Mercurial > repos > recetox > retip_train
view test-data/annotations-good.tsv @ 7:fc3e026406c5 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/retip commit 66741485c24076df17e4a87bdaa53ec04d1c8792"
| author | recetox |
|---|---|
| date | Tue, 09 Mar 2021 18:31:08 +0000 |
| parents | |
| children | e7771b3d6a40 |
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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 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 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 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 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 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 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 58 4565 M 344863 350.32815999999997 350.32652360880945 1047.5468196820598 350.32815999999997 C18H14N4O4 1 752.27 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 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 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 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 99 5017 M 67505 372.15838999999994 372.1586597148011 388.8830446040864 372.15838999999994 C13H13IN2O3 0 640.46 115 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 1 733.14 122 2555 M-H2O-H 418708 264.14260999999993 264.14306731025636 366.41987898883195 283.16099999999994 C13H15BrO2 1 1235.38 130 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 1 696.63 138 11196 M-H2O-H 288747 834.6049730000002 834.606969222579 771.6949579482547 853.6233630000002 C25H42N7O18P3S 0 695.42 147 1115 M-H2O-H 625541 189.14912999999999 189.1485579884392 469.01789213271843 208.16752 C10H8O5 0 659.59 151 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 1 203.09 160 879 M-H2O-H 36371 177.10197000000002 177.10255871896945 206.47718044318256 196.12036000000003 C6H4N4O4 1 580.55 186 1802 M-H2O-H 114971 228.06745000000004 228.06788623690792 768.3966884406035 247.08584000000005 C9H11BrO3 0 869.58 192 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 1 844.28 195 1822 M-H2O-H 578120 228.20341319999997 228.2040105390728 843.9622344240522 247.22180319999998 C13H10FNO3 1 708.11 212 3638 M-H2O-H 489950 309.13050000000004 309.1304516423255 454.12360298120836 328.14889000000005 C12H13IN2O 1 678.74 232 642 2M-3H 584139 163.14855279999998 163.1481943367615 677.8565200392331 246.23374319999996 C14H11FO3 1 719.12 238 270 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 1 648.57 245 747 2M-3H 45400 169.12216399999997 169.1224524450331 436.4908596694105 255.19415999999998 C6H9N9O3 1 156.48 253 307 2M-3H 237947 140.11803066666664 140.11840688898067 209.2653744326065 211.68795999999998 C11H14ClNO 0 773.08 258 4168 2M-3H 44003 331.3415506666666 331.3400391979087 836.3844520532764 498.52323999999993 C30H26O7 1 1061.35 283 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 1198.83 303 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 1 714.07 316 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 1 657.63 332 3491 3M-3H 533128 303.29066399999994 303.28935658000466 927.8299914120748 304.2979399999999 C15H16N2O5 1 643.14 342 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 1 858.76 351 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 1 766.24 381 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 1 862.32 395 2083 3M-3H 338760 242.089864 242.0894731178167 608.6303462747803 243.09714000000002 C10H11BrO2 1 813.82 415 2500 2M-2H 721112 262.10990400000003 262.11104106690283 375.41187918424464 263.11718 C11H12Cl2O3 1 945.68 418 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 1 499.11 425 2430 2M-2H 555479 258.2434703999999 258.2430412678191 837.6665828901378 259.2507463999999 C15H11F2NO 1 993.06 432 1718 2M-2H 536995 224.07788399999998 224.0784278031693 740.7467699833481 225.08515999999997 C9H9BrN2 1 620.84 438 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 1 887.22 459 2507 2M-2H 408600 262.15948399999996 262.15856459314523 229.48870293804077 263.16675999999995 C8H4Cl2N2S2 1 1000.6 463 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 1 643.14 476 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 1 858.76 481 1242 2M-2H 35795 197.16542400000003 197.16496041845156 308.31983683171995 198.17270000000002 C9H10O5 1 678.14 503 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 1263.69 509 3029 2M-2H 644206 284.33192399999996 284.33103705820065 835.5594672769531 285.33919999999995 C20H15NO 1 1050.46 519 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 1 738.31 535 5530 3M-2H 179090 395.3563983999998 395.3552869902878 894.8990640701437 264.2424495999999 C15H11F3O 1 1001.01 551 4444 3M-2H 328189 344.3145640000001 344.31540077827043 875.2712181239808 230.21456000000006 C10H14O6 1 715.61 571 6209 3M-2H 564971 428.2102540000001 428.20909746612335 565.2843226312119 286.14502000000005 C10H8BrNO2S 1 1077.92 576 6381 3M-2H 654608 435.707584 435.7093021138717 198.42515249445304 291.14324 C13H11BrN2O 1 888.33 581 8505 3M-2H 235905 556.2373239999998 556.2388285363534 398.0273451434166 371.49639999999994 C20H25N3O2S 0 890.58 589 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 1 672.55 597 8633 3M-2H 327580 565.2020188 565.2005175980054 224.2750642215683 377.47286320000006 C20H24FNO3S 0 630.54 599 6860 3M-2H 561805 457.72887399999996 457.72746206890065 359.88944628521716 305.8241 C12H20ClN3O2S 1 136.16 619 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 1 761.98 630 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 1070.65 634 162 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 1097.47 638 9335 3M-2H 231173 621.2885139999997 621.2859257589316 258.9269612417862 414.8638599999999 C16H19ClN4O5S 1 540.28 645 1116 M-2H 660832 189.15906399999992 189.1596424500623 268.8362975120546 380.3326799999998 C14H12N4O7S 1 735.63 656 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 0 874.94 665 280 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 1 735.33 677 4709 2M-H 736190 357.16648399999997 357.1674173018073 572.5602008649976 179.08687999999998 C8H12Cl2 0 1026.63 688 11770 2M-H 128922 915.2417239999999 915.2415807879911 1047.072294965069 458.12449999999995 C15H10Br2N2O3S 0 1013.2 690 9323 2M-H 587155 619.5283831999997 619.5254033453656 1205.3320325682676 310.26782959999986 C16H13F3O3 0 1041.01 702 5366 2M-H 120162 389.25732400000004 389.25685092768003 380.61801297742187 195.13230000000001 C7H5N3O4 1 642.33 714 7945 2M-H 94717 519.139684 519.1376521502913 966.5501947870165 260.07348 C10H7Cl2NO3 0 788.81 729 920 2M-H 46177 179.15520400000003 179.1545928408054 277.26669457734664 90.08124000000001 C2H6N2O2 1 250.8 745 10596 2M-H 618957 762.1775640000003 762.1797509437309 976.9380234607487 381.5924200000002 C23H43NO3 1 913.37 751 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-- 1 603.72 756 6145 2M-H 167929 425.2683032 425.26839769132226 764.1821356628285 213.1377896 C4H2F3N3O2S 1 603.17 772 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 1 161.93 780 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 1 719.55 785 8605 2M-H 728772 563.4848439999998 563.4860604004659 1095.0787461237937 282.24605999999994 C13H14O7 1 729.78 797 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 1174.27 813 10845 2M-H 386012 790.147684 790.1493161280516 927.0798272891047 395.57748000000004 C26H37NO2 1 857.85 817 10627 2M-H 716323 764.3722440000001 764.3699408369466 341.2318675153375 382.6897600000001 C22H34N2Si2 0 1523.75 826 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 1 637.5 833 11726 3M-H 132541 910.2135039999998 910.2166320801746 1019.2591440415786 303.74026 C16H14ClNO3 0 825.42 837 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 1 479.36 849 10304 3M-H 11024 726.8305431999997 726.8336382447819 280.93480738688504 242.61260639999992 C9H5ClF2N4 0 817.62 856 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 0 891.6 874 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 1 555.68 885 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 1055.07 901 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 1 947.5 907 9421 3M-H 118950 629.3894823999998 629.3876951806253 740.480544976527 210.13225279999995 C6H6F4N4 0 344.43 929 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 1 659.44 944 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 1 499.11 951 6550 M-H 659900 444.22252399999996 444.2225703323556 544.2930644741886 445.22979999999995 C10H20BrCl3Sn 1 819.34 965 2432 M-H 94717 259.066204 259.0658879396751 1183.0009566369708 260.07348 C10H7Cl2NO3 1 788.81 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 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 1015 5395 M-H 331788 390.285264 390.2842896589099 624.765871344913 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 1025 2178 M-H 25060 246.24264399999998 246.2426702025712 968.8905140611339 247.24991999999997 C12H13N3O3 1 636.23 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 1045 5828 M-H 605602 410.69724399999996 410.69523854837814 251.91498979723437 411.70451999999995 C26H53NO2 1 1021.41 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 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 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 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 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 1112 5776 2M-2H+NH4 36371 408.25999100000007 408.25797724281165 551.8033052775785 196.12036000000003 C6H4N4O4 1 580.55 1119 10302 2M-2H+NH4 111220 726.5399109999996 726.5418556403193 1093.6974840855758 355.2603199999998 C12H13N5O8 1 410.62 1144 6551 2M-2H+NH4 323495 444.223831 444.22382531952996 530.0904113656417 214.10228 C9H12BrN 1 670.35 1147 7785 2M-2H+NH4 333692 510.19755100000003 510.1964170770801 351.88325715549206 247.08914000000001 C8H11BrN2O2 0 731.86 1154 6605 2M-2H+NH4 428165 446.3264438 446.3243876141805 469.07504418251165 215.1535864 C9H7F2NO3 1 703.58 1158 12144 2M-2H+NH4 851629 972.8250309999997 972.8209234974602 772.6611023504172 478.40287999999987 C22H22O12 0 653.45 1164 7655 2M-2H+NH4 398529 502.19113100000004 502.190304076802 476.24893159821403 243.08593000000002 C6H14INO 1 633.28 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 1174 4819 2M-2H+NH4 675299 362.2165974 362.21690559916584 468.6292866194345 173.0986632 C6H4FNO4 1 430.86 1180 12361 3M-2H+NH4 688314 1010.3168909999998 1010.31221356184 1112.3681763566453 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 1190 9963 3M-2H+NH4 114035 687.184671 687.1819207664687 991.222386720578 223.7218 C11H10ClNS 0 634.84 1194 8946 3M-2H+NH4 554242 587.7724110000001 587.7717321507471 297.61758255494954 190.58438000000004 C6H7ClN2O3 1 578.22 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 1207 10954 3M-2H+NH4 192150 803.6118509999999 803.6118381429942 233.67753015746285 262.53085999999996 C9H9BrClNO 0 838.3 1211 11748 3M-2H+NH4 320488 912.3150509999999 912.3170360568369 658.77089689619 298.76525999999996 C14H19ClN2O3 0 589.15 1215 12827 3M-2H+NH4 71171 1091.3149709999998 1091.3168832627541 1103.3569964567455 358.4319 C12H5Cl5O2 0 1103.68 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 1222 6449 3M-2H+NH4 277048 439.3534709999999 439.354274761588 1008.3087463739985 141.11139999999997 C3H5N6O+ 1 625.9 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 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 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 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 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 1263 11206 3M-2H+NH4 510084 835.4150285999998 835.4164373662711 735.7789000174622 273.1319191999999 C9H5F6NO2 0 862.32 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 1272 8577 3M-2H+NH4 377528 560.871411 560.8692384142076 1242.624043263679 181.61738 C6H12ClNO3 1 215.67 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 1295 2661 M-2H+NH4 622530 268.199591 268.19898236386393 584.0911771545843 252.18032 C10H8N2O6 1 44.76 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 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 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 1324 5133 M-2H+NH4 192207 377.273951 377.2723786377847 497.29036056638284 361.25468 C13H17BrN2O3S 1 711.5 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 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 1377 1863 M-2H+NH4 339761 230.174272 230.17510528410068 551.1436854518142 214.155001 C9H11O4P 0 740.58 1379 4203 M-2H+NH4 20821 333.20697099999995 333.2062920797834 604.5359428272982 317.18769999999995 C13H10Cl2O3S 1 1049.84 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 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 1407 7076 2M-2H+Na 666238 469.35170600000004 469.3519798509968 694.811375698998 224.18852 C6H8O7S 1 467.64 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 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 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 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 1457 8747 2M-2H+Na 584912 572.3488659999999 572.3502994878295 727.3342193317062 275.6871 C14H10ClNO3 1 847.38 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 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 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 1507 10436 2M-2H+Na 497634 741.5238660000001 741.5254568053574 1081.7490556631778 360.2746000000001 C22H20N2Ti-- 1 941.55 1511 6528 2M-2H+Na 614240 443.189648 443.1916225369174 496.6719371005444 211.10749099999998 C7H9NaO4P+ 1 93.17 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 1542 6492 2M-2H+Na 243884 441.2756052000001 441.2735307272605 473.1723328129466 210.15046960000004 C8H9F3O3 1 693.38 1552 9585 2M-2H+Na 363033 642.5662659999998 642.5647808415665 1098.6367723574824 310.79579999999993 C15H15ClO3S 1 869.46 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 1567 2897 3M-2H+Na 671896 279.12310599999995 279.12266489848093 496.10195981893037 86.04947999999999 C2H2N2O2 1 320.23 1569 11090 3M-2H+Na 244106 820.1167060000001 820.1188134602394 931.7748422740805 266.38068000000004 C18H22N2 1 613.01 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 1600 11279 3M-2H+Na 244883 843.0468747999998 843.0469642399139 930.773814158607 274.02406959999996 C8H4Cl2F3NO2 1 949.32 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 1632 11812 3M-2H+Na 496013 922.1653660000002 922.1693355508589 960.3282577703094 300.3969000000001 C21H20N2 0 1019.77 1647 7548 3M-2H+Na 363629 495.81790599999994 495.81682239232504 463.97961550951663 158.28107999999997 C10H22O 0 832.98 1672 2928 M-2H+Na 555479 280.2254123999999 280.2245155112593 832.0738968431896 259.2507463999999 C15H11F2NO 1 993.06 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 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 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 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 1705 4057 M-2H+Na 863538 327.1214260000001 327.1219979944616 355.9419015832957 306.1467600000001 C14H9Cl2N3O 1 793.77 1714 1998 M-2H+Na 728317 237.14795880000003 237.14869835843598 572.2663090709849 216.1732928 C8H12F4O2 1 774.47 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 1731 3467 M-2H+Na 291606 302.29046600000004 302.29069036535 568.5990771262291 281.3158 C14H15N7 1 584.34 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 1758 5023 M-2H+Na 191329 372.2096259999999 372.21020368136544 484.58834622071896 351.2349599999999 C17H19BrO3 1 1084.79 1766 2183 M-2H+Na 42856 247.074902 247.07442609100625 264.7594459049061 226.100236 C8H3F5O2 1 958.44 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 1794 4274 M-2H+Na 201607 336.25218599999994 336.25263062621815 706.3466433355037 315.2775199999999 C16H13NO6 1 766.24 1800 3277 M-2H+Na 636794 295.08584599999995 295.0860127367197 270.2602380523345 274.11117999999993 C10H12BrNO3 1 821.41 1803 2449 M-2H+Na 579790 259.19124919999996 259.1904833078221 612.2628819413504 238.21658319999995 C14H7FN2O 1 774.35 1805 3335 M-2H+Na 207268 297.262506 297.2613755993732 801.673075661711 276.28783999999996 C14H16N2O4 1 678.26 1816 3622 M-2H+Na 598932 308.293286 308.29422595765533 883.947499571743 287.31862 C17H13N5 1 640.3 1826 11110 M-2H+Na 864075 822.6488660000002 822.6491232368307 1190.3561493479465 801.6742000000003 C46H30Cl2N6O4 1 1694.87 1833 3167 M-2H+Na 546125 290.069326 290.0693240372989 312.2017144928342 269.09466 C10H9BrN2O2 1 792.75 1835 3771 M-2H+Na 337919 315.05684700000006 315.05636268104706 721.9394706981539 294.08218100000005 C9H13BrNO3P 1 647.05 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 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 1867 6491 M+Na-2H 640453 441.261976 441.2598496041179 618.707080821787 420.28731 C19H21IN2O 1 945.23 1872 5541 M+Na-2H 96094 396.2294859999999 396.22911391627855 870.8976617488422 375.2548199999999 C16H23BrO5 1 1042.64 1875 1242 M+Na-2H 661530 197.164986 197.16496041845156 308.31983683171995 176.19032 C6H8O4S 1 646.39 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 1890 2561 M+Na-2H 644699 264.231046 264.2300199535537 878.0918269800861 243.25638 C11H17NO5 1 633.94 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 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 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 1944 1381 M+Na-2H 390010 204.18392599999999 204.18294195963534 687.7312884734715 183.20926 C11H9N3 1 614.97 1953 1750 M+Na-2H 615851 225.196546 225.19619238008187 1019.2596478886063 204.22188 C12H12O3 1 768.12 1958 3389 M+Na-2H 506223 300.103906 300.10271783358934 331.2491396267873 279.12924 C13H11BrO2 1 935.02 1965 5209 M+Na-2H 192207 382.229346 382.2301819305437 581.3315068371588 361.25468 C13H17BrN2O3S 1 711.5 2000 2469 M+Na-2H 176626 260.204126 260.2046220052501 301.7628093874563 239.22945999999996 C13H9N3O2 1 590.07 2004 6372 M+Na-2H 118697 435.2213915999998 435.222755479169 573.3116732886365 414.24672559999976 C17H10F8O3 1 1262.75 2006 1822 M+Na-2H 67901 228.20378600000004 228.2040105390728 843.9622344240522 207.22912000000002 C10H13N3O2 1 676.68 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 2018 5195 M+Na-2H 497634 381.2492660000001 381.24784863092395 633.4350052166574 360.2746000000001 C22H20N2Ti-- 1 941.55 2026 1978 M+Na-2H 428165 236.1282524 236.1282490565478 455.7243348672263 215.1535864 C9H7F2NO3 1 703.58 2030 1208 M+Na-2H 530777 195.14904919999998 195.14915290614906 270.91790045054756 174.1743832 C10H7FN2 1 701.83 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 2037 564 M+Na-2H 291379 158.11724599999997 158.11776727755594 356.8062820523462 137.14257999999998 C5H7N5 1 168.58 2046 7076 M+Na-2H 853652 469.3515659999999 469.3519798509968 694.811375698998 448.37689999999986 C21H20O11 1 706.38 2055 1117 M+Na-2H 385619 189.164446 189.16381861799405 608.0257615203632 168.18978 C9H12O3 1 673.31 2059 6761 M+Na-2H 433330 453.3967659999997 453.396909061703 915.2156992508295 432.42209999999966 C25H20O7 1 884.86 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 2083 778 2M-H+Cl 379931 171.101203 171.1017833912406 437.9278260927698 154.12014 C7H6O4 1 497.65 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 2090 5091 2M-H+Cl 370426 375.21570219999984 375.21483300077733 707.408336732706 358.23463919999983 C17H8F6O2 1 913.72 2096 7051 2M-H+Cl 518021 468.28065300000003 468.2799693990954 628.3888024104017 451.29959 C23H18INO 0 1114.68 2098 2285 2M-H+Cl 103131 251.23706299999992 251.23716343580654 839.738242923298 234.25599999999991 C14H10N4 1 635.83 2110 2527 2M-H+Cl 303373 263.11408300000005 263.11387414544953 342.22876576096417 246.13302000000004 C11H13Cl2NO 1 885.08 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 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 2162 3204 2M-H+Cl 728122 291.2530229999999 291.25284825941696 781.4748534084662 274.2719599999999 C14H14N2O4 1 806.53 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 2179 2056 2M-H+Cl 325087 240.232723 240.232124530664 872.0992447843912 223.25166 C9H9N3O2S 1 632.68 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 2200 1852 2M-H+Cl 365964 230.052223 230.05268065286293 759.1954530857223 213.07116 C9H9BrO 1 905.99 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 2225 1891 2M-H+Cl 473646 231.18964939999998 231.18944743411905 191.46099599578335 214.20858639999997 C11H12F2O2 0 642.88 2227 2387 2M-H+Cl 186576 256.23542299999997 256.2351663149414 856.1643733605544 239.25436 C8H9N5O2S 1 601.71 2235 7961 3M-H+Cl 358590 520.0755729999998 520.0738090165103 484.03990908151104 335.39633999999995 C21H21NO3 1 881.07 2265 5365 3M-H+Cl 569582 389.2538074 389.25376351367464 549.892524291894 248.18182960000001 C8H3F3N2O2S 0 770.03 2276 1929 3M-H+Cl 31252 233.173993 233.17308265786411 691.5994987889758 144.12861999999998 C5H8N2O3 1 608.9 2284 3549 3M-H+Cl 20695 305.30278300000003 305.3030241053062 748.3902861388195 192.21448 C10H12N2O2 1 137.53 2286 4875 3M-H+Cl 359010 365.145673 365.1443456674742 472.1788571164751 232.10974 C9H11Cl2N3 0 560.83 2305 4828 3M-H+Cl 303804 362.3376130000001 362.33927671905184 1016.7975670846678 230.23770000000005 C9H10O5S 1 718.72 2310 1512 3M-H+Cl 283992 212.12917299999995 212.12824022389609 326.62942344536845 130.09873999999996 C5H6O4-- 0 603.72 2331 8805 3M-H+Cl 621976 576.2998029999999 576.3009210431712 543.2360945268409 372.87915999999996 C9H9Br3O 0 1108.12 2342 3619 3M-H+Cl 410220 308.2570630000001 308.2579982354824 724.4241116104492 194.18400000000003 C10H10O4 1 672.57 2349 4180 3M-H+Cl 243884 332.20676740000005 332.20660844672636 476.3954697233234 210.15046960000004 C8H9F3O3 0 693.38 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 2370 1278 M-H+Cl 851783 199.13283299999995 199.1329288657424 495.95714749094327 364.3035399999999 C17H16O9 0 655.96 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 2384 6680 M-H+Cl 423317 449.35933300000005 449.3600769295344 1008.7106579215189 864.7565400000001 C45H36O18 1 1166.55 2388 588 M-H+Cl 564971 160.05357300000003 160.05421161286822 160.08569835876682 286.14502000000005 C10H8BrNO2S 0 1077.92 2401 143 M-H+Cl 224553 126.110243 126.11065458150134 269.34601373209705 218.25835999999998 C10H14N6 1 561.36 2408 14 M-H+Cl 33263 112.11269299999998 112.11221510600595 388.78591115928367 190.26325999999997 C7H14N2O2S 1 402.89 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 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 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 2486 7738 2M+Cl 508498 507.297044 507.29846548719445 668.3434478118494 236.163821 C10H9N2O3P 1 476.37 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 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 2532 6657 2M+Cl 252677 448.30260200000004 448.3048324969375 601.9888600986873 206.66660000000002 C9H15ClO3 1 871.11 2535 3541 2M+Cl 439935 305.21620199999995 305.21513803666653 426.6192849994471 135.12339999999998 C6H5N3O 1 322.63 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 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 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 2575 3933 2M+Cl 426176 321.260202 321.2590045401033 782.4866390421078 143.1454 C8H5N3 1 500.92 2579 8100 2M+Cl 425599 529.4626420000001 529.4601598463362 1157.970747479603 247.24662000000004 C13H13NO4 1 789.9 2583 6230 2M+Cl 83656 429.162722 429.1609605279423 319.2040505427393 197.09665999999999 C4H9BrN2S 1 108.8 2590 9231 2M+Cl 40326 613.4126040000001 613.4129639259115 763.1443777409028 289.2216010000001 C11H16NO6P 1 808.82 2592 5238 2M+Cl 81566 