-
Notifications
You must be signed in to change notification settings - Fork 1
/
variableMetadata.tabular
557 lines (557 loc) · 95.1 KB
/
variableMetadata.tabular
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
358
359
360
361
362
363
364
365
366
367
368
369
370
371
372
373
374
375
376
377
378
379
380
381
382
383
384
385
386
387
388
389
390
391
392
393
394
395
396
397
398
399
400
401
402
403
404
405
406
407
408
409
410
411
412
413
414
415
416
417
418
419
420
421
422
423
424
425
426
427
428
429
430
431
432
433
434
435
436
437
438
439
440
441
442
443
444
445
446
447
448
449
450
451
452
453
454
455
456
457
458
459
460
461
462
463
464
465
466
467
468
469
470
471
472
473
474
475
476
477
478
479
480
481
482
483
484
485
486
487
488
489
490
491
492
493
494
495
496
497
498
499
500
501
502
503
504
505
506
507
508
509
510
511
512
513
514
515
516
517
518
519
520
521
522
523
524
525
526
527
528
529
530
531
532
533
534
535
536
537
538
539
540
541
542
543
544
545
546
547
548
549
550
551
552
553
554
555
556
557
variableMetadata mz mzmin mzmax rt rtmin rtmax npeaks control treatment isotopes adduct pcgroup PCA_XLOAD-p1 PCA_XLOAD-p2
PM58.065T66 58.0649616577015 58.0648970777637 58.0653140830574 66.4569085127684 65.6302531891097 69.8827733003833 13 3 10 [M-H-C6H8O6]- 235.105 7 0.0444580102916217 -0.0343976736297
PM59.0362T637 59.0361991847715 59.0360998567896 59.0365812350582 637.341103007695 628.128559167436 645.065692191741 29 3 26 1 0.0325577281914756 0.0720926219693828
PM59.0606T284 59.0605836804757 59.0605613369902 59.060597610396 283.728855016502 268.145711881462 285.739062189393 7 3 4 25 -0.0273714520866311 -0.00792884533525291
PM59.0606T68 59.0605872209504 59.0605776285004 59.0726336046207 68.4751863106318 64.9737065076563 70.8135094183931 6 3 3 21 -0.0330578833811803 -0.0171094411006246
PM60.0558T363 60.0558291245611 60.0557983617521 60.0558620903094 362.99493553802 350.087756916266 370.612380934883 42 6 36 50 0.00926897282727714 0.0248533883518272
PM60.0558T745 60.0558083902276 60.044573312429 60.0558521389992 744.988599401189 696.665913738628 749.002171164123 22 3 16 [M-H-CH3]- 76.0822 95 0.05984942299677 0.00273082046493986
PM60.081T66 60.080983523099 60.0809475241736 60.0810151676251 66.0563353227881 64.4593925428515 159.233710935131 41 6 32 [M-H-C4H8]- 117.149 7 0.0522933576900129 -0.0294973234327019
PM61.0398T165 61.0398212739586 61.0397978604016 61.0398488364881 165.421497310763 163.29628760783 186.970106464683 14 6 8 48 0.0213225436654477 -0.0279948758517441
PM62.0602T352 62.0601947061464 62.0601500557991 62.0602302402622 351.869377161561 345.840496889973 361.660675587353 42 6 36 163 0.0472174273434776 -0.040704317979659
PM64.0159T321 64.0158714803237 64.0158365383995 64.0294789851016 321.149360432711 300.94439521352 347.757001353444 40 6 34 [1][M]- 8 -0.0123281791033326 -0.00692100123800598
PM64.0159T71 64.0158774629102 64.0020784991177 64.0295742358744 71.4949153081796 67.6380432508812 73.9728449717285 30 3 27 [2][M]- 166 0.0320117461832363 0.0232582638833211
PM65.0192T322 65.0191993163889 65.019171911959 65.0192242518461 322.011837879375 303.73883871476 347.757001353444 39 6 33 [1][M+1]- 8 -0.0162508934874903 -0.00822179212683447
PM65.0192T71 65.0192097770756 65.0191745064462 65.0192347559098 71.1825750294259 67.6380432508812 73.9728449717285 22 3 19 [2][M+1]- 166 0.0209375803320092 0.0257653092537973
PM65.0605T854 65.0605021066923 65.0604584712513 65.0605302448169 853.622756000014 851.239954528327 855.30642070025 42 6 36 4 0.0543609882416988 -0.00695481256186887
PM66.0683T748 66.068312412181 66.0681984785475 66.068335613669 747.877219728808 724.237829196182 752.818350290053 43 6 36 6 0.0584867620237074 -0.0123740335155075
PM69.0336T402 69.0335874731286 69.0335355795789 69.0338091318184 401.949760673994 391.643883587359 419.787616067709 42 6 36 [M-H-H20]- 88.0523 12 0.000316381716064739 0.0545658381605183
PM69.0448T284 69.0448255436776 69.0447869818636 69.0448505657494 283.728855016502 248.530240117923 333.064086502469 33 3 30 25 -0.030898891317677 0.0417375048496894
PM70.0288T674 70.0288111270199 70.0287774969301 70.0288522591239 673.855295476991 666.262372849839 677.080183372129 15 3 12 [M+Cl]- 35.0594 [M-H]- 71.0361 43 0.0565138005713393 0.0083799625799253
PM70.0652T454 70.0652118282021 70.065171790553 70.0652400650796 454.323944169882 452.153480408326 458.734298585503 42 6 36 [3][M]- [M+Cl]- 35.0958 [M-H]- 71.0725 124 0.0142074180271394 0.0323456116545667
PM70.0652T854 70.0652030887819 70.0651541621238 70.0652306557687 853.864129819307 851.383117313941 855.30642070025 40 6 34 4 0.0547017018575661 -0.00169650755033441
PM71.0685T457 71.0685458735414 71.0684911836948 71.0686742429538 456.571742494902 452.898241495009 458.734298585503 19 0 19 [3][M+1]- 124 0.0113122923537708 0.0336450105757788
PM72.0808T748 72.0808318911997 72.0557091944054 72.0808828494203 747.783822162075 724.525338792825 751.830689808761 37 6 31 [M-H-COCH2]- 115.108 6 0.0578699720547366 -0.0156924609262165
