123441 145.12275345208863 481.0357035268826 165.15268 C6H7N5O 1 297.37 16703 2998 M+3ACN+2H 82436 283.2275010000001 283.2265565239797 1257.655995361422 441.36080000000015 C23H25BrN2O2 1 689.75 16706 2748 M+3ACN+2H 277703 272.0685810000001 272.06979381396377 166.5025232452398 419.04296000000016 C25H39ClN2O 1 926.07 +16709 3698 M+3ACN+2H 559544 311.292501 311.2939581792357 887.3490023217139 497.4908 C20H35NO13 1 621.36 +16710 2016 M+3ACN+2H 191329 238.16458099999994 238.16470589163038 456.9378754998903 351.2349599999999 C17H19BrO3 1 1084.79 +16711 3099 M+3ACN+2H 233503 287.168461 287.168148891961 479.48926430472085 449.24271999999996 C16H18Cl2N4O7 1 660.21 +16715 1131 M+3ACN+2H 45400 190.144181 190.14372466527124 338.50113537617705 255.19415999999998 C6H9N9O3 1 156.48 16718 8394 M+3ACN+2H 288736 549.4115125000002 549.4139889367535 888.3247025385782 973.7288230000004 C32H46N7O20P3S 1 286.97 +16719 2344 M+3ACN+2H 409108 254.247671 254.24781484398915 849.1804377762122 383.40114 C19H21N5O4 1 621.38 16725 125 M+3ACN+2H 16773 125.02379099999999 125.02366850459272 471.3474703574526 124.95338 C3H2Cl2O 0 729.52 +16726 477 M+3ACN+2H 558536 152.11520099999998 152.11521797641683 620.1077122039662 179.13619999999997 C6H5N5O2 1 270.14 16727 1055 M+3ACN+2H 333692 186.09167100000002 186.09152855522046 387.21149865665416 247.08914000000001 C8H11BrN2O2 0 731.86 16728 406 M+3ACN+2H 670734 147.11691100000002 147.1170566961012 560.6042237344371 169.13962 C9H3N3O 0 719.55 +16729 254 M+3ACN+2H 437704 136.112501 136.1122096618759 223.15634780482932 147.1308 C8H5NO2 1 690.78 16730 788 M+3ACN+2H 332359 172.043561 172.04300260538108 294.48131255834744 218.99292 C5H3BrN2O3 1 691.84 +16734 1678 M+3ACN+2H 20821 221.14095099999997 221.14020865552774 498.100651006569 317.18769999999995 C13H10Cl2O3S 1 1049.84 +16735 883 M+3ACN+2H 409519 177.16442099999998 177.163933598763 501.2844949624206 229.23463999999996 C12H11N3O2 1 704.06 +16736 5150 M+3ACN+2H 492998 378.32168099999984 378.32187733132326 847.1636430717076 631.5491599999997 C32H64O4Sn 1 880.79 +16737 426 M+3ACN+2H 675299 149.09643260000001 149.0962977463623 430.9726071085438 173.0986632 C6H4FNO4 1 430.86 +16741 1196 M+3ACN+2H 45065 194.137851 194.1386616155371 481.16312787362915 263.1815 C7H5NO8S 1 424.91 +16742 536 M+3ACN+2H 550258 156.102421 156.10221986756983 348.7440936143872 187.11064 C6H16Cl2N2 1 126.27 +16744 2999 M+3ACN+2H 428864 283.226571 283.22681034676344 685.1654810521427 441.35893999999996 C14H21ClHgO 1 1034.05 +16746 6135 M+NH4+CF3COOH 227007 425.174685 425.17544072419867 407.4313342094097 293.148 C14H10Cl2N2O 1 989.46 +16747 6136 M+NH4+CF3COOH 227007 425.174685 425.1766172969328 417.6080331328157 293.148 C14H10Cl2N2O 1 989.46 +16748 4545 M+NH4+CF3COOH 657534 349.26892499999997 349.2698456119605 220.12343865210818 217.24224 C8H11NO4S 1 886.02 16749 7011 M+NH4+CF3COOH 98329 466.264825 466.2631094526091 520.2668393031485 334.23814 C15H21Cl2NO3 1 1042.81 +16751 4981 M+NH4+CF3COOH 143444 370.223825 370.2220004882483 481.1686811911572 238.19714 C11H21Cl2N 1 857.55 16752 4542 M+NH4+CF3COOH 723512 349.22260500000004 349.22093949470127 550.1781868032319 217.19592000000006 C9H13O6- 1 710.23 16753 4809 M+NH4+CF3COOH 190558 361.32598499999995 361.3273729245679 1060.6565310766418 229.2993 C9H15N3O2S 1 755.73 +16755 7941 M+NH4+CF3COOH 188474 518.8356249999999 518.8377986872192 1254.1050320092015 386.8089399999999 C18H11ClN2O4S 0 888 16756 5164 M+NH4+CF3COOH 535672 379.2484882 379.24717487816883 627.7610487620184 247.2218032 C13H10FNO3 1 745.95 +16759 3294 M+NH4+CF3COOH 534807 295.246305 295.24592733674143 767.2658032566966 163.21962 C9H13N3 1 174.57 +16763 2503 M+NH4+CF3COOH 483891 262.128725 262.1287405953489 357.1628079885329 130.10204 C4H6N2O3 1 172.75 +16764 2753 M+NH4+CF3COOH 590394 272.1235449999999 272.12379409543803 298.6230328159759 140.09685999999996 C5H4N2O3 1 534.63 +16766 3216 M+NH4+CF3COOH 35515 292.139146 292.13787138533604 348.05294482450944 160.112461 C8H5N2P 0 726.48 16768 5398 M+NH4+CF3COOH 97262 390.2992449999999 390.30084685977636 653.8542724197013 258.27255999999994 C14H14N2O3 1 913.13 +16769 2253 M+NH4+CF3COOH 299949 250.16567983799996 250.16445701546013 486.92626665526035 118.13899483799997 C5H11NO2 1 225.08 16770 4038 M+NH4+CF3COOH 68528 326.209145 326.20763041652236 357.18758038870595 194.18246 C7H14O6 1 454.62 16771 6695 M+NH4+CF3COOH 287492 450.25662499999993 450.25618058192305 636.4382907375691 318.22993999999994 C12H16BrNO2S 1 968.43 16772 6696 M+NH4+CF3COOH 287492 450.25662499999993 450.2574623315026 662.5280844887515 318.22993999999994 C12H16BrNO2S 0 968.43 +16777 3948 M+NH4+CF3COOH 226645 322.223745 322.22215502295114 521.14502848852635 190.19706 C7H14N2O4 1 632.26 16778 6734 M+NH4+CF3COOH 391249 452.27404499999994 452.27450534702473 641.1143951708343 320.24735999999996 C15H14BrNS 0 1019.77 16780 4356 M+NH4+CF3COOH 661921 340.240565 340.23955568002674 599.9788961906756 208.21388000000002 C10H12N2O3 1 342.95 16783 3404 M+NH4+CF3COOH 251020 300.21646499999997 300.21698604452666 522.9986547866195 168.18978 C9H12O3 1 700.59 16786 3539 M+NH4+CF3COOH 539591 305.19476499999996 305.1956749248693 542.6601605718326 173.16808 C10H7NO2 1 398.61 +16787 5522 M+NH4+CF3COOH 579933 395.24131459999995 395.2413853290023 622.9596704256776 263.21462959999997 C14H8F3NO 1 871.37 16788 2829 M+NH4+CF3COOH 551407 275.22129388999997 275.221331495178 677.0706025974843 143.19460888999998 C8H5D5O2 1 689.73 16789 3072 M+NH4+CF3COOH 379931 286.146825 286.14754678426226 372.54799795561905 154.12014 C7H6O4 1 497.65 +16799 3884 M+NH4+CF3COOH 699051 319.264405 319.26284696487085 718.8456440961542 187.23772000000002 C12H13NO 1 711.8 16801 2890 M+NH4+CF3COOH 205263 278.1861282 278.1858994219986 302.13626676154877 146.1594432 C7H11FO2 1 798.63 16802 3916 M+NH4+CF3COOH 203625 321.1364178 321.13687186054034 315.93693334525926 189.1097328 C8H3F4N 1 828.35 16803 2489 M+NH4+CF3COOH 348039 261.183725 261.1848870270874 585.0673809010664 129.15704 C6H11NO2 1 605.88 16805 10399 M+NH4+CF3COOH 589059 736.8410250000002 736.8411432498463 216.91163859980895 604.8143400000002 C35H56O8 0 851.72 16806 4886 M+NH4+CF3COOH 171679 365.25332499999996 365.25321606841965 651.2137970359599 233.22663999999997 C10H11N5O2 1 675.64 +16807 3430 M+NH4+CF3COOH 383192 301.164765 301.1639524681863 546.7036925819328 169.13807999999997 C6H7N3O3 1 555.17 +16808 5251 M+NH4+CF3COOH 622530 384.207005 384.2088091817226 733.9619518238437 252.18032 C10H8N2O6 1 44.76 +16809 6679 M+NH4+CF3COOH 502032 449.3383282 449.3372264145457 639.8557073997035 317.3116432 C17H16FNO4 1 801.62 +16810 5151 M+NH4+CF3COOH 52454 378.331605 378.3298753012022 898.8781110209064 246.30492000000004 C14H18N2O2 1 733.95 16813 3974 M+NH4+CF3COOH 43794 323.25478499999997 323.25522428542104 904.850301471711 191.22809999999998 C5H5NO3S2 1 605.63 +16816 4597 M+NH4+CF3COOH 204874 352.17527459999997 352.1751178003317 506.5130159349053 220.14858959999998 C8H7F3N2O2 1 648.51 +16819 6990 M+NH4+CF3COOH 97481 465.24790499999995 465.2487854549335 607.2898683638 333.22121999999996 C20H13Br 0 1098.8 +16822 4318 M+NH4+CF3COOH 625182 338.267745 338.26821672167034 725.1323262762153 206.24106 C11H14N2O2 1 647.79 +16823 6028 M+NH4+CF3COOH 196682 420.1699441999999 420.16843584985486 550.4490926380764 288.14325919999993 C10H6F6O3 1 844.76 16825 5539 M+NH4+CF3COOH 410826 396.187645 396.18606783205445 385.1509524817049 264.16096 C13H14BrN 1 945.01 +16827 2149 M+NH4+CF3COOH 615555 245.11808499999998 245.11725194167445 587.240203979792 113.0914 C5H5O3- 1 581.44 16828 4905 M+NH4+CF3COOH 382686 366.32244499999996 366.3212342070809 856.7266501181687 234.29575999999997 C16H14N2 1 761.56 16832 3351 M+NH4+CF3COOH 849101 298.200585 298.2015130549158 556.2404124850624 166.1739 C9H10O3 1 680.8 16833 5196 M+NH4+CF3COOH 641278 381.2643682 381.2628314429828 681.7801150329483 249.2376832 C13H12FNO3 1 1000.54 +16834 3080 M+NH4+CF3COOH 689319 286.236245 286.23742596838093 666.4295809424892 154.20956 C8H14N2O 1 642.88 +16835 4353 M+NH4+CF3COOH 625541 340.194205 340.19510812596076 521.5726025390655 208.16752 C10H8O5 1 659.59 16838 2214 M+NH4+CF3COOH 594091 248.18496499999998 248.1856149511282 517.2873219235848 116.15828 C6H12O2 1 330.44 16841 4071 M+NH4+CF3COOH 282786 327.264945 327.2640236433667 423.52024058927515 195.23826000000003 C9H9NO2S 1 780.52 +16846 12277 M+NH4+CF3COOH 423317 996.7832250000001 996.7848545702861 505.0420684892756 864.7565400000001 C45H36O18 0 1166.55 +16848 4465 M+NH4+CF3COOH 528445 345.258625 345.25783851833955 496.41294776582095 