Mercurial > repos > recetox > ramclustr_xcms
comparison test-data/fill_xcms_1.msp @ 3:405c8f8dc073 draft default tip
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/ramclustr commit 3479dea72f19e42832d30cda4283e56e81dd96d5"
| author | recetox |
|---|---|
| date | Mon, 07 Jun 2021 15:12:58 +0000 |
| parents | |
| children |
comparison
equal
deleted
inserted
replaced
| 2:e46e0a0c13ca | 3:405c8f8dc073 |
|---|---|
| 1 NAME:C001 | |
| 2 IONMODE:Negative | |
| 3 RETENTIONTIME:38.74 | |
| 4 RETENTIONINDEX: | |
| 5 SPECTRUMTYPE:Centroid | |
| 6 Num Peaks:57 | |
| 7 216.9205 32607700 | |
| 8 256.8215 31377637 | |
| 9 175.0641 26780143 | |
| 10 206.9034 26130980 | |
| 11 254.8252 23747536 | |
| 12 198.8647 21688594 | |
| 13 196.8658 21390430 | |
| 14 372.7383 19374863 | |
| 15 258.8237 15532799 | |
| 16 382.8218 12815572 | |
| 17 488.6825 12267966 | |
| 18 392.7685 10913351 | |
| 19 316.7777 10734168 | |
| 20 440.7322 10603010 | |
| 21 138.9121 10186226 | |
| 22 312.7841 10051801 | |
| 23 434.7287 9943329 | |
| 24 266.8652 9805546 | |
| 25 370.7418 9765463 | |
| 26 450.7016 8762673 | |
| 27 324.9549 8619910 | |
| 28 428.7834 8554675 | |
| 29 384.8177 8311500 | |
| 30 442.7401 8271752 | |
| 31 200.8848 7742528 | |
| 32 492.744 7662344 | |
| 33 494.8953 7188793 | |
| 34 546.6093 7177067 | |
| 35 498.8794 6811405 | |
| 36 500.8484 6520691 | |
| 37 322.8157 6317648 | |
| 38 350.9875 6150799 | |
| 39 550.6949 6104789 | |
| 40 426.7772 5431633 | |
| 41 566.5977 5171811 | |
| 42 510.763 4989757 | |
| 43 486.7743 4886062 | |
| 44 460.7076 4528973 | |
| 45 484.7242 4273989 | |
| 46 518.7415 4243468 | |
| 47 334.849 4178412 | |
| 48 413.2664 3965867 | |
| 49 436.8161 3705247 | |
| 50 502.7832 3567833 | |
| 51 342.8093 3285552 | |
| 52 366.8281 3253770 | |
| 53 306.9914 3169316 | |
| 54 268.8537 3090354 | |
| 55 800.4451 2792137 | |
| 56 186.1095 2675456 | |
| 57 234.0134 2550129 | |
| 58 462.7862 2123666 | |
| 59 349.9455 2050695 | |
| 60 612.6927 2005587 | |
| 61 676.6436 1982714 | |
| 62 351.941 1965882 | |
| 63 148.9337 1008656 | |
| 64 | |
| 65 NAME:C002 | |
| 66 IONMODE:Negative | |
| 67 RETENTIONTIME:520.25 | |
| 68 RETENTIONINDEX: | |
| 69 SPECTRUMTYPE:Centroid | |
| 70 Num Peaks:35 | |
| 71 525.375 1073323842 | |
| 72 310.1623 295359836 | |
| 73 526.3783 181668883 | |
| 74 1047.7378 150394804 | |
| 75 551.3321 111616808 | |
| 76 1048.7399 90978863 | |
| 77 289.6491 46498377 | |
| 78 312.0296 38757284 | |
| 79 1075.1968 33352763 | |
| 80 1049.7432 29946438 | |
| 81 552.3348 28340614 | |
| 82 813.5403 25060147 | |
| 83 527.3812 23642795 | |
| 84 309.1649 18045974 | |
| 85 301.1565 15185412 | |
| 86 311.1658 13124727 | |
| 87 330.6757 12666597 | |
| 88 624.296 11790213 | |
| 89 1076.2004 10417953 | |
| 90 578.2905 7578406 | |
| 91 562.3269 7538206 | |
| 92 1050.7453 6807767 | |
| 93 267.2688 6103973 | |
| 94 814.5336 5865975 | |
| 95 1069.7158 5074652 | |
| 96 619.3008 4742103 | |
| 97 1216.8041 4439324 | |
| 98 1206.3127 3738816 | |
| 99 1217.807 3565334 | |
| 100 1074.1979 3402288 | |
| 101 553.3314 2609936 | |
| 102 955.1171 2322927 | |
| 103 1101.6535 2023916 | |
| 104 131.1733 1971789 | |
| 105 279.0196 1946255 | |
| 106 | |
| 107 NAME:C003 | |
| 108 IONMODE:Negative | |
| 109 RETENTIONTIME:483.67 | |
| 110 RETENTIONINDEX: | |
| 111 SPECTRUMTYPE:Centroid | |
| 112 Num Peaks:26 | |
| 113 522.3565 4089569222 | |
| 114 523.354 1201714423 | |
| 115 288.6414 202172046 | |
| 116 1043.7028 144351468 | |
| 117 1044.7068 83271854 | |
| 118 549.3267 63300808 | |
| 119 279.6362 29849749 | |
| 120 1045.706 27998321 | |
| 121 1058.1594 20718345 | |
| 122 1071.1639 15461047 | |
| 123 378.2093 15309961 | |
| 124 796.9808 13576738 | |
| 125 809.9883 12596682 | |
| 126 265.2529 11366224 | |
| 127 280.6546 8848921 | |
| 128 576.2749 7386007 | |
| 129 1059.1626 6608764 | |
| 130 810.9916 6601055 | |
| 131 1046.7131 6505178 | |
| 132 797.9841 6368973 | |
| 133 1072.1671 5096642 | |
| 134 625.4543 4040374 | |
| 135 379.1966 2902366 | |
| 136 577.3074 2354251 | |
| 137 617.2778 2323470 | |
| 138 266.2564 1420444 | |
| 139 | |
| 140 NAME:C004 | |
| 141 IONMODE:Negative | |
| 142 RETENTIONTIME:473.48 | |
| 143 RETENTIONINDEX: | |
| 144 SPECTRUMTYPE:Centroid | |
| 145 Num Peaks:24 | |
| 146 496.34 12577588056 | |
| 147 497.3442 3337125302 | |
| 148 991.6726 1420557258 | |
| 149 992.6749 763118028 | |
| 150 498.3462 532285213 | |
| 151 993.6787 239161906 | |
| 152 296.147 190395687 | |
| 153 1017.6897 168186952 | |
| 154 482.3247 145772322 | |
| 155 1018.6656 120599518 | |
| 156 499.3493 68176083 | |
| 157 1019.6555 57647644 | |
| 158 994.6801 53549573 | |
| 159 770.964 49250157 | |
| 160 483.3283 36245876 | |
| 161 275.6336 28001849 | |
| 162 771.9675 22666873 | |
| 163 1020.6591 12469103 | |
| 164 783.9721 9839299 | |
| 165 949.6233 8009033 | |
| 166 124.1405 6517662 | |
| 167 950.6274 3674694 | |
| 168 784.9749 3622908 | |
| 169 170.2437 1237313 | |
| 170 | |
| 171 NAME:C005 | |
| 172 IONMODE:Negative | |
| 173 RETENTIONTIME:41.72 | |
| 174 RETENTIONINDEX: | |
| 175 SPECTRUMTYPE:Centroid | |
| 176 Num Peaks:20 | |
| 177 337.0623 88672453 | |
| 178 359.0443 48435582 | |
| 179 353.0361 37061354 | |
| 180 375.018 29159485 | |
| 181 218.1386 14009249 | |
| 182 417.0027 13822994 | |
| 183 381.0261 13522755 | |
| 184 438.9851 11307111 | |
| 185 396.9999 10317665 | |
| 186 454.9592 9820452 | |
| 187 432.9764 9779399 | |
| 188 338.0654 8770055 | |
| 189 360.0459 5025128 | |
| 190 418.9966 4386311 | |
| 191 512.8989 4072570 | |
| 192 456.9603 3774845 | |
| 193 470.9263 3632486 | |
| 194 572.871 3485486 | |
| 195 440.9796 3364168 | |
| 196 376.0216 2740193 | |
| 197 | |
| 198 NAME:C006 | |
| 199 IONMODE:Negative | |
| 200 RETENTIONTIME:452.08 | |
| 201 RETENTIONINDEX: | |
| 202 SPECTRUMTYPE:Centroid | |
| 203 Num Peaks:19 | |
| 204 494.3249 803829845 | |
| 205 495.3278 207959661 | |
| 206 542.3239 193323900 | |
| 207 543.3276 55501736 | |
| 208 1087.6715 34676828 | |
| 209 516.3076 24092471 | |
| 210 274.6257 21694276 | |
| 211 1088.6773 21466528 | |
| 212 1001.658 11852076 | |
| 213 1089.682 9948820 | |
| 214 290.6256 9704443 | |
| 215 1061.6562 9417442 | |
| 216 987.6411 7453650 | |
| 217 1037.6578 7076912 | |
| 218 1062.6592 5657208 | |
| 219 484.3311 5283943 | |
| 220 265.6196 4371245 | |
| 221 988.6455 3739523 | |
| 222 471.1945 2160605 | |
| 223 | |
| 224 NAME:C007 | |
| 225 IONMODE:Negative | |
| 226 RETENTIONTIME:568.2 | |
| 227 RETENTIONINDEX: | |
| 228 SPECTRUMTYPE:Centroid | |
| 229 Num Peaks:15 | |
| 230 358.2442 106872298 | |
| 231 234.1324 59050456 | |
| 232 188.0007 52041531 | |
| 233 239.2372 26344305 | |
| 234 477.2519 11827163 | |
| 235 585.9028 8902947 | |
| 236 357.238 7379522 | |
| 237 426.2308 5286033 | |
| 238 240.2407 4459744 | |
| 239 233.1437 3922399 | |
| 240 222.6244 3385929 | |
| 241 186.0063 3083451 | |
| 242 221.2257 2567396 | |
| 243 189.0039 2523814 | |
| 244 229.0269 867587 | |
| 245 | |
| 246 NAME:C008 | |
| 247 IONMODE:Negative | |
| 248 RETENTIONTIME:429.17 | |
| 249 RETENTIONINDEX: | |
| 250 SPECTRUMTYPE:Centroid | |
| 251 Num Peaks:15 | |