PM72.0808T421 72.0808452166067 72.0808127132098 72.0808822199762 420.846942569535 349.128537804296 437.4886769661 44 6 36 [4][M]- 24 -0.018979783688937 0.0604657572722217
PM73.0842T421 73.084172515719 73.0839048768387 73.0842274988564 420.920939266513 418.452954390657 437.4886769661 42 6 36 [4][M+1]- 24 -0.0194759830382718 0.0587206652904023
PM73.0649T322 73.0648648596205 73.0648288502539 73.0649566929148 322.26478417714 303.958424541074 335.830404532344 21 2 19 140 0.00470171886534609 0.0739438125044838
PM73.063T852 73.0629741614692 73.0628746810074 73.0631217751704 852.231414887092 851.692004352229 854.374444618064 16 3 13 [M-H-C4H8]- 130.123 4 0.0573074811427187 -0.00195528483483961
PM73.0842T746 73.0841594839699 73.0837943150657 73.0842116945268 745.585636081108 744.562467257894 749.002171164123 14 3 11 [M+Cl]- 38.1181 95 0.0599301504359552 -0.00353686029523022
PM74.0237T733 74.0236754562122 74.0235529709959 74.023729393091 733.012181322528 662.911365946474 737.203145489946 55 6 32 157 0.0577978362480689 -0.00521355962949166
PM74.0601T598 74.0601190348419 74.0600695648705 74.0601915787361 597.857293445208 594.69373885293 601.156242003001 42 6 36 [5][M]- [M+Cl]- 39.0907 16 0.0279980108517734 0.085321008192344
PM74.0965T66 74.0964655253602 74.0964165711514 74.0965059990541 65.7870543990021 64.1286950696732 158.320407179716 24 3 17 [6][M]- [M+Cl]- 39.1282 7 0.0411400185438336 -0.00798726998101483
PM75.0635T596 75.0634756168358 75.0633774605355 75.0635448241631 596.394195961009 594.094656679159 601.156242003001 25 3 22 [5][M+1]- 161 0.0239248771412616 0.0886426925468786
PM75.0735T745 75.073498441381 75.0732216301712 75.0735250970577 745.426854443224 744.888788182172 748.718259910391 10 3 7 [M-2H+K]- 38.1181 [M-H]- 76.0822 95 0.0585980946289094 -0.0108758894396442
PM75.0998T65 75.0998395207858 75.09977437091 75.0998701600803 64.5126177550257 63.1719551083711 66.8005886313842 10 3 7 [6][M+1]- 7 0.0369773408858971 -0.015305608464864
PM76.0393T595 76.0393057276606 76.0392545828932 76.0393673110884 594.932599331212 590.062324374407 599.812477629257 42 6 36 [M-2H+K]- 39.0907 16 0.000996989757739439 -0.0564832091849796
PM76.0757T288 76.0757435090328 76.0756900150818 76.0757737336612 288.449006076519 269.578459792829 339.469835587258 36 6 30 220 0.00888767776990459 0.0586455712814875
PM77.0427T595 77.0426575258346 77.0426196738897 77.0426788835354 594.805498202783 591.264469714518 599.812477629257 22 3 19 [5][M+2]- 16 8.51556090682724e-05 -0.0555476080155772
PM81.0447T146 81.0447480081308 81.0446393984109 81.0447937637516 145.917648149097 55.775194273334 168.460630117066 47 6 36 [M-H+Cl]2- 128.128 [M-2H]2- 164.105 54 -0.024779532091252 -0.0199304756595952
PM80.948T823 80.9479605918487 80.9479004663598 80.9479832826888 822.791911551393 818.926879492896 824.448481224112 33 3 30 87 -0.0108796241229746 -0.0386512345402274
PM82.945T822 82.9449942036037 82.9449207761327 82.9450272268373 822.48043342199 818.620691672903 824.077721908038 24 3 21 87 -0.0126600925480095 -0.0462070997847266
PM84.0444T639 84.0443611190827 84.0442996499357 84.0443992603774 639.116785306695 625.929620404143 679.293855549138 68 6 36 [7][M]- [M+Cl]- 49.0749 [M-H]- 85.0516 [M-H-HCOOH]- 131.057 1 0.0341529876473233 0.0693515979497891
PM84.0808T67 84.0807887691669 84.0807421117553 84.0808226409559 67.3177191637889 60.8964474597148 69.2056872885508 42 6 36 136 0.0380083755350068 0.012773369639047
PM85.0477T638 85.0477026197278 85.0476179723986 85.0481673994574 637.772970093307 627.527436315464 675.572200873591 56 6 36 [7][M+1]- 1 0.0435189796846368 0.0396933247693823
PM85.0284T733 85.0284018689302 85.0283468576954 85.0284360345747 732.772262546489 730.825685878214 734.333012153648 42 6 36 [M-H-COCH2]- 128.047 15 -0.00687684556667316 0.0158035664442978
PM85.0284T478 85.0283802413178 85.028328847375 85.0284246736807 478.075822340558 472.462285441707 480.775653029174 40 5 35 [M-H-CH2]- 100.051 60 0.0357562231629051 0.070194577587374
PM85.0765T65 85.0765140767923 85.076005050881 85.0836966708985 65.167204488473 63.1483766498492 68.2717680025791 42 6 36 [M-H]- 86.0856 7 0.0376971512879277 -0.0463492873959905
PM85.076T162 85.076036415998 85.0759828160863 85.0760944178653 161.51086826424 157.144914959411 179.180991502327 42 6 36 214 0.0446118525816365 -0.0403968118734585
PM85.5737T854 85.5736625603272 85.573612239717 85.5736926254713 853.712757427909 851.383117313941 855.30642070025 38 6 32 4 0.0518365543288469 -0.00998295338843669
PM86.0964T391 86.0964041619018 86.0600179633678 86.096469765913 390.692221601461 315.258865818635 409.734235277273 51 6 36 [M+Cl]- 51.127 [M-H]- 87.1037 3 -0.0158465830875657 0.0864764441826069
PM86.5815T748 86.5814979548175 86.5814624753721 86.5815214284019 747.830520945442 724.525338792825 751.644789971212 36 6 30 6 0.0586679753906511 -0.0114978618890258