383.2953411999999 383.2936792046767 799.6658109565352 174.16296959999994 C9H9F3 1 953.7 2602 11578 3M+Cl 418708 884.4524019999999 884.4546949575214 813.1279172358244 283.16099999999994 C13H15BrO2 1 1235.38 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 2615 9677 3M+Cl 304962 653.3354308 653.3339863275829 674.3472039582696 206.12200959999998 C7H5F3N2O2 1 607.99 2643 6681 3M+Cl 724288 449.71916200000004 449.7207512377166 206.4114609379652 138.24992 C10H18 1 918.71 2654 9574 3M+Cl 597508 641.453602 641.4536306677194 1037.9565738141741 202.16140000000001 C8H10O6 1 634.28 2661 12168 3M+Cl 281538 976.8030699999999 976.8031255453698 423.6355174449496 313.944556 C3H7NO6P2Tc 0 88.23 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 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 2703 9427 M+Cl 136481 629.7174620000001 629.7204909705256 385.5023356020627 594.7480600000001 C29H34N6O4S2 1 764.89 2711 2500 M+Cl 436149 262.110202 262.11104106690283 375.41187918424464 227.1408 C11H15Br 1 1052.78 2719 552 M+Cl 320607 157.133802 157.1336508387448 258.9384777689443 122.1644 C8H10O 1 704.85 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 2730 7492 M+Cl 128922 493.09390199999996 493.09617767940085 466.8532840052393 458.12449999999995 C15H10Br2N2O3S 1 1013.2 2734 6194 M+Cl 540476 427.2882219999999 427.28669398597697 589.4080090916102 392.3188199999999 C21H23Cl2NO2 1 1223.41 2760 3960 M+Cl 196682 323.11266119999993 323.1125462935209 505.48916456325145 288.14325919999993 C10H6F6O3 1 844.76 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 2774 4826 M+Cl 405197 362.30398199999985 362.3025683619993 918.114585939267 327.33457999999985 C17H17N3O4 1 623.11 2777 2303 M+Cl 526615 252.233102 252.2322390411483 751.383912471611 217.2637 C13H15NO2 1 804.58 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 2798 11936 M+Cl 258375 937.9743620000004 937.9720972300846 782.3665409217339 903.0049600000004 C46H54N4O13S 1 999.63 2800 3876 M+Cl 274612 319.18982199999994 319.1904790739813 676.7311183850214 284.22041999999993 C15H8O6 1 784.78 2812 1769 M+Cl 411175 226.15400300000002 226.15497478069216 207.78252495728717 191.18460100000001 C8H16O3P+ 1 625.69 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 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 2859 2494 M+Cl 255812 261.2431619999999 261.2422470086756 843.6026968250779 226.27375999999992 C14H14N2O 1 104.3 2868 3838 M+Cl 728772 317.21546199999995 317.2149908985539 396.162341516285 282.24605999999994 C13H14O7 1 729.78 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 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 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 2897 2905 M+Cl 606603 279.19674299999997 279.19534784508363 594.3780039547695 244.227341 C10H17N2O3P 1 658.46 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 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 2931 1660 M+Cl 491653 220.15478199999998 220.15451251384206 426.41332609004553 185.18537999999998 C9H7N5 1 768.58 2936 10713 2M-2H+K 714148 774.2718860000003 774.2713223679632 1132.6210454667 368.66164000000015 C18H36N2O2Si2 0 890.74 2963 12267 2M-2H+K 211096 994.9692860000001 994.9714313378761 367.1617242874161 479.01034000000004 C28H31ClN2O3 0 838.25 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 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 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 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 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 3016 8616 2M-2H+K 575927 564.301406 564.3000306862214 513.3018861188747 263.6764 C13H10ClNO3 1 761.3 3020 6183 2M-2H+K 595620 427.17723159999997 427.17885448084496 475.1444505106852 195.1143128 C7H5F4NO 0 682.18 3032 4398 2M-2H+K 430328 342.190126 342.1908388722182 384.37317608705445 152.62076000000002 C9H9Cl 1 988.89 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 3053 7507 2M-2H+K 387391 493.4417659999999 493.44312365571 1123.9587803378085 228.24657999999997 C13H12N2O2 1 699.78 3055 10775 2M-2H+K 225490 781.6135660000002 781.6174063081485 1148.618067714799 372.3324800000001 C18H27Cl2N3O 1 598.02 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 3068 10863 2M-2H+K 547721 792.0699260000004 792.0692476443157 801.6648465002306 377.56066000000015 C23H39NO3 0 1078.58 3074 7220 2M-2H+K 608852 477.39116600000006 477.3927481775738 1049.4029785460207 220.22128000000004 C12H12O4 1 709.04 3075 5891 2M-2H+K 483714 414.17480599999993 414.17474187551016 485.99706249670436 188.61309999999997 C10H5ClN2 1 756.15 3076 3700 2M-2H+K 553358 311.313286 311.31369476890427 1058.9045080387828 137.18234 C7H11N3 1 533.07 3077 7574 2M-2H+K 200176 496.3550859999999 496.3565265467497 970.8790692779444 229.70323999999997 C11H16ClNO2 1 630.04 3078 9425 2M-2H+K 423989 629.5035659999999 629.5021380405951 926.187443815825 296.2774799999999 C16H12N2O4 1 816.94 3084 5424 2M-2H+K 46834 391.26876599999997 391.26802704258057 507.8717766669051 177.16008 C8H7N3O2 1 466.94 3087 3695 2M-2H+K 291379 311.23376599999995 311.232876572383 589.4172866006769 137.14257999999998 C5H7N5 1 168.58 3093 7147 2M-2H+K 94000 473.36600599999997 473.3659288964593 721.6382446424619 218.2087 C11H10N2O3 1 623.46 3099 8797 2M-2H+K 701363 575.4893723999999 575.4887363803828 1103.12462212182 269.2703831999999 C16H12FNO2 1 830.38 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 3111 10822 3M-2H+K 705243 787.690386 787.6872564290604 1067.684288713149 250.24725999999998 C13H14O5 1 764.56 3133 10112 3M-2H+K 665728 703.7295060000001 703.7262201450859 1218.9545916290913 222.26030000000003 C11H10O3S 1 797.1 3155 11652 3M-2H+K 490257 898.3977059999999 898.3972609320239 281.3486812558936 287.14969999999994 C12H15BrO3 1 918.77 3157 7907 3M-2H+K 514410 517.200399 517.2002996896222 358.3478016595135 160.08393099999998 C4H10NaO3P 0 469.14 3175 12181 3M-2H+K 412043 980.2785660000001 980.2780011255869 1184.85186149569 314.44332000000003 C22H18S 0 1203.89 3177 11078 3M-2H+K 289581 817.3559490000001 817.3588568001412 333.26988875886127 260.135781 C6H13O9P 1 243.93 3191 3277 3M-2H+K 299339 295.08714599999996 295.0860127367197 270.2602380523345 86.04617999999999 C3H2O3 1 537.37 3194 4270 M-2H+K 572860 336.21539559999997 336.21689010001734 565.313368724048 299.2667896 C10H12F3NO4S 1 990 3204 2618 M-2H+K 190558 266.247906 266.247710830689 749.341808832427 229.2993 C9H15N3O2S 1 755.73 3211 4946 M-2H+K 688314 368.38114599999994 368.379696166276 1097.6195189140435 331.43253999999996 C17H21N3O2S 1 990.47 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 3229 2744 M-2H+K 303814 271.242826 271.24225116316893 714.0150930410854 234.29421999999997 C13H18N2O2 1 514.87 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 148.04755918818213 312.40760580090364 111.09869999999998 C5H5NO2 1 243.7 3257 4071 M-2H+K 197843 327.2630259999999 327.2640236433667 423.52024058927515 290.3144199999999 C15H18N2O4 1 681.73 3258 7404 M-2H+K 518021 488.248196 488.2481838953234 597.8256736627267 451.29959 C23H18INO 1 1114.68 3259 1757 M-2H+K 203625 226.0583388 226.0575663446931 207.9539282863498 189.1097328 C8H3F4N 1 828.35 3261 2742 M-2H+K 103131 271.2046059999999 271.20560374721055 708.5189205590732 234.25599999999991 C14H10N4 1 635.83 3269 1893 M-2H+K 28828 231.25106600000004 231.25107094570208 716.7922728030064 194.30246000000002 C10H14O2Si 1 930.63 3274 4661 M-2H+K 519709 355.11239839999985 355.1133834777827 337.24016005984987 318.16379239999986 C10H10F7NaO2 1 781.72 3281 2320 M-2H+K 675727 253.17964600000005 253.17981189139843 584.35794345845 216.23104000000004 C10H16O5 1 655.68 3282 3103 M-2H+K 270225 287.20246599999996 287.2037861768681 476.11733571739023 250.25385999999997 C11H14N4O3 1 641.35 3283 4005 M-2H+K 196682 325.0918651999999 325.0910859926337 300.2685380415918 288.14325919999993 C10H6F6O3 1 844.76 3289 4396 M-2H+K 673726 342.1686659999999 342.17011288657983 737.3821595515674 305.22005999999993 C13H14Cl2O2S 1 1153.15 3294 1660 M-2H+K 29662 220.154566 220.15451251384206 426.41332609004553 183.20595999999998 C12H9NO 1 743.2 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 3310 2744 M-2H+K 64134 271.24106599999993 271.24225116316893 714.0150930410854 234.29245999999992 C17H14O 1 1087.08 3315 4785 M-2H+K 210436 360.29118599999987 360.2924915669361 936.796839614914 323.3425799999999 C19H17NO4 1 827.77 3316 2743 M-2H+K 738158 271.226206 271.2267976373879 832.934709859266 234.27759999999998 C10H10N4OS 1 627.31 3321 1693 M-2H+K 389271 222.16890600000005 222.16994811413852 322.1173909478825 185.22030000000004 C9H15NO3 1 730.12 3333 3860 M-2H+K 235761 318.30086599999987 318.29986889775046 848.2700646951545 281.3522599999999 C17H19N3O 1 726.73 3337 4762 M-2H+K 587261 359.2783091999999 359.279013410712 723.8500341104852 322.3297031999999 C20H15FO3 1 1069.43 3338 1362 M-2H+K 61947 203.1649756 203.1642732224213 597.3025285560702 166.21636959999998 C6H9F3Si 1 1010.62 3351 5235 M-2H+K 304398 383.2502955999999 383.25105450826186 811.3786260243455 346.3016895999999 C15H17F3N2O4 1 671.94 3374 2744 M-2H+K 596147 271.2428259999999 271.24225116316893 714.0150930410854 234.29421999999994 C13H18N2O2 1 713.65 3375 6412 M-2H+K 76892 437.3273323999999 437.3259848230907 686.4530864206997 400.3787263999999 C20H18F2N4O3 1 673.81 3378 3694 M-2H+K 728122 311.2205659999999 311.2215472286491 611.7933888433852 274.2719599999999 C14H14N2O4 1 806.53 3392 1124 M-2H+K 632831 190.08728599999995 190.08643112411048 497.62065040694694 153.13867999999997 C6H7N3O2 1 256.82 3396 2096 M-2H+K 175862 242.18498599999998 242.18585442797638 356.2912538229394 205.23638 C9H7N3OS 1 574.8 3400 3783 M-2H+K 168562 315.16290599999996 315.1626973410028 447.32255716874903 278.2143 C13H10O7 1 693.04 3410 5562 M-2H+K 497634 397.22320600000006 397.2216141280897 646.4614081158147 360.2746000000001 C22H20N2Ti-- 1 941.55 3411 7094 M-2H+K 543468 470.384006 470.38249333559486 770.8906357634164 433.4354 C20H30Cl2N2O2S 1 845.81 3412 3813 M-2H+K 54030 316.2386259999999 316.23859734915334 603.9063739469807 279.2900199999999 C17H13NO3 1 760.18 3413 1402 M-2H+K 670734 206.08822600000002 206.0890950303009 633.7815362564761 169.13962 C9H3N3O 1 719.55 3416 5512 M-2H+K 257386 395.1680459999998 395.16653258509325 596.9275674796734 358.2194399999998 C14H6N4O8 1 638.97 3425 4205 M-2H+K 423989 333.2260859999999 333.2270013611361 614.2608114636746 296.2774799999999 C16H12N2O4 1 816.94 3434 1528 M-2H+K 688828 213.12392599999998 213.12343687200266 241.7032315128973 176.17531999999997 C8H8N4O 1 324.3 3439 828 M-2H+K 291379 174.091186 174.0915679671381 568.5736785913612 137.14257999999998 C5H7N5 1 168.58 3442 6344 M-2H+K 242167 433.3500460000001 433.35006056217753 501.6882767007258 396.4014400000001 C22H16N6O2 1 686.67 3443 3021 M-2H+K 100077 284.195226 284.1965437121901 263.14070230275763 247.24661999999998 C13H13NO4 1 661.54 3445 2034 M-2H+K 327377 239.200966 239.20057379745273 651.6286958082675 202.25235999999998 C12H14N2O 1 660.51 3450 6086 M-2H+K 307307 422.1997859999999 422.2006169903027 461.2085240910644 385.2511799999999 C20H17BrO3 1 1357.52 3452 4330 M-2H+K 5553 339.19090599999987 339.19128196015527 386.2364941843819 302.2422999999999 C13H10N4O5 1 670.1 3454 2948 M-2H+K 606603 281.175947 281.17489943310926 593.9019428678739 244.227341 C10H17N2O3P 1 658.46 3455 1572 M-2H+K 288345 215.17626600000006 215.17553391692422 366.7748461231678 178.22766000000004 C11H14O2 1 850.06 3464 2776 M-2H+K 855613 273.124686 273.1234787434414 334.80540105516246 236.17608 C8H12O8 1 580.4 3465 1738 M-2H+K 241495 225.0768524 225.07587399366898 387.24258672353784 188.12824640000002 C8H6F2O3 1 724.02 3470 4637 M-2H+K 20821 354.13630599999993 354.1348068567637 609.0075974981726 317.18769999999995 C13H10Cl2O3S 1 1049.84 3473 3884 M-2H+K 407040 319.264166 319.26284696487085 718.8456440961542 282.31556 C12H14N2O4S 1 691.82 3478 1318 M-2H+K 6409 201.14968600000003 201.1487305896946 519.1970466165616 164.20108000000002 C10H12O2 1 750.98 3482 1393 M-2H+K 385619 205.13838600000003 205.13752997092803 171.30923956294782 168.18978 C9H12O3 1 673.31 3483 3358 M-2H+K 276496 298.309466 298.3104441053424 967.9839185320461 261.36086 C19H19N 1 1017.68 3497 5557 M-2H+K 403579 397.18250599999993 397.18443713563306 504.5492325012241 360.23389999999995 C19H15Cl2NO2 1 1127.04 3501 6037 M+K-2H 548800 420.29700599999995 420.2955965356472 531.1590370605438 383.34839999999997 C14H25NO11 1 606.42 3502 4270 M+K-2H 572860 336.21539559999997 336.21689010001734 565.313368724048 299.2667896 C10H12F3NO4S 1 990 3503 3635 M+K-2H 62660 309.118906 309.1180530153914 259.6220097673992 272.1703 C13H15Cl2NO 1 992.51 3510 3101 M+K-2H 705243 287.19586599999997 287.1960146709731 285.4002305392375 250.24725999999998 C13H14O5 1 764.56 3517 10156 M+K-2H 860556 711.3598880000004 711.3607177946913 630.1969705648849 674.4112820000004 C20H24N10O13P2 1 627.62 3521 1660 M+K-2H 251276 220.154566 220.15451251384206 426.41332609004553 183.20596 C12H9NO 1 892.67 3522 601 M+K-2H 372761 161.027427 161.02681559263215 235.033226254882 124.07882099999999 C2H9N2O2P 1 399.38 3523 1260 M+K-2H 371666 198.149046 198.14918145856552 380.60330383859895 161.20044000000001 C10H11NO 1 663.3 3528 2069 M+K-2H 256975 241.127426 241.1262777215141 464.42209625191776 204.17882000000003 C11H8O4 1 719.47 3532 1297 M+K-2H 493705 200.16492599999998 200.16457482526738 517.5355389173843 163.21632 C10H13NO 1 460.64 3533 2802 M+K-2H 339800 274.20040600000004 274.2013740835313 496.7967084449052 237.25180000000003 C12H15NO4 1 773.42 3537 2744 M+K-2H 303814 271.242826 271.24225116316893 714.0150930410854 234.29421999999997 C13H18N2O2 1 514.87 3543 7819 M+K-2H 54868 512.2696859999998 512.2702801163006 504.89089310654504 475.3210799999997 C30H12Cl2O2 1 1019.62 3548 3720 M+K-2H 551101 312.31788599999993 312.3167298654852 945.7978382813568 275.36927999999995 C14H17N3OS 1 710.49 3555 2053 M+K-2H 654367 240.170866 240.17061867543276 216.34696833995648 203.22225999999998 C5H9N5O2S 1 658.51 3562 1260 M+K-2H 625257 198.149046 198.14918145856552 380.60330383859895 161.20044 C10H11NO 1 720.89 3566 7404 M+K-2H 518021 488.248196 488.2481838953234 597.8256736627267 451.29959 C23H18INO 1 1114.68 3567 1757 M+K-2H 203625 226.0583388 226.0575663446931 207.9539282863498 189.1097328 C8H3F4N 1 828.35 3569 2742 M+K-2H 103131 271.2046059999999 271.20560374721055 708.5189205590732 234.25599999999991 C14H10N4 1 635.83 3570 1043 M+K-2H 251072 185.15358599999996 185.1537111451596 598.8743031481318 148.20497999999998 C9H12N2 1 415.49 3571 3885 M+K-2H 21715 319.2838659999999 319.28395578945293 908.9856239264984 282.3352599999999 C21H14O 1 1136.62 3584 5868 M+K-2H 231390 412.3244459999999 412.323988550925 1005.9202001602439 375.3758399999999 C18H21N3O6 1 723.81 3585 5263 M+K-2H 485792 384.7495660000001 384.74953142026504 441.5622617643784 347.8009600000001 C19H14ClN5 1 657.97 3587 4760 M+K-2H 656563 359.2600659999998 359.2585196348713 706.7615562078169 322.31145999999984 C19H14O5 1 927.64 3588 4761 M+K-2H 656563 359.2600659999998 359.2617165817278 612.2490751866338 322.31145999999984 C19H14O5 1 927.64 3589 2320 M+K-2H 675727 253.17964600000005 253.17981189139843 584.35794345845 216.23104000000004 C10H16O5 1 655.68 3595 1318 M+K-2H 61400 201.14968600000003 201.1487305896946 519.1970466165616 164.20108000000002 C10H12O2 1 740.75 3606 2316 M+K-2H 728317 253.1218988 253.12251915710527 700.6987798014623 216.1732928 C8H12F4O2 1 774.47 3619 2587 M+K-2H 110789 265.216786 265.21585672824875 635.0259758980017 228.26818 C9H12N2O3S 1 454.09 3621 10118 M+K-2H 291079 704.5746059999998 704.5762569560266 1072.151483713646 667.6259999999997 C30H60O4S2Sn 1 1215.53 3626 5844 M+K-2H 733058 411.29366600000003 411.29341315403934 725.1107621226415 374.34506000000005 C19H29Cl2NO2 1 901.37 3627 5164 M+K-2H 443498 379.2466259999999 379.24717487816883 627.7610487620184 342.2980199999999 C15H18O9 1 761.92 3628 2666 M+K-2H 359010 269.058346 269.0588815141638 220.33652633202033 232.10974 C9H11Cl2N3 1 560.83 3640 4382 M+K-2H 533128 341.2465459999999 341.24726394311006 712.9453507876348 304.2979399999999 C15H16N2O5 1 643.14 3649 2972 M+K-2H 409741 282.222406 282.2211984834715 1057.1328028007738 245.27379999999997 C14H15NO3 1 683.11 3650 5582 M+K-2H 192207 398.203286 398.2018559840368 401.8621624437584 361.25468 C13H17BrN2O3S 1 711.5 3651 2745 M+K-2H 424770 271.282586 271.2824181613532 924.5296605947468 234.33397999999997 C15H22O2 1 1131.59 3662 1993 M+K-2H 559027 237.10909559999993 237.1100282239084 563.0551601981617 200.16048959999992 C9H7F3N2 1 770.37 3667 2362 M+K-2H 224553 255.20696599999997 255.20693219534763 298.7613393510708 218.25835999999998 C10H14N6 1 561.36 3678 1961 M+K-2H 35795 235.121306 235.12073146971142 706.2153046275766 198.17270000000002 C9H10O5 1 678.14 3683 6412 M+K-2H 76892 437.3273323999999 437.3259848230907 686.4530864206997 400.3787263999999 C20H18F2N4O3 1 673.81 3685 2608 M+K-2H 10453 266.149486 266.1496041219941 358.1888317706248 229.20088 C6H7CaNO6 1 113.71 3686 3694 M+K-2H 728122 311.2205659999999 311.2215472286491 611.7933888433852 274.2719599999999 C14H14N2O4 1 806.53 3692 1318 M+K-2H 177585 201.14968600000003 201.1487305896946 519.1970466165616 164.20108000000002 C10H12O2 1 761.42 3741 2088 M+K-2H 245012 242.12208599999997 242.12131971894559 392.95337177597196 205.17347999999998 C8H7N5O2 1 555.39 3760 4330 M+K-2H 5553 339.19090599999987 339.19128196015527 386.2364941843819 302.2422999999999 C13H10N4O5 1 670.1 3770 4422 M+K-2H 342738 343.2310356 343.23085759527993 482.3725394248212 306.2824296 C16H13F3N2O 1 869.92 3784 4958 M+K-2H 670640 369.20135600000003 369.2018591078974 372.9455365639546 332.25275000000005 C12H17IOSi 1 1449.15 3785 2186 M+K-2H 243884 247.09907560000005 247.0997036040785 391.0378450649469 210.15046960000004 C8H9F3O3 1 693.38 3787 3211 M+K-2H 537351 292.102806 292.10178946174506 374.835845038891 255.15419999999997 C11H15BrN2 1 811.63 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 3800 2851 M+K-2H 186576 276.202966 276.2036502375742 658.5063782241784 239.25436 C8H9N5O2S 1 601.71 3804 3039 M+K-2H 250069 285.1072956 285.1085560142711 205.61843219434508 248.1586896 C9H7F3N2O3 1 746.14 3811 5163 M-H+HCOOH 98329 379.236334 379.2381737642906 697.4067990903606 334.23814 C15H21Cl2NO3 1 1042.81 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 3825 3605 M-H+HCOOH 721112 308.11537400000003 308.1162461567777 338.0885417689812 263.11718 C11H12Cl2O3 1 945.68 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 3836 11208 M-H+HCOOH 572270 835.6623160000004 835.6659964947171 1190.709640031607 790.6641220000004 C29H50N3O18P2- 1 795.09 3838 3516 M-H+HCOOH 555479 304.2489403999999 304.24797314374496 997.7065342392796 259.2507463999999 C15H11F2NO 1 993.06 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 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 3872 3490 M-H+HCOOH 309289 303.267454 303.26809310452427 731.7125833421155 258.26926 C15H14O4 1 705.44 3879 6919 M-H+HCOOH 669000 461.2182540000001 461.22051015667506 526.006901691203 416.2200600000001 C19H39NOSn 0 596.9 3892 5582 M-H+HCOOH 106523 398.1999139999999 398.2018559840368 401.8621624437584 353.2017199999999 C12H18Cl2N4O4 1 726.51 3895 3026 M-H+HCOOH 337316 284.265874 284.266229205713 866.4615024801656 239.26768 C12H17NO4 1 704.49 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 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 3940 3348 M-H+HCOOH 385589 298.176274 298.17594568555546 264.87663581000857 253.17807999999997 C13H17Br 0 1225.49 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 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 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 3984 6108 M-H+HCOOH 385846 423.260034 423.25962836706066 705.753083862168 378.26184 C21H16BrNO 1 1031.83 4000 2325 M-H+HCOOH 487751 253.25183400000003 253.25267033088795 838.6537233320302 208.25364000000005 C12H16O3 1 808.57 4003 1433 M-H+HCOOH 301999 207.186694 207.18574398820832 360.3714720424948 162.1885 C9H10N2O 1 453.34 4007 2446 M-H+HCOOH 339761 259.153195 259.1541717903262 537.2251704609387 214.155001 C9H11O4P 1 740.58 4016 3761 M-H+HCOOH 636635 314.178974 314.1791778036061 471.47497361441526 269.18077999999997 C12H17BrN2 1 435.13 4038 4890 2M+HCOOH-H 509211 365.3434409999999 365.34456222966116 917.9425069893448 160.17261999999997 C9H8N2O 1 394.35 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 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 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 4103 12762 2M+HCOOH-H 16950 1081.511381 1081.5143012807673 384.8059644701458 518.25659 C7H2ClI3O 0 1167.83 4118 4266 2M+HCOOH-H 509128 336.17844099999996 336.17994175198055 504.3624773620597 145.59011999999998 C5H8ClN3 1 181.45 4121 7602 2M+HCOOH-H 676448 498.396801 498.3987508968881 1061.219263141976 226.6993 C12H15ClO2 1 870.6 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 4128 10658 2M+HCOOH-H 190233 767.574521 767.5759532863631 1099.0164713879262 361.28816 C18H14Cl2N2S 0 1356.25 4133 8760 2M+HCOOH-H 864457 573.1254610000001 573.1264872679064 968.9976857127328 264.06363000000005 C7H9IN2O 1 470.42 4142 10588 2M+HCOOH-H 257386 761.4370809999996 761.4348578646396 621.2298249999891 358.2194399999998 C14H6N4O8 0 638.97 4147 7690 2M+HCOOH-H 200176 504.4046809999999 504.4070498272747 1065.7085031222482 229.70323999999997 C11H16ClNO2 0 630.04 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 4169 6759 2M+HCOOH-H 319507 453.35584100000005 453.3567522555725 750.0747576070116 204.17882000000003 C11H8O4 1 686.1 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 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 4200 7109 2M+Hac-H 304962 471.25787019999996 471.2571202370557 665.4168458512814 206.12200959999998 C7H5F3N2O2 0 607.99 4204 4340 2M+Hac-H 429082 339.287091 339.28794506398623 949.0374737248659 140.13662 C7H8O3 1 675.1 4219 7612 2M+Hac-H 204874 499.31103019999995 499.3107864603496 703.8683558211899 220.14858959999998 C8H7F3N2O2 1 648.51 4223 8839 2M+Hac-H 94717 579.1608110000001 579.1635293339219 267.2510849863853 260.07348 C10H7Cl2NO3 0 788.81 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 4262 6194 2M+Hac-H 702326 427.2865102 427.28669398597697 589.4080090916102 184.1363296 C5H3F3O2S 1 833.91 4273 8600 2M+Hac-H 552590 563.3222893999999 563.3245471349638 559.2173000376786 252.15421919999994 C8H10F6O2 0 858.04 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 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 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 4335 9618 M+Hac-H 509369 646.3828110000001 646.3804256847184 682.1462055675076 587.36896 C30H44O4Sn 0 659.44 4342 3160 M+Hac-H 635904 289.21509100000003 289.21617168577785 608.7560461428668 230.20124 C6H6N4O4S 1 653.47 4348 1661 M+Hac-H 633143 220.169691 220.16961880586825 585.6856231339628 161.15583999999998 C6H11NO4 1 78.47 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 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 4367 4826 M+Hac-H 29049 362.303811 362.3025683619993 918.114585939267 303.28996 C14H9NO5S 1 689.31 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 4384 4085 M+Hac-H 381968 328.14827099999997 328.14738798119436 579.6996801025091 269.13442 C12H13BrO2 1 878.54 4392 11138 M+Hac-H 548846 826.9003510000003 826.8987673645179 364.56789028755463 767.8865000000003 C32H35N2O12S4--- 1 768.23 4418 10102 M+Hac-H 272651 702.8262310000002 702.8227467722629 1232.70424244453 643.8123800000002 C31H57N5O9 1 