| 252 286.1443 678064374 | |
| 253 287.1479 122889402 | |
| 254 376.2598 104678013 | |
| 255 393.2867 29696724 | |
| 256 398.2416 23513763 | |
| 257 377.263 22500000 | |
| 258 308.126 22425844 | |
| 259 593.2789 15955209 | |
| 260 201.0585 12214676 | |
| 261 475.3648 10668083 | |
| 262 115.0544 5827739 | |
| 263 309.1297 4382098 | |
| 264 256.26 2558551 | |
| 265 236.1231 1734151 | |
| 266 444.2974 1144591 | |
| 267 | |
| 268 NAME:C009 | |
| 269 IONMODE:Negative | |
| 270 RETENTIONTIME:456.73 | |
| 271 RETENTIONINDEX: | |
| 272 SPECTRUMTYPE:Centroid | |
| 273 Num Peaks:14 | |
| 274 520.3407 5225209356 | |
| 275 521.3439 1495548391 | |
| 276 1039.675 296334239 | |
| 277 1040.6772 169704741 | |
| 278 287.6336 113569471 | |
| 279 278.6264 17428500 | |
| 280 997.6248 14800316 | |
| 281 1021.6269 12502966 | |
| 282 1067.6364 10969869 | |
| 283 806.9648 10540710 | |
| 284 335.1682 10461098 | |
| 285 539.2937 5768815 | |
| 286 807.9689 5556917 | |
| 287 130.1826 3436249 | |
| 288 | |
| 289 NAME:C010 | |
| 290 IONMODE:Negative | |
| 291 RETENTIONTIME:438.79 | |
| 292 RETENTIONINDEX: | |
| 293 SPECTRUMTYPE:Centroid | |
| 294 Num Peaks:13 | |
| 295 468.3091 298660480 | |
| 296 469.3122 74605200 | |
| 297 492.3091 14962230 | |
| 298 500.2783 12422814 | |
| 299 470.3144 10513291 | |
| 300 490.2906 10495863 | |
| 301 282.1334 7996578 | |
| 302 381.2584 6633225 | |
| 303 298.6263 5761949 | |
| 304 564.3067 4795194 | |
| 305 501.282 3263594 | |
| 306 183.0814 2981313 | |
| 307 491.2968 2431955 | |
| 308 | |
| 309 NAME:C011 | |
| 310 IONMODE:Negative | |
| 311 RETENTIONTIME:465.31 | |
| 312 RETENTIONINDEX: | |
| 313 SPECTRUMTYPE:Centroid | |
| 314 Num Peaks:13 | |
| 315 546.3555 383799553 | |
| 316 547.3446 131983322 | |
| 317 184.0736 110532874 | |
| 318 1041.6834 90837006 | |
| 319 1042.6858 34768516 | |
| 320 528.3083 30967171 | |
| 321 504.3095 29428619 | |
| 322 1066.6536 18333740 | |
| 323 125 16887384 | |
| 324 300.6409 12001615 | |
| 325 529.3094 8108676 | |
| 326 505.3163 6772098 | |
| 327 782.9657 2439709 | |
| 328 | |
| 329 NAME:C012 | |
| 330 IONMODE:Negative | |
| 331 RETENTIONTIME:39.22 | |
| 332 RETENTIONINDEX: | |
| 333 SPECTRUMTYPE:Centroid | |
| 334 Num Peaks:11 | |
| 335 96.9225 62967962 | |
| 336 272.7962 13679316 | |
| 337 212.8395 8994833 | |
| 338 404.6892 8814347 | |
| 339 288.779 8191056 | |
| 340 290.7977 4568865 | |
| 341 422.7095 4562755 | |
| 342 170.8763 4123908 | |
| 343 420.6603 3664599 | |
| 344 480.6509 3562470 | |
| 345 154.8822 2030207 | |
| 346 | |
| 347 NAME:C013 | |
| 348 IONMODE:Negative | |
| 349 RETENTIONTIME:39.48 | |
| 350 RETENTIONINDEX: | |
| 351 SPECTRUMTYPE:Centroid | |
| 352 Num Peaks:11 | |
| 353 203.0531 167631100 | |
| 354 249.0624 25609635 | |
| 355 227.0272 16535154 | |
| 356 264.9601 15156116 | |
| 357 169.0486 13872724 | |
| 358 389.1367 13765849 | |
| 359 226.0764 9468969 | |
| 360 506.6274 6372061 | |
| 361 250.0554 3024291 | |
| 362 122.0613 1727162 | |
| 363 726.5993 1311674 | |
| 364 | |
| 365 NAME:C014 | |
| 366 IONMODE:Negative | |
| 367 RETENTIONTIME:39.33 | |
| 368 RETENTIONINDEX: | |
| 369 SPECTRUMTYPE:Centroid | |
| 370 Num Peaks:11 | |
| 371 176.0633 15979877 | |
| 372 210.0505 15449502 | |
| 373 390.7218 11447541 | |
| 374 448.6698 9824962 | |
| 375 402.7508 6210443 | |
| 376 332.7687 6016647 | |
| 377 452.7387 5475678 | |
| 378 444.6803 4780956 | |
| 379 564.5853 3917503 | |
| 380 268.0083 1320856 | |
| 381 632.5996 1288164 | |
| 382 | |
| 383 NAME:C015 | |
| 384 IONMODE:Negative | |
| 385 RETENTIONTIME:458.34 | |
| 386 RETENTIONINDEX: | |
| 387 SPECTRUMTYPE:Centroid | |
| 388 Num Peaks:11 | |
| 389 544.3404 1225750896 | |
| 390 545.3439 374466023 | |
| 391 1063.6731 134466308 | |
| 392 570.3554 115918953 | |
| 393 1064.6791 79612422 | |
| 394 571.3534 37301377 | |
| 395 1065.6812 34277415 | |
| 396 559.3 18421012 | |
| 397 818.9649 6824176 | |
| 398 133.0392 2377532 | |
| 399 592.3319 1860147 | |
| 400 | |
| 401 NAME:C016 | |
| 402 IONMODE:Negative | |
| 403 RETENTIONTIME:38.05 | |
| 404 RETENTIONINDEX: | |
| 405 SPECTRUMTYPE:Centroid | |
| 406 Num Peaks:10 | |
| 407 225.0469 59892950 | |
| 408 152.0216 58787867 | |
| 409 200.0631 54989442 | |
| 410 125.9853 20256452 | |
| 411 154.0796 17471055 | |
| 412 117.0558 8912239 | |
| 413 123.0133 6506577 | |
| 414 214.0165 5828884 | |
| 415 128.0168 3493680 | |
| 416 262.1042 1191413 | |
| 417 | |
| 418 NAME:C017 | |
| 419 IONMODE:Negative | |
| 420 RETENTIONTIME:39.26 | |
| 421 RETENTIONINDEX: | |
| 422 SPECTRUMTYPE:Centroid | |
| 423 Num Peaks:10 | |
| 424 135.0046 68491054 | |
| 425 308.8763 7782902 | |
| 426 310.8765 7492963 | |
| 427 261.0198 6541108 | |
| 428 326.8343 5180455 | |
| 429 251.1353 4829854 | |
| 430 320.9624 4504376 | |
| 431 236.9895 3334317 | |
| 432 192.9904 3145024 | |
| 433 262.9367 1798075 | |
| 434 | |
| 435 NAME:C018 | |
| 436 IONMODE:Negative | |
| 437 RETENTIONTIME:454.48 | |
| 438 RETENTIONINDEX: | |
| 439 SPECTRUMTYPE:Centroid | |
| 440 Num Peaks:10 | |
| 441 478.2937 332073307 | |
| 442 502.294 203097896 | |
| 443 479.2975 82619606 | |
| 444 503.2971 56245739 | |
| 445 1079.1344 12647964 | |
| 446 396.3107 5070738 | |
| 447 1080.1364 4163189 | |
| 448 460.2793 3911971 | |
| 449 819.9685 3407741 | |
| 450 979.5825 2776558 | |
| 451 | |
| 452 NAME:C019 | |
| 453 IONMODE:Negative | |
| 454 RETENTIONTIME:42.78 | |
| 455 RETENTIONINDEX: | |
| 456 SPECTRUMTYPE:Centroid | |
| 457 Num Peaks:9 | |
| 458 114.9111 32990841 | |
| 459 389.9726 11145004 | |
| 460 164.9322 7431207 | |
| 461 405.9475 5844544 | |
| 462 447.9245 2426472 | |
| 463 216.0284 1605907 | |
| 464 365.9668 1446420 | |
| 465 505.8763 1329836 | |
| 466 507.8783 648316 | |
| 467 | |
| 468 NAME:C020 | |
| 469 IONMODE:Negative | |
| 470 RETENTIONTIME:54.99 | |
| 471 RETENTIONINDEX: | |
| 472 SPECTRUMTYPE:Centroid | |
| 473 Num Peaks:9 | |
| 474 293.0983 2422772404 | |
| 475 294.1014 257775459 | |
| 476 198.0937 131560403 | |
| 477 347.0176 47407058 | |
| 478 174.0125 36962385 | |
| 479 295.102 32422311 | |
| 480 638.0996 10689139 | |
| 481 348.021 4803964 | |
| 482 661.0894 2312323 | |
| 483 | |
| 484 NAME:C021 | |
| 485 IONMODE:Negative | |
| 486 RETENTIONTIME:38.53 | |
| 487 RETENTIONINDEX: | |
| 488 SPECTRUMTYPE:Centroid | |
| 489 Num Peaks:9 | |
| 490 156.0426 222394961 | |
| 491 219.0263 57128369 | |
| 492 158.0428 18805186 | |
| 493 214.8414 9188386 | |
| 494 243.0514 5726028 | |
| 495 221.0125 4427671 | |
| 496 476.8048 4253268 | |
| 497 300.917 1014846 | |
| 498 266.0228 865794 | |
| 499 | |
| 500 NAME:C022 | |
| 501 IONMODE:Negative | |
| 502 RETENTIONTIME:39.11 | |
| 503 RETENTIONINDEX: | |
| 504 SPECTRUMTYPE:Centroid | |
| 505 Num Peaks:9 | |
| 506 270.8003 10913935 | |
| 507 446.6714 9101385 | |
| 508 328.7861 5462630 | |
| 509 466.7313 4933554 | |
| 510 514.696 3743953 | |
| 511 582.6038 3668915 | |
| 512 640.5143 1982245 | |
| 513 830.3697 1650429 | |
| 514 816.3996 1639206 | |
| 515 | |
| 516 NAME:C023 | |
| 517 IONMODE:Negative | |
| 518 RETENTIONTIME:41.74 | |
| 519 RETENTIONINDEX: | |
| 520 SPECTRUMTYPE:Centroid | |
| 521 Num Peaks:9 | |