PM87.0553T668 87.0553011222594 87.0552493720793 87.0553357932768 667.64354276644 661.759161252434 675.862266729598 42 6 36 128 0.0569125565738646 0.00920893003687709
PM87.0441T402 87.0440659390699 87.0440160465384 87.0441043004442 401.949760673994 391.643883587359 419.787616067709 42 6 36 [M-H]- 88.0523 12 0.000556469580970351 0.0588771541554471
PM88.0393T735 88.0393183908424 88.0392587518333 88.0393562938871 735.114767453232 683.719545469161 737.734997544602 69 6 33 [M+Cl]- 53.0699 [M-H]- 89.0466 20 0.0586158016218094 -0.0136319884415265
PM88.0631T854 88.0631317590858 88.0630748492037 88.0631719001869 853.780570077324 851.383117313941 855.30642070025 39 6 33 4 0.0502263772246708 -0.00554489174103322
PM88.1121T64 88.112076111701 88.1120199152797 88.1121113429468 63.7290257602653 61.73071353459 156.462433156948 44 6 32 [M-H-C2H4]- 117.149 7 0.0504098213902539 -0.00951503830622342
PM88.0757T283 88.0756595980737 88.0755769561189 88.075726766702 283.060732172368 244.673718452874 331.467850170241 42 6 36 [8][M]- 25 0.027850452429758 -0.039654448653616
PM89.079T286 89.079005635809 89.0709457862893 89.0790874882078 285.95675384203 244.673718452874 339.407193915327 50 6 36 [8][M+1]- 25 0.0282998889977127 -0.0396906432212331
PM89.1074T849 89.1073664417206 89.1072963941765 89.1074080519195 849.409691478311 803.880157186464 852.248737668263 34 6 28 92 0.0540493534902984 -0.0109720428412487
PM89.1154T63 89.115384504517 89.115265386815 89.1154242504809 62.7817489179474 61.0811535305271 64.1848735002255 18 4 14 80 0.0504954534692522 -0.0090131648655689
PM89.0686T556 89.0685604769516 89.0685324356044 89.0686010662081 555.53586868298 547.346765810857 556.810673002566 17 3 14 256 -0.022521708761392 -0.0297673011145862
PM90.0549T524 90.0548818565871 90.0548441147567 90.0550157785058 524.186140677905 520.43482507791 555.859355902918 43 6 36 [9][M]- 13 -0.00834610989137569 0.0295034122691788
PM90.055T426 90.0549741004361 90.0549279656231 90.0550326045684 425.712352778439 422.766992906202 435.792166266563 25 6 19 149 0.0229079248898558 -0.0623059304415763
PM90.0914T322 90.0913785193314 90.0908988586943 90.0914409629033 321.960559386979 302.837749584752 336.62011595909 42 6 36 8 0.00268310913096459 0.0802675130437289
PM90.9767T322 90.976665081516 90.9766152458515 90.9767061389818 321.510089880254 295.854638691344 347.757001353444 42 6 36 [M+Cl]- 56.0073 [M-H]- 91.9839 8 0.0171724173749168 -0.0383175490793965
PM91.0582T524 91.058235258037 91.0581999452958 91.058281358797 524.088475606061 520.43482507791 527.296551950635 42 6 36 [9][M+1]- 13 -0.00845905634838329 0.0311508778706506
PM94.0451T301 94.0450715102327 94.0450101091887 94.0451219149251 300.782931584811 276.105327181038 334.676832816695 42 6 36 29 -0.0490158809251663 -0.0220524926348738
PM95.0438T311 95.0438465377156 95.0438008404604 95.0438860680548 311.164730303844 293.076559670551 334.676832816695 27 3 24 57 -0.0489781347527912 -0.0211129285029991
PM95.0604T147 95.0603798816658 95.0603211279476 95.0604233567409 147.388384852003 137.565531807235 168.460630117066 35 4 31 54 -0.0255371530237853 -0.0162052190270129
PM95.0834T690 95.0834080873698 95.0833812604896 95.0834760381674 689.856244108151 686.948076937114 691.853486770586 8 3 5 61 0.0565399857891872 -0.00808741232810443
PM96.0444T235 96.044388921758 96.044345378144 96.0444405133368 234.70251068065 225.010499665674 266.622212186551 21 3 18 112 0.0595195992592515 0.00169434649230495
PM97.0284T478 97.0283966931816 97.0283691938063 97.0284548895472 478.383454093852 473.478845883986 480.952498396084 18 3 15 60 0.0405941788390626 0.0663093924593085
PM97.0284T734 97.0284403629283 97.0283495093529 97.0760902943519 733.995387477452 731.419691812498 745.850571864768 42 6 36 15 0.0220413042438508 0.00583092169847309
PM98.0601T421 98.0601319608394 98.0599799400007 98.0606386943925 420.60419052074 409.225866669286 435.792166266563 22 3 19 24 0.0363859055626901 -0.0375579584751874
PM98.9841T906 98.984144244277 98.9840409906205 98.9842020125982 905.707817706697 903.987753913188 906.628350738598 42 6 36 [M-2H]2- 199.985 14 0.0583986475214948 -0.00383391814369504
PM99.0441T478 99.0441039413391 99.0440445248042 99.0441453898913 478.310454259187 472.462285441707 480.952498396084 21 3 18 [M-H]- 100.051 60 -0.0351312678700649 -0.0180750728056014
PM99.0917T157 99.0916912763149 99.0552613616845 99.0917853346814 156.940040050321 142.01598941774 168.460630117066 41 6 35 84 0.0525828739733422 -0.0253756661553002
PM99.0917T63 99.0917101976864 99.0916449507506 99.0917483488858 63.1729339214043 59.6673267895667 67.3545540933707 38 6 32 259 0.0534150232353322 -0.0370469778883391
PM100.075T449 100.075025687119 100.074896669613 100.112157407518 449.073909892071 361.960339190836 453.30454974441 19 3 12 18 0.0483308291092378 0.0203984852226451
PM101.071T631 101.070962272306 101.05980469312 101.071004629609 630.958473501243 609.562916735008 661.668067027681 30 3 21 [M-H+Cl]2- 168.18 [M-2H]2- 204.157 45 0.0448426748657548 0.0507641435849933