715.15 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 4448 3135 M+Hac-H 168405 288.288251 288.2895803081294 736.3741165014437 229.27439999999999 C14H15NO2 1 822.11 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 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 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 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 4490 5424 M+Hac-H 670640 391.26660100000004 391.26802704258057 507.8717766669051 332.25275000000005 C12H17IOSi 1 1449.15 4506 2589 M+Hac-H 425731 265.294671 265.29517183299873 322.5121115403787 206.28082 C13H18O2 1 877.14 4510 3024 M-H+NaCOOH 657534 284.222391 284.2220001735177 697.9680015542674 217.24224 C8H11NO4S 1 886.02 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 4523 3182 M-H+NaCOOH 629397 291.03419099999996 291.03319861192773 304.53833082697804 224.05404 C9H6BrNO 0 732.92 4531 1911 M-H+NaCOOH 41343 232.1444742 232.14494486362508 620.2083037975866 165.16432319999998 C9H8FNO 1 613.77 4535 3583 M-H+NaCOOH 344309 307.06883100000005 307.06730981646984 301.0170757958027 240.08868 C10H7Cl2N3 1 902.73 4544 2993 M-H+NaCOOH 307124 283.172971 283.1728348941756 517.9865494710575 216.19282 C11H8N2O3 1 625.78 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 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 4584 3477 M-H+NaCOOH 203915 303.1248406 303.12630680367533 396.45820748544907 236.14468960000002 C9H7F3O4 1 818.01 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 4606 2991 M-H+NaCOOH 728317 283.1534438 283.15421115979143 603.2502088842504 216.1732928 C8H12F4O2 1 774.47 4612 3178 M-H+NaCOOH 391145 290.248431 290.24828420391987 639.2503041379118 223.26827999999998 C12H17NO3 1 736.79 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 4637 1908 M-H+NaCOOH 571542 232.132831 232.13290186451889 464.84612465142277 165.15268 C6H7N5O 0 297.37 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 4659 2513 M-H+NaCOOH 440588 262.238331 262.2376945251248 1023.4639204793503 195.25817999999998 C11H17NO2 1 368.91 4661 4224 M-H+NaCOOH 720010 334.17631200000005 334.17565398989655 304.82292912400703 267.196161 C7H10NO6PS 1 264.69 4663 2785 M-H+NaCOOH 438738 273.217911 273.2172363491564 497.7078400614246 206.23776 C12H14O3 1 846.68 4667 1163 M-H+NaCOOH 43249 192.10543099999998 192.1054513830712 323.7206921846609 125.12527999999998 C6H7NO2 1 635.24 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 4686 3484 M-H+NaCOOH 580566 303.19425739999997 303.1952522044803 654.2634756425147 236.21410639999996 C13H10F2O2 1 858.76 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 4725 2167 M-H+NaCOOH 558536 246.11635099999998 246.1161569507477 467.29252779185276 179.13619999999997 C6H5N5O2 1 270.14 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 4740 3079 M-H+NaCOOH 254026 286.216671 286.21614065698174 803.013443709219 219.23652 C12H13NO3 1 802.15 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 4755 1781 M-H+NaCOOH 476089 227.065367 227.06630456162344 225.25424309313482 160.085216 C5H5F5 1 575.76 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 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 4773 1394 M-H+NaCOOH 604828 205.14395100000002 205.1436187786981 433.4552750704053 138.1638 C8H10O2 1 670.45 4774 7620 M-H+NaCOOH 15181 499.8144709999999 499.81422120185425 846.4517482136883 432.83431999999993 C19H13ClN2O6S 1 983.67 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 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 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 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 4855 7492 2M+2Cl 128922 493.09390199999996 493.09617767940085 466.8532840052393 458.12449999999995 C15H10Br2N2O3S 1 1013.2 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 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 4882 5825 2M+2Cl 231390 410.3452419999999 410.34700248992414 863.3197684914016 375.3758399999999 C18H21N3O6 1 723.81 4894 1628 2M+2Cl 29662 218.17536199999998 218.17528497714633 400.3378009652784 183.20595999999998 C12H9NO 1 743.2 4902 2303 2M+2Cl 526615 252.233102 252.2322390411483 751.383912471611 217.2637 C13H15NO2 1 804.58 4908 3139 2M+2Cl 617576 289.04942200000005 289.04850061604037 235.05214723117587 254.08002000000002 C10H8BrNO2 1 670.55 4912 2851 2M+2Cl 275469 276.2048683999999 276.2036502375742 658.5063782241784 241.23546639999992 C15H9F2N 1 1072.49 4917 1079 2M+2Cl 361759 187.116722 187.11602674497595 361.55614201520063 152.14732 C8H8O3 1 671.77 4920 5464 2M+2Cl 861953 393.2253019999999 393.223667575045 570.7682928243896 358.2558999999999 C17H10O9 1 647.21 4922 5466 2M+2Cl 861953 393.2253019999999 393.22680439834755 554.3573434643326 358.2558999999999 C17H10O9 1 647.21 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 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 4949 4947 2M+2Cl 713183 368.8648220000001 368.8639846799967 1215.521379999245 333.8954200000001 C20H28ClNO 1 812.4 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 4969 3746 2M+2Cl 634554 313.321022 313.3210960883018 915.8385112767371 278.35162 C17H18N4 1 852.62 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 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 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 5037 4831 2M+2Cl 489950 363.11829200000005 363.11829246048507 448.05623925976863 328.14889000000005 C12H13IN2O 1 678.74 5039 7343 2M+2Cl 192993 484.236102 484.2382902090017 487.54471448371737 449.2667 C18H15S3Sb 1 712.24 5041 3994 2M+2Cl 40326 324.1910030000001 324.1907871537644 368.06499232548464 289.2216010000001 C11H16NO6P 1 808.82 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 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 5065 9075 3M+2Cl 731346 600.2601219999999 600.2609824159654 202.57813425092235 376.86048 C17H17ClN4O2S 1 719.36 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 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 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 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 5140 7844 3M+2Cl 303934 513.8216463999998 513.8234311163245 771.0614990578405 319.2348295999999 C16H8F3NO3 1 918.19 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 5151 9018 3M+2Cl 621976 594.2881419999999 594.2867311815024 359.19832896376704 372.87915999999996 C9H9Br3O 0 1108.12 5163 4259 3M+2Cl 317268 335.259532 335.2582721086219 655.1170414792645 200.19342 C11H8N2O2 1 653.08 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 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 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 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 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 5236 49 M+2Cl 38175 117.09147200000001 117.09119003956421 196.50278735538558 164.24414000000002 C11H16O 1 844.35 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 5260 477 M+2Cl 681505 152.115632 152.11521797641683 620.1077122039662 234.29246000000003 C17H14O 1 1161.87 5270 1142 M+2Cl 517331 191.08648200000002 191.08578318680287 766.2510663583064 312.23416000000003 C16H19Cl2NO 1 632.34 5277 810 M+2Cl 57616 173.09256199999996 173.0921054456379 194.67648472969026 276.2463199999999 C16H8N2O3 0 917.75 5281 1775 M+2Cl 316106 226.217242 226.21661511621045 859.8305760775485 382.49568 C30H22 1 1106.15 5298 2851 M+2Cl 373993 276.20426299999997 276.2036502375742 658.5063782241784 482.469722 C28H20O2P2S 1 1018.47 5304 1753 M+2Cl 65118 226.0166043999999 226.01703478178433 307.6852575852161 382.0944047999998 C8H4F14O 1 866.44 5314 581 M+2Cl 296288 159.14968200000004 159.14949249876514 203.33851365420944 248.3605600000001 C16H24O2 1 1084.54 5316 2883 M+2Cl 194684 278.14209700000004 278.1421305183522 415.0946464128524 486.34539 C23H23IN2O2 1 890.96 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 5333 953 M+2Cl 734371 180.16967199999996 180.16979832733028 303.0566291890636 290.4005399999999 C17H26N2O2 1 585.67 5335 477 M+2Cl 346158 152.11486200000002 152.11521797641683 620.1077122039662 234.29092 C14H18O3 1 1017.42 5346 4572 M+Br 62660 351.089185 351.089888816836 371.28640709466754 272.1703 C13H15Cl2NO 1 992.51 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 5359 1452 M+Br 569773 209.029882112 209.03041298961932 228.43482411819602 130.11099711199998 C4H3D4NaO3 1 293.51 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 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 5397 1688 M+Br 551407 222.11349388999997 222.11259615602387 403.94076529770217 143.19460888999998 C8H5D5O2 1 689.73 5414 1119 M+Br 620894 190.017585 190.01699412374737 171.55009816937914 111.09869999999998 C5H5NO2 1 243.7 5418 6895 M+Br 660832 459.2515649999998 459.250357401402 512.5082840138431 380.3326799999998 C14H12N4O7S 1 735.63 5421 4918 M+Br 411488 367.19548600000013 367.1962989471844 323.78982631962964 288.27660100000014 C13H21O5P 1 723.39 5431 2420 M+Br 16656 258.134605 258.13361833386085 474.74627471190337 179.21572000000003 C10H13NO2 1 744.19 5432 2610 M+Br 280384 266.156605 266.1560159496129 763.063831295715 187.23772000000002 C12H13NO 1 744.79 5439 5542 M+Br 502032 396.2305282 396.2291143443847 407.6521050080946 317.3116432 C17H16FNO4 1 801.62 5448 3432 M+Br 665728 301.179185 301.1797828461859 650.3437121551552 222.26030000000003 C11H10O3S 0 797.1 5450 3558 M+Br 218840 306.13610500000004 306.13672586844064 397.1976715184204 227.21722000000003 C9H13N3O4 1 601.03 5452 3478 M+Br 230852 303.13370499999996 303.13370050316973 458.8562730333915 224.21481999999997 C13H8N2O2 1 596.14 5453 3828 M+Br 614851 317.160285 317.15961073475506 496.6378732598925 238.24139999999997 C14H10N2O2 1 664.41 5455 2315 M+Br 666765 253.118085 253.118278740741 314.0978741068655 174.1992 C10H10N2O 1 616.16 5459 4736 M+Br 448841 358.295025 358.29514099188384 733.6095822597229 279.37614 C19H21NO 1 918.91 5460 4206 M+Br 603713 333.240965 333.24210772096774 678.4806498556159 254.32208000000003 C14H22O4 1 901.62 5463 3173 M+Br 548740 290.17976500000003 290.17891951110045 625.0228707146973 211.26088000000004 C10H17N3O2 1 626.07 5469 906 M+Br 607462 179.034705 179.0343711443076 263.96564969740376 100.11582 C5H8O2 0 454.18 5477 1879 M+Br 449527 231.11256500000002 231.11274745757376 385.1092818722919 152.19368 C8H12N2O 1 602.09 5485 2963 M+Br 388398 282.11954499999996 282.119582939879 209.33382895026273 203.20065999999997 C9H9N5O 1 616.14 5486 3972 M+Br 81164 323.206385 323.20687348949275 532.2299876768695 244.28750000000002 C11H20N2O4 1 572.35 5493 3398 M+Br 177716 300.17128499999995 300.1709241332461 437.6814868374869 221.25239999999997 C12H15NO3 1 658.33 5498 2863 M+Br 680755 277.10943239999995 277.1101929856936 409.7274054711618 198.19054739999996 C8H17F2OP 1 923.8 5501 4424 M+Br 435638 343.260465 343.25894077709927 633.1721138043118 264.34158 C17H12OS 1 1080.69 5515 2610 M+Br 246584 266.15506500000004 266.1560159496129 763.063831295715 187.23618000000002 C9H17NO3 1 647.27 5516 2461 M+Br 316288 260.150485 260.1492797526319 449.9816355551602 181.23160000000001 C10H15NO2 1 654.82 5517 3741 M+Br 64134 313.21134499999994 313.2124680617669 663.9852814978968 234.29245999999992 C17H14O 1 1087.08 5521 6445 M+Br 332958 439.28008499999993 439.28013786791064 454.255868072583 360.36119999999994 C18H20N2O6 0 708.9 5522 2079 M+Br 123964 242.05238500000002 242.05156910346045 269.94991285240974 163.1335 C7H5N3O2 1 556.91 5523 5781 M+Br 725509 408.3108649999999 408.3100092958208 673.7902641387295 329.39197999999993 C15H27N3O5 1 601.26 5541 1922 M+Br 472035 233.10368499999998 233.1027025949729 313.0590517807736 154.1848 C4H10O4S 1 312.54 5542 2093 M+Br 446671 242.158385 242.15831117980562 265.9273247449258 163.2395 C10H15N2+ 1 450.62 5543 2990 M+Br 615851 283.140765 283.14010780788533 202.0230345567139 204.22188 C12H12O3 1 768.12 5544 3942 M+Br 505512 322.175265 322.17597180586023 425.2343728973896 243.25638 C11H17NO5 1 634.05 5549 2266 M+Br 558424 251.04773140000003 251.04698906010088 506.2720767617286 172.12884640000001 C8H6F2O2 0 698.29 5550 2267 M+Br 558424 251.04773140000003 251.04868070029605 339.65832972266725 172.12884640000001 C8H6F2O2 0 698.29 5552 4749 M+Br 719602 359.152365 359.1527744713977 523.9733930235644 280.23348 C12H12N2O6 1 719.46 5553 4115 M+Br 129533 329.21404499999994 329.2150962154558 444.7541593512129 250.29515999999995 C16H14N2O 1 685.74 5558 2644 M+Br 15237 267.925585 267.92515645746033 1266.2840565123888 189.0067 C6H5BrO2 1 644.52 5564 7358 M+Br 110891 485.26724499999995 485.2680356920755 697.1208820308784 406.34835999999996 C20H14N4O6 1 797.94 5570 4017 M+Br 344448 325.22050500000006 325.22071034632705 561.4852900382107 246.30162000000007 C15H18O3 1 780.81 5578 4038 M+Br 418018 326.20856499999996 326.20763041652236 357.18758038870595 247.28967999999998 C14H17NO3 1 685.73 5580 5731 M+Br 639803 405.265405 405.265876112841 577.5196280393286 326.34652 C18H18N2O4 1 688.34 5582 6140 M+Br 304398 425.2205745999999 425.2213264470272 495.31942064555204 346.3016895999999 C15H17F3N2O4 1 671.94 5585 4923 M+Br 113179 367.25872499999997 367.2587669787855 429.2783661953423 288.33984 C20H16O2 1 1054.25 5586 2147 M+Br 33072 245.09608500000002 245.0957084755989 244.0181286631195 166.1772 C8H10N2O2 1 592.39 5587 4401 M+Br 633027 342.2262081999999 342.2276639255104 523.191615537883 263.3073231999999 C15H18FNO2 1 810.3 5592 3644 M+Br 303804 309.15658500000006 309.15569631455907 265.8524208570865 230.23770000000005 C9H10O5S 1 718.72 5597 5059 M+Br 79869 373.349565 373.3497180623185 850.2741070055478 294.43068 C12H22O4S2 1 1196.79 5617 3902 M+Br 422594 320.20728499999996 320.206494599174 466.7850556413259 241.28839999999997 C14H15N3O 1 402.32 5620 7242 M+Br 321399 479.16331399999996 479.16513285023655 289.2275285209195 400.24442899999997 C15H21IN2O3 0 651.78 5627 1202 M+Br 7781 195.07716499999998 195.07666318191042 282.14363539904787 116.15827999999999 C6H12O2 1 721.88 5638 5565 M+Br 220490 397.26984499999986 397.271547975526 956.5952355032915 318.3509599999999 C14H14N4O3S 0 613.76 5642 2492 M+Br 16502 261.221365 261.22135315396537 774.244360332739 182.30248 C12H22O 1 811.87 5645 3815 M+Br 399450 316.28324499999997 316.2845101850979 705.8230779767275 237.36435999999995 C12H19N3S 1 934.13 5651 1898 M+Br 632831 232.05756499999995 232.05801473494606 995.2799434377412 153.13867999999997 C6H7N3O2 1 256.82 5652 2237 M+Br 738588 250.069545 250.06887985960472 593.0115144640421 171.15066000000002 C7H9NO4 0 532.01 5658 4706 M+Br 168562 357.13318499999997 357.1332297262678 555.668951655275 278.2143 C13H10O7 1 693.04 5661 3072 M+Br 67901 286.148005 286.14754678426226 372.54799795561905 207.22912000000002 C10H13N3O2 1 676.68 5665 4302 M+Br 711791 337.27426499999996 337.27348632873094 719.1807370005789 258.35537999999997 C17H22O2 1 976.04 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 5685 9192 M+Br 209804 610.7818050000001 610.7796979918538 286.93080686270184 531.86292 C18H33N3O3S6 1 945.11 5688 5372 M+Br 664414 389.34728500000006 389.34549246898507 890.1198273967087 310.42840000000007 C18H30O4 1 1098.2 5689 8635 M+Br 194684 565.264275 565.2636323042224 415.65585378669437 486.34539 C23H23IN2O2 0 890.96 5701 2555 M+Br 649517 264.144025 264.14306731025636 366.41987898883195 185.22514 C11H11N3 1 78.04 5705 3718 M+Br 727483 312.23164499999996 312.2317920555604 847.3499420130053 233.31275999999997 C12H19N5 1 180.94 5706 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 5714 3534 M+Br 123248 305.15288499999997 305.15275219436603 489.2716806117047 226.23399999999998 C12H10N4O 1 614.07 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 5725 4681 M+Br 288452 356.13214500000004 356.1339207801086 385.6544636888768 277.21326000000005 C11H14Cl2N2S 1 975.26 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 5739 2964 M+Br 299714 282.134545 282.13342243162083 411.8749458651725 203.21565999999999 C7H9NO4S 1 65.14 5744 2147 M+Br 483529 245.09608500000002 245.0957084755989 244.0181286631195 166.1772 C8H10N2O2 1 579.21 5755 5601 M+Br 194532 399.2559849999999 399.2574443994233 580.1331911341102 320.3370999999999 C17H20O6 1 802.38 5767 3731 M+Br 594725 313.126985 313.12805910108216 537.2069630145745 234.20809999999997 C11H10N2O4 1 624.12 5780 5178 M+Cl+HCOOH 572860 380.2416616 380.243090218165 619.5881859021617 299.2667896 C10H12F3NO4S 1 990 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 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 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 5830 1159 M+Cl+HCOOH 620894 192.07357199999998 192.07371016285555 341.8347689605208 111.09869999999998 C5H5NO2 0 243.7 5834 5983 M+Cl+HCOOH 129610 417.376032 417.37632317796226 891.4797521475354 336.40116 C14H24O7S 1 802.02 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 5855 4117 M+Cl+HCOOH 32873 329.252612 329.2513489102868 648.9144096553694 248.27773999999997 C13H16N2O3 1 564.73 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 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 5883 6827 M+Cl+HCOOH 385196 456.3689551999999 456.3677658590683 744.1035261190392 375.3940831999999 C19H22FN3O4 1 679.62 5890 4805 M+Cl+HCOOH 591136 361.2678951999999 361.26619324620276 623.8906302625074 280.2930231999999 C18H13FO2 1 1101.39 5893 6291 M+Cl+HCOOH 671367 431.2997319999999 431.2982477444725 630.5085539392057 350.3248599999999 C19H14N2O5 1 892.06 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 5908 9426 M+Cl+HCOOH 221463 629.6543520000001 629.6526445481538 274.23734027949206 548.6794800000001 C36H32N6 1 1366.24 5919 3018 M+Cl+HCOOH 95846 284.168932 284.1689306683844 335.56627995454926 203.19405999999998 C11H9NO3 1 652.51 5926 3152 M+Cl+HCOOH 345070 289.1585319999999 289.158492721957 785.7683615222518 208.18365999999995 C16H9Li 1 1119.95 5939 1405 M+Cl+HCOOH 43249 206.10015199999998 206.1003685366936 289.31351096184545 125.12527999999998 C6H7NO2 1 635.24 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 5951 3408 M+Cl+HCOOH 928 300.254452 300.2530553083684 797.6890396003338 219.27957999999998 C13H17NO2 1 703.98 5963 5212 M+Cl+HCOOH 182415 382.29531199999997 382.29512179749145 740.5952261077459 301.32043999999996 C14H11N3O3S 1 805.5 5979 1909 M+Cl+HCOOH 114301 232.13743200000002 232.13750818103284 229.43733055665072 151.16256 C8H9NO2 0 618.35 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 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 6005 3210 M+Cl+HCOOH 614240 292.082363 292.08381075019014 357.20437228481785 211.10749099999998 C7H9NaO4P+ 1 93.17 6029 3843 M+Cl+HCOOH 167695 317.286512 317.28789638263345 734.8959884267188 236.31164 C16H16N2 1 617.39 6041 5462 M+Cl+HCOOH 8739 393.2119919999999 393.2121601984224 559.4186983718693 312.2371199999999 C14H8N4O5 1 716.36 6046 6111 M+Cl+HCOOH 90297 423.4365719999999 423.43846359913687 1067.70853950741 342.4616999999999 C15H10N4S3 1 747.89 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 6078 1142 M+Cl+HCOOH 9060 191.085512 191.08578318680287 766.2510663583064 110.11063999999999 C6H6O2 1 661.47 6084 2828 M+Cl+HCOOH 477775 275.205232 275.2045175744496 476.5793191517112 194.23036000000002 C10H14N2O2 1 597.77 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 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 6119 2103 M+Cl+NaCOOH 590394 243.05368899999996 243.0547122467765 275.8127945607703 140.09685999999996 C5H4N2O3 1 534.63 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 6137 5529 M+Cl+NaCOOH 260849 395.3317290000001 395.33208417431035 843.5080639077178 292.3749000000001 C19H20N2O 1 637.12 6142 3153 M+Cl+NaCOOH 417333 289.165189 289.16467925041195 514.1906057149135 186.20836 C8H14N2O3 1 112.83 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 6167 5008 M+Cl+NaCOOH 630217 371.288869 371.289930507917 643.4974556201536 268.33204 C12H16N2O3S 1 519.16 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 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 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 6199 2867 M+Cl+NaCOOH 666765 277.156029 277.1547346111112 446.1369115610323 174.1992 C10H10N2O 1 616.16 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 6210 4902 M+Cl+NaCOOH 270702 366.24744899999996 366.24811979886016 516.8000613786311 263.29061999999993 C17H13NO2 1 1168.64 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 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 6245 4821 M+Cl+NaCOOH 602761 362.23574900000006 362.23564335102583 601.4318539762032 259.27892 C10H13NO5S 1 701.35 6249 3153 M+Cl+NaCOOH 357668 289.16518900000005 289.16467925041195 514.1906057149135 186.20836000000003 C8H14N2O3 1 682.38 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 6282 2846 M+Cl+NaCOOH 94204 276.16796899999997 276.16782515397495 989.6646444656474 173.21114 C11H11NO 1 831.31 6295 6972 M+Cl+NaCOOH 192207 464.211509 464.2122722304134 542.8065898888932 361.25468 C13H17BrN2O3S 1 711.5 6316 6245 M+Cl+NaCOOH 639803 429.303349 429.30274786266716 626.6364992353829 326.34652 C18H18N2O4 1 688.34 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 6349 5709 M+Cl+NaCOOH 182415 404.27726899999993 404.2790828711569 627.6311216809042 301.32043999999996 C14H11N3O3S 1 805.5 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 6369 2822 M+Cl+NaCOOH 141937 275.16504899999995 275.1640939859354 988.5461075472089 172.20821999999998 C5H8N4OS 1 392.89 6376 5094 M+Cl+NaCOOH 30657 375.236049 375.2375242783733 616.7590789466151 272.27922 C13H8N2O3S 1 867.49 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 6387 3671 M+Cl+NaCOOH 67901 310.18594900000005 310.18632501897423 464.20008961124734 207.22912000000002 C10H13N3O2 1 676.68 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 6406 8816 M+Cl+NaCOOH 501825 577.3710089999998 577.3736143419442 723.5581298950942 474.4141799999998 C23H22O11 1 735.33 6410 4043 M+Cl+NaCOOH 546950 326.26816900000006 326.2686016390845 858.5598036799272 223.31134000000003 C13H21NO2 1 375.86 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 6433 5970 M+Cl+NaCOOH 270997 417.2462889999998 417.2482036194748 657.9249745355712 314.28945999999985 C17H14O6 1 836.14 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 6458 3250 M+Cl+NaCOOH 363681 293.238249 293.2387655777486 664.1638061874594 190.28142 C13H18O 1 862.66 6462 4541 M+Cl+NaCOOH 124083 349.218689 349.2179873600888 864.9566011977478 246.26185999999998 C13H14N2O3 1 704.17 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 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 6486 3760 M+Cl+NaCOOH 495045 314.174649 314.17383200255296 455.2402369832595 211.21782 C9H13N3O3 1 554.76 6490 7890 M+Cl+NaCOOH 661077 516.2054489999998 516.2073653969563 465.29995626611213 413.24861999999985 C19H18Cl2O6 1 880.83 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 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 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 6526 4274 M-H+CF3COOH 615332 336.25386599999996 336.25263062621815 706.3466433355037 223.26827999999998 C12H17NO3 1 433.35 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 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 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 6571 4676 M-H+CF3COOH 482409 355.258746 355.25890267688976 412.32117932634367 242.27315999999996 C14H14N2O2 1 664.76 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 6586 7377 M-H+CF3COOH 227042 486.30436600000013 486.30538219803543 714.0386220708393 373.3187800000001 C21H22Cl2N2 1 773.57 6589 4584 M-H+CF3COOH 614851 351.22698599999995 351.2276436846247 539.858707837819 