| 522 188.0708 86813172 | |
| 523 205.0972 60709701 | |
| 524 232.9318 25933446 | |
| 525 146.0645 18564145 | |
| 526 170.0751 7231551 | |
| 527 286.9372 7044982 | |
| 528 206.1002 7041628 | |
| 529 253.1035 6018088 | |
| 530 355.0172 4540271 | |
| 531 | |
| 532 NAME:C024 | |
| 533 IONMODE:Negative | |
| 534 RETENTIONTIME:556.73 | |
| 535 RETENTIONINDEX: | |
| 536 SPECTRUMTYPE:Centroid | |
| 537 Num Peaks:9 | |
| 538 269.2251 98997424 | |
| 539 270.2293 21011406 | |
| 540 95.0857 4595720 | |
| 541 286.2294 4043920 | |
| 542 255.2054 2246657 | |
| 543 271.2328 1949807 | |
| 544 213.1634 1358632 | |
| 545 201.1645 1071554 | |
| 546 199.1466 1069553 | |
| 547 | |
| 548 NAME:C025 | |
| 549 IONMODE:Negative | |
| 550 RETENTIONTIME:480.14 | |
| 551 RETENTIONINDEX: | |
| 552 SPECTRUMTYPE:Centroid | |
| 553 Num Peaks:9 | |
| 554 480.3242 225142434 | |
| 555 481.3283 57405909 | |
| 556 572.372 31453561 | |
| 557 573.3745 10605576 | |
| 558 975.643 9623856 | |
| 559 339.2894 7507144 | |
| 560 530.3239 6943908 | |
| 561 976.6459 4287929 | |
| 562 462.2982 1796039 | |
| 563 | |
| 564 NAME:C026 | |
| 565 IONMODE:Negative | |
| 566 RETENTIONTIME:426.54 | |
| 567 RETENTIONINDEX: | |
| 568 SPECTRUMTYPE:Centroid | |
| 569 Num Peaks:9 | |
| 570 209.1227 23179929 | |
| 571 368.2797 23024870 | |
| 572 344.2799 20088935 | |
| 573 251.08 18575424 | |
| 574 369.2898 5324942 | |
| 575 345.2809 4025576 | |
| 576 388.2683 3724460 | |
| 577 252.1154 2039708 | |
| 578 447.3136 1897988 | |
| 579 | |
| 580 NAME:C027 | |
| 581 IONMODE:Negative | |
| 582 RETENTIONTIME:416.01 | |
| 583 RETENTIONINDEX: | |
| 584 SPECTRUMTYPE:Centroid | |
| 585 Num Peaks:9 | |
| 586 512.3351 37021229 | |
| 587 342.2643 34920216 | |
| 588 513.3327 8866978 | |
| 589 366.2639 4336343 | |
| 590 386.2863 4324224 | |
| 591 255.1628 4097834 | |
| 592 121.0995 3144992 | |
| 593 198.1856 2059762 | |
| 594 389.2772 2055946 | |
| 595 | |
| 596 NAME:C028 | |
| 597 IONMODE:Negative | |
| 598 RETENTIONTIME:49 | |
| 599 RETENTIONINDEX: | |
| 600 SPECTRUMTYPE:Centroid | |
| 601 Num Peaks:8 | |
| 602 160.0625 82372331 | |
| 603 331.0539 60780528 | |
| 604 332.0574 6460288 | |
| 605 629.1524 6206440 | |
| 606 651.1352 4440552 | |
| 607 660.0826 3422585 | |
| 608 381.9922 2334231 | |
| 609 682.0634 1513098 | |
| 610 | |
| 611 NAME:C029 | |
| 612 IONMODE:Negative | |
| 613 RETENTIONTIME:38.86 | |
| 614 RETENTIONINDEX: | |
| 615 SPECTRUMTYPE:Centroid | |
| 616 Num Peaks:8 | |
| 617 162.1127 308309016 | |
| 618 184.0929 81708077 | |
| 619 163.1147 22045846 | |
| 620 185.0673 10137160 | |
| 621 125.0255 4719310 | |
| 622 496.9328 4556080 | |
| 623 668.7844 2318264 | |
| 624 322.132 1735238 | |
| 625 | |
| 626 NAME:C030 | |
| 627 IONMODE:Negative | |
| 628 RETENTIONTIME:40.08 | |
| 629 RETENTIONINDEX: | |
| 630 SPECTRUMTYPE:Centroid | |
| 631 Num Peaks:8 | |
| 632 285.099 18100021 | |
| 633 98.0603 11371093 | |
| 634 348.9972 7635486 | |
| 635 161.0222 5114176 | |
| 636 354.0305 3727355 | |
| 637 570.8778 3644920 | |
| 638 164.0967 2446073 | |
| 639 588.8371 1855891 | |
| 640 | |
| 641 NAME:C031 | |
| 642 IONMODE:Negative | |
| 643 RETENTIONTIME:494.99 | |
| 644 RETENTIONINDEX: | |
| 645 SPECTRUMTYPE:Centroid | |
| 646 Num Peaks:8 | |
| 647 524.3373 4406739555 | |
| 648 510.3567 277170353 | |
| 649 511.3593 74813283 | |
| 650 512.41 43155571 | |
| 651 532.3395 6128954 | |
| 652 543.8175 3281220 | |
| 653 533.3443 1713625 | |
| 654 253.2492 1397116 | |
| 655 | |
| 656 NAME:C032 | |
| 657 IONMODE:Negative | |
| 658 RETENTIONTIME:410.48 | |
| 659 RETENTIONINDEX: | |
| 660 SPECTRUMTYPE:Centroid | |
| 661 Num Peaks:8 | |
| 662 414.3008 67174004 | |
| 663 432.311 48052180 | |
| 664 450.3216 33099069 | |
| 665 415.3041 18837411 | |
| 666 433.3164 14051812 | |
| 667 451.325 9279876 | |
| 668 504.2415 3861767 | |
| 669 434.3163 2103190 | |
| 670 | |
| 671 NAME:C033 | |
| 672 IONMODE:Negative | |
| 673 RETENTIONTIME:40.16 | |
| 674 RETENTIONINDEX: | |
| 675 SPECTRUMTYPE:Centroid | |
| 676 Num Peaks:7 | |
| 677 120.0803 58687086 | |
| 678 86.0965 55329962 | |
| 679 180.0807 13815076 | |
| 680 103.0535 11371875 | |
| 681 202.0618 5186609 | |
| 682 121.0765 5168117 | |
| 683 87.0961 3259767 | |
| 684 | |
| 685 NAME:C034 | |
| 686 IONMODE:Negative | |
| 687 RETENTIONTIME:39.56 | |
| 688 RETENTIONINDEX: | |
| 689 SPECTRUMTYPE:Centroid | |
| 690 Num Peaks:7 | |
| 691 166.0846 178192881 | |
| 692 182.0634 130373801 | |
| 693 116.0619 120691918 | |
| 694 144.0965 108611017 | |
| 695 157.0492 41677273 | |
| 696 167.0832 14989742 | |
| 697 145.0982 8354818 | |
| 698 | |
| 699 NAME:C035 | |
| 700 IONMODE:Negative | |
| 701 RETENTIONTIME:37.63 | |
| 702 RETENTIONINDEX: | |
| 703 SPECTRUMTYPE:Centroid | |
| 704 Num Peaks:7 | |
| 705 112.9034 85545886 | |
| 706 222.8686 13769163 | |
| 707 238.8437 5325572 | |
| 708 280.8314 5214305 | |
| 709 240.84 3365303 | |
| 710 296.8089 2240176 | |
| 711 298.8014 2106450 | |
| 712 | |
| 713 NAME:C036 | |
| 714 IONMODE:Negative | |
| 715 RETENTIONTIME:37.64 | |
| 716 RETENTIONINDEX: | |
| 717 SPECTRUMTYPE:Centroid | |
| 718 Num Peaks:7 | |
| 719 408.755 8487354 | |
| 720 398.7404 8038976 | |
| 721 414.7157 5404259 | |
| 722 472.6761 3956681 | |
| 723 474.6969 3506445 | |
| 724 464.7339 2837872 | |
| 725 532.6307 2766988 | |
| 726 | |
| 727 NAME:C037 | |
| 728 IONMODE:Negative | |
| 729 RETENTIONTIME:38.66 | |
| 730 RETENTIONINDEX: | |
| 731 SPECTRUMTYPE:Centroid | |
| 732 Num Peaks:7 | |
| 733 191.0391 31256068 | |
| 734 318.9532 6922130 | |
| 735 508.7699 6827792 | |
| 736 364.9531 3274488 | |
| 737 124.0559 1972246 | |
| 738 168.0896 1964344 | |
| 739 244.0998 1402698 | |
| 740 | |
| 741 NAME:C038 | |
| 742 IONMODE:Negative | |
| 743 RETENTIONTIME:17.56 | |
| 744 RETENTIONINDEX: | |
| 745 SPECTRUMTYPE:Centroid | |
| 746 Num Peaks:7 | |
| 747 113.9639 884114874 | |
| 748 141.9589 178232538 | |
| 749 158.9616 128816272 | |
| 750 130.9667 51395622 | |
| 751 117.9597 13415776 | |
| 752 89.94 9040424 | |
| 753 299.9124 1880980 | |
| 754 | |
| 755 NAME:C039 | |
| 756 IONMODE:Negative | |
| 757 RETENTIONTIME:568.17 | |
| 758 RETENTIONINDEX: | |
| 759 SPECTRUMTYPE:Centroid | |
| 760 Num Peaks:7 | |
| 761 313.2743 49761422 | |
| 762 331.284 25330864 | |
| 763 353.2668 14412912 | |
| 764 314.2779 10250020 | |
| 765 332.288 5165351 | |
| 766 109.0936 3367194 | |
| 767 378.7574 2750830 | |
| 768 | |
| 769 NAME:C040 | |
| 770 IONMODE:Negative | |
| 771 RETENTIONTIME:387.74 | |
| 772 RETENTIONINDEX: | |
| 773 SPECTRUMTYPE:Centroid | |
| 774 Num Peaks:7 | |
| 775 181.0835 84943549 | |
| 776 223.1099 46655050 | |
| 777 448.3062 12015194 | |
| 778 211.1705 9133246 | |
| 779 224.1132 5667427 | |
| 780 163.086 4875483 | |
| 781 626.3529 4834637 | |
| 782 | |
| 783 NAME:C041 | |
| 784 IONMODE:Negative | |
| 785 RETENTIONTIME:453.17 | |
| 786 RETENTIONINDEX: | |
| 787 SPECTRUMTYPE:Centroid | |
| 788 Num Peaks:7 | |
| 789 568.34 320070712 | |
| 790 526.294 130284635 | |
| 791 569.3431 103890431 | |
| 792 527.2969 38181651 | |
| 793 590.322 5188496 | |
| 794 493.3513 4170416 | |
| 795 538.2924 3722053 | |
| 796 | |
| 797 NAME:C042 | |