PM100.9884T906 100.988395711789 100.988342365684 101.107428523722 905.573348845855 860.815778418292 906.393271075313 24 3 18 14 0.0582287612434487 -0.00614463407566302
PM101.1074T66 101.107404273206 101.1072557969 101.107423736437 65.5868880793155 64.3584596785607 67.7295182208533 13 3 10 [M-H-CH3]- 117.149 7 0.0455368692242579 -0.0404026079841619
PM102.055T598 102.054983511375 102.054917870469 102.055013940076 597.617158273643 594.05142167802 601.156242003001 42 6 36 16 0.02741226581382 0.0854349226420989
PM102.055T668 102.054964810095 102.054904905337 102.055027889001 667.754522771945 652.751013261636 676.382967852961 39 6 33 [M+Cl]- 67.0856 [M-H]- 103.062 5 0.0589616388834444 -0.0184413086046014
PM102.055T769 102.054994072527 102.033817071403 102.055580268147 769.066973539175 745.359585061276 854.668719270864 41 5 29 40 0.0206765428676144 0.0904443387059849
PM102.1278T64 102.12781742922 102.127742173901 102.127865318343 64.4324194472357 62.1748319442385 66.3736624687025 42 6 36 [10][M]- [M-H-CH2]- 117.149 7 0.0433753393504781 -0.0012765699772089
PM102.0679T166 102.067925429301 102.067554887485 102.068615888985 166.485074861732 163.29628760783 185.017739217305 7 3 4 48 0.0157918002782578 -0.0179670544485665
PM103.1312T65 103.131157010466 103.057652289143 103.131229041403 64.5614093134123 62.1748319442385 67.9454606159015 41 6 35 [10][M+1]- 7 0.0272920207026003 0.0760104512676791
PM103.0866T328 103.086610159628 103.057479070827 103.086685922687 328.008169006198 230.782997621113 355.967390061177 48 5 30 56 0.00142917645844731 0.105992343455876
PM104.107T66 104.106969370531 104.106858235817 104.107021903524 65.7650889635583 63.2605058555364 67.3545540933707 42 6 36 7 0.0574507189990156 -0.014195253545853
PM104.0706T401 104.07057219124 104.070517389765 104.089992622007 400.850921204904 327.349217105979 419.787616067709 44 6 36 [11][M]- [M-H+NH3]- 88.0523 12 -0.00160594880984328 0.0622785334693669
PM105.0424T319 105.042370964074 105.042307596108 105.042414281217 318.625922485124 293.539779470224 347.757001353444 41 6 35 [M-H-CH4]- 122.074 8 -0.0272729915525305 -0.00642708368797894
PM105.0739T402 105.073913449601 105.073853333884 105.073971008546 401.710272523915 391.643883587359 419.787616067709 42 6 36 [11][M+1]- 12 -0.00168967090288876 0.0624453681578473
PM105.0423T72 105.042323638724 105.042209504747 105.110229599146 71.5617705503057 66.4569085127684 73.3486273589211 42 6 36 21 0.0254799794180066 0.0255095358131015
PM106.0499T697 106.049889055268 106.049792224198 106.049952496518 696.76641264828 691.770677668553 698.4005593762 42 6 36 [12][M]- 11 0.0568153635033172 -0.0332860717888923
PM106.1107T66 106.110736344385 106.110636138663 106.110988423049 66.4569085127684 64.8183823613382 67.3545540933707 15 3 12 [M-H+NaCOOH]- 39.1282 7 0.0575914891023276 -0.013556836607875
PM107.0532T697 107.053219716159 107.053107562905 107.053281588916 696.764219934938 691.770677668553 698.4005593762 41 6 35 [12][M+1]- 11 0.0568229883449484 -0.0331336546270413
PM106.9506T318 106.950611817569 106.950536279087 106.950653440703 317.510143247929 291.466249999267 346.336684196675 40 6 34 138 -0.00145750339324269 -0.0175770319906533
PM107.0604T149 107.060401447397 107.060373301846 107.0604502632 148.738371207738 146.28404323491 166.183621846597 16 3 13 54 -0.0234906682120903 -0.00416339168896241
PM108.0541T697 108.054058239735 107.966842084605 108.0541663965 696.7299306702 612.083510419585 698.252697412995 33 6 26 [12][M+2]- 11 0.056468438511047 -0.028365658901361
PM107.9668T346 107.966801091969 107.966771391429 107.966823111043 346.263640500102 344.097558202095 349.150550533076 9 3 6 241 0.0523290919094927 -0.0233946073058753
PM109.0285T733 109.02845652658 109.022363145348 109.028501416035 733.208845660075 731.419691812498 745.949114727421 34 4 30 [M-H]- 110.038 [M-H-H20]- 128.047 15 0.0132407604463082 0.0246876006115262
PM110.0201T393 110.020071179974 110.020031466668 110.020093688778 393.08649105174 354.25328027869 394.372540425783 10 3 7 3 -0.0274225517895492 0.0334548171034572
PM110.0713T868 110.07132881711 110.071231922197 110.071379905985 867.935393028983 866.083461083369 869.858483530207 42 6 36 [M+Cl]- 75.1019 [M-H]- 111.079 30 0.0311072382780343 0.0754297763080871
PM111.0554T352 111.055375027649 111.020198849032 111.11713392928 351.739563470375 323.826998296538 393.746322912788 26 3 23 17 0.0177484250071575 0.0238827378869157
PM111.0669T526 111.066882233528 111.066618715782 111.068211461381 525.627131278444 522.445905738419 530.968973938874 15 3 12 155 -0.0483201387058938 -0.0303337781013373
PM112.0506T559 112.050591326424 112.0505313252 112.050638363062 558.976451590402 555.645754228306 561.26016338687 36 5 31 49 0.0267982771662482 0.0812767524842076
PM112.0179T354 112.017942710434 112.017913402035 112.017971952709 354.465605206369 350.262056745755 355.308156550506 4 3 1 73 -0.0246450276513397 0.0749239015856199