238.24139999999997 C14H10N2O2 1 664.41 6600 5122 M-H+CF3COOH 410826 377.146546 377.14532200143293 407.5370615952761 264.16096 C13H14BrN 1 945.01 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 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 6627 4040 M-H+CF3COOH 528445 326.217526 326.2173992947892 559.4069383054612 213.23194 C13H11NO2 1 712.1 6634 1370 M-H+CF3COOH 475630 204.094646 204.0949334377926 271.1468397536218 91.10906 C3H9NO2 1 206.36 6642 5029 M-H+CF3COOH 602761 372.26450600000004 372.2648954211529 666.0087688572794 259.27892 C10H13NO5S 1 701.35 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 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 6660 3308 M-H+CF3COOH 390010 296.194846 296.1939544040327 604.2199323108148 183.20926 C11H9N3 1 614.97 6664 2796 M-H+CF3COOH 367738 274.142966 274.1437850055192 508.8373134628499 161.15738000000002 C9H7NO2 1 679.35 6675 5560 M-H+CF3COOH 274612 397.20600599999995 397.20780554413784 355.13716546880363 284.22041999999993 C15H8O6 1 784.78 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 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 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 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 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 6735 4087 M-H+CF3COOH 566806 328.1574156 328.1574591461231 467.90466627530054 215.17182959999997 C10H8F3NO 1 777.04 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 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 6776 3653 M-H+CF3COOH 130139 309.274886 309.2760089302649 886.3894017859195 196.28929999999997 C11H20N2O 1 694.49 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 6790 4774 M-H+CF3COOH 621958 360.20060600000005 360.2018556382838 399.36447417032673 247.21502000000004 C12H23Br 1 1391 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 6797 4023 M-H+CF3COOH 710345 325.274286 325.27364618042014 718.5851049205214 212.2887 C11H20N2O2 1 88.67 6806 4479 M-H+CF3COOH 671356 346.185746 346.185791329022 418.923276596216 233.20016 C11H9N2O4- 1 640.32 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 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 6818 3483 M-H+CF3COOH 244553 303.180886 303.17999939922083 561.0852325365171 190.1953 C11H10O3 1 783.2 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 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 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 6846 5051 M-H+CF3COOH 635545 373.24109559999994 373.24092267244436 464.60379730475984 260.2555095999999 C12H15F3N2O 1 572.05 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 6861 6574 M-H+CF3COOH 287500 445.242106 445.2407270051862 760.3396612869162 332.25651999999997 C13H18BrNO2S 1 992.95 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 6873 4358 M+Cl+CF3COOH 656133 340.256644 340.2561181426761 650.420749233692 191.29438 C7H17N3OS 1 494.58 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 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 6907 3588 M+Cl+CF3COOH 69705 307.122304 307.1221917547819 255.5493490344312 158.16003999999998 C8H6N4 1 436.93 6929 5178 M+Cl+CF3COOH 569774 380.24339933399995 380.243090218165 619.5881859021617 231.28113533399997 C13H14D3NaO2 1 932.66 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 6942 3486 M+Cl+CF3COOH 415103 303.214884 303.21636693446874 585.8365715949037 154.25261999999998 C9H18N2 1 48.53 6951 6127 M+Cl+CF3COOH 180855 424.328244 424.3261460109253 739.4488740244813 275.36598 C15H17NO2S 1 1114.5 6954 6317 M+Cl+CF3COOH 563023 432.3104839999999 432.3096570258115 595.2405659483645 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 6965 6355 M+Cl+CF3COOH 67750 434.30476400000003 434.30311460482267 1004.0261635720167 285.34250000000003 C19H15N3 1 632.81 6977 4464 M+Cl+CF3COOH 359808 345.248264 345.2466444144417 535.5003568059693 196.286 C12H20O2 1 888.55 6984 3965 M+Cl+CF3COOH 666765 323.161464 323.1600945158549 375.7109980936974 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 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 7018 2456 M+Cl+CF3COOH 674916 260.104024 260.1030418379502 294.730361972979 111.14175999999999 C6H9NO 0 765.23 7022 4176 M+Cl+CF3COOH 29662 332.168224 332.1682285530941 242.24082980300585 183.20595999999998 C12H9NO 1 743.2 7029 7709 M+Cl+CF3COOH 139519 505.35306399999996 505.35232416831445 597.8246042770809 356.39079999999996 C16H20O7S 1 923.44 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 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 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 7072 5904 M+Cl+CF3COOH 113085 414.26722399999994 414.2688969708181 534.5035464749453 265.30495999999994 C14H19NO4 1 181.98 7081 6317 M+Cl+CF3COOH 228314 432.310484 432.3096570258115 595.2405659483645 283.34821999999997 C15H13N3OS 1 754.5 7083 4808 M+Cl+CF3COOH 83741 361.29402400000004 361.29423438900244 658.022169395471 212.33176000000003 C12H24N2O 1 555.68 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 7106 7112 M+Cl+CF3COOH 587261 471.29196719999993 471.29146368420624 542.5750304525819 322.3297031999999 C20H15FO3 1 1069.43 7111 3786 M+Cl+CF3COOH 61947 315.1786336 315.1772969830603 203.95636163623425 166.21636959999998 C6H9F3Si 1 1010.62 7118 7182 M+Cl+CF3COOH 610530 475.30548399999986 475.3039334612601 664.7190193447285 326.34321999999986 C19H18O5 1 845.23 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 7152 3244 M+Cl+CF3COOH 4971 293.173704 293.1745522085238 707.1330845926343 144.21143999999998 C8H16O2 1 815.11 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 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 7169 3391 M+Cl+CF3COOH 562621 300.12812399999996 300.1266821899818 426.1671881745299 151.16585999999998 C7H9N3O 1 165.09 7171 5692 M+Cl+CF3COOH 22612 403.28764399999994 403.2882926238218 575.5277761955617 254.32537999999994 C13H22N2O3 1 738.25 7184 3099 M+Cl+CF3COOH 13515 287.169124 287.168148891961 479.48926430472085 138.20686000000003 C9H14O 1 852.3 7186 4835 M+Cl+CF3COOH 727054 363.1460336 363.14750854968884 454.43299386381955 214.18376959999998 C11H9F3O 1 1058.91 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 7207 7309 M+Cl+CF3COOH 547133 482.34448399999997 482.3435170166841 948.6832915127588 333.38221999999996 C17H23N3O4 0 431.16 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 7234 3651 M+Cl+CF3COOH 690585 309.239304 309.23964015972786 867.9633474118493 160.27704 C8H16OS 1 799.66 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 7251 5094 M+Cl+CF3COOH 371848 375.235685 375.2375242783733 616.7590789466151 226.27342099999998 C8H19O3PS 1 742.9 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 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 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 7280 7776 M+Cl+CF3COOH 559919 509.382594 509.3824266297794 651.0531380361837 360.42033 C19H29NaO5 1 691.93 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 7304 4563 M+Cl+CF3COOH 522334 350.271384 350.27312516899235 220.47133920161895 201.30912 C10H23N3O 1 162.36 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 7322 5946 M+Cl+CF3COOH 221693 416.2846439999999 416.2845885476811 465.36251410970874 267.3223799999999 C17H17NO2 0 938.85 7344 2799 M+H-2H2O 137924 274.17448399999995 274.1732805510308 571.8690484223741 309.18715999999995 C16H14Cl2O2 1 1093.05 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 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 7356 8286 M+H-2H2O 247082 540.3925040000001 540.3918834161944 1101.6737250859842 575.4051800000001 C26H27BrN2O8 0 716.73 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 7396 1418 M+H-2H2O 610152 207.04398400000002 207.04339414300324 151.72712122896343 242.05666000000002 C7H9Cl2NO4 0 845.42 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 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 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 7454 537 M+H-H2O 45751 156.11040000000003 156.11022927900606 420.14835123085555 173.11310000000003 C4H10Cl2OSi 1 909.09 7462 5372 M+H-H2O 110891 389.34565999999995 389.34549246898507 890.1198273967087 406.34835999999996 C20H14N4O6 1 797.94 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 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 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 7527 6711 2M+H 536995 451.17759599999994 451.1781147935026 518.5833184337762 225.08515999999997 C9H9BrN2 1 620.84 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 7537 7371 2M+H 11024 486.2324887999998 486.23343972543876 579.2390974535571 242.61260639999992 C9H5ClF2N4 1 817.62 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 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 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 7596 1739 2M+H 248747 225.08807599999994 225.08697989181562 251.0934649539957 112.04039999999998 C4O4-- 1 528.66 7598 8368 2M+H 597697 547.256596 547.258491912834 368.6617150753251 273.12465999999995 C14H9BrO 1 1016.79 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 7633 12360 3M+H 129610 1010.2107560000001 1010.2087905992439 1021.5867580036722 336.40116 C14H24O7S 0 802.02 7650 10775 3M+H 274506 781.614236 781.6174063081485 1148.618067714799 260.20232 C12H8N2O5 1 462.94 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 7676 12289 3M+H 260243 997.9168759999999 997.9133525892283 376.59991413230864 332.30319999999995 C14H20O9 0 824.12 7683 11240 3M+H 336192 839.2004960000004 839.2006163608451 319.8437229664477 279.3977400000001 C15H21NO2S 0 951.4 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 7701 10482 3M+H 402354 749.0032759999999 749.0057427318302 249.22681915790514 249.33199999999997 C12H15N3OS 0 678.41 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 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 7727 1750 M+H 666238 225.195796 225.19619238008187 1019.2596478886063 224.18852 C6H8O7S 1 467.64 7730 6595 M+H 659900 446.23707599999994 446.2370945376174 566.5095754841493 445.22979999999995 C10H20BrCl3Sn 1 819.34 7732 5199 M+H 660832 381.3399559999998 381.3398899398511 882.5185131639475 380.3326799999998 C14H12N4O7S 1 735.63 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 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 7747 2410 M+H 353252 257.2672559999999 257.26680474356044 903.3543243337456 256.2599799999999 C13H12N4O2 1 638.89 7755 1924 M+H 359010 233.11701599999998 233.11728582086317 595.0933750635126 232.10974 C9H11Cl2N3 1 560.83 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 7761 2198 M+H 578960 247.24101919999995 247.24185140196192 875.365671891149 246.23374319999996 C14H11FO3 1 814.63 7763 2917 M+H 506223 280.136516 280.137118335819 416.9175900517168 279.12924 C13H11BrO2 1 935.02 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 7779 5080 M+H 518752 374.30429599999985 374.3027981990838 873.7452187748213 373.29701999999986 C16H13N4O7+ 1 624.86 7780 3907 M+H 303934 320.2421055999999 320.2432502479087 563.1840529600545 319.2348295999999 C16H8F3NO3 1 918.19 7781 440 M+H 373981 150.092257 150.0915520498209 325.8501325979891 149.084981 C4H8NO3P 1 588.75 7782 5645 M+H 321399 401.25170499999996 401.25287088671695 708.7225858548553 400.24442899999997 C15H21IN2O3 1 651.78 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 7790 672 M+H 89678 165.163756 165.16393933275822 728.1461260467846 164.15648000000002 C6H12O5 1 397.82 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 7807 2892 M+H 288452 278.22053600000004 278.21970687964455 695.5463424384441 277.21326000000005 C11H14Cl2N2S 1 975.26 7810 2376 M+H 537351 256.161476 256.16226944063226 556.8139682096138 255.15419999999997 C11H15BrN2 1 811.63 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 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 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 7852 6743 2M+2H 98026 453.1471159999999 453.1482752238792 400.1625579206258 452.13983999999994 C18H16Br2N2O2 1 888 7856 2707 2M+2H 381968 270.14169599999997 270.1415685120245 547.3383034807309 269.13442 C12H13BrO2 1 878.54 7862 9959 2M+2H 258794 686.4254256000002 686.4259347981649 645.7318003001892 685.4181496000001 C31H16BrF3O8S 1 1287.39 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 7872 1467 2M+2H 345070 209.19093599999994 209.1901132149483 930.2957726684666 208.18365999999995 C16H9Li 1 1119.95 7880 3489 2M+2H 291339 303.2495759999999 303.24895886523734 889.8763498671526 302.2422999999999 C13H10N4O5 1 731.72 7896 3815 2M+2H 201607 316.2847959999999 316.2845101850979 705.8230779767275 315.2775199999999 C16H13NO6 1 766.24 7905 1539 2M+2H 365964 214.07843599999998 214.079435200523 418.57354927803544 213.07116 C9H9BrO 1 905.99 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 7916 1539 2M+2H 590516 214.07843599999998 214.079435200523 418.57354927803544 213.07116 C9H9BrO 1 751.6 7934 4282 3M+2H 629397 337.08833599999997 337.08887390079644 403.07552233943693 224.05404 C9H6BrNO 1 732.92 7943 7015 3M+2H 587155 466.40902039999975 466.4090588137509 947.101064448525 310.26782959999986 C16H13F3O3 1 1041.01 7952 3946 3M+2H 677125 322.21603039999997 322.21656509058596 812.2070470727019 214.1391696 C7H9F3O4 1 747.94 7963 8077 3M+2H 263511 528.2350160000001 528.2329102114453 441.71096647732645 351.48516000000006 C22H29N3O 1 788.97 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 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 7986 592 3M+2H 445333 160.0976375 160.0971961061114 250.7801788083924 106.060241 C3H7O2P 0 302.82 7994 8788 3M+2H 316106 574.750796 574.7520214843458 351.02145787525615 382.49568 C30H22 0 1106.15 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 8011 4168 3M+2H 608852 331.3391960000001 331.3400391979087 836.3844520532764 220.22128000000004 C12H12O4 1 709.04 8013 2385 3M+2H 207056 256.2139508 256.2140880956279 771.1317698047767 170.13778320000003 C8H7FO3 1 682.6 8017 3715 3M+2H 603552 312.190766 312.19144770370804 266.9990216497401 207.45566 C5H4BrClN2 1 710.54 8029 2514 3M+2H 81566 262.2517303999999 262.253031531197 874.966816546295 174.16296959999994 C9H9F3 1 953.7 8031 8081 3M+2H 609966 528.2624660000001 528.2606117149752 368.8351189481124 351.50346 C19H29NO3S 0 1097.47 8052 228 M+2H 138184 134.068606 134.0684237117552 450.75299946994795 266.12266 C13H9Cl2NO 1 949.53 8060 1075 M+2H 67505 187.08647099999996 187.08671266037913 263.0340732805382 372.15838999999994 C13H13IN2O3 0 640.46 8063 2099 2M+3H 487154 242.2489160000001 242.24775946504238 877.463464150815 361.8624600000001 C20H24ClNO3 1 741.32 8083 1331 2M+3H 583013 202.1062024 202.10665055104008 389.42886385585734 301.6483896 C13H7ClF3NO2 1 863.29 8100 1877 3M+3H 543120 231.101136 231.10174771528952 528.3710116535013 230.09385999999998 C9H9Cl2N3 1 536.43 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 8121 6596 3M+3H 659900 446.2370759999999 446.23835619586544 576.4756964523424 445.22979999999995 C10H20BrCl3Sn 1 819.34 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 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 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 8161 2701 3M+3H 588237 270.10193599999997 270.1026940442086 867.3717011453278 269.09466 C10H9BrN2O2 1 796.19 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 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 8196 4698 3M+3H 868693 356.3537159999999 356.35224822435407 864.256918624386 355.3464399999999 C14H21N5O6 1 594.64 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 8223 4168 2M+NH4 610987 331.33886299999995 331.3400391979087 836.3844520532764 156.65251999999998 C9H13Cl 1 998.17 8230 2167 2M+NH4 494414 246.1170086 246.1161569507477 467.29252779185276 114.04159279999999 C3H2F4 1 750.59 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 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 8276 8353 2M+NH4 575927 545.386623 545.3856022873347 934.6588350925958 263.6764 C13H10ClNO3 1 761.3 8300 5660 2M+NH4 395178 402.2116486 402.21235513618683 518.6651833651227 192.0889128 C3F4O3S 0 761.21 8313 10993 2M+NH4 674222 807.2623029999999 807.2620201880393 1062.3568853476008 394.61423999999994 C20H26O2S3 0 1083.62 8317 10532 2M+NH4 660034 755.1879030000002 755.1861304445672 953.2745943793803 368.5770400000001 C20H36N2O2S 0 1148.18 8340 12441 3M+NH4 358590 1024.2228429999998 1024.2223702187098 1045.209268244171 335.39633999999995 C21H21NO3 0 881.07 8346 6426 3M+NH4 590394 438.32440299999985 438.3229784679749 773.6661145199419 140.09685999999996 C5H4N2O3 1 534.63 8351 7042 3M+NH4 310532 468.1849629999999 468.18616736102814 441.33269138333037 150.05038 CH2N4O5 0 499.11 8357 6582 3M+NH4 801 445.78246299999995 445.7820631176071 488.95511409015575 142.58288 C7H7ClO 1 734.64 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 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 8387 12250 3M+NH4 136228 991.2841029999998 991.2798198102975 1219.6930260856782 324.41675999999995 C20H24N2O2 0 653.09 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 8414 12052 3M+NH4 401337 955.5055030000001 955.5027370135858 686.9864833489751 312.49056 C16H24O2S2 1 970.22 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 8425 9548 3M+NH4 495953 639.0253126 639.0254111000569 520.7782441487395 206.9971632 C6H4BrFO2 0 704.71 8440 11722 3M+NH4 169514 910.0934230000003 910.0950424002692 552.561480301963 297.3532000000001 C20H15N3 1 1041.43 8447 12285 3M+NH4 48908 997.45102299999985 997.4524207677398 508.9406767099765 326.47239999999994 C22H30O2 0 1033.73 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 8466 3157 M+NH4 100703 289.184123 289.1839465016735 386.3960673245539 271.1503 C12H15BrO2 1 1066.69 8471 2718 M+NH4 622530 270.214143 270.21472079441287 720.0515804233746 252.18032 C10H8N2O6 1 44.76 8475 4588 M+NH4 97481 351.25504299999994 351.2567941338304 798.2625412875738 333.22121999999996 C20H13Br 1 1098.8 8478 3201 M+NH4 89055 291.21018399999997 291.21027712768995 940.4736660738066 273.176361 C10H14NNa2O3P 1 640.45 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 8485 1949 M+NH4 728317 234.20711580000003 234.2062108447137 1194.5601204518919 216.1732928 C8H12F4O2 1 774.47 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 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 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 8549 2962 M+NH4 614276 282.115333 282.1163315881728 246.81936510758564 264.08151000000004 C7H6Cl2NaO3S+ 1 775.35 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 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 8588 10428 2M+H+NH4 549420 740.5207295000002 740.521210946438 1083.6308839086441 731.0001800000002 C43H42N2O3S3 1 952.78 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 8615 8340 2M+H+NH4 228623 544.4719095000003 544.4706551971497 1203.386365609502 534.9513600000002 C27H34Cl3N5 1 630.36 8627 1915 2M+H+NH4 255396 232.19138949999999 232.1910801426402 424.9968761043406 222.67084 C11H11ClN2O 1 946.71 8631 4634 2M+H+NH4 598508 354.0994095000004 354.1008255312362 521.287030366839 344.57886000000036 C19H44N4O 1 423.52 8633 6885 3M+H+NH4 572860 458.42073389999996 458.41946087021336 930.7882962988118 299.2667896 C10H12F3NO4S 1 990 8642 4558 3M+H+NH4 436149 350.23174950000003 350.2327027486733 626.4417048401548 227.1408 C11H15Br 1 1052.78 8658 9491 3M+H+NH4 322532 634.2814694999998 634.2809044221667 165.28868321314582 416.50727999999987 C24H32O6 0 901.33 8678 9837 3M+H+NH4 624048 672.4412294999998 672.4435882105292 419.89181903798266 441.94711999999987 C25H28ClNO4 0 1412.9 8695 6052 3M+H+NH4 626679 421.1868495000001 421.18848563476115 412.2192496241828 274.4442000000001 C18H30N2 1 323.5 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 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 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 8750 6564 3M+H+NH4 734371 445.1213594999999 445.11972502510525 881.9698609920766 290.4005399999999 C17H26N2O2 0 585.67 8754 6410 3M+H+NH4 621759 437.2369995000001 437.2376401676642 632.3137810393494 285.14430000000004 C9H10Cl2O4S 1 864.54 8757 4385 3M+H+NH4 365867 341.2798695 341.2797630359338 402.6103066133757 221.17288 C8H7N5O3 1 585.3 8762 3580 M+H+NH4 136481 306.8945795000001 306.8944053816367 1150.2031680097894 594.7480600000001 C29H34N6O4S2 0 764.89 8782 349 M+H+NH4 720010 143.11863 143.11809225554134 801.7409758555013 267.196161 C7H10NO6PS 1 264.69 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 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 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 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 8852 8120 2M+Na 617576 531.149258 531.1480521160883 605.5675701031568 254.08002000000002 C10H8BrNO2 1 670.55 8861 8517 2M+Na 270448 556.4390980000001 556.4413310425708 917.5304072291152 266.72494 C16H11ClN2 0 934.97 8863 7312 2M+Na 655460 482.362458 482.36199822896776 909.2799440120125 229.68662 C8H8ClN3OS 0 685.43 8875 6970 2M+Na 563586 464.1901907999999 464.1907991013237 534.8368061507033 220.60048639999997 C9H7ClF2O2 0 972.46 8878 4804 2M+Na 126699 361.258778 361.2591310433705 757.364010846508 169.13478 C7H7NO4 1 661.04 8889 11286 2M+Na 119605 843.7362579999995 843.7371735324073 514.1699351764914 410.3735199999997 C22H18O8 0 1003.45 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 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 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 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 8933 7953 2M+Na 250069 519.3065972 519.3091189564567 674.723537484507 248.1586896 C9H7F3N2O3 1 746.14 8949 11904 3M+Na 132541 934.2099979999999 934.2059162159504 300.37233716582375 303.74026 C16H14ClNO3 1 825.42 8951 9297 3M+Na 511273 617.5271180000001 617.5251693738903 809.763259143147 198.1793 C7H10N4O3 1 491.95 8960 2954 3M+Na 435010 281.266838 281.26675751798297 854.5909284671676 86.09254 C3H6N2O 1 253.93 8968 4560 3M+Na 208491 350.24757800000003 350.24685270276143 866.1879585419958 109.08612000000001 C4H3N3O 1 484.45 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 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 8990 12701 3M+Na 540307 1071.3129979999999 1071.3119879563528 1137.1896522681873 349.44126 C20H29O5- 0 802.01 8996 11325 3M+Na 189636 849.2760980000002 849.2795849355393 216.4523723754001 275.42896 C18H29NO 1 665.56 9004 10448 3M+Na 715003 744.0048980000001 744.0055653979505 281.8108327829442 240.33856000000003 C14H24O3 0 779.44 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 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 9034 10806 3M+Na 446326 786.039398 786.0374880074157 271.3026517679516 254.35005999999998 C15H14N2S 0 829.87 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 9052 5484 M+Na 212516 394.195658 394.1964204313557 449.0838843844151 371.20644 C13H11BrN2O4S 1 835.03 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 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 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 9085 1608 M+Na 239668 217.196358 217.19527811877344 692.9425097154417 194.20714 C9H6O3S 1 723.85 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 9091 7772 M+Na 662246 509.31597800000014 509.3145568797002 747.0927714690772 486.32676000000015 C22H34Br2N2 1 1272.12 9098 710 M+Na 31252 167.11783799999998 167.11798357732255 261.1558898904729 144.12861999999998 C5H8N2O3 1 608.9 9115 5569 M+Na 733058 397.33427800000004 397.3353087666703 832.710694284094 374.34506000000005 C19H29Cl2NO2 1 901.37 9124 4072 M+Na 533128 327.2871579999999 327.2885223943134 