| 798 IONMODE:Negative | |
| 799 RETENTIONTIME:494.9 | |
| 800 RETENTIONINDEX: | |
| 801 SPECTRUMTYPE:Centroid | |
| 802 Num Peaks:7 | |
| 803 548.3718 57710648 | |
| 804 506.3605 33858286 | |
| 805 464.314 19745728 | |
| 806 281.652 16902444 | |
| 807 507.3635 10018492 | |
| 808 421.2329 9340554 | |
| 809 465.3171 4874193 | |
| 810 | |
| 811 NAME:C043 | |
| 812 IONMODE:Negative | |
| 813 RETENTIONTIME:496.93 | |
| 814 RETENTIONINDEX: | |
| 815 SPECTRUMTYPE:Centroid | |
| 816 Num Peaks:7 | |
| 817 149.0237 1046269875 | |
| 818 121.0291 104312995 | |
| 819 303.1553 88839098 | |
| 820 327.2198 14111373 | |
| 821 91.0544 7737151 | |
| 822 583.4371 5272741 | |
| 823 371.2241 2045984 | |
| 824 | |
| 825 NAME:C044 | |
| 826 IONMODE:Negative | |
| 827 RETENTIONTIME:439.39 | |
| 828 RETENTIONINDEX: | |
| 829 SPECTRUMTYPE:Centroid | |
| 830 Num Peaks:7 | |
| 831 415.212 83379727 | |
| 832 437.1949 23384573 | |
| 833 416.2152 22144229 | |
| 834 514.3191 7670834 | |
| 835 453.1967 6996965 | |
| 836 438.1974 6181203 | |
| 837 432.2384 4602293 | |
| 838 | |
| 839 NAME:C045 | |
| 840 IONMODE:Negative | |
| 841 RETENTIONTIME:38.72 | |
| 842 RETENTIONINDEX: | |
| 843 SPECTRUMTYPE:Centroid | |
| 844 Num Peaks:6 | |
| 845 204.1232 104594587 | |
| 846 424.7473 5143002 | |
| 847 220.0361 3822478 | |
| 848 482.7147 3819577 | |
| 849 526.6926 3098115 | |
| 850 85.0374 922414 | |
| 851 | |
| 852 NAME:C046 | |
| 853 IONMODE:Negative | |
| 854 RETENTIONTIME:522.9 | |
| 855 RETENTIONINDEX: | |
| 856 SPECTRUMTYPE:Centroid | |
| 857 Num Peaks:6 | |
| 858 680.4293 23371624 | |
| 859 1204.2998 12180905 | |
| 860 681.433 10790523 | |
| 861 942.6132 7409370 | |
| 862 693.4366 6450701 | |
| 863 694.4422 2967375 | |
| 864 | |
| 865 NAME:C047 | |
| 866 IONMODE:Negative | |
| 867 RETENTIONTIME:568.96 | |
| 868 RETENTIONINDEX: | |
| 869 SPECTRUMTYPE:Centroid | |
| 870 Num Peaks:6 | |
| 871 523.885 65066801 | |
| 872 688.5201 14341797 | |
| 873 524.8874 7166738 | |
| 874 689.5235 6478555 | |
| 875 522.8873 4794972 | |
| 876 715.4799 3672190 | |
| 877 | |
| 878 NAME:C048 | |
| 879 IONMODE:Negative | |
| 880 RETENTIONTIME:570.42 | |
| 881 RETENTIONINDEX: | |
| 882 SPECTRUMTYPE:Centroid | |
| 883 Num Peaks:6 | |
| 884 596.8946 15091259 | |
| 885 597.9015 7000919 | |
| 886 762.0311 5271486 | |
| 887 609.9019 3635412 | |
| 888 598.909 2264745 | |
| 889 775.5467 2217744 | |
| 890 | |
| 891 NAME:C049 | |
| 892 IONMODE:Negative | |
| 893 RETENTIONTIME:548.99 | |
| 894 RETENTIONINDEX: | |
| 895 SPECTRUMTYPE:Centroid | |
| 896 Num Peaks:6 | |
| 897 637.3061 40025984 | |
| 898 638.3092 14899454 | |
| 899 654.3336 5820376 | |
| 900 659.2881 4514707 | |
| 901 639.3125 2997621 | |
| 902 655.3356 2193767 | |
| 903 | |
| 904 NAME:C050 | |
| 905 IONMODE:Negative | |
| 906 RETENTIONTIME:562.13 | |
| 907 RETENTIONINDEX: | |
| 908 SPECTRUMTYPE:Centroid | |
| 909 Num Peaks:6 | |
| 910 335.167 30837870 | |
| 911 376.1936 9206685 | |
| 912 336.1723 5451925 | |
| 913 281.2478 1427835 | |
| 914 665.4442 1293707 | |
| 915 339.1624 1173554 | |
| 916 | |
| 917 NAME:C051 | |
| 918 IONMODE:Negative | |
| 919 RETENTIONTIME:456.67 | |
| 920 RETENTIONINDEX: | |
| 921 SPECTRUMTYPE:Centroid | |
| 922 Num Peaks:6 | |
| 923 299.6334 26082055 | |
| 924 566.3211 20198673 | |
| 925 1090.6457 6272992 | |
| 926 567.3244 5871222 | |
| 927 291.6451 4435338 | |
| 928 1085.656 2558054 | |
| 929 | |
| 930 NAME:C052 | |
| 931 IONMODE:Negative | |
| 932 RETENTIONTIME:478.9 | |
| 933 RETENTIONINDEX: | |
| 934 SPECTRUMTYPE:Centroid | |
| 935 Num Peaks:6 | |
| 936 536.308 48824542 | |
| 937 353.0562 14621952 | |
| 938 537.3106 11482454 | |
| 939 256.0036 7683803 | |
| 940 297.1488 7327555 | |
| 941 127.2741 3285476 | |
| 942 | |
| 943 NAME:C053 | |
| 944 IONMODE:Negative | |
| 945 RETENTIONTIME:500.02 | |
| 946 RETENTIONINDEX: | |
| 947 SPECTRUMTYPE:Centroid | |
| 948 Num Peaks:6 | |
| 949 468.3899 33971049 | |
| 950 609.34 9554282 | |
| 951 604.3847 8198417 | |
| 952 605.413 7101524 | |
| 953 610.3361 3888670 | |
| 954 606.4209 1836398 | |
| 955 | |
| 956 NAME:C054 | |
| 957 IONMODE:Negative | |
| 958 RETENTIONTIME:491.71 | |
| 959 RETENTIONINDEX: | |
| 960 SPECTRUMTYPE:Centroid | |
| 961 Num Peaks:6 | |
| 962 399.2528 20584280 | |
| 963 395.2774 12115107 | |
| 964 313.1321 10599434 | |
| 965 163.0757 4155052 | |
| 966 335.1258 3732806 | |
| 967 365.1362 2964850 | |
| 968 | |
| 969 NAME:C055 | |
| 970 IONMODE:Negative | |
| 971 RETENTIONTIME:38.64 | |
| 972 RETENTIONINDEX: | |
| 973 SPECTRUMTYPE:Centroid | |
| 974 Num Peaks:5 | |
| 975 150.9966 13505497 | |
| 976 280.0989 11446380 | |
| 977 148.083 6444124 | |
| 978 258.0099 3216933 | |
| 979 278.8998 1588478 | |
| 980 | |
| 981 NAME:C056 | |
| 982 IONMODE:Negative | |
| 983 RETENTIONTIME:50.55 | |
| 984 RETENTIONINDEX: | |
| 985 SPECTRUMTYPE:Centroid | |
| 986 Num Peaks:5 | |
| 987 315.08 444337895 | |
| 988 316.0837 48279316 | |
| 989 247.0975 42192032 | |
| 990 235.0874 30725201 | |
| 991 143.0804 9023795 | |
| 992 | |
| 993 NAME:C057 | |
| 994 IONMODE:Negative | |
| 995 RETENTIONTIME:39.38 | |
| 996 RETENTIONINDEX: | |
| 997 SPECTRUMTYPE:Centroid | |
| 998 Num Peaks:5 | |
| 999 138.05 11589913 | |
| 1000 274.8004 7399559 | |
| 1001 386.7156 5744862 | |
| 1002 504.6304 5051649 | |
| 1003 584.623 2769986 | |
| 1004 | |
| 1005 NAME:C058 | |
| 1006 IONMODE:Negative | |
| 1007 RETENTIONTIME:37.83 | |
| 1008 RETENTIONINDEX: | |
| 1009 SPECTRUMTYPE:Centroid | |
| 1010 Num Peaks:5 | |
| 1011 136.0489 91083916 | |
| 1012 400.7495 6533309 | |
| 1013 410.7787 4155900 | |
| 1014 542.6812 3135865 | |
| 1015 528.7721 2343823 | |
| 1016 | |
| 1017 NAME:C059 | |
| 1018 IONMODE:Negative | |
| 1019 RETENTIONTIME:38.84 | |
| 1020 RETENTIONINDEX: | |
| 1021 SPECTRUMTYPE:Centroid | |
| 1022 Num Peaks:5 | |
| 1023 209.0731 140532642 | |
| 1024 490.8177 16128577 | |
| 1025 208.0701 7862862 | |
| 1026 192.0572 5685906 | |
| 1027 373.9241 1194415 | |
| 1028 | |
| 1029 NAME:C060 | |
| 1030 IONMODE:Negative | |
| 1031 RETENTIONTIME:521.59 | |
| 1032 RETENTIONINDEX: | |
| 1033 SPECTRUMTYPE:Centroid | |
| 1034 Num Peaks:5 | |
| 1035 668.4305 8028504 | |
| 1036 1192.2996 4150468 | |
| 1037 669.4357 4028528 | |
| 1038 930.1118 2367648 | |
| 1039 931.117 1841159 | |
| 1040 | |
| 1041 NAME:C061 | |
| 1042 IONMODE:Negative | |
| 1043 RETENTIONTIME:573.21 | |
| 1044 RETENTIONINDEX: | |
| 1045 SPECTRUMTYPE:Centroid | |
| 1046 Num Peaks:5 | |
| 1047 265.2529 9899139 | |
| 1048 371.2519 8233366 | |
| 1049 226.6269 3415692 | |
| 1050 266.2547 1785474 | |
| 1051 701.5302 1157410 | |
| 1052 | |
| 1053 NAME:C062 | |
| 1054 IONMODE:Negative | |
| 1055 RETENTIONTIME:404.94 | |
| 1056 RETENTIONINDEX: | |
| 1057 SPECTRUMTYPE:Centroid | |
| 1058 Num Peaks:5 | |
| 1059 353.2304 32739905 | |
| 1060 277.2131 11416355 | |
| 1061 296.2306 10660434 | |
| 1062 373.2739 9818194 | |
| 1063 272.2095 7792653 | |
| 1064 | |
| 1065 NAME:C063 | |
| 1066 IONMODE:Negative | |
| 1067 RETENTIONTIME:388.92 | |
| 1068 RETENTIONINDEX: | |
| 1069 SPECTRUMTYPE:Centroid | |
| 1070 Num Peaks:5 | |
| 1071 585.271 56140774 | |
| 1072 586.2757 19804349 | |