PM112.087T854 112.086998375726 112.086911555501 112.08704077073 853.712757427909 851.239954528327 855.30642070025 42 6 36 [13][M]- [M-H-NH3]- 130.123 4 0.0566881613963482 0.00018503971706567
PM113.0345T346 113.034523864225 113.02118376166 113.107463248569 346.164817874787 183.550178183438 378.698877045066 66 6 32 65 -0.010333083247197 0.0909598740508156
PM113.0903T854 113.09032147602 113.090205076597 113.090695531593 853.514870581485 851.383117313941 855.1382689568 37 5 32 [13][M+1]- 4 0.0567949621073945 -0.00111248465733353
PM113.071T710 113.07099594585 113.069225755893 113.071068182404 709.711334306378 708.566885430239 713.466875386932 33 6 27 [M-H-HCOOH]- 160.084 19 0.0529503357814176 -0.0405140676285464
PM114.055T709 114.05499138696 114.054946150593 114.055040947609 708.93373689287 708.138107154336 709.20151147898 9 3 6 19 0.0547282753021624 -0.0316032038232171
PM114.0913T63 114.091309821255 114.091263976027 114.091413488009 62.941128608639 58.7408775305271 65.7259426820481 14 5 9 260 0.0479390154642565 -0.0188624232631093
PM114.1026T747 114.102632997682 114.102571692997 114.102679634929 747.063950131539 710.599915795033 754.818465568611 48 6 36 [14][M]- [M-H]- 115.108 6 0.0598027613937574 -0.00599968608036961
PM115.0502T618 115.050230730354 115.050059236424 115.050320817979 617.651411926417 616.20569828523 677.080183372129 26 3 18 111 -0.012735644012952 0.0615984178655736
PM115.0866T897 115.086576501945 115.085273807243 115.086670519738 897.299789635747 895.580233447704 901.322838153692 36 6 30 [M-H-H20]- 134.106 47 0.0281029033572036 -0.0465567815751384
PM115.0866T418 115.08664815127 115.083339366046 115.086740815773 417.997247466225 409.225866669286 445.428318325301 35 6 29 176 0.0469199180396169 -0.033904085305054
PM115.1059T747 115.10594462673 115.105890156082 115.105992450619 747.063950131539 726.340124339073 751.496980237035 38 6 32 [14][M+1]- 6 0.0597356688864389 -0.00516490858030826
PM116.0343T672 116.034275330871 116.034198743494 116.034328802782 671.712362190854 661.759161252434 735.75433116665 51 6 36 [M+Cl+HCOOH]- 35.0594 [M-H+HCOOH]- 71.0361 43 0.057760466001284 0.0087418293607892
PM116.0819T334 116.081919663429 116.081849453344 116.081992543039 333.942137914413 327.734389223016 350.453834459919 38 6 32 94 0.0562403587362969 -0.0173918868406107
PM116.1434T66 116.143446284431 116.143375292485 116.14348745588 65.5868880793155 63.1764062660207 67.3858763582455 25 5 20 [M-H]- 117.149 7 0.0192943207302663 0.0194097860831664
PM116.0706T454 116.070593566091 116.070481123724 116.070663038992 454.323944169882 452.153480408326 458.734298585503 42 6 36 [15][M]- [M+Cl+HCOOH]- 35.0958 [M-H+HCOOH]- 71.0725 124 0.0165732683497211 0.0325056007639655
PM117.0739T454 117.073918812883 117.073765355926 117.073984393285 454.076056024867 452.045779107518 458.13130580993 42 6 36 [15][M+1]- 124 0.0162710074290259 0.0325298591482737
PM118.0862T425 118.086202577334 118.066856360632 118.086292896044 425.097558156978 329.05335351887 457.882476980413 70 6 36 9 -0.0185699299165802 0.0584953499496992
PM118.1227T64 118.1227197441 118.122615166959 118.122762618292 63.9581100419014 61.7593664552239 66.3736624687025 32 6 26 7 0.0461234716575933 -0.0222558512116478
PM118.1227T160 118.122709436462 118.122668287035 118.122764457897 160.239730470422 157.144914959411 179.180991502327 11 5 6 84 0.0400619942540561 -0.0179358193984786
PM119.0526T339 119.052577675984 119.035296858992 119.052663876018 338.95857028925 323.692175206636 367.575778927872 34 6 28 37 0.0338163592498266 0.0719316553918548
PM119.0896T421 119.089574349145 119.089500908655 119.089625614754 420.979414559632 418.452954390657 437.4886769661 42 6 36 24 -0.018604298908974 0.0579057020559328
PM120.0655T598 120.065516216906 120.065454098677 120.06558678691 597.617158273643 594.69373885293 601.156242003001 42 6 36 [16][M]- [M+Cl+HCOOH]- 39.0907 16 0.0246226089682394 0.0817292611403449
PM120.102T164 120.1019843774 120.101908301699 120.102058466354 164.071129208491 159.700848724165 171.334959737304 18 5 13 214 0.0230512147522194 0.017934784439761
PM120.0808T408 120.080832860161 120.080765745643 120.081119888323 407.99641787277 402.99888222872 415.59755277266 42 6 36 [17][M]- [M+Cl]- 85.1114 [M-H]- 121.088 10 -0.0168132171328941 0.0602383210007859
PM121.0649T326 121.064869667795 121.064643119643 121.064917589544 326.093475744131 319.643268776969 335.028242800751 42 6 36 [M-H]- 122.074 8 -0.000769118617113707 0.100065121964861
PM121.0688T598 121.068843855385 121.0687982626 121.068906379095 597.617158273643 594.69373885293 601.156242003001 42 6 36 [16][M+1]- 16 0.0243730558236198 0.0813827751815643
PM121.0842T408 121.084175542757 121.084136796937 121.084282686597 408.418669578568 402.99888222872 415.59755277266 31 3 28 [17][M+1]- 10 -0.0181670502213141 0.0604174654896173