213.23194 C13H11NO2 0 712.1 +16851 4626 M+NH4+CF3COOH 177716 353.27908499999995 353.2799961577563 572.2365716497068 221.25239999999997 C12H15NO3 1 658.33 +16852 5077 M+NH4+CF3COOH 504959 374.25348499999996 374.2537309090799 545.7431919905479 242.22679999999997 C14H10O4 1 772.22 +16854 4139 M+NH4+CF3COOH 680755 330.21723239999994 330.2179136497974 472.4525283066515 198.19054739999996 C8H17F2OP 1 923.8 16857 7084 M+NH4+CF3COOH 709795 470.16709499999996 470.1649012701471 424.1737746294611 338.14041 C14H11IO2 0 1268.39 +16858 6723 M+NH4+CF3COOH 403086 451.3624049999999 451.3607894027997 991.0440735170706 319.3357199999999 C14H13N3O4S 1 666.8 +16859 5989 M+NH4+CF3COOH 564971 418.17170500000003 418.1704027241294 428.9144597312892 286.14502000000005 C10H8BrNO2S 0 1077.92 16860 5990 M+NH4+CF3COOH 564971 418.17170500000003 418.1716246092991 287.77432737397896 286.14502000000005 C10H8BrNO2S 0 1077.92 16861 3884 M+NH4+CF3COOH 246584 319.26286500000003 319.26284696487085 718.8456440961542 187.23618000000002 C9H17NO3 1 647.27 16864 3650 M+NH4+CF3COOH 536525 309.22652500000004 309.2267480447634 545.9756472832322 177.19984000000002 C10H11NO2 1 739.05 +16866 5284 M+NH4+CF3COOH 617576 386.10670500000003 386.10710982883313 289.3736908883449 254.08002000000002 C10H8BrNO2 1 670.55 16867 8070 M+NH4+CF3COOH 494519 527.3213273999997 527.3217732346208 631.4282755018498 395.2946423999998 C16H8F7NOS 1 723.76 16869 7162 M+NH4+CF3COOH 443498 474.3247049999999 474.3265142843744 517.7502431498053 342.2980199999999 C15H18O9 1 761.92 +16870 6540 M+NH4+CF3COOH 727283 443.32056499999993 443.31935390808843 660.6718410525644 311.29387999999994 C12H17N5O5 1 413.51 16871 6427 M+NH4+CF3COOH 99755 438.3420449999999 438.3414532486861 862.6410011768047 306.31535999999994 C18H14N2O3 1 890.99 +16874 2538 M+NH4+CF3COOH 493273 263.201145 263.2010613537157 1254.0196708543385 131.17446 C9H9N 1 626 +16875 3840 M+NH4+CF3COOH 389271 317.246985 317.2477045907775 641.5201851937252 185.22030000000004 C9H15NO3 1 730.12 16878 4085 M+NH4+CF3COOH 36371 328.14704500000005 328.14738798119436 579.6996801025091 196.12036000000003 C6H4N4O4 1 580.55 +16883 5009 M+NH4+CF3COOH 535147 371.2992049999999 371.2976581645639 798.7263880187643 239.27251999999993 C14H13N3O 1 723.79 16884 3543 M+NH4+CF3COOH 94204 305.237825 305.23908640443943 565.897090739233 173.21114 C11H11NO 1 831.31 +16887 10745 M+NH4+CF3COOH 303627 777.8166450000001 777.816362453142 337.6805666649759 645.7899600000001 C30H39N5O7S2 0 706.95 +16888 6795 M+NH4+CF3COOH 570079 455.223206 455.22519524166916 589.7803315566921 323.196521 C9H14N3O8P 0 195.8 16889 5135 M+NH4+CF3COOH 409741 377.300485 377.3008072871447 985.8937601665484 245.27379999999997 C14H15NO3 1 683.11 16890 7501 M+NH4+CF3COOH 192207 493.281365 493.2813693045756 642.6583881630439 361.25468 C13H17BrN2O3S 1 711.5 +16892 3743 M+NH4+CF3COOH 404304 313.238365 313.2370155937335 655.3386216817407 181.21168 C8H7NO2S 1 736.75 16893 8864 M+NH4+CF3COOH 233503 581.269405 581.2673590668053 267.031072526972 449.24271999999996 C16H18Cl2N4O7 1 660.21 +16894 4736 M+NH4+CF3COOH 114004 358.295605 358.29514099188384 733.6095822597229 226.26892000000004 C12H18O4 1 840.89 +16896 5151 M+NH4+CF3COOH 344448 378.32830500000006 378.3298753012022 898.8781110209064 246.30162000000007 C15H18O3 1 780.81 16897 2255 M+NH4+CF3COOH 700581 250.1793282 250.17840745115393 932.5287727556325 118.15264319999999 C5H11FN2 0 224.34 16901 5693 M+NH4+CF3COOH 657321 403.317845 403.31981328196247 740.7154023720442 271.29116 C14H9NO3S 1 937.35 16902 4960 M+NH4+CF3COOH 269929 369.216786 369.2174061711963 540.8775337250647 237.19010100000003 C8H16NO5P 1 689.99 16903 5341 M+NH4+CF3COOH 694100 388.2614260000001 388.2632335506354 890.0156390820043 256.2347410000001 C12H17O4P 1 715.42 +16905 2723 M+NH4+CF3COOH 479088 270.278285 270.27910343784094 922.5520317157317 138.2516 C4H10OS2 1 572.15 16906 6553 M+NH4+CF3COOH 517331 444.260845 444.2590069829329 620.9450301623996 312.23416000000003 C16H19Cl2NO 1 632.34 +16907 5529 M+NH4+CF3COOH 633027 395.3340081999999 395.33208417431035 843.5080639077178 263.3073231999999 C15H18FNO2 1 810.3 +16908 3162 M+NH4+CF3COOH 345192 289.23688500000003 289.23713835075165 777.4507714165184 157.21020000000001 C8H15NO2 1 393.05 +16913 8846 M+NH4+CF3COOH 713463 579.4100860000001 579.4100861103209 936.0877953513007 447.38340100000005 C15H26N7O7P 0 584.69 16914 3173 M+NH4+CF3COOH 325677 290.178585 290.17891951110045 625.0228707146973 158.15189999999998 C7H10O4 1 678.9 +16916 3976 M+NH4+CF3COOH 443595 323.276245 323.2768654232155 728.772332933999 191.24956 C10H9NOS 1 571.05 16919 4181 M+NH4+CF3COOH 649657 332.22340499999996 332.22479583542946 707.560285393321 200.19671999999997 C10H8N4O 1 466.2 16920 5779 M+NH4+CF3COOH 57616 408.2730049999999 408.2745788239024 667.1882982191905 276.2463199999999 C16H8N2O3 1 917.75 16921 4210 M+NH4+CF3COOH 500249 333.33404500000006 333.3343089104253 803.1575353386429 201.30736000000005 C14H19N 1 654.74 +16923 5428 M+NH4+CF3COOH 579501 391.30224819999995 391.3033392131738 642.4355850331926 259.27556319999997 C15H14FNO2 1 770.85 16924 6301 M+NH4+CF3COOH 726177 432.11911499999997 432.1179420415365 262.3483989600148 300.09243 C11H9IO2 1 992.5 16925 6302 M+NH4+CF3COOH 726177 432.11911499999997 432.12035168616444 313.3950020703626 300.09243 C11H9IO2 1 992.5 +16926 6072 M+NH4+CF3COOH 479123 421.35788499999995 421.3592278042679 1137.5798696143988 289.33119999999997 C18H15N3O 1 646.25 +16927 2939 M+NH4+CF3COOH 373981 281.111666 281.1124774171698 254.00787786136883 149.084981 C4H8NO3P 1 588.75 +16931 3290 M+NH4+CF3COOH 124019 295.19994499999996 295.20130716352674 497.3837126710191 163.17326 C9H9NO2 1 637.37 +16933 2214 M+NH4+CF3COOH 7781 248.18496499999998 248.1856149511282 517.2873219235848 116.15827999999999 C6H12O2 1 721.88 +16934 4905 M+NH4+CF3COOH 596147 366.3209049999999 366.3212342070809 856.7266501181687 234.29421999999994 C13H18N2O2 1 713.65 16935 5539 M+NH4+CF3COOH 435672 396.18764500000003 396.18606783205445 385.1509524817049 264.16096000000005 C13H14BrN 1 784.59 16936 4258 M+NH4+CF3COOH 657533 335.242345 335.24262178650577 672.563661348239 203.21566 C7H9NO4S 1 829.84 16940 4149 M+NH4+CF3COOH 365136 331.063445 331.06260831179947 196.306382234871 199.03676 C8H4Cl2N2 1 820.17 +16943 5009 M+NH4+CF3COOH 355037 371.299205 371.2976581645639 798.7263880187643 239.27252 C14H13N3O 1 810.9 +16946 3514 M+NH4+CF3COOH 141937 304.23490499999997 304.23475693376076 700.861961189452 172.20821999999998 C5H8N4OS 1 392.89 16949 6904 M+NH4+CF3COOH 617525 460.1310649999999 460.13251252036025 361.6899776583298 328.10437999999994 C13H7Cl2NO5 0 888.05 +16950 6039 M+NH4+CF3COOH 607062 420.33028499999995 420.3314424719004 932.8995632060205 288.30359999999996 C10H20N6O4 1 45.26 16951 5007 M+NH4+CF3COOH 176626 371.25614499999995 371.2578979323405 681.9704072476081 239.22945999999996 C13H9N3O2 1 590.07 16952 6270 M+NH4+CF3COOH 661174 430.31674499999986 430.3155306475271 692.4440720228172 298.29005999999987 C17H14O5 1 698.49 +16953 7503 M+NH4+CF3COOH 190233 493.314845 493.3151791476041 660.3940669120684 361.28816 C18H14Cl2N2S 1 1356.25 +16956 4783 M+NH4+CF3COOH 387391 360.2732649999999 360.2746348628635 616.7349930056237 228.24657999999997 C13H12N2O2 1 699.78 16957 2280 M+NH4+CF3COOH 441664 251.15068499999998 251.15030531560126 219.41506946490506 119.124 C6H5N3 1 462.4 16959 3689 M+NH4+CF3COOH 558536 311.16288499999996 311.1643659043198 654.1335324140849 179.13619999999997 C6H5N5O2 1 270.14 +16962 4604 M+NH4+CF3COOH 309924 352.24796499999997 352.2479504952683 662.038993725132 220.22127999999998 C12H12O4 1 669.73 +16963 4920 M+NH4+CF3COOH 421835 367.222845 367.2224885187961 374.2171439639379 235.19616000000002 C10H9N3O4 1 713.71 16964 5164 M+NH4+CF3COOH 578120 379.2484882 379.24717487816883 627.7610487620184 247.22180319999998 C13H10FNO3 1 708.11 +16965 5947 M+NH4+CF3COOH 230948 416.2985249999999 416.2994030437786 536.9554518801785 284.27183999999994 C10H16N6O4-- 0 683.23 16966 5948 M+NH4+CF3COOH 230948 416.2985249999999 416.30054959061874 524.0130965771912 284.27183999999994 C10H16N6O4-- 0 683.23 +16968 6427 M+NH4+CF3COOH 221782 438.3405049999999 438.3414532486861 862.6410011768047 306.3138199999999 C15H18N2O5 1 737.86 16971 4604 M+NH4+CF3COOH 608852 352.247965 352.2479504952683 662.038993725132 220.22128000000004 C12H12O4 1 709.04 +16972 4444 M+NH4+CF3COOH 710345 344.315385 344.31540077827043 875.2712181239808 212.2887 C11H20N2O2 1 88.67 +16973 5781 M+NH4+CF3COOH 125070 408.3112249999999 408.3100092958208 673.7902641387295 