| 1073 601.2667 3868276 | |
| 1074 587.2789 3756282 | |
| 1075 292.6357 2008767 | |
| 1076 | |
| 1077 NAME:C064 | |
| 1078 IONMODE:Negative | |
| 1079 RETENTIONTIME:477.39 | |
| 1080 RETENTIONINDEX: | |
| 1081 SPECTRUMTYPE:Centroid | |
| 1082 Num Peaks:5 | |
| 1083 518.3223 174628688 | |
| 1084 519.326 47361590 | |
| 1085 438.2983 22072874 | |
| 1086 330.04 9899883 | |
| 1087 439.3032 4759535 | |
| 1088 | |
| 1089 NAME:C065 | |
| 1090 IONMODE:Negative | |
| 1091 RETENTIONTIME:484.01 | |
| 1092 RETENTIONINDEX: | |
| 1093 SPECTRUMTYPE:Centroid | |
| 1094 Num Peaks:5 | |
| 1095 240.0999 57718485 | |
| 1096 679.4209 6413969 | |
| 1097 1201.2745 3920305 | |
| 1098 1188.7713 3552262 | |
| 1099 1057.1551 3001955 | |
| 1100 | |
| 1101 NAME:C066 | |
| 1102 IONMODE:Negative | |
| 1103 RETENTIONTIME:477.61 | |
| 1104 RETENTIONINDEX: | |
| 1105 SPECTRUMTYPE:Centroid | |
| 1106 Num Peaks:5 | |
| 1107 508.3589 85631225 | |
| 1108 509.3621 29637747 | |
| 1109 1031.6491 17237588 | |
| 1110 1032.6524 9264007 | |
| 1111 769.9668 2034350 | |
| 1112 | |
| 1113 NAME:C067 | |
| 1114 IONMODE:Negative | |
| 1115 RETENTIONTIME:496.87 | |
| 1116 RETENTIONINDEX: | |
| 1117 SPECTRUMTYPE:Centroid | |
| 1118 Num Peaks:5 | |
| 1119 556.4425 28755077 | |
| 1120 600.4695 19352534 | |
| 1121 644.4952 11254491 | |
| 1122 557.445 8575104 | |
| 1123 601.4722 6487708 | |
| 1124 | |
| 1125 NAME:C068 | |
| 1126 IONMODE:Negative | |
| 1127 RETENTIONTIME:446.34 | |
| 1128 RETENTIONINDEX: | |
| 1129 SPECTRUMTYPE:Centroid | |
| 1130 Num Peaks:5 | |
| 1131 357.2789 114727535 | |
| 1132 312.1598 48528731 | |
| 1133 358.2846 32919178 | |
| 1134 313.238 12723416 | |
| 1135 359.2915 4641654 | |
| 1136 | |
| 1137 NAME:C069 | |
| 1138 IONMODE:Negative | |
| 1139 RETENTIONTIME:431.04 | |
| 1140 RETENTIONINDEX: | |
| 1141 SPECTRUMTYPE:Centroid | |
| 1142 Num Peaks:5 | |
| 1143 327.0085 42852661 | |
| 1144 329.0054 41634508 | |
| 1145 331.0028 13141699 | |
| 1146 252.9981 5112473 | |
| 1147 328.0117 4011270 | |
| 1148 | |
| 1149 NAME:C070 | |
| 1150 IONMODE:Negative | |
| 1151 RETENTIONTIME:436.01 | |
| 1152 RETENTIONINDEX: | |
| 1153 SPECTRUMTYPE:Centroid | |
| 1154 Num Peaks:5 | |
| 1155 603.2936 12822464 | |
| 1156 621.3034 7105990 | |
| 1157 597.3036 6280556 | |
| 1158 604.2967 4096514 | |
| 1159 622.3061 2351379 | |
| 1160 | |
| 1161 NAME:C071 | |
| 1162 IONMODE:Negative | |
| 1163 RETENTIONTIME:428.33 | |
| 1164 RETENTIONINDEX: | |
| 1165 SPECTRUMTYPE:Centroid | |
| 1166 Num Peaks:5 | |
| 1167 301.2166 18169090 | |
| 1168 325.2163 7069382 | |
| 1169 343.2266 2908718 | |
| 1170 172.1645 1320296 | |
| 1171 205.1767 805534 | |
| 1172 | |
| 1173 NAME:C072 | |
| 1174 IONMODE:Negative | |
| 1175 RETENTIONTIME:404.46 | |
| 1176 RETENTIONINDEX: | |
| 1177 SPECTRUMTYPE:Centroid | |
| 1178 Num Peaks:5 | |
| 1179 352.2253 64611107 | |
| 1180 300.2174 12961057 | |
| 1181 341.2118 3403529 | |
| 1182 440.2781 3231404 | |
| 1183 318.0913 2035771 | |
| 1184 | |
| 1185 NAME:C073 | |
| 1186 IONMODE:Negative | |
| 1187 RETENTIONTIME:39.45 | |
| 1188 RETENTIONINDEX: | |
| 1189 SPECTRUMTYPE:Centroid | |
| 1190 Num Peaks:4 | |
| 1191 132.0911 149213134 | |
| 1192 105.1079 25643451 | |
| 1193 133.093 9606398 | |
| 1194 106.0882 1008121 | |
| 1195 | |
| 1196 NAME:C074 | |
| 1197 IONMODE:Negative | |
| 1198 RETENTIONTIME:48.99 | |
| 1199 RETENTIONINDEX: | |
| 1200 SPECTRUMTYPE:Centroid | |
| 1201 Num Peaks:4 | |
| 1202 367.9888 19794460 | |
| 1203 368.9907 10577331 | |
| 1204 324.0009 6981928 | |
| 1205 383.9615 6271699 | |
| 1206 | |
| 1207 NAME:C075 | |
| 1208 IONMODE:Negative | |
| 1209 RETENTIONTIME:38.61 | |
| 1210 RETENTIONINDEX: | |
| 1211 SPECTRUMTYPE:Centroid | |
| 1212 Num Peaks:4 | |
| 1213 231.0565 7541254 | |
| 1214 395.1564 6383328 | |
| 1215 377.132 4900119 | |
| 1216 107.0073 3031654 | |
| 1217 | |
| 1218 NAME:C076 | |
| 1219 IONMODE:Negative | |
| 1220 RETENTIONTIME:55.64 | |
| 1221 RETENTIONINDEX: | |
| 1222 SPECTRUMTYPE:Centroid | |
| 1223 Num Peaks:4 | |
| 1224 172.9567 33953504 | |
| 1225 133.927 12290571 | |
| 1226 92.9005 5352672 | |
| 1227 108.914 2618921 | |
| 1228 | |
| 1229 NAME:C077 | |
| 1230 IONMODE:Negative | |
| 1231 RETENTIONTIME:568.29 | |
| 1232 RETENTIONINDEX: | |
| 1233 SPECTRUMTYPE:Centroid | |
| 1234 Num Peaks:4 | |
| 1235 583.8869 36863018 | |
| 1236 749.0231 12396899 | |
| 1237 584.891 12016606 | |
| 1238 750.0278 7401510 | |
| 1239 | |
| 1240 NAME:C078 | |
| 1241 IONMODE:Negative | |
| 1242 RETENTIONTIME:398.62 | |
| 1243 RETENTIONINDEX: | |
| 1244 SPECTRUMTYPE:Centroid | |
| 1245 Num Peaks:4 | |
| 1246 316.248 46844363 | |
| 1247 340.2484 7340552 | |
| 1248 360.2746 2404874 | |
| 1249 384.2747 2390732 | |
| 1250 | |
| 1251 NAME:C079 | |
| 1252 IONMODE:Negative | |
| 1253 RETENTIONTIME:385.1 | |
| 1254 RETENTIONINDEX: | |
| 1255 SPECTRUMTYPE:Centroid | |
| 1256 Num Peaks:4 | |
| 1257 314.2328 55972011 | |
| 1258 315.2342 9937448 | |
| 1259 261.1103 8569525 | |
| 1260 338.2334 3234158 | |
| 1261 | |
| 1262 NAME:C080 | |
| 1263 IONMODE:Negative | |
| 1264 RETENTIONTIME:410.4 | |
| 1265 RETENTIONINDEX: | |
| 1266 SPECTRUMTYPE:Centroid | |
| 1267 Num Peaks:4 | |
| 1268 225.1924 28100176 | |
| 1269 226.1948 3835768 | |
| 1270 647.2353 2107218 | |
| 1271 649.2515 1886834 | |
| 1272 | |
| 1273 NAME:C081 | |
| 1274 IONMODE:Negative | |
| 1275 RETENTIONTIME:367.91 | |
| 1276 RETENTIONINDEX: | |
| 1277 SPECTRUMTYPE:Centroid | |
| 1278 Num Peaks:4 | |
| 1279 271.2061 11931733 | |
| 1280 505.1464 7616256 | |
| 1281 253.1952 3853260 | |
| 1282 283.2425 2898656 | |
| 1283 | |
| 1284 NAME:C082 | |
| 1285 IONMODE:Negative | |
| 1286 RETENTIONTIME:379.79 | |
| 1287 RETENTIONINDEX: | |
| 1288 SPECTRUMTYPE:Centroid | |
| 1289 Num Peaks:4 | |
| 1290 466.3171 7929750 | |
| 1291 430.2953 5331329 | |
| 1292 412.2849 4835668 | |
| 1293 467.3198 2167391 | |
| 1294 | |
| 1295 NAME:C083 | |
| 1296 IONMODE:Negative | |
| 1297 RETENTIONTIME:469.39 | |
| 1298 RETENTIONINDEX: | |
| 1299 SPECTRUMTYPE:Centroid | |
| 1300 Num Peaks:4 | |
| 1301 1015.672 36276276 | |
| 1302 1016.676 19226871 | |
| 1303 535.3019 10075790 | |
| 1304 207.1969 3373287 | |
| 1305 | |
| 1306 NAME:C084 | |
| 1307 IONMODE:Negative | |
| 1308 RETENTIONTIME:502.62 | |
| 1309 RETENTIONINDEX: | |
| 1310 SPECTRUMTYPE:Centroid | |
| 1311 Num Peaks:4 | |
| 1312 473.3452 10623724 | |
| 1313 517.3716 8926693 | |
| 1314 458.3479 6136032 | |
| 1315 590.4116 3279579 | |
| 1316 | |
| 1317 NAME:C085 | |
| 1318 IONMODE:Negative | |
| 1319 RETENTIONTIME:505.7 | |
| 1320 RETENTIONINDEX: | |
| 1321 SPECTRUMTYPE:Centroid | |
| 1322 Num Peaks:4 | |
| 1323 426.3579 107580438 | |
| 1324 400.339 54213917 | |
| 1325 427.3613 29338788 | |
| 1326 401.3452 13221351 | |
| 1327 | |
| 1328 NAME:C086 | |
| 1329 IONMODE:Negative | |
| 1330 RETENTIONTIME:440.16 | |
| 1331 RETENTIONINDEX: | |
| 1332 SPECTRUMTYPE:Centroid | |
| 1333 Num Peaks:4 | |
| 1334 284.1286 13622785 | |
| 1335 230.2479 7797320 | |
| 1336 417.3195 4847876 | |
| 1337 214.2533 1493815 | |
| 1338 | |
| 1339 NAME:C087 | |
| 1340 IONMODE:Negative | |
| 1341 RETENTIONTIME:437.62 | |