PM122.0662T328 122.066239657009 122.063535119203 122.096491705576 328.294358783985 256.256048547601 408.470005363743 26 3 20 23 0.0361310591224771 0.0555210066158324
PM123.0404T313 123.040406932133 123.040301823554 123.055532393552 312.564515885453 276.105327181038 353.410831546567 64 6 36 226 -0.05489918523389 -0.00840312735475268
PM124.0394T346 124.039350582459 123.940148712256 124.039428574324 345.785256940695 309.683170892195 363.676440034941 51 6 36 242 -0.0245303811776977 -0.0214857356189839
PM124.0393T606 124.039346936563 124.039298958694 124.039389637886 606.311521329175 522.31502082092 612.032080547561 22 4 15 [M-H-C5H8O4]- 257.088 41 0.0585170135167834 -0.0154421666346967
PM124.0394T164 124.03937869156 124.039266483076 124.087146067186 163.709299271585 153.233844907137 189.746740337843 42 6 36 [18][M]- 215 0.0558726888642321 -0.0365483866144929
PM125.0234T501 125.023379586083 125.023351893732 125.02343822701 500.870449070136 498.961735810485 503.365580366947 11 3 8 58 0.0474307664328685 -0.0223626671822352
PM125.0707T423 125.070736975374 125.070342970231 125.071054196225 422.729713507671 375.918620495203 438.245130822521 16 3 12 150 -0.0128613737752223 -0.0690231051530674
PM125.0427T162 125.042658256811 125.042582191026 125.082294386687 161.603979217577 160.684798761077 179.009415918622 13 3 10 [18][M+1]- 215 0.0543290720376127 -0.0375021831222253
PM126.0627T332 126.062682446259 126.054975250499 126.102665401121 331.591805380974 166.843950558574 338.197709941853 47 3 31 169 -0.0108881958427315 0.0296804596482734
PM127.0391T733 127.039055674796 127.038972094048 127.039094151297 732.713879133422 731.549435440844 735.214397707444 42 6 36 [M-H]- 128.047 15 -0.00404104598584278 0.0203810424554319
PM127.039T479 127.03904517266 127.038965441653 127.03910501857 478.908976205965 473.478845883986 480.952498396084 40 5 35 60 0.0342539162354609 0.0756011292845643
PM127.0979T300 127.097911391486 127.097787821085 127.123084259455 300.280137689555 269.175090261486 358.909361537709 54 6 36 186 0.00229176644266968 0.0863835408888149
PM128.0707T402 128.07071672638 128.070618617271 128.08202311493 402.227959003566 375.32616315564 419.787616067709 45 6 36 12 0.0100325103086704 0.0542057799749364
PM128.1071T285 128.107099949565 128.081849302899 128.143507028175 285.189766771168 165.879516324274 317.26535828686 33 3 23 180 0.0357473857200139 0.0513093392679878
PM128.1183T579 128.118276571258 128.070666509445 128.118361128016 579.007638479986 575.425325726508 668.686878978024 18 3 12 120 0.0596420548838271 0.00344808870500941
PM129.0547T473 129.054742347971 129.054662804022 129.054805931607 473.087565940011 470.76228320137 526.305256844085 28 6 22 116 0.0398922152251649 -0.0459970504739457
PM129.1136T854 129.113593701912 129.108805867111 129.113693110109 854.026676719249 851.383117313941 856.532447383067 40 6 34 [M-H]- 130.123 4 0.0448675106978628 0.0139191424196682
PM129.0658T639 129.0657853271 129.065645293152 129.065898373501 638.634926080542 629.800991162317 664.738008344657 29 2 26 [M-H-H20]- 148.084 1 0.0451970256040963 0.0360138874537559
PM129.1023T307 129.102293431402 129.102243644523 129.102388860044 306.737242726535 267.883969715128 333.797923462145 21 4 17 90 0.0260322749962932 -0.0151440427487246
PM129.1024T63 129.102363635016 129.102312190589 129.102431018403 62.7787763414793 62.0572782652227 64.0332896845462 8 3 5 261 0.0484028655565512 -0.0223363696723011
PM129.0659T416 129.065947838823 129.065859356039 129.066044657178 415.863706245984 413.736638930801 445.202615433022 42 6 36 101 0.0423585042089654 0.0417483947168273
PM130.0499T638 130.049869313725 130.049812084278 130.049961311803 638.05886962675 625.929620404143 669.187517910486 56 6 36 [19][M]- [M+Cl+HCOOH]- 49.0749 [M-H+HCOOH]- 85.0516 [M-H]- 131.057 [M-H-NH3]- 148.084 1 0.0283415467096679 0.0690700947561019
PM130.0943T855 130.094300548761 130.086367372695 130.0965121145 855.130379330529 852.767456521006 861.711495792021 41 6 35 126 0.0126114247624255 0.0814840130753348
PM130.0863T412 130.08634806867 130.086302022572 130.08642339681 412.147868481239 409.565071209122 429.301854364898 39 6 33 46 0.00498086797827461 -0.0165318530717899
PM130.0652T287 130.065229002991 130.065172233921 130.097605499299 287.187393972194 252.418561624093 337.851942784943 45 6 36 [20][M]- 52 0.0141740180061662 0.063597516552851
PM130.1591T69 130.159054262911 130.15898870502 130.159116545373 68.5285072577367 67.0491631918635 69.9780948655416 12 3 9 168 -0.00925495272949837 -0.00574447487877382
PM131.0532T639 131.053225877369 131.033944379666 131.053278924092 638.541859565458 625.929620404143 674.232248631433 58 6 36 [19][M+1]- 1 0.0289800280575943 0.0679989757618232
PM131.0816T524 131.081554455713 131.034020748679 131.089659113021 524.085314834011 412.442354812539 527.296551950635 44 6 36 13 -0.00463227350384321 0.0367119436731465
PM131.1292T746 131.129178142733 131.12912009667 131.129219460992 745.835638170776 727.176241775396 752.271136908403 41 6 35 [21][M]- [M-H+NH3]- 115.108 6 0.051665530286389 -0.0187776184197949