276.28453999999994 C15H16O5 1 843.5 +16974 1772 M+NH4+CF3COOH 685012 226.18098499999996 226.180289050129 780.1064465968182 94.15429999999999 C7H10 1 767.61 +16975 7792 M+NH4+CF3COOH 385846 510.288525 510.2907641876083 657.0682982518812 378.26184 C21H16BrNO 1 1031.83 +16976 2493 M+NH4+CF3COOH 254043 261.22678499999995 261.22553315635423 596.2810640499068 129.2001 C7H15NO 1 73.08 +16977 4115 M+NH4+CF3COOH 56287 329.21462499999996 329.2150962154558 444.7541593512129 197.18794 C9H11NO4 1 519.44 +16980 2489 M+NH4+CF3COOH 288290 261.183725 261.1848870270874 585.0673809010664 129.15704 C6H11NO2 1 645.51 16981 1547 M+NH4+CF3COOH 26131 214.12722499999998 214.12685355400706 242.92867397578198 82.10054 C5H6O 1 596.71 +16983 6180 M+NH4+CF3COOH 592903 427.161925 427.1599002162125 546.9479249754545 295.13524 C11H11BrN4O 1 714.54 +16984 4318 M+NH4+CF3COOH 40174 338.26928499999997 338.26821672167034 725.1323262762153 206.24259999999998 C14H10N2 1 916.4 16987 7532 M+NH4+CF3COOH 641807 495.21949459999985 495.22178908500314 610.7380589983305 363.19280959999986 C14H10BrF3OS 1 1295.91 +16993 5694 M+NH4+CF3COOH 241772 403.322426 403.3208919282922 749.3613816479217 271.295741 C12H22N3O2P 1 606.88 16995 6230 M+NH4+CF3COOH 586092 429.1600849999999 429.1609605279423 319.2040505427393 297.13339999999994 C14H10Cl2O3 1 1041.24 +16996 4734 M+NH4+CF3COOH 123248 358.26068499999997 358.25913043133284 590.5564780775951 226.23399999999998 C12H10N4O 1 614.07 +17001 3072 M+NH4+CF3COOH 426056 286.146825 286.14754678426226 372.54799795561905 154.12014 C7H6O4 1 612.15 17005 5210 M+NH4+CF3COOH 488862 382.24431459999994 382.2432200982364 606.609484487095 250.21762959999995 C10H13F3N2O2 1 862.56 +17006 3269 M+NH4+CF3COOH 301999 294.215185 294.2141627225186 675.260186049696 162.1885 C9H10N2O 1 453.34 +17007 4730 M+NH4+CF3COOH 26536 358.207945 358.2072681195887 349.652390336072 226.18126 C7H14O8 1 262.81 17009 4486 M+NH4+CF3COOH 334069 346.24668499999996 346.24535421252546 462.5112928224437 214.21999999999997 C12H10N2O2 1 660.7 +17011 3052 M+NH4+CF3COOH 480088 285.20512499999995 285.20625707703635 1114.1408790130145 153.17844 C8H11NO2 1 716.41 17012 4210 M+NH4+CF3COOH 522334 333.335805 333.3343089104253 803.1575353386429 201.30912 C10H23N3O 1 162.36 +17013 4258 M+NH4+CF3COOH 299714 335.242345 335.24262178650577 672.563661348239 203.21565999999999 C7H9NO4S 1 65.14 17014 4105 M+NH4+CF3COOH 83656 329.123345 329.12271025211373 476.2531769340637 197.09665999999999 C4H9BrN2S 0 108.8 +17015 3530 M+NH4+CF3COOH 675299 305.12534819999996 305.1241376546814 325.0625906390997 173.0986632 C6H4FNO4 1 430.86 +17016 5312 M+NH4+CF3COOH 537351 387.180885 387.18036577683694 691.0468125737514 255.15419999999997 C11H15BrN2 1 811.63 17017 5313 M+NH4+CF3COOH 537351 387.180885 387.18138739401513 664.4695698487935 255.15419999999997 C11H15BrN2 1 811.63 +17018 3404 M+NH4+CF3COOH 385619 300.21646499999997 300.21698604452666 522.9986547866195 168.18978 C9H12O3 1 673.31 17020 5450 M+NH4+CF3COOH 635545 392.2821945999999 392.2805026895923 761.5373614477919 260.2555095999999 C12H15F3N2O 1 572.05 17022 6352 M+NH4+CF3COOH 23307 434.20304500000003 434.20232226131105 427.8905992488231 302.17636000000005 C12H9Cl2NO2S 0 987.92 +17024 4585 M+NH4+CF3COOH 587608 351.2383882 351.2382437685176 414.38596925720196 219.2117032 C12H10FNO2 1 649.68 17025 5866 M+NH4+CF3COOH 505962 412.3047649999999 412.3048856564629 719.1418826770237 280.27807999999993 C16H12N2O3 1 936.51 +17026 6362 M+NH4+CF3COOH 366381 434.35334499999993 434.3529142295407 534.1651492485643 302.32665999999995 C19H14N2O2 1 902.3 17028 3309 M+NH4+CF3COOH 699775 296.20630499999993 296.20688605082887 388.56463351724324 164.17961999999997 C5H8O4S 1 586.78 17030 3568 M+NH4+CF3COOH 81566 306.1896545999999 306.1911180834354 524.0891626047774 174.16296959999994 C9H9F3 1 953.7 +17033 5674 M+NH4+CF3COOH 537740 403.12940499999996 403.12749162426275 756.7020225374163 271.10272 C10H8Cl2N4O 1 821.3 +17034 2709 M+NH4+CF3COOH 553390 270.15402499999993 270.15325564446033 384.14569634609757 138.12733999999998 C5H6N4O 1 328.21 17037 3870 M+NH4+CF3COOH 550258 319.137325 319.136194961566 437.4826033323051 187.11064 C6H16Cl2N2 1 126.27 +17039 6367 M+NH4+CF3COOH 61084 435.18780499999997 435.1862069442584 406.11167668939026 303.16112 C12H8Cl2O3S 1 1016.77 +17040 7967 M+Na+CF3COOH 548800 520.33048 520.3301374042223 616.5199480064488 383.34839999999997 C14H25NO11 1 606.42 +17046 7103 M+Na+CF3COOH 98329 471.22022 471.2186901784451 423.78834515780443 334.23814 C15H21Cl2NO3 1 1042.81 +17052 3329 M+Na+CF3COOH 509211 297.15469999999993 297.15333298961673 338.8308008594549 160.17261999999997 C9H8N2O 1 394.35 +17053 12716 M+Na+CF3COOH 849342 1073.9566800000007 1073.960634973334 366.58259460690385 936.9746000000007 C56H40O12S 1 1760.32 17054 4380 M+Na+CF3COOH 412758 341.2337 341.23216335817716 607.2675474729152 204.25161999999997 C9H8N4S 1 365.5 17055 7845 M+Na+CF3COOH 731346 513.84256 513.8437497319644 1245.174406785813 376.86048 C17H17ClN4O2S 1 719.36 +17056 4178 M+Na+CF3COOH 183447 332.18057999999996 332.18132764971296 343.3627804373082 195.1985 C7H5N3O2S 1 581.12 17057 5956 M+Na+CF3COOH 66531 417.08641 417.0846991592669 881.9238538181467 280.10433 C12H9I 0 1014.33 +17063 3589 M+Na+CF3COOH 381567 307.12758099999996 307.12905385613925 430.17702517009826 170.145501 C8H11O2P 0 652.04 17064 6172 M+Na+CF3COOH 702285 426.30997999999994 426.31062852696186 715.6392291470244 289.32789999999994 C19H15NO2 1 1011.86 +17066 7748 M+Na+CF3COOH 212516 508.18852 508.18738974033295 952.4276230648634 371.20644 C13H11BrN2O4S 1 835.03 +17067 3349 M+Na+CF3COOH 371666 298.18252 298.1838250528029 549.0367250896786 161.20044000000001 C10H11NO 1 663.3 +17072 4686 M+Na+CF3COOH 378945 356.17553999999996 356.1753843833638 662.3819150166789 219.19346 C11H9NO4 1 597.54 17075 3790 M+Na+CF3COOH 557517 315.21633999999995 315.21669206425696 615.7944045915042 178.23425999999995 C9H14N4 1 196.06 17076 4714 M+Na+CF3COOH 199592 357.19356959999993 357.19414592947004 390.8013284439141 220.21148959999996 C9H7F3OS 1 924.4 +17078 4620 M+Na+CF3COOH 415011 353.22126 353.2220854692268 633.3898444555476 216.23917999999998 C11H12N4O 1 243.61 +17079 3402 M+Na+CF3COOH 493705 300.1984 300.199536925629 693.0017098982809 163.21632 C10H13NO 1 460.64 +17080 4886 M+Na+CF3COOH 716604 365.25356 365.25321606841965 651.2137970359599 228.27148 C8H12N4O2S 1 631.35 +17081 3049 M+Na+CF3COOH 295719 285.18222000000003 285.18094456196917 482.4475210130564 148.20014 C7H16O3 1 597.01 +17083 4063 M+Na+CF3COOH 226645 327.17913999999996 327.17996013053374 551.3265654999107 190.19706 C7H14N2O4 1 632.26 17084 4758 M+Na+CF3COOH 184055 359.22407999999996 359.22562477547297 491.7102068380292 222.242 C14H10N2O 1 874.23 +17085 5090 M+Na+CF3COOH 314655 375.20000100000004 375.2008528085015 593.3616891532351 238.21792100000002 C9H19O5P 1 758.81 17086 2794 M+Na+CF3COOH 116998 274.11806 274.11863099361585 283.182085649649 137.13598 C7H7NO2 1 245.93 17087 7808 M+Na+CF3COOH 122516 511.3250399999998 511.3271805184701 693.5574959917478 374.3429599999998 C22H14O6 1 808.34 +17088 3666 M+Na+CF3COOH 539591 310.15016 310.1489390745581 461.45315233122955 173.16808 C10H7NO2 1 398.61 +17089 3667 M+Na+CF3COOH 539591 310.15016 310.1507702055656 228.01033218179055 173.16808 C10H7NO2 1 398.61 +17091 3905 M+Na+CF3COOH 382778 320.23109999999997 320.23002356237913 670.9677246544445 183.24901999999997 C13H13N 1 704.77 17093 6485 M+Na+CF3COOH 699839 441.17680099999995 441.17528164251326 540.1986748374791 304.19472099999996 C13H9N2O5P 0 779.79 +17096 4247 M+Na+CF3COOH 511273 335.16138 335.16047629793275 426.00885480185667 198.1793 C7H10N4O3 1 491.95 +17097 4258 M+Na+CF3COOH 397452 335.24244 335.24262178650577 672.563661348239 198.26035999999996 C14H14O 1 915.6 17100 3192 M+Na+CF3COOH 493450 291.14527999999996 291.14469134786407 427.1616634492247 154.1632 C8H10O3 1 688.6 17103 2709 M+Na+CF3COOH 144105 270.15254 270.15325564446033 384.14569634609757 133.17046 C8H9N2+ 1 678.89 17104 5572 M+Na+CF3COOH 289896 398.068041 398.0675349404349 167.9964772180288 261.085961 C7H15Cl2N2O2P 0 668.27 17105 4312 M+Na+CF3COOH 328922 338.18186 338.1804156794188 509.3246630025488 201.19977999999998 C7H7NO4S 1 509.45 17109 5770 M+Na+CF3COOH 100703 408.13238 408.1318157285554 476.81841847544115 271.1503 C12H15BrO2 0 1066.69 +17110 5004 M+Na+CF3COOH 686326 371.2284 371.2283015023992 426.41045083459574 234.24632000000003 C10H18O6 1 569.59 +17111 3839 M+Na+CF3COOH 588691 317.23222 317.2320340015865 682.513500710569 180.25014000000002 C9H16N4 1 151.75 +17112 6689 M+Na+CF3COOH 380707 450.17390000000006 450.17542086582864 489.8998864756223 313.19182000000006 C16H13BrN2 1 1165.4 +17118 8953 M+Na+CF3COOH 518021 588.2816700000001 588.2845337500274 488.34988905860695 451.29959 C23H18INO 1 1114.68 +17120 3079 M+Na+CF3COOH 19085 286.21488 286.21614065698174 803.013443709219 149.2328 C10H15N 1 424.8 17124 2607 M+Na+CF3COOH 348039 266.13912 266.13839110984094 434.67177363234947 129.15704 C6H11NO2 1 605.88 +17125 2686 M+Na+CF3COOH 475230 269.20596 269.20516303863724 489.0515271327743 132.22387999999998 C6H12OS 1 658.46 17127 4603 M+Na+CF3COOH 281719 352.23319999999995 352.23285828495335 703.9757656475439 215.25111999999996 C12H13N3O 1 616.76 +17131 6022 M+Na+CF3COOH 21715 419.3173399999999 419.3156546938412 1094.6884551755315 282.3352599999999 C21H14O 1 1136.62 17132 4012 M+Na+CF3COOH 195921 325.1648 325.164053958318 603.695073719243 188.18272000000002 C10H8N2O2 1 493.61 +17133 3531 M+Na+CF3COOH 108390 305.13210000000004 305.13129495441416 343.5893798722609 168.15002 C7H8N2O3 0 547.94 +17135 2353 M+Na+CF3COOH 4456 255.11318 255.11258337196352 499.14621833176807 118.13109999999999 C5H10O3 1 604.73 +17137 5278 M+Na+CF3COOH 32873 385.25982 385.25841788775466 676.9532638960766 248.27773999999997 C13H16N2O3 1 564.73 17138 3736 M+Na+CF3COOH 567238 313.15409999999997 313.15272098467096 480.74429165255543 176.17202 C9H8N2O2 1 467.72 +17139 3160 M+Na+CF3COOH 667471 289.21551999999997 289.21617168577785 608.7560461428668 152.23344 C10H16O 1 939.05 +17141 5598 M+Na+CF3COOH 123163 399.20357999999993 399.20178284335697 556.0806069035715 262.22149999999993 C11H10N4O4 1 559.28 17142 4759 M+Na+CF3COOH 665728 359.24238 359.24328860428415 685.046918586807 222.26030000000003 C11H10O3S 1 797.1 17143 11087 M+Na+CF3COOH 852562 819.6929600000001 819.6935116463188 1180.6340161796963 682.7108800000001 C36H42O13 0 1005.35 17144 5093 M+Na+CF3COOH 614851 375.22348 375.22255514597794 282.7092345644329 238.24139999999997 C14H10N2O2 1 664.41 17148 7099 M+Na+CF3COOH 363019 471.11563 471.117122660458 202.41786095578652 334.13355 C9H7IN2O2S 0 860.23 +17149 3743 M+Na+CF3COOH 417340 313.23692000000005 313.2370155937335 655.3386216817407 176.25484000000003 C12H16O 1 933.35 17150 7085 M+Na+CF3COOH 97481 470.20329999999996 470.20184280325105 526.5859398028956 333.22121999999996 C20H13Br 0 1098.8 17151 5428 M+Na+CF3COOH 603713 391.30416 391.3033392131738 642.4355850331926 254.32208000000003 C14H22O4 1 901.62 +17154 5317 M+Na+CF3COOH 270225 387.23593999999997 387.2365993177801 585.2969470937688 250.25385999999997 C11H14N4O3 1 641.35 17155 5318 M+Na+CF3COOH 270225 387.23593999999997 387.23762180878146 534.9451794243923 250.25385999999997 C11H14N4O3 1 641.35 +17156 4421 M+Na+CF3COOH 625182 343.22314 343.22317633524926 477.0670294045764 206.24106 C11H14N2O2 1 647.79 +17157 5631 M+Na+CF3COOH 410826 401.14304 401.143957518969 419.2354053579574 264.16096 C13H14BrN 1 945.01 +17158 4694 M+Na+CF3COOH 352444 356.26496 356.2667333533176 710.9589842094038 219.28287999999998 C12H17N3O 1 589.15 +17159 4161 M+Na+CF3COOH 239668 331.18922 331.1900585986367 682.0697558215423 194.20714 C9H6O3S 1 723.85 +17161 6293 M+Na+CF3COOH 427802 431.3264999999999 431.3258886671701 746.1080052359359 294.3444199999999 C19H18O3 1 811.04 +17162 6294 M+Na+CF3COOH 427802 431.3264999999999 431.3283005059203 674.661783118072 294.3444199999999 C19H18O3 1 811.04 +17165 4999 M+Na+CF3COOH 382365 371.19018 371.1884725195009 433.3668861459115 234.2081 C11H10N2O4 1 666.46 +17167 1992 M+Na+CF3COOH 607462 237.09789999999998 237.09810623247378 292.517744130245 100.11582 C5H8O2 1 454.18 +17168 5523 M+Na+CF3COOH 309289 395.25133999999997 395.2529824193143 434.95937228582346 258.26926 C15H14O4 1 705.44 +17170 3433 M+Na+CF3COOH 61400 301.18316000000004 301.18387284493406 425.3000076698384 164.20108000000002 C10H12O2 1 740.75 +17171 5297 M+Na+CF3COOH 641278 386.2197632 386.21811230267076 460.8568427313891 249.2376832 C13H12FNO3 1 1000.54 17173 1808 M+Na+CF3COOH 348634 228.105685334 228.10571502249658 312.1602824326442 91.12360533399999 C4H5D3O2 1 548.66 +17174 1765 M+Na+CF3COOH 324561 226.11831999999998 226.11874724637332 231.44386428864567 89.13623999999999 C4H11NO 1 22.5 +17175 8964 M+Na+CF3COOH 98026 589.1219199999999 589.1202427892777 925.1792200563609 452.13983999999994 C18H16Br2N2O2 1 888 +17176 8965 M+Na+CF3COOH 98026 589.1219199999999 589.1221591355677 922.67455888052 452.13983999999994 C18H16Br2N2O2 0 888 +17177 3017 M+Na+CF3COOH 562250 284.15923999999995 284.1602999994579 319.92549500540207 147.17716 C8H9N3 1 316.66 17178 6524 M+Na+CF3COOH 863538 443.1288400000001 443.1280900203815 248.85266643933204 306.1467600000001 C14H9Cl2N3O 1 793.77 +17180 5557 M+Na+CF3COOH 274506 397.1844 397.18443713563306 504.5492325012241 260.20232 C12H8N2O5 1 462.94 +17181 5558 M+Na+CF3COOH 274506 397.1844 397.1854947330198 500.3945792845512 260.20232 C12H8N2O5 1 462.94 +17184 5139 M+Na+CF3COOH 660217 378.1368 378.1382779314307 447.9571375252358 241.15472 C10H18Cl2O2 0 1139.89 17189 5738 M+Na+CF3COOH 381968 406.1165 406.11567388862966 465.4917794405163 269.13442 C12H13BrO2 0 878.54 17190 3923 M+Na+CF3COOH 102116 321.17126 321.1697974644998 602.829775495594 184.18918000000002 C9H12O4 1 703.51 17192 4351 M+Na+CF3COOH 388398 340.18273999999997 340.1836966931201 479.49085275404275 203.20065999999997 C9H9N5O 1 616.14 17193 6924 M+Na+CF3COOH 549855 461.3127199999999 461.31090873742664 500.0414070780492 324.3306399999999 C18H16N2O4 1 823.85 17194 3238 M+Na+CF3COOH 295725 293.1181 293.11689668549434 329.1181116762668 156.13602 C7H8O4 1 417.87 +17196 7396 M+Na+CF3COOH 671367 487.3069399999999 487.3049248249281 673.5220871342251 350.3248599999999 C19H14N2O5 0 892.06 17197 3402 M+Na+CF3COOH 170630 300.1984 300.199536925629 693.0017098982809 163.21632 C10H13NO 1 470.09 +17201 5609 M+Na+CF3COOH 46438 400.16794100000004 400.1689499821627 423.8784150188226 263.18586100000005 C12H10NO4P 0 711.44 17202 6108 M+Na+CF3COOH 134740 423.26143999999994 423.25962836706066 705.753083862168 286.27935999999994 C16H14O5 1 834.89 +17203 6826 M+Na+CF3COOH 403086 456.3177999999999 456.31674908299004 650.1395791008738 319.3357199999999 C14H13N3O4S 1 666.8 +17204 3930 M+Na+CF3COOH 106142 321.21586 321.2171541597469 623.5785211798537 184.23378 C13H12O 1 1006.13 +17205 6097 M+Na+CF3COOH 564971 423.12710000000004 423.1276110417523 345.4367484024328 286.14502000000005 C10H8BrNO2S 1 1077.92 +17206 4332 M+Na+CF3COOH 484539 339.20632319999993 339.2074470142673 822.4541724990602 202.22424319999996 C13H11FO 1 1080.08 +17207 2937 M+Na+CF3COOH 202055 281.10082639999996 281.09951070715164 314.16494805346116 144.1187464 C7H6F2O 1 783.6 17212 8142 M+Na+CF3COOH 494519 532.2767223999998 532.2750567073139 531.5886965079798 395.2946423999998 C16H8F7NOS 1 723.76 17213 5418 M+Na+CF3COOH 357352 391.24778 391.2462183612117 657.9664680804007 254.26569999999998 C9H10N4O3S 1 615.29 +17214 5419 M+Na+CF3COOH 357352 391.24778 391.24725492946766 700.4583225238423 254.26569999999998 C9H10N4O3S 1 615.29 +17215 5420 M+Na+CF3COOH 357352 391.24778 391.24829332489594 700.7552233655313 254.26569999999998 C9H10N4O3S 1 615.29 +17217 5007 M+Na+CF3COOH 738158 371.25968 371.2578979323405 681.9704072476081 234.27759999999998 C10H10N4OS 1 627.31 +17218 3402 M+Na+CF3COOH 13198 300.1984 300.199536925629 693.0017098982809 163.21632 C10H13NO 1 690.12 +17221 1780 M+Na+CF3COOH 46177 227.06332 227.06370096161982 989.9010019181501 90.08124000000001 C2H6N2O2 1 250.8 +17222 7808 M+Na+CF3COOH 733058 511.32714000000004 511.3271805184701 693.5574959917478 374.34506000000005 C19H29Cl2NO2 1 901.37 +17223 3147 M+Na+CF3COOH 361759 289.12940000000003 289.12984525525053 464.38109553773023 152.14732 C8H8O3 1 671.77 +17224 4022 M+Na+CF3COOH 313653 325.24762 325.2482814238154 469.0278225983089 188.26554 C13H16O 1 912.01 +17226 2480 M+Na+CF3COOH 300034 261.1226 261.1236102920854 403.30966009675046 124.14051999999998 C6H8N2O 1 39.12 +17228 6039 M+Na+CF3COOH 228314 420.33029999999997 420.3314424719004 932.8995632060205 283.34821999999997 C15H13N3OS 1 754.5 17229 3343 M+Na+CF3COOH 367738 298.13946 298.1408287999024 254.669884834341 161.15738000000002 C9H7NO2 1 679.35 17230 3433 M+Na+CF3COOH 670813 301.18316000000004 301.18387284493406 425.3000076698384 164.20108000000002 C10H12O2 1 828.15 +17233 4396 M+Na+CF3COOH 669589 342.1705032 342.17011288657983 737.3821595515674 205.1884232 C10H8FN3O 1 651.86 +17234 4350 M+Na+CF3COOH 95846 340.17614 340.1752782152968 334.2288951247011 203.19405999999998 C11H9NO3 1 652.51 +17235 2965 