| 1342 RETENTIONINDEX: | |
| 1343 SPECTRUMTYPE:Centroid | |
| 1344 Num Peaks:4 | |
| 1345 476.2963 13371322 | |
| 1346 394.2904 10535151 | |
| 1347 471.7966 5456746 | |
| 1348 540.3676 4228098 | |
| 1349 | |
| 1350 NAME:C088 | |
| 1351 IONMODE:Negative | |
| 1352 RETENTIONTIME:430.41 | |
| 1353 RETENTIONINDEX: | |
| 1354 SPECTRUMTYPE:Centroid | |
| 1355 Num Peaks:4 | |
| 1356 348.9906 5939980 | |
| 1357 350.9873 5719912 | |
| 1358 426.1135 590428 | |
| 1359 428.1109 573856 | |
| 1360 | |
| 1361 NAME:C089 | |
| 1362 IONMODE:Negative | |
| 1363 RETENTIONTIME:407.21 | |
| 1364 RETENTIONINDEX: | |
| 1365 SPECTRUMTYPE:Centroid | |
| 1366 Num Peaks:4 | |
| 1367 158.1543 12609020 | |
| 1368 374.2762 3731741 | |
| 1369 391.209 1174675 | |
| 1370 159.1576 1084056 | |
| 1371 | |
| 1372 NAME:C090 | |
| 1373 IONMODE:Negative | |
| 1374 RETENTIONTIME:38.56 | |
| 1375 RETENTIONINDEX: | |
| 1376 SPECTRUMTYPE:Centroid | |
| 1377 Num Peaks:3 | |
| 1378 104.1071 417600412 | |
| 1379 98.919 34309379 | |
| 1380 137.0709 19389252 | |
| 1381 | |
| 1382 NAME:C091 | |
| 1383 IONMODE:Negative | |
| 1384 RETENTIONTIME:41.11 | |
| 1385 RETENTIONINDEX: | |
| 1386 SPECTRUMTYPE:Centroid | |
| 1387 Num Peaks:3 | |
| 1388 94.0648 29912950 | |
| 1389 110.0706 3533397 | |
| 1390 96.0453 2810684 | |
| 1391 | |
| 1392 NAME:C092 | |
| 1393 IONMODE:Negative | |
| 1394 RETENTIONTIME:47.76 | |
| 1395 RETENTIONINDEX: | |
| 1396 SPECTRUMTYPE:Centroid | |
| 1397 Num Peaks:3 | |
| 1398 195.0878 229226763 | |
| 1399 181.0711 22419168 | |
| 1400 196.0894 20952137 | |
| 1401 | |
| 1402 NAME:C093 | |
| 1403 IONMODE:Negative | |
| 1404 RETENTIONTIME:43.24 | |
| 1405 RETENTIONINDEX: | |
| 1406 SPECTRUMTYPE:Centroid | |
| 1407 Num Peaks:3 | |
| 1408 286.2015 11316338 | |
| 1409 153.0676 6096061 | |
| 1410 304.2116 3065540 | |
| 1411 | |
| 1412 NAME:C094 | |
| 1413 IONMODE:Negative | |
| 1414 RETENTIONTIME:59.41 | |
| 1415 RETENTIONINDEX: | |
| 1416 SPECTRUMTYPE:Centroid | |
| 1417 Num Peaks:3 | |
| 1418 346.0096 208562691 | |
| 1419 302.02 42982160 | |
| 1420 344.0145 12088963 | |
| 1421 | |
| 1422 NAME:C095 | |
| 1423 IONMODE:Negative | |
| 1424 RETENTIONTIME:17.88 | |
| 1425 RETENTIONINDEX: | |
| 1426 SPECTRUMTYPE:Centroid | |
| 1427 Num Peaks:3 | |
| 1428 287.8894 13522201 | |
| 1429 246.8615 7541207 | |
| 1430 305.9005 3724287 | |
| 1431 | |
| 1432 NAME:C096 | |
| 1433 IONMODE:Negative | |
| 1434 RETENTIONTIME:18.25 | |
| 1435 RETENTIONINDEX: | |
| 1436 SPECTRUMTYPE:Centroid | |
| 1437 Num Peaks:3 | |
| 1438 241.8884 9750879 | |
| 1439 259.8949 3972734 | |
| 1440 304.8923 2897534 | |
| 1441 | |
| 1442 NAME:C097 | |
| 1443 IONMODE:Negative | |
| 1444 RETENTIONTIME:17.2 | |
| 1445 RETENTIONINDEX: | |
| 1446 SPECTRUMTYPE:Centroid | |
| 1447 Num Peaks:3 | |
| 1448 111.9685 52093481 | |
| 1449 294.8639 3662077 | |
| 1450 88.9319 1738316 | |
| 1451 | |
| 1452 NAME:C098 | |
| 1453 IONMODE:Negative | |
| 1454 RETENTIONTIME:520.97 | |
| 1455 RETENTIONINDEX: | |
| 1456 SPECTRUMTYPE:Centroid | |
| 1457 Num Peaks:3 | |
| 1458 320.168 7908369 | |
| 1459 314.0269 3344905 | |
| 1460 321.1683 2715496 | |
| 1461 | |
| 1462 NAME:C099 | |
| 1463 IONMODE:Negative | |
| 1464 RETENTIONTIME:513.8 | |
| 1465 RETENTIONINDEX: | |
| 1466 SPECTRUMTYPE:Centroid | |
| 1467 Num Peaks:3 | |
| 1468 228.2326 6233400 | |
| 1469 268.2658 2396656 | |
| 1470 220.1175 1361371 | |
| 1471 | |
| 1472 NAME:C100 | |
| 1473 IONMODE:Negative | |
| 1474 RETENTIONTIME:589.95 | |
| 1475 RETENTIONINDEX: | |
| 1476 SPECTRUMTYPE:Centroid | |
| 1477 Num Peaks:3 | |
| 1478 810.6019 170332070 | |
| 1479 732.5543 29332289 | |
| 1480 733.5576 12786143 | |
| 1481 | |
| 1482 NAME:C101 | |
| 1483 IONMODE:Negative | |
| 1484 RETENTIONTIME:596.5 | |
| 1485 RETENTIONINDEX: | |
| 1486 SPECTRUMTYPE:Centroid | |
| 1487 Num Peaks:3 | |
| 1488 378.2092 6124105 | |
| 1489 663.4541 1495638 | |
| 1490 325.2922 966346 | |
| 1491 | |
| 1492 NAME:C102 | |
| 1493 IONMODE:Negative | |
| 1494 RETENTIONTIME:568.65 | |
| 1495 RETENTIONINDEX: | |
| 1496 SPECTRUMTYPE:Centroid | |
| 1497 Num Peaks:3 | |
| 1498 235.1326 4646021 | |
| 1499 236.1305 1698666 | |
| 1500 190.0013 1371611 | |
| 1501 | |
| 1502 NAME:C103 | |
| 1503 IONMODE:Negative | |
| 1504 RETENTIONTIME:535.76 | |
| 1505 RETENTIONINDEX: | |
| 1506 SPECTRUMTYPE:Centroid | |
| 1507 Num Peaks:3 | |
| 1508 263.2373 9502360 | |
| 1509 614.4833 2200287 | |
| 1510 658.51 2078188 | |
| 1511 | |
| 1512 NAME:C104 | |
| 1513 IONMODE:Negative | |
| 1514 RETENTIONTIME:531.01 | |
| 1515 RETENTIONINDEX: | |
| 1516 SPECTRUMTYPE:Centroid | |
| 1517 Num Peaks:3 | |
| 1518 466.33 13287998 | |
| 1519 467.3202 3787115 | |
| 1520 237.22 1561112 | |
| 1521 | |
| 1522 NAME:C105 | |
| 1523 IONMODE:Negative | |
| 1524 RETENTIONTIME:351.57 | |
| 1525 RETENTIONINDEX: | |
| 1526 SPECTRUMTYPE:Centroid | |
| 1527 Num Peaks:3 | |
| 1528 363.2171 20574377 | |
| 1529 364.2205 4609697 | |
| 1530 361.2015 3929265 | |
| 1531 | |
| 1532 NAME:C106 | |
| 1533 IONMODE:Negative | |
| 1534 RETENTIONTIME:358.55 | |
| 1535 RETENTIONINDEX: | |
| 1536 SPECTRUMTYPE:Centroid | |
| 1537 Num Peaks:3 | |
| 1538 288.2172 21440274 | |
| 1539 311.2052 7425805 | |
| 1540 332.2433 6088330 | |
| 1541 | |
| 1542 NAME:C107 | |
| 1543 IONMODE:Negative | |
| 1544 RETENTIONTIME:402.91 | |
| 1545 RETENTIONINDEX: | |
| 1546 SPECTRUMTYPE:Centroid | |
| 1547 Num Peaks:3 | |
| 1548 583.2564 11666865 | |
| 1549 633.2562 5502961 | |
| 1550 584.2607 4806507 | |
| 1551 | |
| 1552 NAME:C108 | |
| 1553 IONMODE:Negative | |
| 1554 RETENTIONTIME:388.14 | |
| 1555 RETENTIONINDEX: | |
| 1556 SPECTRUMTYPE:Centroid | |
| 1557 Num Peaks:3 | |
| 1558 274.2123 89701347 | |
| 1559 416.3167 18882679 | |
| 1560 284.9615 3063470 | |
| 1561 | |
| 1562 NAME:C109 | |
| 1563 IONMODE:Negative | |
| 1564 RETENTIONTIME:449.77 | |
| 1565 RETENTIONINDEX: | |
| 1566 SPECTRUMTYPE:Centroid | |
| 1567 Num Peaks:3 | |
| 1568 266.6214 6852794 | |
| 1569 361.2739 5667417 | |
| 1570 489.1806 1695863 | |
| 1571 | |
| 1572 NAME:C110 | |
| 1573 IONMODE:Negative | |
| 1574 RETENTIONTIME:469.09 | |
| 1575 RETENTIONINDEX: | |
| 1576 SPECTRUMTYPE:Centroid | |
| 1577 Num Peaks:3 | |
| 1578 454.2933 89940088 | |
| 1579 455.2967 19108220 | |
| 1580 436.2823 1402683 | |
| 1581 | |
| 1582 NAME:C111 | |
| 1583 IONMODE:Negative | |
| 1584 RETENTIONTIME:475.44 | |
| 1585 RETENTIONINDEX: | |
| 1586 SPECTRUMTYPE:Centroid | |
| 1587 Num Peaks:3 | |
| 1588 515.3077 11336664 | |
| 1589 596.2657 6107659 | |
| 1590 599.4392 1882543 | |
| 1591 | |
| 1592 NAME:C112 | |
| 1593 IONMODE:Negative | |
| 1594 RETENTIONTIME:480.9 | |
| 1595 RETENTIONINDEX: | |
| 1596 SPECTRUMTYPE:Centroid | |
| 1597 Num Peaks:3 | |
| 1598 424.3453 65681466 | |
| 1599 425.3459 16618174 | |
| 1600 448.3429 4650811 | |
| 1601 | |
| 1602 NAME:C113 | |
| 1603 IONMODE:Negative | |
| 1604 RETENTIONTIME:507.69 | |
| 1605 RETENTIONINDEX: | |
| 1606 SPECTRUMTYPE:Centroid | |
| 1607 Num Peaks:3 | |
| 1608 283.2017 5499746 | |
| 1609 261.2422 1470485 | |
| 1610 369.1252 1397276 | |
| 1611 | |
| 1612 NAME:C114 | |
| 1613 IONMODE:Negative | |
| 1614 RETENTIONTIME:500.04 | |