932.1895427205701 304.2979399999999 C15H16N2O5 1 643.14 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 9132 4648 M+Na 446587 354.2514507999999 354.25109089609265 697.8784162823011 331.2622327999999 C15H13F4NO3 1 933.11 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 9144 2889 M+Na 45400 278.183378 278.18246885899805 661.7644460977897 255.19415999999998 C6H9N9O3 1 156.48 9150 3097 M+Na 435672 287.15017800000004 287.14896583985995 456.709984404163 264.16096000000005 C13H14BrN 1 784.59 9153 3077 M+Na 710329 286.192178 286.1918853506461 414.6733969999725 263.20296 C12H9NO6 1 732.56 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 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 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 9192 2013 M+Na 428165 238.1428044 238.1439351984876 481.4472615198604 215.1535864 C9H7F2NO3 1 703.58 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 9205 5766 M+Na 272396 407.2511180000001 407.2514232307374 638.4425891856029 384.2619000000001 C19H15Cl2N5 1 738.11 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 9225 2131 M+Na 365867 244.162098 244.16250727455758 536.7919498052757 221.17288 C8H7N5O3 1 585.3 9235 1843 2M+H+Na 723512 229.19416700000005 229.19487346943342 677.1612645020398 217.19592000000006 C9H13O6- 1 710.23 9239 1142 2M+H+Na 736190 191.08512699999997 191.08578318680287 766.2510663583064 179.08687999999998 C8H12Cl2 1 1026.63 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 9256 4605 2M+H+Na 207499 352.3067701999999 352.305300782152 828.5339417444324 340.3085231999999 C17H13FN4O3 1 789.28 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 9266 5222 2M+H+Na 716639 383.1346270000001 383.13479369734137 352.2833620505736 371.1363800000001 C17H32OSn 1 576.09 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 9279 3444 2M+H+Na 571279 302.0312802 302.03250697279736 275.1055505796448 290.03303320000003 C8H4FIN2O 0 734.19 9296 4319 2M+H+Na 610530 338.34146699999985 338.34165722429464 1019.9979053568333 326.34321999999986 C19H18O5 1 845.23 9303 3374 2M+H+Na 490257 299.14794699999993 299.1492137337234 523.2814604779858 287.14969999999994 C12H15BrO3 0 918.77 9315 2076 2M+H+Na 10453 241.199127 241.19913190821012 647.5963138847587 229.20088 C6H7CaNO6 1 113.71 9327 1026 2M+H+Na 304907 184.141807 184.141468282604 534.4434241033906 172.14356 C8H4N4O 1 677.56 9330 5134 2M+H+Na 255447 377.2913869999998 377.2899066557363 603.9843838273839 365.2931399999998 C19H11NO7 1 701.36 9344 3829 2M+H+Na 135625 317.1602470000001 317.161276123048 549.8964627941077 305.1620000000001 C14H10Cl2N4 1 983.14 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 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 9361 4730 2M+H+Na 106828 358.20556699999986 358.2072681195887 349.652390336072 346.20731999999987 C18H13Cl2NO2 1 1174.27 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 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 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 9393 11662 3M+H+Na 229825 899.7421070000004 899.7393600408197 274.8591205527565 591.8292400000003 C23H36Cl5N5O2 1 508.87 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 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 9413 7615 3M+H+Na 54693 499.3312370000002 499.3302487706175 867.3878714769908 324.88866000000013 C18H29ClN2O 1 692.73 9418 776 3M+H+Na 445333 171.0886085 171.0878879281513 199.47155834235596 106.060241 C3H7O2P 0 302.82 9424 7427 3M+H+Na 398241 489.96232700000024 489.9624311875714 995.6165730334608 318.64272000000017 C16H38O2Si2 1 681.86 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 9442 9485 3M+H+Na 118697 633.3683353999996 633.3665810113592 613.614133735163 414.24672559999976 C17H10F8O3 1 1262.75 9456 7133 3M+H+Na 672901 472.9010270000001 472.9005342497702 1023.7448358049447 307.2685200000001 C17H23Br 0 1200.78 9480 194 M+H+Na 314655 131.10720750000002 131.10683254417552 382.11364144182244 238.21792100000002 C9H19O5P 1 758.81 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 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 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 9520 183 M+H+Na 855613 130.086287 130.08659587521672 807.4413256130211 236.17608 C8H12O8 1 580.4 9524 1927 M+2H+Na 860556 233.1383506666668 233.13810084722422 496.69816065238524 674.4112820000004 C20H24N10O13P2 1 627.62 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 9551 1363 M+CH3OH+H 381567 203.178987 203.17968375657006 657.7322746418059 170.145501 C8H11O2P 1 652.04 9563 3230 M+CH3OH+H 555479 292.2842323999999 292.28442714286837 882.0281560140897 259.2507463999999 C15H11F2NO 1 993.06 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 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 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 9592 1264 M+CH3OH+H 571542 198.18616600000001 198.1854923493127 861.2370251735308 165.15268 C6H7N5O 1 297.37 9595 1840 M+CH3OH+H 36371 229.15384600000004 229.15495722222653 210.03148617508995 196.12036000000003 C6H4N4O4 1 580.55 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 9620 1200 M+CH3OH+H 7199 195.05008600000002 195.05089709047328 239.54340993210423 162.0166 C6H5Cl2N 1 721.41 9624 4906 M+CH3OH+H 127920 366.374186 366.37282818961774 1005.270552271677 333.3407 C19H15N3O3 1 844.73 9627 4530 M+CH3OH+H 201607 348.3110059999999 348.3106174563931 901.2429626240344 315.2775199999999 C16H13NO6 1 766.24 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 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 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 9650 4133 M+CH3OH+H 586092 330.1668859999999 330.1662236335434 308.1773031833418 297.13339999999994 C14H10Cl2O3 1 1041.24 9681 5589 2M+K 483980 398.255358 398.25410866969537 565.3037693235789 179.6461 C10H10ClN 1 894.52 9697 2485 2M+K 620894 261.160558 261.16002847667113 399.20166671049583 111.09869999999998 C5H5NO2 1 243.7 9701 9262 2M+K 411488 615.5163600000003 615.5182219008431 1102.756914576732 288.27660100000014 C13H21O5P 1 723.39 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 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 9734 4876 2M+K 556205 365.15769720000003 365.15815756024284 437.6798504310179 163.0972696 C6H4F3NO 1 702.35 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 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 9764 8429 2M+K 694100 551.4326400000002 551.4345157289447 958.5935672937314 256.2347410000001 C12H17O4P 1 715.42 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 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 9790 2872 2M+K 539006 277.20147799999995 277.2015300997648 872.4234001043764 119.11915999999998 C4H9NO3 1 65.6 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 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 9808 1362 2M+K 26131 203.16423799999998 203.1642732224213 597.3025285560702 82.10054 C5H6O 1 596.71 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 9821 11314 2M+K 213303 848.2739980000002 848.2774602159467 216.001995596256 404.6554200000001 C21H28N2S3 1 1200.14 9836 3790 2M+K 553390 315.217838 315.21669206425696 615.7944045915042 138.12733999999998 C5H6N4O 1 328.21 9840 10842 2M+K 229279 789.6221179999997 789.6190599683307 1154.6171366452877 375.3294799999998 C18H17NO8 1 651.45 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 9863 11913 3M+K 188526 935.1991780000001 935.1993319834306 319.9771472994838 298.74534 C12H11ClN2O3S 1 815.33 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 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 9905 11896 3M+K 435103 933.192808 933.1949936249788 1003.9043437315995 298.07655 C11H7IO2 1 859.67 9910 10665 3M+K 332812 768.1253980000001 768.1269976256493 1008.6256344302094 243.05408000000003 C9H7BrO3 0 769.99 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 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 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 9968 2785 M+K 361047 273.217618 273.2172363491564 497.7078400614246 234.25446 C11H14N4O2 1 140.17 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 9995 1393 M+K 849101 205.137058 205.13752997092803 171.30923956294782 166.1739 C9H10O3 1 680.8 10000 974 M+K 48261 181.158718 181.15868140606224 949.3716267270293 142.19556 C8H14O2 1 828.53 10010 5530 M+K 139519 395.353958 395.3552869902878 894.8990640701437 356.39079999999996 C16H20O7S 1 923.44 10022 2386 M+K 526615 256.226858 256.22722722643596 650.0444585890059 217.2637 C13H15NO2 1 804.58 10027 5058 M+K 596193 373.33167799999995 373.3307591643264 981.98044917456 334.36851999999993 C20H18N2O3 1 1044.83 10039 1984 M+K 857490 236.20075799999995 236.2008685627769 625.5252100636621 197.23759999999996 C8H15N5O 1 523.2 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 10045 3911 M+K 235758 320.315558 320.3157055505727 925.6362957194972 281.3524 C8H15N3O4S2 1 499.69 10050 1792 M+K 478525 227.164178 227.16412035344058 544.0283414867819 188.20102 C7H8O4S 1 635.55 10066 1859 M+K 411175 230.147759 230.14692232786354 537.3928476325633 191.18460100000001 C8H16O3P+ 1 625.69 10079 1013 M+K 4971 183.17459799999997 183.1743663481576 696.7449882623489 144.21143999999998 C8H16O2 1 815.11 10090 2787 M+K 596147 273.25737799999996 273.25753914814254 907.5091304401626 234.29421999999994 C13H18N2O2 1 713.65 10091 6447 M+K 76892 439.3418843999999 439.3406818426504 707.2006906381982 400.3787263999999 C20H18F2N4O3 1 673.81 10094 2656 M+K 10453 268.164038 268.1648823846275 301.04126215999383 229.20088 C6H7CaNO6 1 113.71 10100 1498 M+K 141937 211.17137799999998 211.17134920443777 596.3658325724092 172.20821999999998 C5H8N4OS 1 392.89 10105 1162 M+K 632831 192.10183799999996 192.10201494665657 335.957096818511 153.13867999999997 C6H7N3O2 1 256.82 10106 2226 M+K 118950 249.09541079999994 249.09517758048824 354.3552979287871 210.13225279999995 C6H6F4N4 1 344.43 10109 6748 M+K 118697 453.2098835999998 453.2078199687093 540.4200215587929 414.24672559999976 C17H10F8O3 1 1262.75 10126 3076 M+K 578120 286.1849612 286.18425018007883 562.8748891842683 247.22180319999998 C13H10FNO3 1 708.11 10129 3858 M+K 54030 318.25317799999993 318.25415192174086 632.2806017578534 279.2900199999999 C17H13NO3 1 760.18 10130 2238 M+K 614240 250.07064899999997 250.07082639596433 392.41127843673445 211.10749099999998 C7H9NaO4P+ 1 93.17 10131 3929 M+K 728772 321.20921799999996 321.2099443158156 257.3065089419863 282.24605999999994 C13H14O7 1 729.78 10132 5557 M+K 257386 397.1825979999998 397.18443713563306 504.5492325012241 358.2194399999998 C14H6N4O8 1 638.97 10133 3704 M+K 597697 312.08781799999997 312.0893252954461 447.4239406993531 273.12465999999995 C14H9BrO 1 1016.79 10134 8043 M+K 194684 525.308548 525.3093894139888 627.0797076605579 486.34539 C23H23IN2O2 1 890.96 10136 2423 M+K 220326 258.159918 258.1606420347713 670.4181887210148 219.19675999999998 C10H9N3O3 1 632.07 10137 1837 M+K 488364 229.1255276 229.12582266560872 572.2307900452469 190.1623696 C9H9F3O 1 878.38 10145 6380 M+K 242167 435.3645980000001 435.3665655613336 920.320844360168 396.4014400000001 C22H16N6O2 1 686.67 10167 1784 M+K 241495 227.09140440000002 227.09141427069153 401.6589363529234 188.12824640000002 C8H6F2O3 1 724.02 10171 4682 M+K 20821 356.15085799999997 356.1520492686755 553.062410328668 317.18769999999995 C13H10Cl2O3S 1 1049.84 10175 1362 M+K 6409 203.164238 203.1642732224213 597.3025285560702 164.20108000000002 C10H12O2 1 750.98 10182 1359 M+K 699775 203.14277799999996 203.14328920645357 569.8724042066233 164.17961999999997 C5H8O4S 1 586.78 10206 1271 2M+H+K 736190 199.07209699999999 199.0714783627342 231.79404659522848 179.08687999999998 C8H12Cl2 0 1026.63 10208 5408 2M+H+K 212516 391.19165699999996 391.19014407066516 712.887441685744 371.20644 C13H11BrN2O4S 1 835.03 10218 1102 2M+H+K 251020 188.17499700000002 188.1756906304291 796.6631728876738 168.18978 C9H12O3 1 700.59 10222 3992 2M+H+K 699839 324.17993799999994 324.18053388553994 476.3296019435131 304.19472099999996 C13H9N2O5P 1 779.79 10224 1763 2M+H+K 304962 226.1072266 226.1075768974082 358.3924327100578 206.12200959999998 C7H5F3N2O2 1 607.99 10230 2133 2M+H+K 666238 244.17373700000002 244.17370646902043 434.29154023575444 224.18852 C6H8O7S 1 467.64 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 10239 4785 2M+H+K 207499 360.2937401999999 360.2924915669361 936.796839614914 340.3085231999999 C17H13FN4O3 1 789.28 10245 6776 2M+H+K 241916 454.2433457999999 454.24405526274404 660.7773085199746 434.2581287999999 C12H15F9N4O3 1 663.23 10249 216 2M+H+K 615555 133.076617 133.0763259388329 230.67215527774724 113.0914 C5H5O3- 1 581.44 10250 1942 2M+H+K 677125 234.1243866 234.12415754213242 389.71355694998306 214.1391696 C7H9F3O4 1 747.94 10252 2688 2M+H+K 641278 269.22290019999997 269.2222039404 338.7496209133787 249.2376832 C13H12FNO3 1 1000.54 10258 11580 2M+H+K 423317 884.7417570000001 884.7442061208559 299.10242163948124 864.7565400000001 C45H36O18 0 1166.55 10259 4444 2M+H+K 549855 344.3158569999999 344.31540077827043 875.2712181239808 324.3306399999999 C18H16N2O4 1 823.85 10263 3575 2M+H+K 134740 306.2645769999999 306.26361793070424 846.780640254251 286.27935999999994 C16H14O5 1 834.89 10272 5502 2M+H+K 733058 394.330277 394.32878546295217 815.3783038914057 374.34506000000005 C19H29Cl2NO2 1 901.37 10273 800 2M+H+K 361759 172.132537 172.13335948318172 670.1090300795757 152.14732 C8H8O3 1 671.77 10274 3368 2M+H+K 487758 299.1129169999999 299.1126202294874 349.3399124880547 279.12769999999995 C10H15BrO4 0 970.86 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 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 10294 5470 2M+H+K 518752 393.28223699999984 393.2822702153962 725.2692194916555 373.29701999999986 C16H13N4O7+ 1 624.86 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 10317 3080 2M+H+K 89615 286.238477 286.23742596838093 666.4295809424892 266.25326 C11H14N4O4 1 786.11 10327 1695 2M+H+K 33110 222.192977 222.1933365422959 590.6138451437909 202.20776 C8H14N2O4 1 132.28 10340 1129 2M+H+K 207056 190.12300020000004 190.12285177091024 475.5361830119715 170.13778320000003 C8H7FO3 0 682.6 10341 3554 2M+H+K 551016 306.099277 306.09987707404355 288.56667453640216 286.11406 C11H9Cl2N3O2 1 689.36 10346 1748 2M+H+K 245012 225.158697 225.15974394551102 388.5257267167932 205.17347999999998 C8H7N5O2 1 555.39 10347 1662 2M+H+K 317268 220.178637 220.1779682343332 599.4562909797244 200.19342 C11H8N2O2 1 653.08 10348 4070 2M+H+K 672901 327.25373700000006 327.2530348147546 733.6082556443973 307.2685200000001 C17H23Br 1 1200.78 10349 5954 2M+H+K 242167 416.38665700000007 416.3883223215009 1053.9867743166792 396.4014400000001 C22H16N6O2 1 686.67 10350 6963 2M+H+K 658435 463.3506969999998 463.3518937812797 983.6014043524514 443.3654799999998 C22H12Cl2O2S2 1 1215.07 10351 2642 2M+H+K 100077 267.231837 267.23165317836816 945.6583281430356 247.24661999999998 C13H13NO4 1 661.54 10352 2493 2M+H+K 50656 261.225717 261.22553315635423 596.2810640499068 241.2405 C11H15NO5 1 661.18 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 10360 2136 2M+H+K 709046 244.201797 244.2017645365134 208.14021250727347 224.21658 C9H12N4O3 1 558.88 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 10379 1102 2M+H+K 385619 188.17499700000002 188.1756906304291 796.6631728876738 168.18978 C9H12O3 1 673.31 10382 4360 2M+H+K 194532 340.3223169999999 340.32064140874127 928.8414512332312 320.3370999999999 C17H20O6 1 802.38 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 10395 1406 3M+H+K 372761 206.10344849999998 206.10242824070835 239.42154492012642 124.07882099999999 C2H9N2O2P 0 399.38 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 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 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 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 10464 8047 3M+H+K 343055 526.1432070000001 526.1408142710111 915.5111024065918 337.43866 C19H19N3OS 0 799.29 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 10477 6666 3M+H+K 551016 449.15630699999997 449.158180812717 185.37008873842728 286.11406 C11H9Cl2N3O2 1 689.36 10487 4037 3M+H+K 203918 326.20405139999997 326.20455538962 629.3514277857354 204.14588959999998 C9H7F3O2 1 761.98 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 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 10510 1793 3M+H+K 553390 227.17622699999995 227.17558015832793 339.1910095425828 138.12733999999998 C5H6N4O 1 328.21 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 10523 1409 M+H+K 66102 206.12645699999993 206.125739668671 515.5376511784162 372.28247999999985 C18H12O9 1 752.98 10524 784 M+H+K 137919 171.148547 171.14923590995 1011.4188505014293 302.32666 C19H14N2O2 1 742.1 10525 819 M+H+K 112967 173.16442700000002 173.1649889356373 240.53735577291164 306.35842 C19H18N2O2 1 776.94 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 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 10546 189 M+H+K 312022 131.06910179999997 131.0685673865866 403.137097438404 222.16776959999996 C7H9F3N4O 1 693.93 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 10567 3999 M+H+K 425594 324.32533700000005 324.3259495325047 945.5694319089121 608.6802400000001 C36H36N2O7 1 700.37 10571 2492 M+H+K 373993 261.220078 261.22135315396537 774.244360332739 482.469722 C28H20O2P2S 1 1018.47 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 10584 151 M+H+K 334069 127.09521699999999 127.09485248734397 250.58803763774245 214.21999999999997 C12H10N2O2 1 660.7 10586 443 M+H+K 280303 150.128557 150.12792484527768 293.74183421622485 260.28668 C18H12O2 1 947.41 10591 5345 2M+ACN+H 628005 388.3041252 388.3053278748097 737.273592559434 173.1351496 C8H6F3N 1 705.06 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 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 10626 10152 2M+ACN+H 8855 710.472148 710.4704659431694 835.5198158328609 334.219161 C11H15N2O8P 1 211.11 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 10664 7319 2M+ACN+H 563586 483.2347987999999 483.2360462160386 916.0866812445294 220.60048639999997 C9H7ClF2O2 1 972.46 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 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 10681 11912 2M+ACN+H 733571 935.1926259999999 935.1950844029099 998.6084357436262 446.57939999999996 C32H30O2 1 980.38 10689 2603 2M+ACN+H 248747 266.11462599999993 266.1147020317132 665.3175614225717 112.04039999999998 C4O4-- 1 528.66 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 10716 1547 2M+ACN+H 299339 214.126186 214.12685355400706 242.92867397578198 86.04617999999999 C3H2O3 1 537.37 10720 9634 2M+ACN+H 61084 648.3560659999999 648.3542066465154 558.8327150694241 303.16112 C12H8Cl2O3S 0 1016.77 10725 2754 M+ACN+H 543120 272.127686 272.12760828283007 527.9981802164198 230.09385999999998 C9H9Cl2N3 0 536.43 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 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 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 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 10762 3205 M+ACN+H 641278 291.27150919999997 291.2721931141256 723.9174513849432 249.2376832 C13H12FNO3 1 1000.54 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 10781 3231 M+ACN+H 129533 292.32898599999993 292.32919126992783 780.8736704094019 250.29515999999995 C16H14N2O 1 685.74 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 10810 2060 M+ACN+H 365136 241.070586 241.07087164308888 482.76630070113055 199.03676 C8H4Cl2N2 0 820.17 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 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 10867 1796 M+ACN+H 491653 227.21920599999999 227.2196947195458 816.7905094459483 185.18537999999998 C9H7N5 1 768.58 10869 5079 M+ACN+H 287500 374.29034599999994 374.28995983266634 608.6733706646537 332.25651999999997 C13H18BrNO2S 1 992.95 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 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 10905 77 M+ACN+2H 365136 121.03893099999999 121.0392884978517 244.52437207320926 199.03676 C8H4Cl2N2 0 820.17 10920 812 M+ACN+2H 61084 173.101111 173.10040548166913 340.49059508238076 303.16112 C12H8Cl2O3S 1 1016.77 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 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 10946 1593 2M+2Na-H 671896 217.07011999999997 217.07119727607926 239.97161310130133 86.04947999999999 C2H2N2O2 1 320.23 10952 9106 2M+2Na-H 582968 602.3532399999999 602.354233934275 666.579784251219 278.69104 C13H11ClN2O3 0 666.69 10954 11916 2M+2Na-H 659900 935.43076 935.4330640418135 491.36338891384185 445.22979999999995 C10H20BrCl3Sn 1 819.34 10966 7855 2M+2Na-H 53448 514.2847200000001 514.2832472087282 578.0478112225428 234.65678000000003 C8H7ClO4S 1 783.91 10970 7139 2M+2Na-H 677125 473.2494992 473.251241045611 833.1562851073816 214.1391696 C7H9F3O4 1 747.94 10975 5033 2M+2Na-H 505974 372.3476 372.34666132963866 862.8953380188632 163.68822 C8H18ClN 1 236.99 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 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 10991 7913 2M+2Na-H 508498 517.298802 517.2997525199593 633.4075320178653 236.163821 C10H9N2O3P 1 476.37 10995 8829 2M+2Na-H 584555 578.3715200000001 578.3709114213043 613.929653275916 266.70018000000005 C12H7ClO3S 1 835.32 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 11013 6925 2M+2Na-H 345070 461.3384799999999 461.3374978808212 912.551879761659 208.18365999999995 C16H9Li 1 1119.95 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 11069 9506 2M+2Na-H 592903 635.24164 635.244482956189 355.2553024789464 295.13524 C11H11BrN4O 1 714.54 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 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 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 11100 6013 2M+2Na-H 550258 419.19244 419.1912445962806 406.8210134864232 187.11064 C6H16Cl2N2 1 126.27 11111 9799 3M+2Na-H 651724 667.8483799999999 667.8505504356244 736.6195746375621 207.62573999999998 C4H6CaClNO4 1 10.7 11114 8043 3M+2Na-H 35515 525.308543 525.3093894139888 627.0797076605579 160.112461 C8H5N2P 1 726.48 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 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 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 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 11170 11050 3M+2Na-H 694100 813.6753830000002 813.6741344460872 1157.567079887181 256.2347410000001 C12H17O4P 1 715.42 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 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 11184 10915 3M+2Na-H 564336 798.1750591999999 798.1737417147899 999.9806427922832 251.06796639999996 C9H9BrF2O 1 995.7 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 11193 12115 3M+2Na-H 127097 968.1580399999998 968.1553674156796 969.9731846486743 307.7289599999999 C15H14ClNO4 1 870.27 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 11214 10737 3M+2Na-H 701828 777.05405 777.0513430670242 989.7207599353518 244.02763000000002 C5H9IO3 0 608.09 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 11235 2513 M+2Na-H 638414 262.2363999999999 262.2376945251248 1023.4639204793503 217.26523999999992 C16H11N 1 931.23 11242 1163 M+2Na-H 70259 192.10526 192.1054513830712 323.7206921846609 147.1341 C7H5N3O 1 550.13 11254 4882 M+2Na-H 391249 365.21851999999996 365.2168423187253 463.0464370248055 320.24735999999996 C15H14BrNS 1 1019.77 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 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 11291 