M+Na+CF3COOH 329620 282.14336000000003 282.1445824615179 341.8716641012134 145.16128 C8H7N3 1 584.27 17237 7748 M+Na+CF3COOH 183176 508.18852 508.18738974033295 952.4276230648634 371.20644 C13H11BrN2O4S 1 823.16 +17238 5053 M+Na+CF3COOH 682039 373.27225999999996 373.2738536681839 696.8929751432281 236.29018 C11H12N2O2S 1 746.26 +17243 3127 M+Na+CF3COOH 546369 288.191 288.1914904648852 302.1227253905477 151.20891999999998 C8H13N3 1 113.1 +17249 3160 M+Na+CF3COOH 371110 289.21551999999997 289.21617168577785 608.7560461428668 152.23344 C10H16O 1 757.27 +17253 6905 M+Na+CF3COOH 570079 460.178601 460.1801942608725 560.6435070455211 323.196521 C9H14N3O8P 1 195.8 +17254 7710 M+Na+CF3COOH 331779 505.40988000000004 505.41027474957343 1066.0875835426784 368.42780000000005 C24H20N2O2 1 1002.09 17258 3485 M+Na+CF3COOH 61947 303.1984496 303.19938196669517 393.06162897374315 166.21636959999998 C6H9F3Si 1 1010.62 17259 2582 M+Na+CF3COOH 617179 265.15436 265.1547417718887 371.1589467498738 128.17228 C6H12N2O 1 130.66 +17260 4170 M+Na+CF3COOH 595620 332.0963928 332.0970536810327 260.6520336005793 195.1143128 C7H5F4NO 1 682.18 +17261 2280 M+Na+CF3COOH 17493 251.15091999999999 251.15030531560126 219.41506946490506 114.16883999999999 C4H6N2S 1 306.45 17263 7595 M+Na+CF3COOH 192207 498.23676 498.2345458123668 535.2308643284072 361.25468 C13H17BrN2O3S 1 711.5 17264 8099 M+Na+CF3COOH 435863 529.4282000000001 529.4274673295146 1121.4993799025142 392.44612 C20H28N2O6 1 763.35 +17266 7864 M+Na+CF3COOH 101477 514.37204 514.3724648421758 1059.51660062239 377.3899599999999 C22H19NO5 0 1059.45 17267 7865 M+Na+CF3COOH 101477 514.37204 514.3740291820923 1046.0514155424073 377.3899599999999 C22H19NO5 1 1059.45 +17268 3075 M+Na+CF3COOH 636071 286.17182 286.173042452785 571.4023680580292 149.18974000000003 C9H11NO 1 813.49 +17269 4423 M+Na+CF3COOH 218562 343.24627999999996 343.2479211637973 633.293628403718 206.2642 C10H10N2OS 1 578.83 +17270 4843 M+Na+CF3COOH 114004 363.25100000000003 363.2507985776617 862.447238808849 226.26892000000004 C12H18O4 1 840.89 +17272 3541 M+Na+CF3COOH 111478 305.21492 305.21513803666653 426.6192849994471 168.23284 C10H16O2 1 751.74 +17273 5977 M+Na+CF3COOH 24096 417.3014599999999 417.2996713777149 937.9807724605589 280.3193799999999 C21H12O 1 1055.07 +17274 5978 M+Na+CF3COOH 24096 417.3014599999999 417.3008112521985 705.4316368928987 280.3193799999999 C21H12O 1 1055.07 17278 5521 M+Na+CF3COOH 227626 395.2265231999999 395.22662223298045 546.5852909126902 258.2444431999999 C15H11FO3 1 928.94 17279 2355 M+Na+CF3COOH 700581 255.1347232 255.13403402760062 246.15071770633483 118.15264319999999 C5H11FN2 1 224.34 17280 3767 M+Na+CF3COOH 536143 314.26804000000004 314.268703906251 770.1116085724213 177.28596000000002 C12H19N 1 634.68 17284 4505 M+Na+CF3COOH 734824 347.25643999999994 347.25795473817874 625.0539129892377 210.27435999999994 C14H14N2 1 679.05 +17285 2499 M+Na+CF3COOH 43249 262.10735999999997 262.10776738242606 648.1802459037426 125.12527999999998 C6H7NO2 1 635.24 +17287 4267 M+Na+CF3COOH 486365 336.19074 336.1907931962661 457.08899106653485 199.20865999999998 C11H9N3O 1 650.64 17289 7477 M+Na+CF3COOH 111220 492.2423999999998 492.2436068733603 534.8574787051614 355.2603199999998 C12H13N5O8 1 410.62 +17290 2732 M+Na+CF3COOH 287460 271.11742 271.1176947983691 496.42745140657996 134.13533999999999 C7H6N2O 0 502.48 17296 4423 M+Na+CF3COOH 399146 343.24627999999996 343.2479211637973 633.293628403718 206.2642 C10H10N2OS 1 713.29 17297 5875 M+Na+CF3COOH 207219 413.25282100000004 413.2524497403473 629.4913848849883 276.27074100000004 C14H17N2O2P 1 615.74 +17301 4925 M+Na+CF3COOH 726713 367.28275999999994 367.2811999617223 938.3824146020279 230.30067999999997 C12H22O4 1 679.35 +17302 4843 M+Na+CF3COOH 36087 363.25254 363.2507985776617 862.447238808849 226.27046 C15H14O2 1 960.35 +17303 4844 M+Na+CF3COOH 36087 363.25254 363.2526533894427 605.9868091077733 226.27046 C15H14O2 1 960.35 17304 5178 M+Na+CF3COOH 718480 380.2433 380.243090218165 619.5881859021617 243.26121999999995 C13H13N3O2 1 515.02 +17305 6039 M+Na+CF3COOH 172407 420.33029999999997 420.3314424719004 932.8995632060205 283.34821999999997 C15H13N3OS 1 706.38 +17306 3533 M+Na+CF3COOH 201129 305.15034319999995 305.14938052654344 458.25267957071117 168.16826319999998 C8H9FN2O 1 541.69 17307 7220 M+Na+CF3COOH 400884 477.3949399999999 477.3927481775738 1049.4029785460207 340.4128599999999 C21H24O4 1 970.11 +17311 10077 M+Na+CF3COOH 55253 700.6250000000001 700.6251611386758 1236.7649386275657 563.6429200000001 C34H33N3O5 0 743.59 17313 6493 M+Na+CF3COOH 51265 441.28331999999995 441.2834827699352 723.907003279516 304.30123999999995 C14H16N4O4 0 641.96 17314 6494 M+Na+CF3COOH 51265 441.28331999999995 441.28472388412706 629.3271301267166 304.30123999999995 C14H16N4O4 0 641.96 +17315 3485 M+Na+CF3COOH 703333 303.19904 303.19938196669517 393.06162897374315 166.21696000000003 C10H14O2 1 798.45 +17316 5046 M+Na+CF3COOH 580566 373.1961864 373.19794334673037 702.3644731727693 236.21410639999996 C13H10F2O2 1 858.76 +17319 5148 M+Na+CF3COOH 422594 378.27047999999996 378.26934823247035 813.996601026355 241.28839999999997 C14H15N3O 1 402.32 +17320 7115 M+Na+CF3COOH 658577 471.34575999999987 471.3463622317392 645.4548786422945 334.3636799999999 C18H22O6 1 919.08 +17321 11014 M+Na+CF3COOH 848657 809.5905600000003 809.5877132090561 1127.0359550058247 672.6084800000003 C28H32O17S 0 711.36 +17323 4114 M+Na+CF3COOH 399643 329.19656 329.19559150954393 564.3155724837361 192.21447999999998 C10H12N2O2 1 699.2 +17324 4425 M+Na+CF3COOH 516912 343.2662 343.2672647889252 698.7259187656987 206.28412 C12H18N2O 1 113.92 +17325 4484 M+Na+CF3COOH 425525 346.22378000000003 346.2221690908057 390.3705189857218 209.2417 C11H15NO3 1 111.98 +17326 3556 M+Na+CF3COOH 126699 306.11686 306.1169980079219 409.77838492951355 169.13478 C7H7NO4 0 661.04 +17342 2706 M+Na+CF3COOH 631787 270.13266 270.13372316958913 377.29472831459776 133.15058 C7H7N3 1 635.1 +17347 5198 M+Na+CF3COOH 84490 381.3141800000001 381.31440935507504 783.0519257714881 244.33210000000005 C15H20N2O 1 712.11 +17349 3885 M+Na+CF3COOH 16502 319.28456 319.28395578945293 908.9856239264984 182.30248 C12H22O 1 811.87 +17351 9994 M+Na+CF3COOH 294352 689.6489400000002 689.6493461409459 249.1869026345209 552.6668600000002 C25H44N8O6 1 604.72 +17354 3433 M+Na+CF3COOH 177585 301.18316000000004 301.18387284493406 425.3000076698384 164.20108000000002 C10H12O2 1 761.42 +17355 5010 M+Na+CF3COOH 306827 371.31606 371.315094381972 1095.6975825113987 234.33398 C15H22O2 1 944.59 +17356 5300 M+Na+CF3COOH 724475 386.24942 386.2476451407622 869.7692583796397 249.26734 C15H11N3O 1 797.52 +17357 5055 M+Na+CF3COOH 180171 373.29371999999995 373.2944640024739 626.1930192132531 236.31163999999995 C16H16N2 1 706.94 +17359 4487 M+Na+CF3COOH 629092 346.24692000000005 346.2484520973121 523.4351529872496 209.26484000000002 C10H11NO2S 1 714.74 17360 5799 M+Na+CF3COOH 30657 409.2613 409.2616051596117 558.368701855877 272.27922 C13H8N2O3S 1 867.49 17366 6376 M+Na+CF3COOH 661174 435.27213999999987 435.27392936978913 666.4198132580468 298.29005999999987 C17H14O5 0 698.49 +17372 7596 M+Na+CF3COOH 190233 498.27024 498.2688780619164 619.3053252998595 361.28816 C18H14Cl2N2S 0 1356.25 17374 5920 M+Na+CF3COOH 168562 415.19638 415.1959972188788 508.0940523127056 278.2143 C13H10O7 1 693.04 +17375 3851 M+Na+CF3COOH 512136 318.17392 318.17323420771453 533.7721661699983 181.19184 C8H11N3O2 1 474.33 +17377 2751 M+Na+CF3COOH 439935 272.10547999999994 272.10632340626404 286.9591620144687 135.12339999999998 C6H5N3O 1 322.63 17378 5624 M+Na+CF3COOH 532047 400.68337999999994 400.68506939640577 212.35840460908022 263.70129999999995 C8H10ClN3O3S 1 545.22 +17381 5599 M+Na+CF3COOH 657771 399.24817999999993 399.2499534841343 804.490418688511 262.26609999999994 C15H10N4O 1 836.64 +17382 6723 M+Na+CF3COOH 102001 451.3594199999999 451.3607894027997 991.0440735170706 314.3773399999999 C15H26N2O5 1 629.87 +17383 6222 M+Na+CF3COOH 219814 428.32586 428.3268391864876 728.497055971972 291.34378 C19H17NO2 1 1007.33 17384 3800 M+Na+CF3COOH 558536 316.11827999999997 316.11688476913884 377.45837874239805 179.13619999999997 C6H5N5O2 0 270.14 +17385 3881 M+Na+CF3COOH 166713 319.22817999999995 319.22687314511995 664.0615192514915 182.24609999999998 C7H10N4S 1 624.44 17386 3712 M+Na+CF3COOH 204405 312.16604 312.1651737368091 340.8024388936645 175.18396 C10H9NO2 1 550.49 +17389 4845 M+Na+CF3COOH 255812 363.2558399999999 363.2576094049408 533.630461743579 226.27375999999992 