| 1615 RETENTIONINDEX: | |
| 1616 SPECTRUMTYPE:Centroid | |
| 1617 Num Peaks:3 | |
| 1618 111.5221 8871153 | |
| 1619 109.5218 8470191 | |
| 1620 469.3939 8286428 | |
| 1621 | |
| 1622 NAME:C115 | |
| 1623 IONMODE:Negative | |
| 1624 RETENTIONTIME:498.95 | |
| 1625 RETENTIONINDEX: | |
| 1626 SPECTRUMTYPE:Centroid | |
| 1627 Num Peaks:3 | |
| 1628 239.1464 2483711 | |
| 1629 390.3208 1535784 | |
| 1630 259.1161 653696 | |
| 1631 | |
| 1632 NAME:C116 | |
| 1633 IONMODE:Negative | |
| 1634 RETENTIONTIME:455.37 | |
| 1635 RETENTIONINDEX: | |
| 1636 SPECTRUMTYPE:Centroid | |
| 1637 Num Peaks:3 | |
| 1638 229.0895 4621754 | |
| 1639 354.2842 3818861 | |
| 1640 257.2238 2133166 | |
| 1641 | |
| 1642 NAME:C117 | |
| 1643 IONMODE:Negative | |
| 1644 RETENTIONTIME:425.37 | |
| 1645 RETENTIONINDEX: | |
| 1646 SPECTRUMTYPE:Centroid | |
| 1647 Num Peaks:3 | |
| 1648 356.2801 11507639 | |
| 1649 177.0628 3105367 | |
| 1650 245.0854 1520439 | |
| 1651 | |
| 1652 NAME:C118 | |
| 1653 IONMODE:Negative | |
| 1654 RETENTIONTIME:439.21 | |
| 1655 RETENTIONINDEX: | |
| 1656 SPECTRUMTYPE:Centroid | |
| 1657 Num Peaks:3 | |
| 1658 380.2567 13628316 | |
| 1659 382.2719 3659980 | |
| 1660 264.2696 3219638 | |
| 1661 | |
| 1662 NAME:C119 | |
| 1663 IONMODE:Negative | |
| 1664 RETENTIONTIME:75.44 | |
| 1665 RETENTIONINDEX: | |
| 1666 SPECTRUMTYPE:Centroid | |
| 1667 Num Peaks:2 | |
| 1668 267.043 3378727 | |
| 1669 244.0267 1028121 | |
| 1670 | |
| 1671 NAME:C120 | |
| 1672 IONMODE:Negative | |
| 1673 RETENTIONTIME:38.24 | |
| 1674 RETENTIONINDEX: | |
| 1675 SPECTRUMTYPE:Centroid | |
| 1676 Num Peaks:2 | |
| 1677 130.0494 15956803 | |
| 1678 239.9654 1459631 | |
| 1679 | |
| 1680 NAME:C121 | |
| 1681 IONMODE:Negative | |
| 1682 RETENTIONTIME:35.65 | |
| 1683 RETENTIONINDEX: | |
| 1684 SPECTRUMTYPE:Centroid | |
| 1685 Num Peaks:2 | |
| 1686 468.745 4564703 | |
| 1687 465.8067 2674183 | |
| 1688 | |
| 1689 NAME:C122 | |
| 1690 IONMODE:Negative | |
| 1691 RETENTIONTIME:42.78 | |
| 1692 RETENTIONINDEX: | |
| 1693 SPECTRUMTYPE:Centroid | |
| 1694 Num Peaks:2 | |
| 1695 246.1704 11953696 | |
| 1696 232.1548 11289500 | |
| 1697 | |
| 1698 NAME:C123 | |
| 1699 IONMODE:Negative | |
| 1700 RETENTIONTIME:40.19 | |
| 1701 RETENTIONINDEX: | |
| 1702 SPECTRUMTYPE:Centroid | |
| 1703 Num Peaks:2 | |
| 1704 149.9462 11520115 | |
| 1705 102.0359 2328253 | |
| 1706 | |
| 1707 NAME:C124 | |
| 1708 IONMODE:Negative | |
| 1709 RETENTIONTIME:40.7 | |
| 1710 RETENTIONINDEX: | |
| 1711 SPECTRUMTYPE:Centroid | |
| 1712 Num Peaks:2 | |
| 1713 147.0736 18882528 | |
| 1714 229.1558 16017750 | |
| 1715 | |
| 1716 NAME:C125 | |
| 1717 IONMODE:Negative | |
| 1718 RETENTIONTIME:35.04 | |
| 1719 RETENTIONINDEX: | |
| 1720 SPECTRUMTYPE:Centroid | |
| 1721 Num Peaks:2 | |
| 1722 276.896 10711749 | |
| 1723 271.9473 2149468 | |
| 1724 | |
| 1725 NAME:C126 | |
| 1726 IONMODE:Negative | |
| 1727 RETENTIONTIME:36.81 | |
| 1728 RETENTIONINDEX: | |
| 1729 SPECTRUMTYPE:Centroid | |
| 1730 Num Peaks:2 | |
| 1731 140.0669 214841376 | |
| 1732 141.0353 15611039 | |
| 1733 | |
| 1734 NAME:C127 | |
| 1735 IONMODE:Negative | |
| 1736 RETENTIONTIME:17.03 | |
| 1737 RETENTIONINDEX: | |
| 1738 SPECTRUMTYPE:Centroid | |
| 1739 Num Peaks:2 | |
| 1740 277.8643 3798476 | |
| 1741 295.8715 2325241 | |
| 1742 | |
| 1743 NAME:C128 | |
| 1744 IONMODE:Negative | |
| 1745 RETENTIONTIME:317.37 | |
| 1746 RETENTIONINDEX: | |
| 1747 SPECTRUMTYPE:Centroid | |
| 1748 Num Peaks:2 | |
| 1749 286.2016 21614042 | |
| 1750 287.2049 3344526 | |
| 1751 | |
| 1752 NAME:C129 | |
| 1753 IONMODE:Negative | |
| 1754 RETENTIONTIME:520.57 | |
| 1755 RETENTIONINDEX: | |
| 1756 SPECTRUMTYPE:Centroid | |
| 1757 Num Peaks:2 | |
| 1758 1205.3044 6938899 | |
| 1759 943.6165 3052234 | |
| 1760 | |
| 1761 NAME:C130 | |
| 1762 IONMODE:Negative | |
| 1763 RETENTIONTIME:511.04 | |
| 1764 RETENTIONINDEX: | |
| 1765 SPECTRUMTYPE:Centroid | |
| 1766 Num Peaks:2 | |
| 1767 341.2854 4773092 | |
| 1768 269.983 889010 | |
| 1769 | |
| 1770 NAME:C131 | |
| 1771 IONMODE:Negative | |
| 1772 RETENTIONTIME:584.44 | |
| 1773 RETENTIONINDEX: | |
| 1774 SPECTRUMTYPE:Centroid | |
| 1775 Num Peaks:2 | |
| 1776 111.0204 81745635 | |
| 1777 139.9881 60275297 | |
| 1778 | |
| 1779 NAME:C132 | |
| 1780 IONMODE:Negative | |
| 1781 RETENTIONTIME:594.5 | |
| 1782 RETENTIONINDEX: | |
| 1783 SPECTRUMTYPE:Centroid | |
| 1784 Num Peaks:2 | |
| 1785 241.1402 2703532 | |
| 1786 253.2523 948549 | |
| 1787 | |
| 1788 NAME:C133 | |
| 1789 IONMODE:Negative | |
| 1790 RETENTIONTIME:587.56 | |
| 1791 RETENTIONINDEX: | |
| 1792 SPECTRUMTYPE:Centroid | |
| 1793 Num Peaks:2 | |
| 1794 134.1177 233169113 | |
| 1795 135.1211 15007034 | |
| 1796 | |
| 1797 NAME:C134 | |
| 1798 IONMODE:Negative | |
| 1799 RETENTIONTIME:586.91 | |
| 1800 RETENTIONINDEX: | |
| 1801 SPECTRUMTYPE:Centroid | |
| 1802 Num Peaks:2 | |
| 1803 118.1228 927034767 | |
| 1804 100.1122 314050032 | |
| 1805 | |
| 1806 NAME:C135 | |
| 1807 IONMODE:Negative | |
| 1808 RETENTIONTIME:587 | |
| 1809 RETENTIONINDEX: | |
| 1810 SPECTRUMTYPE:Centroid | |
| 1811 Num Peaks:2 | |
| 1812 101.1156 19921503 | |
| 1813 90.0915 18125403 | |
| 1814 | |
| 1815 NAME:C136 | |
| 1816 IONMODE:Negative | |
| 1817 RETENTIONTIME:586.09 | |
| 1818 RETENTIONINDEX: | |
| 1819 SPECTRUMTYPE:Centroid | |
| 1820 Num Peaks:2 | |
| 1821 125.0745 5222472 | |
| 1822 284.3251 3483102 | |
| 1823 | |
| 1824 NAME:C137 | |
| 1825 IONMODE:Negative | |
| 1826 RETENTIONTIME:567.43 | |
| 1827 RETENTIONINDEX: | |
| 1828 SPECTRUMTYPE:Centroid | |
| 1829 Num Peaks:2 | |
| 1830 572.8946 4699172 | |
| 1831 573.9011 965749 | |
| 1832 | |
| 1833 NAME:C138 | |
| 1834 IONMODE:Negative | |
| 1835 RETENTIONTIME:567.99 | |
| 1836 RETENTIONINDEX: | |
| 1837 SPECTRUMTYPE:Centroid | |
| 1838 Num Peaks:2 | |
| 1839 571.8874 9632225 | |
| 1840 737.0252 3438536 | |
| 1841 | |
| 1842 NAME:C139 | |
| 1843 IONMODE:Negative | |
| 1844 RETENTIONTIME:569.1 | |
| 1845 RETENTIONINDEX: | |
| 1846 SPECTRUMTYPE:Centroid | |
| 1847 Num Peaks:2 | |
| 1848 467.2343 5702586 | |
| 1849 354.2721 3585655 | |
| 1850 | |
| 1851 NAME:C140 | |
| 1852 IONMODE:Negative | |
| 1853 RETENTIONTIME:561.51 | |
| 1854 RETENTIONINDEX: | |
| 1855 SPECTRUMTYPE:Centroid | |
| 1856 Num Peaks:2 | |
| 1857 428.3739 27323731 | |
| 1858 454.3894 5088107 | |
| 1859 | |
| 1860 NAME:C141 | |
| 1861 IONMODE:Negative | |
| 1862 RETENTIONTIME:536.31 | |
| 1863 RETENTIONINDEX: | |
| 1864 SPECTRUMTYPE:Centroid | |
| 1865 Num Peaks:2 | |
| 1866 333.1517 8840004 | |
| 1867 334.1551 1501440 | |
| 1868 | |
| 1869 NAME:C142 | |
| 1870 IONMODE:Negative | |
| 1871 RETENTIONTIME:543.48 | |
| 1872 RETENTIONINDEX: | |
| 1873 SPECTRUMTYPE:Centroid | |
| 1874 Num Peaks:2 | |
| 1875 383.188 14719171 | |
| 1876 384.1866 3279849 | |
| 1877 | |
| 1878 NAME:C143 | |
| 1879 IONMODE:Negative | |
| 1880 RETENTIONTIME:548.78 | |
| 1881 RETENTIONINDEX: | |
| 1882 SPECTRUMTYPE:Centroid | |
| 1883 Num Peaks:2 | |
| 1884 387.1432 12915848 | |
| 1885 407.6598 4564346 | |
| 1886 | |
| 1887 NAME:C144 | |
| 1888 IONMODE:Negative | |
| 1889 RETENTIONTIME:553.62 | |