2161 M+2Na-H 233370 245.22598000000002 245.22640231110657 836.3203526607084 200.25482000000002 C10H18NO3 1 700.98 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 11314 3536 M+2Na-H 274506 305.17348 305.17493039188196 629.8450460235622 260.20232 C12H8N2O5 1 462.94 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 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 11340 3381 M+2Na-H 357352 299.23686 299.2366848587552 628.1765321675205 254.26569999999998 C9H10N4O3S 1 615.29 11346 2423 M+2Na-H 434588 258.16179999999997 258.1606420347713 670.4181887210148 213.19064 C8H11N3O4 1 50.17 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 11364 4022 M+2Na-H 637237 325.24769999999995 325.2482814238154 469.0278225983089 280.27653999999995 C13H16N2O5 1 426.68 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 11388 2190 M+2Na-H 597508 247.13256 247.13309843447323 544.4993681173037 202.16140000000001 C8H10O6 1 634.28 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 11400 2214 M+2Na-H 657533 248.18682 248.1856149511282 517.2873219235848 203.21566 C7H9NO4S 1 829.84 11407 5496 M+2Na-H 143900 394.29592099999996 394.2951638475308 762.2091446528194 349.32476099999997 C15H20N5O3P 1 862.01 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 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 11436 228 M+2Na-H 349793 134.068934838 134.0684237117552 450.75299946994795 89.09777483799999 C4H8O2 1 483.46 11441 1660 M+2Na-H 139371 220.15512 220.15451251384206 426.41332609004553 175.18396 C10H9NO2 1 623.19 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 11448 11255 M+2Na-H 331442 840.9871200000005 840.9912032228895 496.3582206801403 796.0159600000005 C36H69N13O7 0 679.43 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 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 11500 3175 M+2Na-H 121211 290.22014319999994 290.2195867145069 608.0827370276083 245.24898319999994 C14H12FNO2 1 821.87 11502 4022 M+2Na-H 505962 325.24923999999993 325.2482814238154 469.0278225983089 280.27807999999993 C16H12N2O3 1 936.51 11507 5137 M+2Na-H 583496 377.34539999999987 377.34506461008505 940.1957216635375 332.3742399999999 C16H16N2O4S 1 601.85 11512 3804 2M+2Na 227007 316.137218 316.13846347327427 472.9286778187076 293.148 C14H10Cl2N2O 1 989.46 11518 2351 2M+2Na 595776 255.10544760000002 255.10547901732946 404.7661186958999 232.11622960000003 C8H3F3N2O3 1 776.4 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 11530 1027 2M+2Na 633143 184.14505799999998 184.1447291331107 189.3511596768827 161.15583999999998 C6H11NO4 1 78.47 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 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 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 11563 6438 2M+2Na 669000 439.2092780000001 439.208487272878 321.0619861008411 416.2200600000001 C19H39NOSn 1 596.9 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 11585 5569 2M+2Na 733058 397.33427800000004 397.3353087666703 832.710694284094 374.34506000000005 C19H29Cl2NO2 1 901.37 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 11620 3097 2M+2Na 435672 287.15017800000004 287.14896583985995 456.709984404163 264.16096000000005 C13H14BrN 1 784.59 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 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 11662 2013 2M+2Na 428165 238.1428044 238.1439351984876 481.4472615198604 215.1535864 C9H7F2NO3 1 703.58 11667 1662 2M+2Na 56287 220.177158 220.1779682343332 599.4562909797244 197.18794 C9H11NO4 1 519.44 11669 2569 2M+2Na 610152 265.045878 265.0468798050639 329.7743176161849 242.05666000000002 C7H9Cl2NO4 1 845.42 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 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 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 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 11715 4698 3M+2Na 184055 356.352218 356.35224822435407 864.256918624386 222.242 C14H10N2O 1 874.23 11723 8570 3M+2Na 370426 560.3411767999997 560.3420056331436 705.9541370938173 358.23463919999983 C17H8F6O2 1 913.72 11725 3383 3M+2Na 95378 299.277938 299.2773480579938 815.5132146132555 184.19248000000002 C8H12N2O3 1 633.74 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 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 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 11766 5374 3M+2Na 116846 389.3581879999999 389.35942532573813 1046.2911523172081 244.24597999999995 C13H12N2O3 1 658.58 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 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 11789 4828 3M+2Na 123248 362.340218 362.33927671905184 1016.7975670846678 226.23399999999998 C12H10N4O 1 614.07 11796 9272 3M+2Na 386012 616.3554380000002 616.3530849076675 792.3532828338157 395.57748000000004 C26H37NO2 0 857.85 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 11808 341 M+2Na 344309 143.033558 143.03407293684697 320.55068530126374 240.08868 C10H7Cl2N3 0 902.73 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 11824 113 M+2Na 233370 123.11662800000002 123.11691487917481 504.82982035285966 200.25482000000002 C10H18NO3 1 700.98 11832 490 M+2Na 274506 153.090378 153.09113782291791 457.85323406527135 260.20232 C12H8N2O5 1 462.94 11842 1771 M+2Na 110891 226.16339799999997 226.16297246530394 431.2271480477947 406.34835999999996 C20H14N4O6 1 797.94 11852 748 M+2Na 138094 169.13448799999995 169.133668071641 238.48449221510575 292.2905399999999 C13H16N4O4 1 814.1 11861 3411 M+2Na 132685 300.288258 300.2895943631047 801.9128994972145 554.59808 C24H22N6O6S2 1 857.34 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 11875 291 M+2Na 265761 139.086978 139.08697012116176 807.5985027883137 232.19551999999996 C10H8N4O3 0 588.52 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 11898 2284 M+H+2Na 291146 251.20081733333348 251.20058981473622 684.8593469591915 706.6167400000004 C28H20N8Na2O8S2 1 762.78 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 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 11939 2743 M+H+HCOOH 230852 271.22756599999997 271.2267976373879 832.934709859266 224.21481999999997 C13H8N2O2 1 596.14 11947 3251 M+H+HCOOH 584139 293.2464892 293.24726132486757 795.9880115824735 246.23374319999996 C14H11FO3 1 719.12 11950 3312 M+H+HCOOH 641278 296.2504292 296.2493708832683 768.8197354020028 249.2376832 C13H12FNO3 1 1000.54 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 11965 2536 M+H+HCOOH 728317 263.1860388 263.1857557610676 530.0697235222273 216.1732928 C8H12F4O2 1 774.47 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 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 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 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 12017 2509 M+H+HCOOH 566806 262.18457559999996 262.18370677809514 668.251715063055 215.17182959999997 C10H8F3NO 1 777.04 12020 3376 M+H+HCOOH 552590 299.16696519999994 299.16793556941633 437.21171413176575 252.15421919999994 C8H10F6O2 1 858.04 12033 3733 M+H+HCOOH 138184 313.135406 313.1348732132655 255.16885704372902 266.12266 C13H9Cl2NO 1 949.53 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 12072 3815 M+H+HCOOH 701363 316.2831291999999 316.2845101850979 705.8230779767275 269.2703831999999 C16H12FNO2 1 830.38 12075 4739 M+H+HCOOH 568077 358.36776599999996 358.36760861170234 1025.8634224029838 311.35501999999997 C17H13NO3S 1 763.99 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 12097 3608 2M+3H2O+2H 66531 308.12657 308.1256830726395 231.77887308745034 280.10433 C12H9I 1 1014.33 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 12109 7139 2M+3H2O+2H 659900 473.25203999999997 473.251241045611 833.1562851073816 445.22979999999995 C10H20BrCl3Sn 1 819.34 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 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 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 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 12167 6022 2M+3H2O+2H 331788 419.31478 419.3156546938412 1094.6884551755315 391.29254 C23H16Cl2N2 1 1009.34 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 12183 2492 2M+3H2O+2H 671356 261.2224 261.22135315396537 774.244360332739 233.20016 C11H9N2O4- 1 640.32 12193 4200 2M+3H2O+2H 135625 333.1842400000001 333.18348209577664 516.0326924195883 305.1620000000001 C14H10Cl2N4 1 983.14 12202 4094 2M+3H2O+2H 301793 328.28511999999995 328.28443057896936 881.85699875178625 300.26287999999994 C16H12O6 1 813.01 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 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 12224 4644 M+IsoProp+H 227007 354.21279000000004 354.21217320707126 526.5203965167684 293.148 C14H10Cl2N2O 1 989.46 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 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 12264 2774 M+IsoProp+H 527963 273.10812999999996 273.1080328467002 259.9072672212741 212.04333999999997 C8H6BrNO 1 704.6 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 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 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 12297 3058 M+IsoProp+H 211673 285.27807 285.278661348538 858.2273215597492 224.21328000000003 C10H12N2O4 1 632.79 12310 2290 M+IsoProp+H 698905 252.09785 252.0980156113361 207.12716356695327 191.03306 C3H4Cl2O3S 1 762.38 12317 3072 M+IsoProp+H 477073 286.14840999999996 286.14754678426226 372.54799795561905 225.08361999999997 C6H13BrN2O2 1 161.93 12319 3612 M+IsoProp+H 333692 308.15393 308.152411870919 366.170486834801 247.08914000000001 C8H11BrN2O2 1 731.86 12324 6021 M+IsoProp+H 257386 419.2842299999998 419.2822430756684 488.9327793647439 358.2194399999998 C14H6N4O8 1 638.97 12328 1796 M+IsoProp+H 9760 227.22005099999996 227.2196947195458 816.7905094459483 166.15526099999997 C6H15O3P 1 764.9 12334 3504 M+IsoProp+H 398529 304.15072000000004 304.15064236106906 286.17398428176307 243.08593000000002 C6H14INO 1 633.28 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 12360 5656 2M+Na+K 212516 402.18262799999997 402.18421482875516 384.6736010138015 371.20644 C13H11BrN2O4S 1 835.03 12373 1226 2M+Na+K 41343 196.1405112 196.14121649341885 583.7212310518823 165.16432319999998 C9H8FNO 1 613.77 12381 1935 2M+Na+K 102025 234.07601440000002 234.07611574521178 745.4154915192478 203.0998264 C7H3F2NO4 1 655.68 12387 780 2M+Na+K 429082 171.112808 171.11289825139912 261.68744044884386 140.13662 C7H8O3 1 675.1 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 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 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 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 12434 2619 2M+Na+K 367220 266.25516799999997 266.2556800146377 917.8071616591055 235.27898 C13H17NO3 1 682.08 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 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 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 12451 5055 2M+Na+K 262906 373.2939911999998 373.2944640024739 626.1930192132531 342.31780319999984 C19H15FO5 1 1113.14 12457 7263 2M+Na+K 233503 480.21890799999994 480.2198690928958 299.8695591282359 449.24271999999996 C16H18Cl2N4O7 0 660.21 12463 2475 2M+Na+K 513670 261.085989 261.0870647799037 343.97624394677104 230.109801 C5H11O8P-- 1 238.36 12470 3353 2M+Na+K 123190 298.237348 298.2372758892782 760.4617142954044 267.26116 C10H9N3O4S 1 579.36 12472 5897 2M+Na+K 81980 414.20212799999996 414.2021528388569 472.1821424772126 383.22594 C17H16Cl2N2O4 0 1043.06 12475 4846 2M+Na+K 260243 363.2793879999999 363.2800619411895 906.1202200501077 332.30319999999995 C14H20O9 1 824.12 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 12481 3598 2M+Na+K 635963 307.260728 307.2601887672122 860.7165222107184 276.28454 C15H16O5 1 792.26 12482 2464 2M+Na+K 10453 260.177068 260.1761856054205 703.9277169467753 229.20088 C6H7CaNO6 1 113.71 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 12488 3211 2M+Na+K 262187 292.1004512 292.10178946174506 374.835845038891 261.12426320000003 C6H4FN5O6 1 621.64 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 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 12509 2752 2M+Na+K 421819 272.111929 272.11275084933305 259.12605021496586 241.135741 C6H12NO7P 1 107.38 12518 3819 2M+Na+K 551016 317.090248 317.0900437519497 763.1805373031449 286.11406 C11H9Cl2N3O2 0 689.36 12532 2215 2M+Na+K 333675 248.198588 248.1984539554595 823.2507251673491 217.2224 C8H15N3O4 1 417.66 12541 2235 2M+Na+K 94000 249.184888 249.1850257587683 752.2334638983677 218.2087 C11H10N2O3 1 623.46 12553 3801 2M+Na+K 621759 316.120488 316.12109399138876 414.36367928338456 285.14430000000004 C9H10Cl2O4S 1 864.54 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 12563 2032 2M+Na+K 178040 239.16525120000003 239.16431149012712 575.475151669943 208.18906320000002 C10H9FN2O2 0 679.28 12566 2158 2M+Na+K 473646 245.18477439999998 245.1858890236954 342.45679852214056 214.20858639999997 C11H12F2O2 1 642.88 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 12572 2505 2M+Na+K 724048 262.148748 262.14745944865786 474.05801486493567 231.17256 C11H19Br 1 1261.79 12573 5411 2M+Na+K 403579 391.2100879999999 391.20883426746616 548.8394176120238 360.23389999999995 C19H15Cl2NO2 1 1127.04 12574 5156 3M+Na+K 595776 379.15053240000003 379.15130879430086 749.6855386204857 232.11622960000003 C8H3F3N2O3 0 776.4 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 12585 2506 3M+Na+K 379931 262.15639799999997 262.15531670035284 360.3200501502017 154.12014 C7H6O4 1 497.65 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 12598 9544 3M+Na+K 490653 638.4384780000001 638.4362183130128 1027.5545362510975 404.9748600000001 C26H29ClN2 1 892.58 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 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 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 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 12655 6002 3M+Na+K 10767 418.323078 418.3219122457655 729.5326509529618 258.23126 C9H14N4O5 1 62.62 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 12679 9333 3M+Na+K 324509 621.192048 621.1924219679797 262.9263937140006 393.47724000000005 C20H31N3O5 1 580.43 12685 4166 3M+Na+K 317268 331.26631799999996 331.267210336895 672.749406582 200.19342 C11H8N2O2 1 653.08 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 12699 4048 3M+Na+K 591209 327.016458 327.01627406902855 528.5045400015861 197.36018 C13H27N 1 887.37 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 12720 1625 M+Na+K 122516 218.1476679999999 218.14672872565288 520.7302369948391 374.3429599999998 C22H14O6 1 808.34 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 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 12743 2868 M+Na+K 226415 277.164393 277.1641967014699 416.4592554498901 492.3764100000001 C20H21IN4OS 1 851.43 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 12763 332 M+Na+K 540717 142.09806799999998 142.0977164701916 186.40301473544974 222.24375999999998 C10H14N4O2 1 190.55 12769 944 M+Na+K 661174 180.12121799999994 180.12098132143868 253.31523902593065 298.29005999999987 C17H14O5 1 698.49 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 12797 3814 M+Na+K 260589 316.2469480000001 316.2484075258055 632.4985992734071 570.5415200000002 C22H38N2O15 1 567.65 12817 10549 2M+ACN+Na 262804 756.6814879999996 756.6810184785925 212.6337120655054 346.3328599999998 C21H14O5 1 1195.14 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 12823 8331 2M+ACN+Na 344309 544.193128 544.1911676758612 266.999129712967 240.08868 C10H7Cl2N3 1 902.73 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 12839 8117 2M+ACN+Na 171679 530.4690479999999 530.4671060750406 1212.4944964467097 233.22663999999997 C10H11N5O2 1 675.64 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 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 12868 6334 2M+ACN+Na 636776 433.26148800000004 433.26049334077766 728.0245666648137 184.62286000000003 C8H9ClN2O 1 720.84 12870 9221 2M+ACN+Na 353986 613.1627679999999 613.1622882551239 968.2921643840095 274.57349999999997 C12H10Cl3N 1 1011.07 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 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 12898 5247 2M+ACN+Na 514410 384.18362999999994 384.1836412904047 582.9087283552238 160.08393099999998 C4H10NaO3P 1 469.14 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 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 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 12948 5868 2M+ACN+Na 265791 412.32496799999996 412.323988550925 1005.9202001602439 174.1546 C6H10N2O4 1 123.26 12950 6560 2M+ACN+Na 244553 444.406368 444.4048033801017 1012.1431264619087 190.1953 C11H10O3 1 783.2 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 12970 10545 2M+ACN+Na 106828 756.4304079999997 756.4324997737136 615.545388180295 346.20731999999987 C18H13Cl2NO2 1 1174.27 12980 2951 M+ACN+Na 723512 281.21168800000004 281.21120354549936 618.2043153695788 217.19592000000006 C9H13O6- 1 710.23 12986 6371 M+ACN+Na 212516 435.22220799999997 435.221539041719 555.392338305887 371.20644 C13H11BrN2O4S 1 835.03 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 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 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 13027 7884 M+ACN+Na 98026 516.1556079999999 516.1554280194258 399.67930245185164 452.13983999999994 C18H16Br2N2O2 0 888 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 13055 5876 M+ACN+Na 220366 413.253468 413.25357885828504 671.4476624907637 349.2377 C15H10Cl2N4S 1 1001.01 13058 5526 M+ACN+Na 446587 395.27800079999986 395.27934493360704 749.8803233112673 331.2622327999999 C15H13F4NO3 1 933.11 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 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 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 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 13114 2278 M+ACN+Na 345342 251.13773759999998 251.13880195565008 380.8011341253259 187.12196959999997 C7H4F3N3 0 736.81 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 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 13147 1721 M+ACN+Na 476089 224.10098399999998 224.09991606724236 533.6841385002463 160.085216 C5H5F5 1 575.76 13156 1342 M+ACN+Na 604828 202.17956800000002 202.18031170282669 249.87277094879488 138.1638 C8H10O2 1 670.45 13170 4897 M+ACN+Na 23307 366.192128 366.19099964341433 448.65053502001115 302.17636000000005 C12H9Cl2NO2S 1 987.92 13177 2378 M+ACN+Na 553532 256.169028 256.16973747343695 753.3933957961125 192.15326000000002 C3H4N4O4S 1 565.91 13182 5251 M+ACN+Na 533304 384.208349 384.2088091817226 733.9619518238437 320.192581 C10H13N2O8P-- 1 534.37 13188 7015 M+ACN+Na 446125 466.4103479999999 466.4090588137509 947.101064448525 402.3945799999999 C21H22O8 1 616.84 13201 8268 M+NH4+HCOOH 54868 539.3603729999998 539.3583367099857 789.7452822999453 475.3210799999997 C30H12Cl2O2 1 1019.62 13204 3554 M+NH4+HCOOH 350694 306.100703 306.09987707404355 288.56667453640216 242.06141 C4H11IN4 1 108.61 13206 3999 M+NH4+HCOOH 82307 324.3259729999999 324.3259495325047 945.5694319089121 260.28667999999993 C18H12O2 1 944.13 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 13233 3412 M+NH4+HCOOH 24715 300.3078729999999 300.30914547211364 912.4423657701773 236.26857999999993 C15H12N2O 1 674.1 13240 3403 M+NH4+HCOOH 508498 300.203114 300.20177297883697 316.9645024938119 236.163821 C10H9N2O3P 1 476.37 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 13264 2664 M+NH4+HCOOH 236958 268.264473 268.2632979752226 854.6279782018773 204.22518 C11H12N2O2 1 499.22 13276 4200 M+NH4+HCOOH 396563 333.184193 333.18348209577664 516.0326924195883 269.1449 C9H10Cl2O3S 1 988.6 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 13303 3381 M+NH4+HCOOH 421835 299.235453 299.2366848587552 628.1765321675205 235.19616000000002 C10H9N3O4 1 713.71 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 13322 2659 M+NH4+HCOOH 203918 268.18518259999996 268.18501905327685 162.0616179300814 204.14588959999998 C9H7F3O2 1 761.98 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 13351 269 M+3Na 137437 137.13264466666666 137.1326324611217 555.4873149832712 342.43028000000004 C24H22O2 1 1133.06 13356 2234 M+3Na 568198 249.1709913333334 249.17114280880665 558.4394207686408 678.5453200000002 C24H38O22 1 58.79 13364 1117 M+3Na 44003 189.1636313333333 189.16381861799405 608.0257615203632 498.52323999999993 C30H26O7 1 1061.35 13367 153 M+3Na 540413 127.12347133333331 127.12312231058905 204.85067412387232 312.40275999999994 C20H24O3 1 811.26 13371 116 M+3Na 61084 124.04292466666665 124.04280112446006 254.15412944226102 303.16112 C12H8Cl2O3S 0 1016.77 13380 3365 M+Na+HCOOH 543120 299.08854799999995 299.08901997183466 410.10252752425515 230.09385999999998 C9H9Cl2N3 1 536.43 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 13398 4234 M+Na+HCOOH 237263 334.301188 334.3025205583413 917.3850747162303 265.3065 C17H15NO2 1 873.61 13403 11404 M+Na+HCOOH 572270 859.6588100000004 859.6595782055117 366.45630767969647 790.6641220000004 C29H50N3O18P2- 0 795.09 13405 1790 M+Na+HCOOH 69705 227.15472799999998 227.15415779746118 1023.702233919094 158.16003999999998 C8H6N4 1 436.93 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 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 13442 3055 M+Na+HCOOH 675727 285.225728 285.224789245724 740.0747163347104 216.23104000000004 C10H16O5 1 655.68 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 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 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 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 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 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 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 13499 10232 M+Na+HCOOH 735719 719.6985080000002 719.7001590585046 1253.2693857448344 650.7038200000002 C27H38N8O9S 1 617.01 13511 4545 M+Na+HCOOH 637237 349.27122799999995 349.2698456119605 220.12343865210818 280.27653999999995 C13H16N2O5 1 426.68 13519 4359 M+Na+HCOOH 657321 340.285848 340.28503426561156 674.0693427442635 271.29116 C14H9NO3S 1 937.35 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 13532 5055 M+Na+HCOOH 51265 373.29592799999995 373.2944640024739 626.1930192132531 304.30123999999995 C14H16N4O4 1 641.96 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 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 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 13587 2447 M+Na+HCOOH 488364 259.15705760000003 259.15595710559626 715.7037755953663 190.1623696 C9H9F3O 1 878.38 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 13615 2428 M+Na+HCOOH 419225 258.20522800000003 258.20642869201356 638.2879643044993 189.21054 C11H11NO2 1 627.04 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 13635 2871 M+Na+HCOOH 178040 277.1837512 277.18401448194464 352.86182360530086 208.18906320000002 C10H9FN2O2 1 679.28 13638 7301 M+Na+HCOOH 661077 482.24330799999984 482.2414172991745 671.478048572715 413.24861999999985 C19H18Cl2O6 0 880.83 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 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 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 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 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 13685 10471 2M+2K-H 16488 747.8839600000002 747.8876772938331 757.4413557045225 335.4824600000001 C23H29NO 0 738.83 13706 9852 2M+2K-H 438841 674.3599199999999 