comparison test-data/similarity/fill.msp @ 0:60f34912b3de draft

"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author recetox
date Tue, 22 Mar 2022 16:08:45 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:60f34912b3de
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