PM131.0686T287 131.068557049324 131.068506286798 131.118016874705 286.587546113217 273.206073794147 322.400155102554 31 3 28 [20][M+1]- 52 -0.0272281422420609 0.0330821576579286
PM132.0539T637 132.053868493448 132.04787392768 132.053967676204 636.783731144454 626.880626853984 706.024968103733 46 6 36 [19][M+2]- 1 0.0419207967867924 0.0460551825524224
PM132.0405T312 132.040469081742 132.003293368362 132.040573620107 311.6312931073 293.076559670551 341.683550061717 26 3 23 227 -0.0540758648508724 -0.00760108353974631
PM132.1019T390 132.10194570526 132.101767866877 132.113281375015 390.183646780617 366.461255372959 445.428318325301 58 6 36 [22][M]- [M+Cl+HCOOH]- 51.127 [M-H+HCOOH]- 87.1037 3 -0.0177253791028321 0.0805797262978298
PM132.1325T746 132.132545079388 132.132490660084 132.132583061083 745.828963473715 729.692184527862 752.271136908403 33 6 27 [21][M+1]- 6 0.0574787105588986 -0.00359872202488688
PM132.0656T605 132.065599832549 132.065564022338 132.065662839645 604.700834975353 603.767420420663 611.297471179213 17 3 14 196 0.0530902294516521 0.00644768637817164
PM133.0319T442 133.031933396475 133.031886327279 133.032006129787 442.2943589489 436.77468684351 443.3786379934 22 3 19 [M+Cl]- 98.0625 [M-H]- 134.039 33 0.0051026341760367 0.00347667256094672
PM133.0608T668 133.060754329566 133.060675644352 133.060806059652 667.64354276644 661.759161252434 675.862266729598 42 6 36 [23][M]- 131 0.0557002305397673 0.0093517814213627
PM133.0972T898 133.097248613171 133.097194791349 133.097316076636 897.636999104118 895.825880466013 901.322838153692 36 6 30 [24][M]- [M-H]- 134.106 47 0.0255969178998096 -0.0504133837317909
PM133.1052T389 133.105220404319 133.10508498755 133.105314185335 389.255686952925 366.461255372959 397.195034241786 42 6 36 [22][M+1]- 3 -0.0175253852995718 0.0815061757544958
PM134.0448T736 134.044842716189 134.044760328476 134.044897417642 735.778198352341 733.198999114531 737.048052083429 42 6 36 [25][M]- [M+Cl+HCOOH]- 53.0699 [M-H+HCOOH]- 89.0466 20 0.0589434926642886 -0.0175287805052162
PM134.0641T667 134.064082508406 134.064000363465 134.06413089943 667.186945786228 661.759161252434 675.862266729598 42 6 36 [23][M+1]- 129 0.0562533860052043 0.00900327988652589
PM134.0813T589 134.081263244657 134.081194540616 134.081318172713 589.110103053308 584.30589569496 593.273828339241 42 6 36 [26][M]- 35 0.0350148146839983 -0.0226952278520935
PM134.1176T276 134.117637502631 134.11758942905 134.117683676695 276.388224589218 244.673718452874 304.939605758579 26 4 22 71 -0.036804144035329 0.030664990594299
PM134.1005T898 134.10054394513 134.100482724351 134.100623217408 897.67763164038 896.164519120806 901.322838153692 18 4 14 [24][M+1]- 47 0.0265438846703458 -0.0499144446752097
PM135.0481T736 135.048149467639 135.048056664834 135.048222222131 735.778198352341 733.012181322528 737.533051938143 42 6 36 [25][M+1]- 20 0.0590216735832539 -0.0170994576361599
PM135.0845T588 135.084548071686 135.030176420996 135.084662291962 587.990441017763 492.122646415643 593.173055351697 37 5 30 [26][M+1]- 35 0.0366104167698234 -0.0169311729068045
PM135.0649T672 135.064922542605 135.064850603839 135.065808032383 671.839153460301 661.759161252434 678.576950756843 34 5 29 [M-H]- 136.076 43 0.0561443848380507 0.0064090280678489
PM136.0619T350 136.061888195939 136.061795839533 136.079214454523 350.404059432536 321.689022017872 377.135690406028 65 6 36 17 0.0140261078553472 0.0895050310439223
PM137.0658T361 137.065837246483 137.065163039117 137.082574209709 361.078151592574 320.941939993916 377.135690406028 47 6 36 217 0.0231331480650208 0.0893708656317151
PM138.0551T369 138.05509759287 138.05504267636 138.056407841885 368.650817077142 352.761473918321 380.240942454348 28 2 26 53 -0.0372690669061858 0.0123914034552989
PM138.0914T327 138.091419930534 138.057968913774 138.091504944592 326.52882277123 319.643268776969 366.406546371043 43 6 36 [27][M]- [M-H+NH3]- 122.074 8 -0.00336396612712118 0.097960046545563
PM139.0946T327 139.09459373423 138.995430454795 139.094847594896 326.794554226648 319.643268776969 369.674403758815 40 6 33 [27][M+1]- 8 0.00601355411072073 0.0704070592533989
PM139.0503T413 139.05031348029 138.995448217565 139.050444029428 413.204094087046 372.249045824464 420.465538027324 38 6 32 46 -0.0151653774485879 -0.0352784733292744
PM139.9147T331 139.914743894358 139.914699714597 139.914789050498 330.507444502417 323.425220749308 336.161354045034 9 3 6 170 0.0497487546064879 -0.0157466839819205
PM140.0108T906 140.01083364451 140.010764964817 140.010889970333 905.725281663778 903.987753913188 906.916058932897 42 6 36 [28][M]- 14 0.0585624519708387 -0.00105210592467898
PM140.0344T507 140.03438924865 140.034301679849 140.068401923816 507.171563189166 472.462285441707 596.120968194992 29 5 22 51 -0.00260837433885268 0.0752597388811193