C14H14N2O 1 104.3 17393 9202 M+Na+CF3COOH 501825 611.3962599999998 611.3976139609081 774.8326298060601 474.4141799999998 C23H22O11 1 735.33 17394 4785 M+Na+CF3COOH 546950 360.29342 360.2924915669361 936.796839614914 223.31134000000003 C13H21NO2 1 375.86 +17395 5254 M+Na+CF3COOH 25060 384.23199999999997 384.2310393484223 893.640693579406 247.24991999999997 C12H13N3O3 1 636.23 +17396 3905 M+Na+CF3COOH 335768 320.22956 320.23002356237913 670.9677246544445 183.24748 C10H17NO2 1 821.26 +17397 7215 M+Na+CF3COOH 121754 477.30881999999974 477.3084816646631 421.01660874785705 340.32673999999975 C19H16O6 0 818.25 +17398 7216 M+Na+CF3COOH 121754 477.30881999999974 477.30982953751 559.3431711068281 340.32673999999975 C19H16O6 1 818.25 +17399 4509 M+Na+CF3COOH 614240 348.089571 348.08974012587004 495.54611094311866 211.10749099999998 C7H9NaO4P+ 1 93.17 +17400 4599 M+Na+CF3COOH 513018 352.18684 352.1862462798601 403.21286476482715 215.20476000000002 C12H9NO3 1 503.93 +17401 3009 M+Na+CF3COOH 437704 284.11288 284.11274043545376 411.37306400589165 147.1308 C8H5NO2 1 690.78 +17402 4690 M+Na+CF3COOH 254026 356.21860000000004 356.2176064660185 415.98183127807255 219.23652 C12H13NO3 1 802.15 17403 4314 M+Na+CF3COOH 414654 338.20662 338.2060846248601 543.2020056977121 201.22454 C11H11N3O 1 556.55 17404 3712 M+Na+CF3COOH 139371 312.16604 312.1651737368091 340.8024388936645 175.18396 C10H9NO2 1 623.19 +17405 4714 M+Na+CF3COOH 316375 357.19465599999995 357.19414592947004 390.8013284439141 220.21257599999996 C6H9F5OSi 1 1074.8 17406 6018 M+Na+CF3COOH 728772 419.22813999999994 419.22694874232286 628.6363241895071 282.24605999999994 C13H14O7 1 729.78 17407 4686 M+Na+CF3COOH 281976 356.17554 356.1753843833638 662.3819150166789 219.19346000000002 C11H9NO4 1 725.37 +17409 6982 M+Na+CF3COOH 438849 464.33708 464.33711261506147 595.3055751018799 327.355 C10H20Cl2N2O2Si2 1 1131.78 +17410 4716 M+Na+CF3COOH 608852 357.20336000000003 357.2026844302875 589.6185238738242 220.22128000000004 C12H12O4 1 709.04 +17411 5193 M+Na+CF3COOH 523830 381.2348896 381.2350265082128 792.4214168750502 244.25280959999995 C13H15F3O 1 996.91 +17412 5304 M+Na+CF3COOH 276815 386.28888100000006 386.2894141448618 661.2746831328965 249.3068010000001 C12H26O3P+ 1 1120.07 17414 4059 M+Na+CF3COOH 488364 327.14444960000003 327.14365754441985 521.3399934414493 190.1623696 C9H9F3O 0 878.38 +17421 2615 M+Na+CF3COOH 254043 266.18218 266.18311084945935 628.9983772927749 129.2001 C7H15NO 1 73.08 +17422 6916 M+Na+CF3COOH 110608 461.18388 461.18329131836435 591.6734135465897 324.2018 C16H15Cl2NO2 0 948.33 +17424 6718 M+Na+CF3COOH 270997 451.27153999999985 451.27329906831505 609.9542174593496 314.28945999999985 C17H14O6 1 836.14 +17425 4086 M+Na+CF3COOH 381070 328.151641 328.15044347815984 235.07751604892198 191.169561 C9H10N3P 1 706.84 17426 2607 M+Na+CF3COOH 288290 266.13912 266.13839110984094 434.67177363234947 129.15704 C6H11NO2 1 645.51 +17428 3755 M+Na+CF3COOH 46834 314.14216 314.14200639724055 547.3775910061155 177.16008 C8H7N3O2 1 466.94 +17430 4394 M+Na+CF3COOH 245012 342.15556 342.1545156078396 453.3229062905726 205.17347999999998 C8H7N5O2 1 555.39 +17431 3737 M+Na+CF3COOH 688828 313.15739999999994 313.1570609799456 335.94310416393915 176.17531999999997 C8H8N4O 1 324.3 +17432 4293 M+Na+CF3COOH 317268 337.1755 337.17563185440855 418.22663788895164 200.19342 C11H8N2O2 1 653.08 17434 4804 M+Na+CF3COOH 414489 361.25826000000006 361.2591310433705 757.364010846508 224.27618000000004 C11H12O3S 1 742.3 +17435 7308 M+Na+CF3COOH 569017 482.33876959999986 482.34066973422443 964.836785826973 345.35668959999987 C17H22F3NO3 0 829.6 17438 3997 M+Na+CF3COOH 308443 324.26132 324.2612947862113 666.2713635218743 187.27924000000002 C10H21NO2 1 644.73 +17440 4335 M+Na+CF3COOH 327377 339.23443999999995 339.235953993484 604.6927154918378 202.25235999999998 C12H14N2O 1 660.51 +17442 4158 M+Na+CF3COOH 410220 331.16608 331.16481506452607 359.3287645502632 194.18400000000003 C10H10O4 1 672.57 +17443 4022 M+Na+CF3COOH 445193 325.24762 325.2482814238154 469.0278225983089 188.26554 C13H16O 1 901.38 17452 2576 M+Na+CF3COOH 383528 265.108 265.10725552024337 532.8710956679992 128.12592 C6H8O3 0 573.1 +17453 3836 M+Na+CF3COOH 345299 317.2057 317.2070129967029 509.96986485492806 180.22362 C9H8O2S 1 704.02 +17456 6528 M+Na+CF3COOH 704454 443.19174 443.1916225369174 496.6719371005444 306.20966 C15H9Cl2NS 1 1280.76 +17457 8875 M+Na+CF3COOH 864995 582.218362 582.2163230160565 519.2189222787404 445.23628199999996 C11H19N4O11P2- 1 621.59 +17462 4969 M+Na+CF3COOH 218670 369.34654 369.347738389845 712.3302495245753 232.36446000000004 C15H24N2 1 347.65 +17463 4887 M+Na+CF3COOH 320380 365.26842 365.26773567430456 803.3579147376099 228.28634 C15H16O2 1 1162.49 +17467 6535 M+Na+CF3COOH 342738 443.2645096 443.2629982081322 716.7035564307962 306.2824296 C16H13F3N2O 1 869.92 +17470 4158 M+Na+CF3COOH 346025 331.16608 331.16481506452607 359.3287645502632 194.18400000000003 C10H10O4 1 658.69 +17473 4824 M+Na+CF3COOH 254855 362.26778 362.2664025944398 736.2862599848947 225.28570000000002 C15H15NO 1 851.65 17474 4836 M+Na+CF3COOH 26536 363.16334 363.1620907477678 348.04543709112585 226.18126 C7H14O8 1 262.81 +17475 4837 M+Na+CF3COOH 26536 363.16334 363.1649425579121 433.0589909164414 226.18126 C7H14O8 1 262.81 +17476 5234 M+Na+CF3COOH 124083 383.24393999999995 383.2432500598592 546.813417925803 246.26185999999998 C13H14N2O3 1 704.17 +17478 2404 M+Na+CF3COOH 420237 257.17366 257.17490981471315 551.2211461306413 120.19158 C9H12 1 783.22 17479 6766 M+Na+CF3COOH 20821 454.16977999999995 454.1713179798192 376.74685505985474 317.18769999999995 C13H10Cl2O3S 0 1049.84 +17480 8346 M+Na+CF3COOH 486590 545.15064 545.149815653221 919.5093125865867 408.16855999999996 C16H24Br2O2 0 1322.75 +17482 4581 M+Na+CF3COOH 334069 351.20207999999997 351.2021396178888 474.4425892570945 214.21999999999997 C12H10N2O2 1 660.7 17485 3433 M+Na+CF3COOH 6409 301.18316000000004 301.18387284493406 425.3000076698384 164.20108000000002 C10H12O2 1 750.98 +17486 5436 M+Na+CF3COOH 537351 392.13627999999994 392.136668607776 508.2625921069505 255.15419999999997 C11H15BrN2 1 811.63 +17489 4258 M+Na+CF3COOH 351334 335.24252319999994 335.24262178650577 672.563661348239 198.26044319999997 C9H11FN2S 1 704.52 17490 3712 M+Na+CF3COOH 323429 312.16603999999995 312.1651737368091 340.8024388936645 175.18395999999998 C10H9NO2 1 672.89 +17492 3155 M+Na+CF3COOH 41295 289.17575999999997 289.1756500301031 375.2521932500783 152.19368 C8H12N2O 1 543.25 +17493 3009 M+Na+CF3COOH 251673 284.11288 284.11274043545376 411.37306400589165 147.1308 C8H5NO2 1 633.94 +17494 5209 M+Na+CF3COOH 121211 382.23106319999994 382.2301819305437 581.3315068371588 245.24898319999994 C14H12FNO2 1 821.87 +17495 4163 M+Na+CF3COOH 477775 331.21244 331.2111484639127 590.6045036450877 194.23036000000002 C10H14N2O2 1 597.77 17496 1696 M+Na+CF3COOH 299339 223.02826 223.0272308307657 289.43151549195056 86.04617999999999 C3H2O3 0 537.37 +17501 4999 M+Na+CF3COOH 594725 371.19017999999994 371.1884725195009 433.3668861459115 234.20809999999997 C11H10N2O4 1 624.12 +17505 3295 M+Na+CF3COOH 363629 295.26315999999997 295.26289164735294 883.0555311015071 158.28107999999997 C10H22O 1 832.98 +17509 4935 M+Na+CF3COOH 724048 368.15464 368.15345357372996 284.94641125603715 231.17256 C11H19Br 1 1261.79 17510 7065 M+Na+CF3COOH 287500 469.23859999999996 469.2373833137386 203.5466879813993 332.25651999999997 C13H18BrNO2S 1 992.95 17511 5473 M+Na+CF3COOH 730005 393.29676319999993 393.296921066019 1114.7254147453411 256.31468319999993 C17H17FO 1 1141.56 17513 8220 M+K+CF3COOH 548800 536.3044199999999 536.3054352368734 575.7892710042165 383.34839999999997 C14H25NO11 1 606.42 +17514 8221 M+K+CF3COOH 548800 536.3044199999999 536.307100708203 570.5791558767517 383.34839999999997 C14H25NO11 1 606.42 17515 6516 M+K+CF3COOH 87075 442.35187999999994 442.3514726835149 708.4224846371008 289.3958599999999 C15H19N3OS 1 767.97 17516 6517 M+K+CF3COOH 87075 442.35187999999994 442.35271355828564 732.1433812125659 289.3958599999999 C15H19N3OS 1 767.97 +17519 5524 M+K+CF3COOH 427482 395.25231999999994 395.2540388251731 537.5481822335548 242.29629999999997 C13H10N2OS 1 777.26 17521 6679 M+K+CF3COOH 353191 449.3394599999999 449.3372264145457 639.8557073997035 296.38343999999995 C18H16O2S 1 1200.14 +17525 3731 M+K+CF3COOH 509211 313.12863999999996 313.12805910108216 537.2069630145745 160.17261999999997 C9H8N2O 1 394.35 +17527 5166 M+K+CF3COOH 257568 379.29443999999995 379.29499800189046 698.8514950370466 