674.3592021470349 746.4370204152308 298.72043999999994 C17H11ClO3 0 966.76 13714 11727 2M+2K-H 211718 910.2307199999998 910.227687348807 1059.2829683637506 416.6558399999999 C18H11BrClN3O2 0 1371.91 13715 6541 2M+2K-H 29662 443.33095999999995 443.33313856112676 895.9185233074128 183.20595999999998 C12H9NO 1 743.2 13716 3425 2M+2K-H 262474 301.137882 301.1390337655495 227.25364459943114 112.109421 C6H9P 1 672.71 13727 8873 2M+2K-H 671615 581.7898000000002 581.7905086662312 344.91715886375187 252.4353800000001 C17H32O 1 1147.28 13738 4338 2M+2K-H 493273 339.26796 339.2678140385759 707.0522127782419 131.17446 C9H9N 1 626 13739 4015 2M+2K-H 300034 325.20007999999996 325.2008410707261 571.7904091897705 124.14051999999998 C6H8N2O 1 39.12 13747 6757 2M+2K-H 478525 453.32108 453.320487483209 680.6662351559837 188.20102 C7H8O4S 1 635.55 13748 6758 2M+2K-H 478525 453.32108 453.32177732189314 738.7124902328219 188.20102 C7H8O4S 1 635.55 13758 6448 2M+2K-H 404304 439.3424 439.3419140296898 728.291493830356 181.21168 C8H7NO2S 1 736.75 13760 7184 2M+2K-H 486365 475.33635999999996 475.3387015287708 792.256241503042 199.20865999999998 C11H9N3O 1 650.64 13767 6117 2M+2K-H 474752 424.19899999999996 424.19715395731146 709.361743403851 173.63997999999998 C8H12ClNO 1 623.18 13768 6118 2M+2K-H 474752 424.19899999999996 424.1994983612324 524.8656512143702 173.63997999999998 C8H12ClNO 1 623.18 13775 9903 2M+2K-H 527940 681.0561399999999 681.0566695864388 491.6899067762587 302.06854999999996 C9H7IN2O2 1 741.41 13779 7217 2M+2K-H 649657 477.31247999999994 477.31402518320294 412.4048614205626 200.19671999999997 C10H8N4O 1 466.2 13780 7990 2M+2K-H 110600 521.3438928 521.3461864186329 783.6162511766163 222.2124264 C7H8F2N2O2S 1 689.49 13781 9424 2M+2K-H 57616 629.4116799999998 629.408891311554 884.8313045252582 276.2463199999999 C16H8N2O3 1 917.75 13790 10436 2M+2K-H 260243 741.5254399999999 741.5254568053574 1081.7490556631778 332.30319999999995 C14H20O9 1 824.12 13799 10179 2M+2K-H 222065 714.4222399999998 714.420646181965 653.6019651947681 318.7515999999999 C17H15ClO4 0 1044.23 13801 6070 2M+2K-H 141937 421.33547999999996 421.3348720997646 1082.1780696767328 172.20821999999998 C5H8N4OS 1 392.89 13802 8100 2M+2K-H 298033 529.4599599999999 529.4601598463362 1157.970747479603 226.27045999999999 C15H14O2 1 943.79 13809 8431 2M+2K-H 210359 551.5118399999999 551.5127163572047 1145.3937238754115 237.29639999999995 C16H15NO 1 825.22 13810 6446 2M+2K-H 512136 439.30272 439.30484475297993 729.216792494615 181.19184 C8H11N3O2 1 474.33 13811 8163 2M+2K-H 387391 533.4122 533.4128895630258 1031.0411559731933 228.24657999999997 C13H12N2O2 1 699.78 13812 10923 2M+2K-H 526453 799.1769855999997 799.1732559051007 1003.3423886361032 361.1289727999999 C15H9BrF4O 0 1158.24 13817 6194 2M+2K-H 204405 427.28696 427.28669398597697 589.4080090916102 175.18396 C10H9NO2 1 550.49 13820 8395 2M+2K-H 89990 549.4496 549.4485467826219 1091.2980588917937 236.26528000000002 C16H12O2 1 879.03 13822 6054 2M+2K-H 304907 421.20616 421.20588462639597 449.088311087669 172.14356 C8H4N4O 1 677.56 13838 6844 2M+2K-H 488364 457.2437792 457.24293664667437 551.5925018955736 190.1623696 C9H9F3O 1 878.38 13839 6845 2M+2K-H 488364 457.2437792 457.2451008312628 536.8309412696414 190.1623696 C9H9F3O 1 878.38 13840 11721 2M+2K-H 284357 909.9402000000002 909.9403273252174 571.8418749165278 416.5105800000001 C23H32N2O5 0 874.76 13841 6145 2M+2K-H 530777 425.2678064 425.26839769132226 764.1821356628285 174.1743832 C10H7FN2 1 701.83 13858 9458 2M+2K-H 288452 631.3455600000001 631.345834321856 744.9205058822128 277.21326000000005 C11H14Cl2N2S 1 975.26 13861 6993 2M+2K-H 346025 465.28704000000005 465.2851444846141 687.7812839449032 194.18400000000003 C10H10O4 1 658.69 13870 7949 2M+2K-H 365867 519.2647999999999 519.2630690437385 348.2635701793745 221.17288 C8H7N5O3 1 585.3 13880 11276 3M+2K-H 641851 842.7348 842.7317205577855 1252.753467065796 255.27192 C14H13N3O2 0 608.78 13882 10540 3M+2K-H 257568 755.9342999999999 755.9330152872076 538.3911440615929 226.33841999999996 C11H18N2OS 1 888.29 13887 7578 3M+2K-H 590394 497.20961999999986 497.21088064908935 559.9891025699908 140.09685999999996 C5H4N2O3 1 534.63 13893 11641 3M+2K-H 82895 896.85006 896.8490951675847 328.2051359121026 273.31034 C13H11N3O2S 1 686.69 13894 9296 3M+2K-H 511803 617.52048 617.5210509572772 814.839291371708 180.20048 C10H12O3 1 659.69 13897 9515 3M+2K-H 417333 635.54412 635.541068942495 916.2949968692853 186.20836 C8H14N2O3 1 112.83 13903 11411 3M+2K-H 289896 860.176923 860.1773099588593 980.8241534491423 261.085961 C7H15Cl2N2O2P 1 668.27 13906 11500 3M+2K-H 96084 872.19366 872.1945034724025 1025.3936300908333 265.09154 C13H6Cl2O2 1 1045.84 13909 8774 3M+2K-H 593418 573.7776 573.7771429978834 324.70206183207233 165.61952 C9H8ClN 1 685.23 13911 10068 3M+2K-H 236188 698.6613 698.6608434721236 986.4509863421465 207.24742 C7H13NO4S 1 281.22 13912 4253 3M+2K-H 435010 335.19666 335.19629605512546 310.0570197415068 86.09254 C3H6N2O 1 253.93 13917 6597 3M+2K-H 447643 446.2472399999999 446.2484797087347 930.1263773079822 123.10939999999998 C6H5NO2 1 530.67 13920 5132 3M+2K-H 607462 377.2665 377.2672894197799 782.9813765798153 100.11582 C5H8O2 1 454.18 13929 11894 3M+2K-H 341303 932.9372999999998 932.9387498949282 377.9301051832109 285.33941999999996 C13H23N3O4 1 341.24 13945 9183 3M+2K-H 301374 609.8096999999999 609.8102552395536 677.1191373957954 177.63021999999998 C10H8ClN 1 850.12 13946 11864 3M+2K-H 228314 926.9636999999999 926.9603714399356 416.6392369177443 283.34821999999997 C15H13N3OS 1 754.5 13953 11234 3M+2K-H 633507 838.0975799999999 838.0958034837282 1011.303130637603 253.72617999999994 C16H12ClN 1 1003.24 13954 9042 3M+2K-H 513488 596.3787 596.3782313250473 727.003868682127 173.15321999999998 C3H3N5O2S 1 601.37 13955 12094 3M+2K-H 126374 962.8070999999997 962.8093134359794 830.9873438080995 295.2960199999999 C15H13N5O2 1 553.15 13958 8522 3M+2K-H 514410 557.1708329999999 557.1730209772583 891.4712746409621 160.08393099999998 C4H10NaO3P 1 469.14 13969 11515 3M+2K-H 138184 875.28702 875.2859226272749 1126.210933433829 266.12266 C13H9Cl2NO 1 949.53 13972 10227 3M+2K-H 323495 719.22588 719.2262540427826 988.0495836642272 214.10228 C9H12BrN 0 670.35 13990 10194 3M+2K-H 590516 716.13252 716.1302881881941 911.3806950976098 213.07116 C9H9BrO 1 751.6 14002 12356 3M+2K-H 363033 1009.3064399999998 1009.3088919060772 1109.1863770021419 310.79579999999993 C15H15ClO3S 0 869.46 14025 2895 M+2K-H 386452 279.08528 279.0865150322212 400.0140302052015 202.16624000000002 C10H6N2O3 1 689.99 14027 3591 M+2K-H 185833 307.1533831999999 307.15368419944735 560.9979010464435 230.23434319999993 C14H11FO2 1 851.37 14033 4272 M+2K-H 182414 336.2260199999999 336.22764145961264 429.0253043888837 259.3069799999999 C13H17N5O 1 845.06 14035 1274 M+2K-H 320607 199.08344 199.08276349841117 288.484144028659 122.1644 C8H10O 0 704.85 14044 3261 M+2K-H 498574 294.14298 294.1416886683086 508.7708260104715 217.22394000000003 C11H11N3O2 1 553.92 14046 6669 M+2K-H 66102 449.20151999999985 449.20161692121775 442.99002455659445 372.28247999999985 C18H12O9 1 752.98 14052 2241 M+2K-H 539591 250.08712 250.0860394534916 578.3278565361345 173.16808 C10H7NO2 1 398.61 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 14063 3973 M+2K-H 367456 323.22219999999993 323.2213766971344 622.2171848398292 246.3031599999999 C18H14O 1 1091.49 14073 3852 M+2K-H 5602 318.1793231999999 318.1807472817781 366.89831798033623 241.26028319999992 C15H12FNO 0 809.27 14075 2416 M+2K-H 481085 258.10758000000004 258.1088474092594 196.90326936037764 181.18854000000005 C9H11NO3 1 648.76 14079 7165 M+2K-H 59810 475.1611599999999 475.1593523122324 467.08076729299665 398.2421199999999 C20H13Cl2N3O2 1 927.3 14087 1200 M+2K-H 4456 195.05014 195.05089709047328 239.54340993210423 118.13109999999999 C5H10O3 1 604.73 14099 3965 M+2K-H 529515 323.1593832 323.1600945158549 375.7109980936974 246.24034319999996 C12H11FN4O 1 618.05 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 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 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 14151 4343 M+2K-H 408600 340.08579999999995 340.0841562302618 441.56834795798903 263.16675999999995 C8H4Cl2N2S2 1 1000.6 14156 2870 M+2K-H 244016 277.17866 277.1797672411302 616.9587743733221 200.25961999999998 C11H8N2S 1 769.78 14158 6016 M+2K-H 443498 419.2170599999999 419.21658175991683 585.7785493488288 342.2980199999999 C15H18O9 1 761.92 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 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 14188 7228 M+2K-H 737260 478.1927599999999 478.1926322950563 470.0733206395567 401.2737199999999 C19H13BrO3S 1 1064.94 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 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 14209 2106 M+2K-H 33072 243.09624 243.0973437039309 203.2151725436301 166.1772 C8H10N2O2 1 592.39 14219 4642 M+2K-H 862911 354.19823999999994 354.1992072178333 633.3893158212138 277.27919999999995 C12H15N5O3 1 445.3 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 14232 2381 M+2K-H 75610 256.17782 256.17666988756554 247.83721613379387 179.25878000000003 C11H17NO 1 731.27 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 14254 4883 M+2K-H 607062 365.22263999999996 365.22184030727874 655.8534361513766 288.30359999999996 C10H20N6O4 1 45.26 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 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 14283 928 M+2K-H 348464 179.96727999999996 179.96741459686945 319.57785154761297 103.04823999999998 C5H6LiNO 1 707.99 14289 3924 M+2K-H 523830 321.1718496 321.17273901478967 468.138136912817 244.25280959999995 C13H15F3O 1 996.91 14294 5411 M+2K-H 270997 391.20849999999984 391.20883426746616 548.8394176120238 314.28945999999985 C17H14O6 1 836.14 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 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 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 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 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 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 14347 2065 M+2K-H 699775 241.09865999999997 241.09747516992275 565.9714329960498 164.17961999999997 C5H8O4S 1 586.78 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 14369 1888 2M+2K 210209 231.17433800000003 231.174522407555 744.6444533412334 192.21118000000004 C11H12O3 1 761.64 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 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 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 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 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 14438 182 2M+2K 348634 130.08676333399998 130.08650909599828 188.66290173421612 91.12360533399999 C4H5D3O2 1 548.66 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 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 14455 1342 2M+2K 170630 202.179478 202.18031170282669 249.87277094879488 163.21632 C10H13NO 1 470.09 14463 1774 2M+2K 246584 226.199338 226.1994112277378 1093.6790486617042 187.23618000000002 C9H17NO3 1 647.27 14466 2642 2M+2K 110789 267.231338 267.23165317836816 945.6583281430356 228.26818 C9H12N2O3S 1 454.09 14475 5883 2M+2K 733058 413.30821800000007 413.3088212489049 720.0974291245415 374.34506000000005 C19H29Cl2NO2 1 901.37 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 14497 5951 2M+2K 101477 416.35311799999994 416.3518413847595 542.307510892066 377.3899599999999 C22H19NO5 1 1059.45 14510 5489 2M+2K 111220 394.22347799999983 394.2226785456955 629.5574901496766 355.2603199999998 C12H13N5O8 1 410.62 14515 4232 2M+2K 391512 334.25103799999994 334.2495383564413 552.4520930858757 295.2878799999999 C14H17NO6 1 760.46 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 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 14563 6833 2M+2K 567069 457.15757800000006 457.1563527171446 557.9717381606777 418.19442000000004 C21H33NSn 1 675.54 14570 2238 2M+2K 614240 250.07064899999997 250.07082639596433 392.41127843673445 211.10749099999998 C7H9NaO4P+ 1 93.17 14579 5968 2M+2K 385846 417.224998 417.22418612646385 688.5345188185596 378.26184 C21H16BrNO 1 1031.83 14581 1581 2M+2K 46834 216.123238 216.12319205653898 394.99105443886646 177.16008 C8H7N3O2 1 466.94 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 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 14619 4089 2M+2K 40326 328.1847590000001 328.18630363034254 342.6583893349766 289.2216010000001 C11H16NO6P 1 808.82 14625 2757 2M+2K 563752 272.1583812 272.1571534679501 514.4507671593399 233.1952232 C12H8FNO3 1 622.63 14631 1727 2M+2K 491653 224.14853799999997 224.1478218125586 317.6367306204745 185.18537999999998 C9H7N5 1 768.58 14636 9950 3M+2K 549275 685.4194180000004 685.4206982669323 1185.2615705185574 430.97084000000024 C23H31ClN4O2 1 706.35 14637 7792 3M+2K 565033 510.2903079999999 510.2907641876083 657.0682982518812 314.21809999999994 C14H20BrNO2 1 846.59 14638 5911 3M+2K 705243 414.334048 414.3322691786134 603.9584904704917 250.24725999999998 C13H14O5 1 764.56 14639 5912 3M+2K 705243 414.334048 414.335668889693 488.2990415732936 250.24725999999998 C13H14O5 1 764.56 14640 8295 3M+2K 53790 541.283428 541.283037426434 644.2863243207889 334.88017999999994 C20H27ClO2 1 1177.3 14641 9815 3M+2K 640453 669.394123 669.395687307904 574.2299171425732 420.28731 C19H21IN2O 1 945.23 14642 3265 3M+2K 381567 294.18140950000003 294.18103905271687 352.7063808096216 170.145501 C8H11O2P 0 652.04 14651 7244 3M+2K 498328 479.19179800000006 479.19328944437035 469.92971559674015 293.48576 C16H39NO3 0 864.28 14656 10216 3M+2K 624031 717.8465979999999 717.8460768728097 318.0766885016967 452.58895999999993 C24H24N2O3S2 1 1123.85 14661 9392 3M+2K 297810 627.393478 627.3922728748397 729.5338494978171 392.28687999999994 C19H22BrNO3 1 558.99 14666 726 3M+2K 435010 168.101968 168.10216305307048 353.79715450253286 86.09254 C3H6N2O 1 253.93 14668 1585 3M+2K 4456 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C13H10N4O5 1 670.1 15532 4519 M+DMSO+H 636635 348.201987 348.2011979135591 532.9867579893655 269.18077999999997 C12H17BrN2 1 435.13 15540 8209 M+DMSO+H 81002 536.1345069999999 536.1354798145375 182.9451238337522 457.11329999999987 C17H15Br2NO4 1 934.15 15541 3859 M+DMSO+H 186576 318.275567 318.27649994566457 931.7867049784011 239.25436 C8H9N5O2S 1 601.71 15542 4062 M+DMSO+H 250069 327.1798966 327.1784489437774 522.4198077747949 248.1586896 C9H7F3N2O3 1 746.14 15543 4063 M+DMSO+H 250069 327.1798966 327.17996013053374 551.3265654999107 248.1586896 C9H7F3N2O3 1 746.14 15548 4823 M+DMSO+H 45495 362.255327 362.2537978647829 533.620120648014 283.23412 C12H13NO7 1 834.97 15556 3933 M+2ACN+H 143444 321.257516 321.2590045401033 782.4866390421078 238.19714 C11H21Cl2N 1 857.55 15557 3736 M+2ACN+H 543120 313.15423599999997 313.15272098467096 480.74429165255543 230.09385999999998 C9H9Cl2N3 1 536.43 15558 3231 M+2ACN+H 231741 292.32851600000004 292.32919126992783 780.8736704094019 209.26814000000002 C9H11N3OS 1 730.92 15564 2766 M+2ACN+H 213536 272.231156 272.22984522078815 812.4507673889622 189.17078 C9H7N3O2 1 637.5 15569 3963 M+2ACN+H 344309 323.14905600000003 323.14923785971473 577.7193794462632 240.08868 C10H7Cl2N3 1 902.73 15570 2386 M+2ACN+H 539591 256.228456 256.22722722643596 650.0444585890059 173.16808 C10H7NO2 1 398.61 15571 8606 M+2ACN+H 266235 563.5221959999998 563.5201570944912 1219.4753260487983 480.46181999999976 C23H28O11 1 675.2 15572 8607 M+2ACN+H 266235 563.5221959999998 563.5221437128314 1153.6125394377325 480.46181999999976 C23H28O11 1 675.2 15580 6495 M+2ACN+H 370426 441.29501519999985 441.2971677701504 1094.474098453479 358.23463919999983 C17H8F6O2 1 913.72 15595 6927 M+2ACN+H 258751 461.7961423999999 461.7939216353173 704.4109720967081 378.7357663999999 C13H9ClF2N2O5S 1 930.93 15600 7354 M+2ACN+H 511701 485.20168599999994 485.2020533494771 515.354208275751 402.1413099999999 C13H11IN2O5 0 772.33 15603 2858 M+2ACN+H 332317 277.07392600000003 277.07402152620614 393.19052424258285 194.01355 C5H7I 1 704.18 15606 4486 M+2ACN+H 46438 346.24623700000006 346.24535421252546 462.5112928224437 263.18586100000005 C12H10NO4P 1 711.44 15610 9154 M+2ACN+H 293868 607.1492759999999 607.1502634186645 904.9561523232469 524.0888999999999 C16H14I2O4 0 927.01 15616 4783 M+2ACN+H 20637 360.2745770000001 360.2746348628635 616.7349930056237 277.21420100000006 C9H16N3O5P 1 758.24 15621 5910 M+2ACN+H 446587 414.3226087999999 414.3209538918904 771.7874507081511 331.2622327999999 C15H13F4NO3 1 933.11 15626 3253 M+2ACN+H 734824 293.33473599999996 293.33497911630104 780.3483609788509 210.27435999999994 C14H14N2 1 679.05 15627 2975 M+2ACN+H 486365 282.26903599999997 282.2695560462039 845.9512272108442 199.20865999999998 C11H9N3O 1 650.64 15628 4344 M+2ACN+H 592975 340.10127600000004 340.10276459660935 314.39120754902126 257.0409 C8H5BrN2O3 1 645.68 15630 2059 M+2ACN+H 8912 241.056336 241.05642302726133 188.1434356513664 157.99596 C5H4BrN 1 446.96 15631 6375 M+2ACN+H 143106 435.24331600000005 435.24469244844664 1024.8155037287472 352.18294000000003 C8H6ClHgN 1 313.89 15634 5270 M+2ACN+H 527940 385.128926 385.1290709577713 191.16806349461604 302.06854999999996 C9H7IN2O2 1 741.41 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 15646 2959 M+2ACN+H 365136 282.097136 282.0970184546413 365.51161695466635 199.03676 C8H4Cl2N2 1 820.17 15651 3549 M+2ACN+H 540717 305.30413599999997 305.3030241053062 748.3902861388195 222.24375999999998 C10H14N4O2 1 190.55 15666 4711 M+2ACN+H 636794 357.17155599999995 357.17285466279657 218.5591098357388 274.11117999999993 C10H12BrNO3 1 821.41 15670 3205 M+2ACN+H 40998 291.27095600000007 291.2721931141256 723.9174513849432 208.21058000000005 C11H12O4 1 816.6 15671 4711 M+2ACN+H 169244 357.17309600000004 357.17285466279657 218.5591098357388 274.11272 C13H8BrNO 1 806.53 15672 4491 M+2ACN+H 864457 347.12400600000007 347.1239790127587 378.443841001813 264.06363000000005 C7H9IN2O 0 470.42 15673 4492 M+2ACN+H 864457 347.12400600000007 347.12490439528545 1036.4979248596196 264.06363000000005 C7H9IN2O 0 470.42 15674 6541 M+2ACN+H 497634 443.3349760000001 443.33313856112676 895.9185233074128 360.2746000000001 C22H20N2Ti-- 1 941.55 15677 3027 M+2ACN+H 414654 284.284916 284.2855246222639 908.4915904947827 201.22454 C11H11N3O 1 556.55 15680 4956 M+2ACN+H 551016 369.174436 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 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 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 15729 2178 M+IsoProp+Na+H 486604 246.242508 246.2426702025712 968.8905140611339 162.1885 C9H10N2O 1 612.94 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 15749 4187 M+IsoProp+Na+H 32873 332.33174799999995 332.33127136982904 807.7065074783045 248.27773999999997 C13H16N2O3 1 564.73 15758 7933 M+IsoProp+Na+H 241916 518.3121367999998 518.3132667536838 572.6176169676053 434.2581287999999 C12H15F9N4O3 1 663.23 15772 2365 M+IsoProp+Na+H 557396 255.25102799999996 255.25088841005314 868.1497468778131 171.19701999999998 C7H13N3O2 1 382.23 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 15801 3002 M+IsoProp+Na+H 486365 283.26266799999996 283.2628737808391 891.472695261584 199.20865999999998 C11H9N3O 1 650.64 15804 3932 M+IsoProp+Na+H 269929 321.24410900000004 321.24287537689577 670.7183970207242 237.19010100000003 C8H16NO5P 1 689.99 15808 2660 M+IsoProp+Na+H 702326 268.1903376 268.1904099716535 674.218970019759 184.1363296 C5H3F3O2S 1 833.91 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 15824 1927 M+IsoProp+Na+H 373981 233.13898899999998 233.13810084722422 496.69816065238524 149.084981 C4H8NO3P 1 588.75 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 15858 11863 M+IsoProp+Na+H 849809 926.8911479999999 926.8884138376462 331.3303089046995 842.83714 C45H46O16 0 1109.49 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 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 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 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 15890 4332 M+IsoProp+Na+H 537351 339.20820799999996 339.2074470142673 822.4541724990602 255.15419999999997 C11H15BrN2 1 811.63 15893 5053 M+IsoProp+Na+H 40326 373.2756090000001 373.2738536681839 696.8929751432281 289.2216010000001 C11H16NO6P 1 808.82 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 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 15928 1014 M+2ACN+2H 251412 183.63519079999998 183.63590347589894 535.6646157056596 283.20272959999994 C13H8F3NO3 1 791.68 15932 8267 M+2ACN+2H 295688 539.3577760000006 539.3566595379684 615.0804007283516 994.6479000000013 C54H105NdO6 1 935.16 15948 3052 M+2ACN+2H 194684 285.206521 285.20625707703635 1114.1408790130145 486.34539 C23H23IN2O2 1 890.96 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 15965 2683 M+K+HCOOH 571846 269.1760512000001 269.1748864225014 504.6789818056872 184.20742320000005 C10H13FO2 1 802.82 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 15988 2145 M+K+HCOOH 35515 245.081089 245.0807550629293 467.6599593824671 160.112461 C8H5N2P 0 726.48 15993 6592 M+K+HCOOH 169178 446.213389 446.21432402257176 290.0853821866383 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 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 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 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 16051 5992 M+K+HCOOH 97481 418.189848 418.1887636520784 513.9422739434106 333.22121999999996 C20H13Br 1 1098.8 16058 5038 M+K+HCOOH 196682 373.11188719999996 373.1124579981279 348.93948103338755 288.14325919999993 C10H6F6O3 1 844.76 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 16078 3123 M+K+HCOOH 388398 288.16928799999994 288.169005499712 588.3920252595419 203.20065999999997 C9H9N5O 1 616.14 16080 1832 M+K+HCOOH 31252 229.09724799999998 229.0970486631513 1238.247059897309 144.12861999999998 C5H8N2O3 0 608.9 16082 3426 M+K+HCOOH 728317 301.1419208 301.1408595825833 779.622917277751 216.1732928 C8H12F4O2 0 774.47 16097 2763 M+K+HCOOH 246584 272.204808 272.20478347364497 349.29012225060177 187.23618000000002 C9H17NO3 1 647.27 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 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 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 16132 4905 M+K+HCOOH 235758 366.32102799999996 366.3212342070809 856.7266501181687 281.3524 C8H15N3O4S2 1 499.69 16138 4957 M+K+HCOOH 274612 369.18904799999996 369.19062273131897 514.600689885867 284.22041999999993 C15H8O6 0 784.78 16143 5369 M+K+HCOOH 533128 389.2665679999999 389.2681875309729 737.9755864550655 304.2979399999999 C15H16N2O5 1 643.14 16148 6761 M+K+HCOOH 331779 453.396428 453.396909061703 915.2156992508295 368.42780000000005 C24H20N2O2 1 1002.09 16153 1530 M+K+HCOOH 617179 213.140908 213.14179220897245 1196.755476334467 128.17228 C6H12N2O 1 130.66 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 16160 4927 M+K+HCOOH 368936 367.32548799999995 367.3241806124694 858.5478785705199 282.35686 C17H14O2S 1 911.77 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 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 16191 2331 M+K+HCOOH 126699 254.103408 254.102328329503 366.1806117986054 169.13478 C7H7NO4 1 661.04 16196 4115 M+K+HCOOH 116846 329.21460799999994 329.2150962154558 444.7541593512129 244.24597999999995 C13H12N2O3 1 658.58 16202 5693 M+K+HCOOH 