| 1890 RETENTIONINDEX: | |
| 1891 SPECTRUMTYPE:Centroid | |
| 1892 Num Peaks:2 | |
| 1893 359.1781 45383099 | |
| 1894 360.185 9704481 | |
| 1895 | |
| 1896 NAME:C145 | |
| 1897 IONMODE:Negative | |
| 1898 RETENTIONTIME:545.31 | |
| 1899 RETENTIONINDEX: | |
| 1900 SPECTRUMTYPE:Centroid | |
| 1901 Num Peaks:2 | |
| 1902 443.3331 1151694 | |
| 1903 394.3559 432819 | |
| 1904 | |
| 1905 NAME:C146 | |
| 1906 IONMODE:Negative | |
| 1907 RETENTIONTIME:551.39 | |
| 1908 RETENTIONINDEX: | |
| 1909 SPECTRUMTYPE:Centroid | |
| 1910 Num Peaks:2 | |
| 1911 350.1838 4199726 | |
| 1912 365.2288 1932289 | |
| 1913 | |
| 1914 NAME:C147 | |
| 1915 IONMODE:Negative | |
| 1916 RETENTIONTIME:563.22 | |
| 1917 RETENTIONINDEX: | |
| 1918 SPECTRUMTYPE:Centroid | |
| 1919 Num Peaks:2 | |
| 1920 282.2792 241362345 | |
| 1921 256.2615 19433189 | |
| 1922 | |
| 1923 NAME:C148 | |
| 1924 IONMODE:Negative | |
| 1925 RETENTIONTIME:548.47 | |
| 1926 RETENTIONINDEX: | |
| 1927 SPECTRUMTYPE:Centroid | |
| 1928 Num Peaks:2 | |
| 1929 305.2468 9633582 | |
| 1930 329.249 5814756 | |
| 1931 | |
| 1932 NAME:C149 | |
| 1933 IONMODE:Negative | |
| 1934 RETENTIONTIME:350.93 | |
| 1935 RETENTIONINDEX: | |
| 1936 SPECTRUMTYPE:Centroid | |
| 1937 Num Peaks:2 | |
| 1938 130.0643 7419216 | |
| 1939 190.0865 4433780 | |
| 1940 | |
| 1941 NAME:C150 | |
| 1942 IONMODE:Negative | |
| 1943 RETENTIONTIME:365.37 | |
| 1944 RETENTIONINDEX: | |
| 1945 SPECTRUMTYPE:Centroid | |
| 1946 Num Peaks:2 | |
| 1947 490.2083 5275418 | |
| 1948 465.1226 1763287 | |
| 1949 | |
| 1950 NAME:C151 | |
| 1951 IONMODE:Negative | |
| 1952 RETENTIONTIME:394.87 | |
| 1953 RETENTIONINDEX: | |
| 1954 SPECTRUMTYPE:Centroid | |
| 1955 Num Peaks:2 | |
| 1956 328.2481 11119434 | |
| 1957 329.2519 2068394 | |
| 1958 | |
| 1959 NAME:C152 | |
| 1960 IONMODE:Negative | |
| 1961 RETENTIONTIME:385.78 | |
| 1962 RETENTIONINDEX: | |
| 1963 SPECTRUMTYPE:Centroid | |
| 1964 Num Peaks:2 | |
| 1965 427.1607 2275086 | |
| 1966 409.1497 1369551 | |
| 1967 | |
| 1968 NAME:C153 | |
| 1969 IONMODE:Negative | |
| 1970 RETENTIONTIME:401.39 | |
| 1971 RETENTIONINDEX: | |
| 1972 SPECTRUMTYPE:Centroid | |
| 1973 Num Peaks:2 | |
| 1974 107.0557 2271180 | |
| 1975 197.1612 1286942 | |
| 1976 | |
| 1977 NAME:C154 | |
| 1978 IONMODE:Negative | |
| 1979 RETENTIONTIME:388.72 | |
| 1980 RETENTIONINDEX: | |
| 1981 SPECTRUMTYPE:Centroid | |
| 1982 Num Peaks:2 | |
| 1983 239.1276 1743749 | |
| 1984 286.9585 1645545 | |
| 1985 | |
| 1986 NAME:C155 | |
| 1987 IONMODE:Negative | |
| 1988 RETENTIONTIME:373.67 | |
| 1989 RETENTIONINDEX: | |
| 1990 SPECTRUMTYPE:Centroid | |
| 1991 Num Peaks:2 | |
| 1992 507.1617 6285930 | |
| 1993 508.1657 1535734 | |
| 1994 | |
| 1995 NAME:C156 | |
| 1996 IONMODE:Negative | |
| 1997 RETENTIONTIME:378.37 | |
| 1998 RETENTIONINDEX: | |
| 1999 SPECTRUMTYPE:Centroid | |
| 2000 Num Peaks:2 | |
| 2001 777.6928 4522421 | |
| 2002 257.2254 3302868 | |
| 2003 | |
| 2004 NAME:C157 | |
| 2005 IONMODE:Negative | |
| 2006 RETENTIONTIME:473.08 | |
| 2007 RETENTIONINDEX: | |
| 2008 SPECTRUMTYPE:Centroid | |
| 2009 Num Peaks:2 | |
| 2010 534.2949 13399261 | |
| 2011 267.6425 11780168 | |
| 2012 | |
| 2013 NAME:C158 | |
| 2014 IONMODE:Negative | |
| 2015 RETENTIONTIME:508.15 | |
| 2016 RETENTIONINDEX: | |
| 2017 SPECTRUMTYPE:Centroid | |
| 2018 Num Peaks:2 | |
| 2019 380.2992 5790633 | |
| 2020 423.2518 1386850 | |
| 2021 | |
| 2022 NAME:C159 | |
| 2023 IONMODE:Negative | |
| 2024 RETENTIONTIME:471.89 | |
| 2025 RETENTIONINDEX: | |
| 2026 SPECTRUMTYPE:Centroid | |
| 2027 Num Peaks:2 | |
| 2028 304.2357 21716257 | |
| 2029 306.1523 8327492 | |
| 2030 | |
| 2031 NAME:C160 | |
| 2032 IONMODE:Negative | |
| 2033 RETENTIONTIME:465.45 | |
| 2034 RETENTIONINDEX: | |
| 2035 SPECTRUMTYPE:Centroid | |
| 2036 Num Peaks:2 | |
| 2037 295.1974 20379534 | |
| 2038 193.1239 1274413 | |
| 2039 | |
| 2040 NAME:C161 | |
| 2041 IONMODE:Negative | |
| 2042 RETENTIONTIME:488.7 | |
| 2043 RETENTIONINDEX: | |
| 2044 SPECTRUMTYPE:Centroid | |
| 2045 Num Peaks:2 | |
| 2046 667.4214 3075774 | |
| 2047 1189.7766 2040172 | |
| 2048 | |
| 2049 NAME:C162 | |
| 2050 IONMODE:Negative | |
| 2051 RETENTIONTIME:471.97 | |
| 2052 RETENTIONINDEX: | |
| 2053 SPECTRUMTYPE:Centroid | |
| 2054 Num Peaks:2 | |
| 2055 393.2201 8389493 | |
| 2056 316.6601 7221684 | |
| 2057 | |
| 2058 NAME:C163 | |
| 2059 IONMODE:Negative | |
| 2060 RETENTIONTIME:465.16 | |
| 2061 RETENTIONINDEX: | |
| 2062 SPECTRUMTYPE:Centroid | |
| 2063 Num Peaks:2 | |
| 2064 431.3157 12163271 | |
| 2065 422.3267 4962906 | |
| 2066 | |
| 2067 NAME:C164 | |
| 2068 IONMODE:Negative | |
| 2069 RETENTIONTIME:474.29 | |
| 2070 RETENTIONINDEX: | |
| 2071 SPECTRUMTYPE:Centroid | |
| 2072 Num Peaks:2 | |
| 2073 398.3268 11918127 | |
| 2074 239.1779 8236995 | |
| 2075 | |
| 2076 NAME:C165 | |
| 2077 IONMODE:Negative | |
| 2078 RETENTIONTIME:477.74 | |
| 2079 RETENTIONINDEX: | |
| 2080 SPECTRUMTYPE:Centroid | |
| 2081 Num Peaks:2 | |
| 2082 307.15 1941191 | |
| 2083 249.1858 1576729 | |
| 2084 | |
| 2085 NAME:C166 | |
| 2086 IONMODE:Negative | |
| 2087 RETENTIONTIME:494.51 | |
| 2088 RETENTIONINDEX: | |
| 2089 SPECTRUMTYPE:Centroid | |
| 2090 Num Peaks:2 | |
| 2091 355.2846 54372680 | |
| 2092 373.2951 6108864 | |
| 2093 | |
| 2094 NAME:C167 | |
| 2095 IONMODE:Negative | |
| 2096 RETENTIONTIME:497.67 | |
| 2097 RETENTIONINDEX: | |
| 2098 SPECTRUMTYPE:Centroid | |
| 2099 Num Peaks:2 | |
| 2100 474.3486 2732000 | |
| 2101 649.4483 2434649 | |
| 2102 | |
| 2103 NAME:C168 | |
| 2104 IONMODE:Negative | |
| 2105 RETENTIONTIME:498.02 | |
| 2106 RETENTIONINDEX: | |
| 2107 SPECTRUMTYPE:Centroid | |
| 2108 Num Peaks:2 | |
| 2109 539.4163 5285541 | |
| 2110 459.2569 3550909 | |
| 2111 | |
| 2112 NAME:C169 | |
| 2113 IONMODE:Negative | |
| 2114 RETENTIONTIME:492.45 | |
| 2115 RETENTIONINDEX: | |
| 2116 SPECTRUMTYPE:Centroid | |
| 2117 Num Peaks:2 | |
| 2118 732.5452 4526953 | |
| 2119 733.5465 1043642 | |
| 2120 | |
| 2121 NAME:C170 | |
| 2122 IONMODE:Negative | |
| 2123 RETENTIONTIME:497.3 | |
| 2124 RETENTIONINDEX: | |
| 2125 SPECTRUMTYPE:Centroid | |
| 2126 Num Peaks:2 | |
| 2127 451.3631 6446370 | |
| 2128 450.3586 4210116 | |
| 2129 | |
| 2130 NAME:C171 | |
| 2131 IONMODE:Negative | |
| 2132 RETENTIONTIME:467.81 | |
| 2133 RETENTIONINDEX: | |
| 2134 SPECTRUMTYPE:Centroid | |
| 2135 Num Peaks:2 | |
| 2136 185.0776 5067455 | |
| 2137 200.203 1398415 | |
| 2138 | |
| 2139 NAME:C172 | |
| 2140 IONMODE:Negative | |
| 2141 RETENTIONTIME:457.02 | |
| 2142 RETENTIONINDEX: | |
| 2143 SPECTRUMTYPE:Centroid | |
| 2144 Num Peaks:2 | |
| 2145 263.2347 3933284 | |
| 2146 615.2633 1132491 | |
| 2147 | |
| 2148 NAME:C173 | |
| 2149 IONMODE:Negative | |
| 2150 RETENTIONTIME:443.89 | |
| 2151 RETENTIONINDEX: | |
| 2152 SPECTRUMTYPE:Centroid | |
| 2153 Num Peaks:2 | |
| 2154 370.2956 41596161 | |
| 2155 371.304 9966707 | |
| 2156 | |
| 2157 NAME:C174 | |
| 2158 IONMODE:Negative | |
| 2159 RETENTIONTIME:438.81 | |
| 2160 RETENTIONINDEX: | |
| 2161 SPECTRUMTYPE:Centroid | |
| 2162 Num Peaks:2 | |
| 2163 579.2938 6044865 | |
| 2164 330.2563 5274387 | |
| 2165 |