226.33841999999996 C11H18N2OS 1 888.29 17528 5610 M+K+CF3COOH 535672 400.17782320000003 400.17754820293317 568.8853278641675 247.2218032 C13H10FNO3 1 745.95 +17532 4981 M+K+CF3COOH 638414 370.2212599999999 370.2220004882483 481.1686811911572 217.26523999999992 C16H11N 1 931.23 17533 4169 M+K+CF3COOH 736190 332.0429 332.0431221284749 266.19985971997204 179.08687999999998 C8H12Cl2 1 1026.63 +17534 5490 M+K+CF3COOH 284926 394.24112 394.24158659558816 534.3523967464989 241.28510000000003 C15H15NO2 1 607.23 +17536 3807 M+K+CF3COOH 534807 316.17564 316.17543260755207 297.5387214519453 163.21962 C9H13N3 1 174.57 +17537 5621 M+K+CF3COOH 367987 400.26884 400.2688723509415 552.3493927420355 247.31282000000002 C13H13NO2S 1 889 17538 5622 M+K+CF3COOH 367987 400.26884 400.2699476692529 568.031399664081 247.31282000000002 C13H13NO2S 1 889 17540 5577 M+K+CF3COOH 522937 398.1619432 398.16027658384223 175.86783450269127 245.20592319999997 C13H8FNO3 1 780.35 17541 5578 M+K+CF3COOH 522937 398.1619432 398.16347127711293 514.2351227732731 245.20592319999997 C13H8FNO3 1 780.35 17542 3387 M+K+CF3COOH 70259 300.09011999999996 300.0899848527166 402.2891056139882 147.1341 C7H5N3O 1 550.13 +17543 7915 M+K+CF3COOH 263773 517.3456799999999 517.3455473977525 738.1338109863069 364.3896599999999 C19H24O7 1 601.97 +17545 7311 M+K+CF3COOH 425219 482.34623999999985 482.3477832245401 690.1455829572759 329.3902199999999 C19H23NO4 1 270.98 +17546 4706 M+K+CF3COOH 256975 357.13484000000005 357.1332297262678 555.668951655275 204.17882000000003 C11H8O4 1 719.47 17547 4707 M+K+CF3COOH 256975 357.13484000000005 357.13617316922154 459.59782130083386 204.17882000000003 C11H8O4 1 719.47 +17548 3751 M+K+CF3COOH 633143 314.11186 314.1129605532796 535.1084578884646 161.15583999999998 C6H11NO4 1 78.47 +17551 7101 M+K+CF3COOH 287492 471.1859599999999 471.1843746018088 467.15669145488255 318.22993999999994 C12H16BrNO2S 1 968.43 +17553 5730 M+K+CF3COOH 697321 405.26376000000005 405.26368537503697 673.0239771376225 252.30774000000002 C17H16O2 1 1029.52 +17554 5192 M+K+CF3COOH 716604 381.22749999999996 381.22665761354835 522.893915799353 228.27148 C8H12N4O2S 1 631.35 +17555 6168 M+K+CF3COOH 82895 426.26635999999996 426.2669300982586 640.5994956130669 273.31034 C13H11N3O2S 0 686.69 +17558 4256 M+K+CF3COOH 504511 335.2214232 335.22182424458606 575.0643458020763 182.26540319999998 C6H15FO3Si 1 767.12 17559 7611 M+K+CF3COOH 262804 499.28887999999984 499.28982356754733 659.9042062807102 346.3328599999998 C21H14O5 1 1195.14 +17560 4197 M+K+CF3COOH 511803 333.1565 333.15512395671345 480.2581876844661 180.20048 C10H12O3 1 659.69 17561 3779 M+K+CF3COOH 486604 315.14452 315.14407280512495 474.4326733139866 162.1885 C9H10N2O 1 612.94 +17562 3780 M+K+CF3COOH 486604 315.14452 315.1456835783913 477.183915842628 162.1885 C9H10N2O 1 612.94 +17564 4177 M+K+CF3COOH 446232 332.17174 332.1706064176947 374.152312671061 179.21571999999998 C10H13NO2 1 672.33 +17565 4504 M+K+CF3COOH 218197 347.25257999999997 347.2541905786413 227.22960176954038 194.29656 C10H14N2S 1 718.4 17567 7135 M+K+CF3COOH 391249 473.2033799999999 473.20150791174 527.7534688699313 320.24735999999996 C15H14BrNS 1 1019.77 +17568 5322 M+K+CF3COOH 303814 387.25023999999996 387.2519382641854 790.5783932498837 234.29421999999997 C13H18N2O2 1 514.87 +17569 3681 M+K+CF3COOH 69705 311.11605999999995 311.1164953836389 236.80045652187863 158.16003999999998 C8H6N4 1 436.93 +17572 4585 M+K+CF3COOH 395789 351.23951999999997 351.2382437685176 414.38596925720196 198.2835 C13H10S 1 1083.56 17573 4796 M+K+CF3COOH 661921 361.1699 361.1685430203271 487.7188879324566 208.21388000000002 C10H12N2O3 1 342.95 +17574 6671 M+K+CF3COOH 253840 449.2302831999999 449.2309995149013 466.0404937592494 296.27426319999995 C12H9FN2O4S 0 759.86 +17576 4115 M+K+CF3COOH 328105 329.21415999999994 329.2150962154558 444.7541593512129 176.25813999999994 C11H16N2 1 164.19 +17580 6222 M+K+CF3COOH 551101 428.32529999999997 428.3268391864876 728.497055971972 275.36927999999995 C14H17N3OS 1 710.49 +17581 4029 M+K+CF3COOH 539591 326.1241 326.1235328706995 468.83669600018857 173.16808 C10H7NO2 1 398.61 +17582 3304 M+K+CF3COOH 551407 296.15062889 296.1493424851966 407.1885301471523 143.19460888999998 C8H5D5O2 1 689.73 +17583 5521 M+K+CF3COOH 22682 395.22763999999995 395.22662223298045 546.5852909126902 242.27161999999998 C11H18N2O4 1 669.32 17585 6378 M+K+CF3COOH 124770 435.31134 435.3092774157556 683.6377960409802 282.35532 C14H18O4S 1 825.61 +17587 7706 M+K+CF3COOH 241704 505.3166399999998 505.3157430405342 637.5476876877298 352.3606199999998 C20H18NO5+ 1 742.61 +17588 4583 M+K+CF3COOH 397452 351.21637999999996 351.21615993913923 645.1449745757029 198.26035999999996 C14H14O 1 915.6 17589 6084 M+K+CF3COOH 336577 422.17522959999997 422.17733612977304 183.62568562599466 269.21920959999994 C13H10F3NO2 1 924.7 17590 5858 M+K+CF3COOH 555479 412.2067663999999 412.2049203254371 593.0663588959217 259.2507463999999 C15H11F2NO 1 993.06 17592 4690 M+K+CF3COOH 664738 356.21804 356.2176064660185 415.98183127807255 203.26202 C7H13N3O2S 1 657.88 17596 4609 M+K+CF3COOH 493218 353.08444099999997 353.08413696653724 409.6972629245312 200.128421 C8H9O4P-- 0 626.45 +17597 4588 M+K+CF3COOH 320307 351.2579 351.2567941338304 798.2625412875738 198.30188 C12H22O2 1 1107.27 17601 5122 M+K+CF3COOH 666238 377.14454 377.14532200143293 407.5370615952761 224.18852 C6H8O7S 1 467.64 17606 4203 M+K+CF3COOH 588691 333.20616 333.2062920797834 604.5359428272982 180.25014000000002 C9H16N4 1 151.75 +17611 3459 M+K+CF3COOH 19085 302.18881999999996 302.1873936849592 341.28209577962195 149.2328 C10H15N 1 424.8 +17612 4730 M+K+CF3COOH 177653 358.20902 358.2072681195887 349.652390336072 205.25300000000001 C12H15NO2 1 700.08 +17613 3662 M+K+CF3COOH 638356 310.128 310.128102757469 338.0332552724465 157.17198 C9H7N3 1 601.46 +17614 4177 M+K+CF3COOH 16656 332.17174 332.1706064176947 374.152312671061 179.21572000000003 C10H13NO2 1 744.19 +17615 4353 M+K+CF3COOH 280384 340.19374000000005 340.19510812596076 521.5726025390655 187.23772000000002 C12H13NO 1 744.79 +17616 4509 M+K+CF3COOH 120162 348.08832 348.08974012587004 495.54611094311866 195.13230000000001 C7H5N3O4 1 642.33 +17618 4115 M+K+CF3COOH 408451 329.21416 329.2150962154558 444.7541593512129 176.25813999999997 C11H16N2 1 395.98 17620 5290 M+K+CF3COOH 171679 386.18265999999994 386.18144417846827 603.9664111487801 233.22663999999997 C10H11N5O2 1 675.64 +17621 5547 M+K+CF3COOH 540040 396.25545999999997 396.2566377158288 487.69156284607277 243.29943999999998 C12H21NO4 1 736.89 +17623 4289 M+K+CF3COOH 95378 337.1485 337.1495096751316 372.649942713436 184.19248000000002 C8H12N2O3 1 633.74 +17624 4578 M+K+CF3COOH 383684 351.17661999999996 351.17818212404103 622.8575503626814 198.22059999999996 C12H10N2O 0 680.4 +17625 5908 M+K+CF3COOH 432293 414.31534 414.3150157136072 1032.559317546963 261.35932 C16H23NO2 1 1241.72 17630 5643 M+K+CF3COOH 32873 401.23375999999996 401.23453385524107 598.4546603798605 248.27773999999997 C13H16N2O3 1 564.73 17633 4544 M+K+CF3COOH 359808 349.24202 349.24098076100734 432.9293063225497 196.286 C12H20O2 1 888.55 +17634 5091 M+K+CF3COOH 665728 375.21632 375.21483300077733 707.408336732706 222.26030000000003 C11H10O3S 1 797.1 +17636 11208 M+K+CF3COOH 852562 835.6669 835.6659964947171 1190.709640031607 682.7108800000001 C36H42O13 1 1005.35 17637 5124 M+K+CF3COOH 230852 377.17084 377.17176602414406 380.13074946239226 224.21481999999997 C13H8N2O2 1 596.14 17638 3300 M+K+CF3COOH 407523 296.09658 296.0953509036207 408.54109940058294 143.14056 C6H9NO3 1 128.72 +17639 5410 M+K+CF3COOH 614851 391.19741999999997 391.1963733579199 447.1856645541517 238.24139999999997 C14H10N2O2 1 664.41 17640 5144 M+K+CF3COOH 659163 378.22686 378.2269836573995 589.7627574355041 225.27084 C8H11N5OS 1 365.96 17641 4061 M+K+CF3COOH 666765 327.15522 327.1555388754599 294.08097122037685 174.1992 C10H10N2O 1 616.16 +17642 6901 M+K+CF3COOH 124325 459.35573999999997 459.35470896187906 811.830333031567 306.39972 C24H18 1 1049.69 17643 8085 M+K+CF3COOH 231390 528.3318599999999 528.3339339513138 626.4870133328099 375.3758399999999 C18H21N3O6 1 723.81 +17644 10456 M+K+CF3COOH 259166 745.6187000000001 745.6203398644886 1127.3230561730866 592.6626800000001 C30H32N4O7S 1 871.41 +17647 5955 M+K+CF3COOH 361183 416.91314 416.91215575559477 988.6669731386439 263.95712000000003 C8H8Br2 1 953.14 +17648 5026 M+K+CF3COOH 352444 372.23889999999994 372.237998092262 484.25499538190917 219.28287999999998 C12H17N3O 1 589.15 +17650 5941 M+K+CF3COOH 