220490 403.31958799999984 403.31981328196247 740.7154023720442 318.3509599999999 C14H14N4O3S 1 613.76 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 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 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 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 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 16267 8085 M+K+HCOOH 658435 528.3341079999998 528.3339339513138 626.4870133328099 443.3654799999998 C22H12Cl2O2S2 1 1215.07 16275 1705 M+K+HCOOH 604828 223.132428 223.1331047447368 480.068414036454 138.1638 C8H10O2 0 670.45 16284 2467 M+K+HCOOH 364978 260.195648 260.1947705391233 609.207493212801 175.22702 C11H13NO 1 657.46 16288 5422 M+K+HCOOH 342738 391.25105759999997 391.2524443189145 588.6586702009488 306.2824296 C16H13F3N2O 1 869.92 16289 7994 M+K+HCOOH 52544 521.4720679999999 521.4739957796768 1096.0969561074571 436.50343999999996 C22H16N2O4S2 0 789.65 16292 2773 M+K+HCOOH 241495 273.09687440000005 273.0968287892627 261.56279356972135 188.12824640000002 C8H6F2O3 1 724.02 16296 4967 M+K+HCOOH 701265 369.278468 369.2794549480352 685.2353791289593 284.30983999999995 C16H16N2O3 1 571.46 16307 4139 M+K+HCOOH 121211 330.21761119999996 330.2179136497974 472.4525283066515 245.24898319999994 C14H12FNO2 1 821.87 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 334.23814 C15H21Cl2NO3 0 1042.81 16346 4318 M+H+CF3COOH 615332 338.268418 338.26821672167034 725.1323262762153 223.26827999999998 C12H17NO3 1 433.35 16347 3290 M+H+CF3COOH 511803 295.200618 295.20130716352674 497.3837126710191 180.20048 C10H12O3 1 659.69 16348 2537 M+H+CF3COOH 295719 263.200278 263.20058405351074 664.4684595021045 148.20014 C7H16O3 1 597.01 16350 6851 M+H+CF3COOH 276597 457.29661799999997 457.29673654091687 660.8019304419436 342.29648 C12H22O11 1 627.51 16354 2780 M+H+CF3COOH 69705 273.160178 273.16005172575 481.0014792636155 158.16003999999998 C8H6N4 1 436.93 16375 2850 M+H+CF3COOH 625257 276.200578 276.1995441167404 708.3052158893136 161.20044 C10H11NO 1 720.89 16377 6207 M+H+CF3COOH 380707 428.19195800000006 428.19244984851196 399.3054640858926 313.19182000000006 C16H13BrN2 1 1165.4 16378 6208 M+H+CF3COOH 380707 428.19195800000006 428.1936413294487 434.8516233653977 313.19182000000006 C16H13BrN2 0 1165.4 16382 3489 M+H+CF3COOH 699749 303.247518 303.24895886523734 889.8763498671526 188.24738 C7H12N2O2S 1 850.59 16383 4343 M+H+CF3COOH 536995 340.08529799999997 340.0841562302618 441.56834795798903 225.08515999999997 C9H9BrN2 1 620.84 16384 4523 M+H+CF3COOH 171679 348.22677799999997 348.22769333397366 452.3842822109314 233.22663999999997 C10H11N5O2 0 675.64 16388 4915 M+H+CF3COOH 622530 367.180458 367.1787347824864 486.1685487730533 252.18032 C10H8N2O6 0 44.76 16398 3159 M+H+CF3COOH 666765 289.199338 289.2004874254903 563.3691168421612 174.1992 C10H10N2O 0 616.16 16406 3648 M+H+CF3COOH 239668 309.20727800000003 309.20577001875677 598.0859885763889 194.20714 C9H6O3S 1 723.85 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 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 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 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 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 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 16488 5305 M+H+CF3COOH 657321 386.291298 386.29043355119137 693.7360243124091 271.29116 C14H9NO3S 1 937.35 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 16498 4231 M+H+CF3COOH 735715 334.236658 334.23690818184235 633.0788046302234 219.23651999999996 C12H13NO3 1 763.87 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 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 16523 2344 M+H+CF3COOH 313897 254.247278 254.24781484398915 849.1804377762122 139.24714 C7H11OSi 1 661.77 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 16549 3547 M+H+CF3COOH 33263 305.263398 305.26422743043355 920.8539267593213 190.26325999999997 C7H14N2O2S 1 402.89 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 16563 5350 M+H+CF3COOH 636794 389.1113179999999 389.1115824176122 811.341402913779 274.11117999999993 C10H12BrNO3 1 821.41 16564 3290 M+H+CF3COOH 704047 295.2007012 295.20130716352674 497.3837126710191 180.2005632 C5H9FN2O2S 1 561.09 16565 5132 M+H+CF3COOH 657771 377.26623799999993 377.2672894197799 782.9813765798153 262.26609999999994 C15H10N4O 1 836.64 16566 3260 M+H+CF3COOH 558536 294.13633799999997 294.1365113720499 419.6628355437963 179.13619999999997 C6H5N5O2 1 270.14 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 16576 2832 M+H+CF3COOH 690585 275.277178 275.2774749106858 837.2686972674027 160.27704 C8H16OS 1 799.66 16579 7177 M+H+CF3COOH 497634 475.27473800000007 475.27334051405103 657.0045195435998 360.2746000000001 C22H20N2Ti-- 0 941.55 16599 3155 M+H+CF3COOH 530777 289.1745212 289.1756500301031 375.2521932500783 174.1743832 C10H7FN2 1 701.83 16616 3841 M+H+CF3COOH 327377 317.252498 317.25149019153804 560.8011639658927 202.25235999999998 C12H14N2O 1 660.51 16627 3974 M+H+CF3COOH 487751 323.25377800000007 323.25522428542104 904.850301471711 208.25364000000005 C12H16O3 1 808.57 16634 4359 M+H+CF3COOH 254855 340.285838 340.28503426561156 674.0693427442635 225.28570000000002 C15H15NO 1 851.65 16639 2489 M+H+CF3COOH 475019 261.184398 261.1848870270874 585.0673809010664 146.18426 C7H14O3 1 561.04 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 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 16667 5010 M+H+CF3COOH 730005 371.3148211999999 371.315094381972 1095.6975825113987 256.31468319999993 C17H17FO 1 1141.56 16677 2112 M+3ACN+2H 169178 243.16948150000002 243.17037781604364 371.13189882475467 361.24476100000004 C11H15Cl2O3PS2 1 1198.83 16681 749 M+3ACN+2H 405096 169.142421 169.1416789510385 618.945609776108 213.19064000000003 C8H11N3O4 1 726.51 16683 3128 M+3ACN+2H 518021 288.19689600000004 288.19624703549965 692.307421761574 451.29959 C23H18INO 1 1114.68 16690 1449 M+3ACN+2H 82736 208.17681099999996 208.17774686052934 659.5296979070658 291.2594199999999 C13H13N3O5 1 507.83 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 16718 8394 M+3ACN+2H 288736 549.4115125000002 549.4139889367535 888.3247025385782 973.7288230000004 C32H46N7O20P3S 1 286.97 16725 125 M+3ACN+2H 16773 125.02379099999999 125.02366850459272 471.3474703574526 124.95338 C3H2Cl2O 0 729.52 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 16730 788 M+3ACN+2H 332359 172.043561 172.04300260538108 294.48131255834744 218.99292 C5H3BrN2O3 1 691.84 16749 7011 M+NH4+CF3COOH 98329 466.264825 466.2631094526091 520.2668393031485 334.23814 C15H21Cl2NO3 1 1042.81 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 16756 5164 M+NH4+CF3COOH 535672 379.2484882 379.24717487816883 627.7610487620184 247.2218032 C13H10FNO3 1 745.95 16768 5398 M+NH4+CF3COOH 97262 390.2992449999999 390.30084685977636 653.8542724197013 258.27255999999994 C14H14N2O3 1 913.13 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 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 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 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 16813 3974 M+NH4+CF3COOH 43794 323.25478499999997 323.25522428542104 904.850301471711 191.22809999999998 C5H5NO3S2 1 605.63 16825 5539 M+NH4+CF3COOH 410826 396.187645 396.18606783205445 385.1509524817049 264.16096 C13H14BrN 1 945.01 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 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 16857 7084 M+NH4+CF3COOH 709795 470.16709499999996 470.1649012701471 424.1737746294611 338.14041 C14H11IO2 0 1268.39 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 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 16871 6427 M+NH4+CF3COOH 99755 438.3420449999999 438.3414532486861 862.6410011768047 306.31535999999994 C18H14N2O3 1 890.99 16878 4085 M+NH4+CF3COOH 36371 328.14704500000005 328.14738798119436 579.6996801025091 196.12036000000003 C6H4N4O4 1 580.55 16884 3543 M+NH4+CF3COOH 94204 305.237825 305.23908640443943 565.897090739233 173.21114 C11H11NO 1 831.31 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 16893 8864 M+NH4+CF3COOH 233503 581.269405 581.2673590668053 267.031072526972 449.24271999999996 C16H18Cl2N4O7 1 660.21 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 16906 6553 M+NH4+CF3COOH 517331 444.260845 444.2590069829329 620.9450301623996 312.23416000000003 C16H19Cl2NO 1 632.34 16914 3173 M+NH4+CF3COOH 325677 290.178585 290.17891951110045 625.0228707146973 158.15189999999998 C7H10O4 1 678.9 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 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 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 16949 6904 M+NH4+CF3COOH 617525 460.1310649999999 460.13251252036025 361.6899776583298 328.10437999999994 C13H7Cl2NO5 0 888.05 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 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 16964 5164 M+NH4+CF3COOH 578120 379.2484882 379.24717487816883 627.7610487620184 247.22180319999998 C13H10FNO3 1 708.11 16966 5948 M+NH4+CF3COOH 230948 416.2985249999999 416.30054959061874 524.0130965771912 284.27183999999994 C10H16N6O4-- 0 683.23 16971 4604 M+NH4+CF3COOH 608852 352.247965 352.2479504952683 662.038993725132 220.22128000000004 C12H12O4 1 709.04 16981 1547 M+NH4+CF3COOH 26131 214.12722499999998 214.12685355400706 242.92867397578198 82.10054 C5H6O 1 596.71 16987 7532 M+NH4+CF3COOH 641807 495.21949459999985 495.22178908500314 610.7380589983305 363.19280959999986 C14H10BrF3OS 1 1295.91 16995 6230 M+NH4+CF3COOH 586092 429.1600849999999 429.1609605279423 319.2040505427393 297.13339999999994 C14H10Cl2O3 1 1041.24 17005 5210 M+NH4+CF3COOH 488862 382.24431459999994 382.2432200982364 606.609484487095 250.21762959999995 C10H13F3N2O2 1 862.56 17009 4486 M+NH4+CF3COOH 334069 346.24668499999996 346.24535421252546 462.5112928224437 214.21999999999997 C12H10N2O2 1 660.7 17012 4210 M+NH4+CF3COOH 522334 333.335805 333.3343089104253 803.1575353386429 201.30912 C10H23N3O 1 162.36 17014 4105 M+NH4+CF3COOH 83656 329.123345 329.12271025211373 476.2531769340637 197.09665999999999 C4H9BrN2S 0 108.8 17017 5313 M+NH4+CF3COOH 537351 387.180885 387.18138739401513 664.4695698487935 255.15419999999997 C11H15BrN2 1 811.63 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 17025 5866 M+NH4+CF3COOH 505962 412.3047649999999 412.3048856564629 719.1418826770237 280.27807999999993 C16H12N2O3 1 936.51 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 17037 3870 M+NH4+CF3COOH 550258 319.137325 319.136194961566 437.4826033323051 187.11064 C6H16Cl2N2 1 126.27 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 17057 5956 M+Na+CF3COOH 66531 417.08641 417.0846991592669 881.9238538181467 280.10433 C12H9I 0 1014.33 17064 6172 M+Na+CF3COOH 702285 426.30997999999994 426.31062852696186 715.6392291470244 289.32789999999994 C19H15NO2 1 1011.86 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 17084 4758 M+Na+CF3COOH 184055 359.22407999999996 359.22562477547297 491.7102068380292 222.242 C14H10N2O 1 874.23 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 17093 6485 M+Na+CF3COOH 699839 441.17680099999995 441.17528164251326 540.1986748374791 304.19472099999996 C13H9N2O5P 0 779.79 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 17124 2607 M+Na+CF3COOH 348039 266.13912 266.13839110984094 434.67177363234947 129.15704 C6H11NO2 1 605.88 17127 4603 M+Na+CF3COOH 281719 352.23319999999995 352.23285828495335 703.9757656475439 215.25111999999996 C12H13N3O 1 616.76 17132 4012 M+Na+CF3COOH 195921 325.1648 325.164053958318 603.695073719243 188.18272000000002 C10H8N2O2 1 493.61 17138 3736 M+Na+CF3COOH 567238 313.15409999999997 313.15272098467096 480.74429165255543 176.17202 C9H8N2O2 1 467.72 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 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 17155 5318 M+Na+CF3COOH 270225 387.23593999999997 387.23762180878146 534.9451794243923 250.25385999999997 C11H14N4O3 1 641.35 17173 1808 M+Na+CF3COOH 348634 228.105685334 228.10571502249658 312.1602824326442 91.12360533399999 C4H5D3O2 1 548.66 17178 6524 M+Na+CF3COOH 863538 443.1288400000001 443.1280900203815 248.85266643933204 306.1467600000001 C14H9Cl2N3O 1 793.77 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 17197 3402 M+Na+CF3COOH 170630 300.1984 300.199536925629 693.0017098982809 163.21632 C10H13NO 1 470.09 17202 6108 M+Na+CF3COOH 134740 423.26143999999994 423.25962836706066 705.753083862168 286.27935999999994 C16H14O5 1 834.89 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 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 17237 7748 M+Na+CF3COOH 183176 508.18852 508.18738974033295 952.4276230648634 371.20644 C13H11BrN2O4S 1 823.16 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 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 17267 7865 M+Na+CF3COOH 101477 514.37204 514.3740291820923 1046.0514155424073 377.3899599999999 C22H19NO5 1 1059.45 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 17289 7477 M+Na+CF3COOH 111220 492.2423999999998 492.2436068733603 534.8574787051614 355.2603199999998 C12H13N5O8 1 410.62 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 17304 5178 M+Na+CF3COOH 718480 380.2433 380.243090218165 619.5881859021617 243.26121999999995 C13H13N3O2 1 515.02 17307 7220 M+Na+CF3COOH 400884 477.3949399999999 477.3927481775738 1049.4029785460207 340.4128599999999 C21H24O4 1 970.11 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 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 17374 5920 M+Na+CF3COOH 168562 415.19638 415.1959972188788 508.0940523127056 278.2143 C13H10O7 1 693.04 17378 5624 M+Na+CF3COOH 532047 400.68337999999994 400.68506939640577 212.35840460908022 263.70129999999995 C8H10ClN3O3S 1 545.22 17384 3800 M+Na+CF3COOH 558536 316.11827999999997 316.11688476913884 377.45837874239805 179.13619999999997 C6H5N5O2 0 270.14 17386 3712 M+Na+CF3COOH 204405 312.16604 312.1651737368091 340.8024388936645 175.18396 C10H9NO2 1 550.49 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 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 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 17414 4059 M+Na+CF3COOH 488364 327.14444960000003 327.14365754441985 521.3399934414493 190.1623696 C9H9F3O 0 878.38 17426 2607 M+Na+CF3COOH 288290 266.13912 266.13839110984094 434.67177363234947 129.15704 C6H11NO2 1 645.51 17434 4804 M+Na+CF3COOH 414489 361.25826000000006 361.2591310433705 757.364010846508 224.27618000000004 C11H12O3S 1 742.3 17438 3997 M+Na+CF3COOH 308443 324.26132 324.2612947862113 666.2713635218743 187.27924000000002 C10H21NO2 1 644.73 17452 2576 M+Na+CF3COOH 383528 265.108 265.10725552024337 532.8710956679992 128.12592 C6H8O3 0 573.1 17474 4836 M+Na+CF3COOH 26536 363.16334 363.1620907477678 348.04543709112585 226.18126 C7H14O8 1 262.81 17479 6766 M+Na+CF3COOH 20821 454.16977999999995 454.1713179798192 376.74685505985474 317.18769999999995 C13H10Cl2O3S 0 1049.84 17485 3433 M+Na+CF3COOH 6409 301.18316000000004 301.18387284493406 425.3000076698384 164.20108000000002 C10H12O2 1 750.98 17490 3712 M+Na+CF3COOH 323429 312.16603999999995 312.1651737368091 340.8024388936645 175.18395999999998 C10H9NO2 1 672.89 17496 1696 M+Na+CF3COOH 299339 223.02826 223.0272308307657 289.43151549195056 86.04617999999999 C3H2O3 0 537.37 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 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 17521 6679 M+K+CF3COOH 353191 449.3394599999999 449.3372264145457 639.8557073997035 296.38343999999995 C18H16O2S 1 1200.14 17528 5610 M+K+CF3COOH 535672 400.17782320000003 400.17754820293317 568.8853278641675 247.2218032 C13H10FNO3 1 745.95 17533 4169 M+K+CF3COOH 736190 332.0429 332.0431221284749 266.19985971997204 179.08687999999998 C8H12Cl2 1 1026.63 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 17547 4707 M+K+CF3COOH 256975 357.13484000000005 357.13617316922154 459.59782130083386 204.17882000000003 C11H8O4 1 719.47 17559 7611 M+K+CF3COOH 262804 499.28887999999984 499.28982356754733 659.9042062807102 346.3328599999998 C21H14O5 1 1195.14 17561 3779 M+K+CF3COOH 486604 315.14452 315.14407280512495 474.4326733139866 162.1885 C9H10N2O 1 612.94 17567 7135 M+K+CF3COOH 391249 473.2033799999999 473.20150791174 527.7534688699313 320.24735999999996 C15H14BrNS 1 1019.77 17573 4796 M+K+CF3COOH 661921 361.1699 361.1685430203271 487.7188879324566 208.21388000000002 C10H12N2O3 1 342.95 17585 6378 M+K+CF3COOH 124770 435.31134 435.3092774157556 683.6377960409802 282.35532 C14H18O4S 1 825.61 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 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 17620 5290 M+K+CF3COOH 171679 386.18265999999994 386.18144417846827 603.9664111487801 233.22663999999997 C10H11N5O2 1 675.64 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 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 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 17643 8085 M+K+CF3COOH 231390 528.3318599999999 528.3339339513138 626.4870133328099 375.3758399999999 C18H21N3O6 1 723.81 17654 3158 M+K+CF3COOH 442407 289.19006 289.19099379384295 595.3692899884211 136.23404 C10H16 1 932.18 17657 4782 M+K+CF3COOH 383586 360.26795999999996 360.26714195739805 647.6974653073389 207.31193999999996 C13H21NO 1 810.96 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 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 17686 5071 M+K+CF3COOH 177716 374.20841999999993 374.20710221885565 614.4928449032723 221.25239999999997 C12H15NO3 1 658.33 17691 4575 M+K+CF3COOH 680755 351.1465674 351.1472732502989 366.59362249704793 198.19054739999996 C8H17F2OP 1 923.8 17697 6851 M+K+CF3COOH 130347 457.29855999999995 457.29673654091687 660.8019304419436 304.34254 C19H16N2O2 1 842.76 17700 6440 M+K+CF3COOH 134740 439.23537999999996 439.2368962422463 522.2997405902618 286.27935999999994 C16H14O5 1 834.89 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 17716 4712 M+K+CF3COOH 227228 357.1779 357.1764786237889 373.68192874339474 204.22188000000003 C12H12O3 1 744.82 17718 5761 M+K+CF3COOH 357352 407.22172 407.22054732446804 384.6171145823523 254.26569999999998 C9H10N4O3S 1 615.29 17720 2870 M+K+CF3COOH 170359 277.17936 277.1797672411302 616.9587743733221 124.22334 C9H16 1 906.74 17721 4266 M+K+CF3COOH 255736 336.1786832 336.17994175198055 504.3624773620597 183.22266320000003 C10H14FNO 1 649.05 17725 3486 M+K+CF3COOH 726416 303.21664 303.21636693446874 585.8365715949037 150.26062 C11H18 1 1025.56 17731 5902 M+K+CF3COOH 374995 414.2307599999999 414.232695742267 456.8077535391822 261.2747399999999 C17H11NO2 1 754.44 17732 3751 M+K+CF3COOH 367738 314.1134 314.1129605532796 535.1084578884646 161.15738000000002 C9H7NO2 1 679.35 17733 7802 M+K+CF3COOH 861953 511.21191999999985 511.21393460799544 508.1982455871706 358.2558999999999 C17H10O9 1 647.21 17736 5679 M+K+CF3COOH 185823 403.17188959999993 403.17169787761316 336.7142389407308 250.21586959999993 C14H9F3O 1 953.98 17746 3506 M+K+CF3COOH 546369 304.16494 304.1659641165478 405.38304518774794 151.20891999999998 C8H13N3 1 113.1 17747 4675 M+K+CF3COOH 395202 355.2466 355.2479395501388 637.0480634707636 202.29058 C11H22O3 1 1013.02 17748 5445 M+K+CF3COOH 535147 392.22853999999995 392.2273394974329 554.2851165213123 239.27251999999993 C14H13N3O 1 723.79 17752 6357 M+K+CF3COOH 235761 434.30827999999985 434.306752436965 1005.8669894256429 281.3522599999999 C17H19N3O 1 726.73 17756 5689 M+K+CF3COOH 129533 403.25118 403.25134072309305 596.8073556056497 250.29515999999995 C16H14N2O 1 685.74 17757 9398 M+K+CF3COOH 224475 628.1535400000001 628.1563485201816 301.38164289062047 475.1975200000001 C16H23Cl4N5O3 0 613.42 17760 6427 M+K+CF3COOH 254273 438.34172 438.3414532486861 862.6410011768047 285.38570000000004 C11H15N3O2S2 1 666.97 17761 4682 M+K+CF3COOH 857635 356.15337999999997 356.1520492686755 553.062410328668 203.19736 C10H9N3O2 1 438.9 17778 4223 M+K+CF3COOH 404304 334.16769999999997 334.16774380432673 569.1844569485835 181.21168 C8H7NO2S 1 736.75 17779 4757 M+K+CF3COOH 218562 359.22022 359.2215155115542 638.4705803702917 206.2642 C10H10N2OS 1 578.83 17780 4027 M+K+CF3COOH 513488 326.10924 326.108915161636 264.55108636877793 173.15321999999998 C3H3N5O2S 1 601.37 17781 4028 M+K+CF3COOH 513488 326.10924 326.11049213050376 392.265545211788 173.15321999999998 C3H3N5O2S 1 601.37 17798 5944 M+K+CF3COOH 633027 416.2633431999999 416.2640319520699 597.9819936748524 263.3073231999999 C15H18FNO2 1 810.3 17801 4542 M+K+CF3COOH 662567 349.22210000000007 349.22093949470127 550.1781868032319 196.26608000000004 C10H12O2S 1 754.93 17802 3668 M+K+CF3COOH 345192 310.16622 310.16475846859356 455.8389222559133 157.21020000000001 C8H15NO2 1 393.05 17804 5174 M+K+CF3COOH 101471 380.19308 380.19141817627 469.6867228421124 227.23706 C9H9NO4S 1 651.11 17805 4668 M+K+CF3COOH 199731 355.1802632 355.1789457553447 463.2664246735632 202.22424320000002 C13H11FO 1 974.46 17809 9081 M+K+CF3COOH 713463 600.339421 600.3378210429072 578.0178494984752 447.38340100000005 C15H26N7O7P 0 584.69 17822 4670 M+K+CF3COOH 342232 355.18508099999997 355.1859336740899 347.80033104242585 202.22906099999997 C2H5K2O4P 1 272.62 17823 5491 M+K+CF3COOH 422594 394.24442 394.24263504738724 555.9556211913045 241.28839999999997 C14H15N3O 1 402.32 17833 3668 M+K+CF3COOH 697545 310.16622 310.16475846859356 455.8389222559133 157.21020000000001 C8H15NO2 1 515.13 17835 3501 M+K+CF3COOH 562621 304.12188 304.1211559896968 389.068348237244 151.16585999999998 C7H9N3O 1 165.09 17837 7213 M+K+CF3COOH 855601 477.2833599999999 477.2846432989769 652.3208684086056 324.32733999999994 C19H16O5 1 764.12 17840 4685 M+K+CF3COOH 657533 356.17168000000004 356.17027244617105 393.76902466666405 203.21566 C7H9NO4S 1 829.84 17851 5445 M+K+CF3COOH 355037 392.22853999999995 392.2273394974329 554.2851165213123 239.27252 C14H13N3O 1 810.9 17855 4259 M+K+CF3COOH 16502 335.2585 335.2582721086219 655.1170414792645 182.30248 C12H22O 1 811.87 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 17869 3821 M+K+CF3COOH 89678 317.1125 317.11294009739197 347.46550645999713 164.15648000000002 C6H12O5 1 397.82 17875 6412 M+K+CF3COOH 684972 437.3272199999999 437.3259848230907 686.4530864206997 284.37119999999993 C14H20O4S 1 745.36 17887 5113 M+K+CF3COOH 546950 376.26736000000005 376.26912957093896 476.3746478667319 223.31134000000003 C13H21NO2 1 375.86 17890 7832 M+K+CF3COOH 497634 513.23062 513.2331540495138 636.0970730087336 360.2746000000001 C22H20N2Ti-- 0 941.55 17897 8932 M+K+CF3COOH 543468 586.39142 586.3916460975886 664.2973125402805 433.4354 C20H30Cl2N2O2S 0 845.81 17898 7376 M+K+CF3COOH 229746 486.2955200000001 486.29531600365453 681.4944137938658 333.3395000000001 C17H30Cl2N2 1 677.44 17911 4885 M+K+CF3COOH 710345 365.24472000000003 365.2431939080489 443.7096129353455 212.2887 C11H20N2O2 1 88.67 17912 4551 M+K+CF3COOH 56287 350.14396 350.14458990389204 404.67395167979294 197.18794 C9H11NO4 0 519.44 17921 5369 M+K+CF3COOH 167695 389.26766 389.2681875309729 737.9755864550655 236.31164 C16H16N2 1 617.39 17926 9040 M+K+CF3COOH 658435 596.3214999999998 596.321559013485 281.03637576282443 443.3654799999998 C22H12Cl2O2S2 1 1215.07 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 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 17972 5908 M+K+CF3COOH 276496 414.31687999999997 414.3150157136072 1032.559317546963 261.36086 C19H19N 1 1017.68 17980 4056 M+K+CF3COOH 81566 327.11898959999996 327.11812004865754 240.6870759294118 174.16296959999994 C9H9F3 1 953.7