270702 416.24663999999996 416.24583728767766 713.3589567753237 263.29061999999993 C17H13NO2 1 1168.64 +17651 5942 M+K+CF3COOH 270702 416.24663999999996 416.24698178443043 699.2916811198476 263.29061999999993 C17H13NO2 1 1168.64 +17652 4177 M+K+CF3COOH 445873 332.17174 332.1706064176947 374.152312671061 179.21572000000003 C10H13NO2 1 744.37 17654 3158 M+K+CF3COOH 442407 289.19006 289.19099379384295 595.3692899884211 136.23404 C10H16 1 932.18 +17656 5311 M+K+CF3COOH 382365 387.16412 387.1650361243293 452.5385174215047 234.2081 C11H10N2O4 1 666.46 17657 4782 M+K+CF3COOH 383586 360.26795999999996 360.26714195739805 647.6974653073389 207.31193999999996 C13H21NO 1 810.96 +17658 7050 M+K+CF3COOH 77010 468.2765999999999 468.27861057288675 667.6571554949484 315.3205799999999 C17H17NO5 1 898.76 +17659 3869 M+K+CF3COOH 849101 319.12991999999997 319.1285446915778 338.67524299272355 166.1739 C9H10O3 1 680.8 +17660 5658 M+K+CF3COOH 641278 402.19370319999996 402.1939569411724 674.3115930973115 249.2376832 C13H12FNO3 0 1000.54 +17661 6071 M+K+CF3COOH 401630 421.35258 421.3518939631251 898.5128437765886 268.39655999999997 C18H24N2 1 666.77 17665 5955 M+K+CF3COOH 31157 416.91314 416.91215575559477 988.6669731386439 263.95712 C8H8Br2 1 973.01 17667 5942 M+K+CF3COOH 672611 416.2451 416.24698178443043 699.2916811198476 263.28908 C14H17NO4 1 657.11 17668 2676 M+K+CF3COOH 594091 269.1143 269.11306716923 253.52407591349453 116.15828 C6H12O2 1 330.44 +17669 5176 M+K+CF3COOH 67318 380.21454 380.2145736035136 515.0050458546457 227.25852 C14H13NO2 1 872.04 +17674 6945 M+K+CF3COOH 172861 462.31837999999993 462.320370816719 456.99691910534204 309.36235999999997 C18H19N3O2 1 841.43 +17677 8513 M+K+CF3COOH 870819 556.39008 556.3885594492093 1031.157724757611 403.43406 C15H29N7O6 1 601.35 +17678 4873 M+K+CF3COOH 340808 365.12720959999996 365.12743238988116 227.79599252549554 212.17118959999996 C10H7F3N2 1 686.63 17679 4950 M+K+CF3COOH 728317 369.1293128 369.1290407553996 347.68975386289736 216.1732928 C8H12F4O2 0 774.47 17680 7213 M+K+CF3COOH 549855 477.28665999999987 477.2846432989769 652.3208684086056 324.3306399999999 C18H16N2O4 1 823.85 17681 3496 M+K+CF3COOH 412295 304.07552 304.07406829513894 227.80569903091921 151.1195 C7H5NO3 1 433.7 17682 7773 M+K+CF3COOH 139519 509.34682 509.3469506531835 795.8374079595146 356.39079999999996 C16H20O7S 1 923.44 +17683 3632 M+K+CF3COOH 295725 309.09204 309.09325858426257 401.6997842182451 156.13602 C7H8O4 1 417.87 +17684 5621 M+K+CF3COOH 359304 400.26883999999995 400.2688723509415 552.3493927420355 247.31281999999996 C13H13NO2S 1 869.15 +17685 5622 M+K+CF3COOH 359304 400.26883999999995 400.2699476692529 568.031399664081 247.31281999999996 C13H13NO2S 1 869.15 17686 5071 M+K+CF3COOH 177716 374.20841999999993 374.20710221885565 614.4928449032723 221.25239999999997 C12H15NO3 1 658.33 +17687 5516 M+K+CF3COOH 504959 395.18282 395.1840503680155 313.17185306628295 242.22679999999997 C14H10O4 1 772.22 +17689 4496 M+K+CF3COOH 84739 347.18638 347.18508046968867 634.6227758160443 194.23036 C10H14N2O2 1 685.03 +17690 4173 M+K+CF3COOH 190109 332.12868000000003 332.12715613975365 279.1546225811252 179.17266000000004 C9H9NO3 1 666.32 17691 4575 M+K+CF3COOH 680755 351.1465674 351.1472732502989 366.59362249704793 198.19054739999996 C8H17F2OP 1 923.8 +17692 2121 M+K+CF3COOH 475630 244.06508 244.06397053825327 309.6061749009609 91.10906 C3H9NO2 0 206.36 +17695 5976 M+K+CF3COOH 435638 417.2976 417.29852882180194 811.33431015876 264.34158 C17H12OS 1 1080.69 17697 6851 M+K+CF3COOH 130347 457.29855999999995 457.29673654091687 660.8019304419436 304.34254 C19H16N2O2 1 842.76 +17698 6852 M+K+CF3COOH 130347 457.29855999999995 457.3006722729899 188.49403362607643 304.34254 C19H16N2O2 1 842.76 +17699 7991 M+K+CF3COOH 220064 521.3607632000001 521.3605669670067 974.2932681246552 368.4047432000001 C20H21FN4O2 1 617.92 17700 6440 M+K+CF3COOH 134740 439.23537999999996 439.2368962422463 522.2997405902618 286.27935999999994 C16H14O5 1 834.89 +17702 5351 M+K+CF3COOH 508498 389.119841 389.11878826568625 275.5819110349372 236.163821 C10H9N2O3P 0 476.37 17703 4668 M+K+CF3COOH 484539 355.18026319999996 355.1789457553447 463.2664246735632 202.22424319999996 C13H11FO 1 1080.08 17707 5256 M+K+CF3COOH 343989 384.2463 384.2477165894676 440.6588818828452 231.29028000000002 C14H17NO2 0 842.23 +17709 4730 M+K+CF3COOH 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655.1170414792645 182.30248 C12H22O 1 811.87 +17856 4012 M+K+CF3COOH 141937 325.16423999999995 325.164053958318 603.695073719243 172.20821999999998 C5H8N4OS 1 392.89 +17857 5367 M+K+CF3COOH 180171 389.26766 389.2661280916657 884.2442324090931 236.31163999999995 C16H16N2 1 706.94 17859 5369 M+K+CF3COOH 180171 389.26766 389.2681875309729 737.9755864550655 236.31163999999995 C16H16N2 1 706.94 17860 5370 M+K+CF3COOH 180171 389.26766 389.26922135951037 688.170257094859 236.31163999999995 C16H16N2 1 706.94 17862 3500 M+K+CF3COOH 114301 304.11858 304.11794936542645 527.4760135184519 151.16256 C8H9NO2 1 618.35 +17863 5173 M+K+CF3COOH 112180 380.18137999999993 380.18057798875884 539.1048537557543 227.22535999999994 C10H9N7 1 681.03 +17864 3983 M+K+CF3COOH 738588 324.10668 324.1076163570054 365.1125793960006 171.15066000000002 C7H9NO4 1 532.01 +17866 7376 M+K+CF3COOH 127920 486.29672000000005 486.29531600365453 681.4944137938658 333.3407 C19H15N3O3 1 844.73 17869 3821 M+K+CF3COOH 89678 317.1125 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C10H17N2O3P 1 658.46 17943 6736 M+K+CF3COOH 483396 452.32025999999996 452.32118797863666 1044.4939335941465 299.36423999999994 C18H21NO3 1 828.41 17944 6859 M+K+CF3COOH 20972 457.7241 457.7261440991916 331.17618849474513 304.76808 C17H17ClO3 1 1177.98 +17945 3324 M+K+CF3COOH 356250 297.10778 297.1078962281105 263.00164691747204 144.15176 C4H4N2O2S 1 165.01 +17949 3780 M+K+CF3COOH 301999 315.14452 315.1456835783913 477.183915842628 162.1885 C9H10N2O 1 453.34 +17950 6252 M+K+CF3COOH 288452 430.16928000000007 430.16943244111286 392.4362938034434 277.21326000000005 C11H14Cl2N2S 1 975.26 +17951 6253 M+K+CF3COOH 288452 430.16928000000007 430.17062576868375 358.9075515078557 277.21326000000005 C11H14Cl2N2S 1 975.26 +17952 4672 M+K+CF3COOH 507163 355.21168 355.2108353025064 607.5035075622493 202.25565999999998 C11H14N4 1 103.96 +17953 10267 M+K+CF3COOH 260589 723.4975400000002 723.4978109244962 710.8852289512879 570.5415200000002 C22H38N2O15 1 567.65 17954 5614 M+K+CF3COOH 425599 400.20264000000003 400.2044043251063 600.2002906192364 247.24662000000004 C13H13NO4 1 789.9 17955 4055 M+K+CF3COOH 389173 327.10732 327.10691233816783 441.04454671287954 174.15130000000002 C7H10O5 1 652.7 17956 6701 M+K+CF3COOH 169514 450.3092200000001 450.31003083601365 713.4578994430185 297.3532000000001 C20H15N3 1 1041.43 +17957 6702 M+K+CF3COOH 169514 450.3092200000001 450.3113162532193 699.6030337299568 297.3532000000001 C20H15N3 1 1041.43 +17958 5621 M+K+CF3COOH 592827 400.26884 400.2688723509415 552.3493927420355 247.31282000000002 C13H13NO2S 1 673.89 +17961 4914 M+K+CF3COOH 334069 367.17602 367.17514890172623 518.6825923712659 214.21999999999997 C12H10N2O2 1 660.7 +17962 3557 M+K+CF3COOH 480088 306.13446 306.1347387124868 327.9757541619531 153.17844 C8H11NO2 1 716.41 +17965 5049 M+K+CF3COOH 443770 373.22365999999994 373.2219679900631 551.7058483057893 220.26763999999994 C12H16N2O2 1 480.96 +17970 4583 M+K+CF3COOH 351334 351.21646319999996 351.21615993913923 645.1449745757029 198.26044319999997 C9H11FN2S 1 704.52 +17971 4084 M+K+CF3COOH 323429 328.13998 328.1389207697927 368.2883602054094 175.18395999999998 C10H9NO2 1 672.89 17972 5908 M+K+CF3COOH 276496 414.31687999999997 414.3150157136072 1032.559317546963 261.36086 C19H19N 1 1017.68 +17973 7143 M+K+CF3COOH 194532 473.29311999999993 473.2913117932549 705.7515903739916 320.3370999999999 C17H20O6 1 802.38 +17975 4496 M+K+CF3COOH 477775 347.18638 347.18508046968867 634.6227758160443 194.23036000000002 C10H14N2O2 1 597.77 +17978 5930 M+K+CF3COOH 45065 416.13752 416.13646727916205 455.7778478868716 263.1815 C7H5NO8S 1 424.91 17980 4056 M+K+CF3COOH 81566 327.11898959999996 327.11812004865754 240.6870759294118 174.16296959999994 C9H9F3 1 953.7 +17983 4706 M+K+CF3COOH 319507 357.13484000000005 357.1332297262678 555.668951655275 204.17882000000003 C11H8O4 1 686.1 +17985 3185 M+K+CF3COOH 553390 291.08335999999997 291.0821698287447 866.3796497450853 138.12733999999998 C5H6N4O 0 328.21 +17989 5243 M+K+CF3COOH 724048 384.12858 384.1284770448477 350.9616593858357 231.17256 C11H19Br 1 1261.79