PM140.0683T339 140.068283918416 140.068240664977 140.068341586246 339.247076733136 334.540307929711 346.392548010729 8 3 5 193 -0.00732795048009768 0.0147501589313692
PM141.0141T906 141.014102276856 141.014010057394 141.014172934252 906.206293606857 903.987753913188 907.850792721703 25 6 19 [28][M+1]- 14 0.058255204201464 -0.000355090622732207
PM141.066T333 141.066024093434 141.047334806935 141.06731585754 333.03545027446 293.076559670551 366.119426904966 38 4 25 267 -0.0223814314461777 -0.0288048687029393
PM141.066T532 141.065995799912 141.0311836913 141.066254087041 531.80753421487 529.324507592988 554.631800719001 16 3 13 189 0.0468083686645749 0.0501121596488576
PM141.9128T331 141.912833029575 141.912778727831 141.912870722498 330.507444502417 323.425220749308 336.161354045034 9 3 6 171 0.0496346614838879 -0.0156037005453971
PM142.0263T917 142.026284795131 142.025836796115 142.097796605042 917.400119819143 916.053418468536 920.587644685694 32 6 26 93 0.0437019415543239 0.0140104807184151
PM143.0816T414 143.081552215088 143.072775598897 143.081627951609 413.938579194385 398.053396503885 442.937309079475 45 6 36 210 0.0546307845259141 -0.0268059623227661
PM144.1384T689 144.138441074235 144.065581993213 144.138556661419 689.038028920228 604.725424191742 733.154018309234 18 4 13 61 0.0466396876941856 -0.00855220336023623
PM144.0816T432 144.081593868887 144.065624701116 144.102110652534 431.647828515583 376.376125002151 480.865619763451 33 4 25 98 0.00139627422967729 0.0859365355787998
PM144.1019T335 144.10194081333 144.101874460588 144.102011486504 334.923561731066 328.101646884105 336.118704226834 12 3 9 42 0.0489690211323183 -0.00533239333677826
PM145.0496T732 145.049624973053 145.049515499692 145.049770211012 732.288711426831 730.825685878214 734.649443416819 42 6 36 [M-H-H20]- 164.073 15 -0.00570144224437798 0.0232238747451657
PM145.0162T905 145.016221174045 145.016117380981 145.016302738722 904.978342627881 904.163524071026 906.538016718197 9 3 6 14 0.057902995140243 -0.00630131486015477
PM145.1449T606 145.144869248044 145.144801196415 145.145182167844 605.549406647447 574.443624414314 663.43219504981 40 6 33 197 0.0603599341722617 -0.0083837120931687
PM145.0496T478 145.049606172636 145.049509894429 145.084477044082 478.126835648624 438.416578441633 480.943287855162 29 3 25 [M-H+HCOOH]- 100.051 60 0.031694803502547 0.0605106194128841
PM145.1085T329 145.108522159037 145.10836275324 145.108594686491 329.257576654885 320.20139415913 347.523140813438 18 3 15 172 -0.00769515452112063 0.0349910785470135
PM145.1336T66 145.133622262058 145.104445902276 145.133757082606 66.3002356179307 62.873010827497 156.808762162047 13 4 9 7 0.0481663680828707 -0.0389293527002722
PM146.0925T376 146.092489344551 146.060063780955 146.11763677258 375.791939424891 277.875630666128 440.547415648676 54 6 36 26 0.000831343363678985 0.0959535194712795
PM146.1176T64 146.117640301459 146.063503858627 146.117695494821 64.1580500090182 60.8414672814353 159.151527046444 43 6 35 [3M-H+Cl]2- 86.0856 7 0.0520024095967875 -0.0171030887979233
PM146.0601T528 146.0600907274 146.059952766005 146.060153796832 528.080048428274 524.385030106253 533.582476284266 39 6 33 [29][M]- 187 0.0597865671460732 -0.00351419631772385
PM147.0764T637 147.07636936009 147.076295016536 147.07642948022 637.332264061354 625.929620404143 661.668067027681 50 6 36 [M-H+NH3]- 131.057 [M-H]- 148.084 1 0.0318467203936707 0.0709237035521128
PM147.1129T862 147.112898152536 147.112808026379 147.112942616237 861.924095667888 859.754536196247 863.967026691681 42 6 36 28 0.000354624999709934 0.0941843672484907
PM147.0634T528 147.063425697985 147.044125136684 147.063550520632 528.107629334868 524.903999257537 547.734428659992 28 4 24 [29][M+1]- 187 0.0164113020940267 0.0810292073875532
PM147.0474T407 147.04744174438 147.044193635184 147.063477161038 406.73985484836 396.48232156816 438.309984013648 21 5 16 151 0.00531206335651088 0.0925074321923737
PM148.0606T665 148.060584922684 148.060318755062 148.079583236358 664.710594560242 625.929620404143 676.382967852961 78 6 36 [M+Cl+HCOOH]- 67.0856 [M-H+HCOOH]- 103.062 5 0.0583236827139678 -0.020332003698402
PM148.0969T556 148.096909953118 148.060508475699 148.096972532558 556.044083324084 513.942489550036 557.606884649707 47 6 36 75 0.0573197047912425 0.00164412770012675
PM149.072T651 149.07197590201 149.06349782123 149.080392269042 650.666889684161 625.929620404143 676.382967852961 78 6 36 31 0.0592919857082367 -0.00599276483592351
PM150.02T479 150.019976644408 150.019881043186 150.054906066311 478.986287338647 476.525506697174 516.739074983902 26 4 22 238 0.0272589989083843 0.0189153469542165
PM150.0897T314 150.089732891709 150.077415603086 150.112597026822 314.247415073527 246.259489252811 334.685269095577 69 6 36 67 0.0246049977178523 0.0820162142885041
PM150.0644T667 150.064362864183 150.064265420527 150.076103592654 666.524031898933 664.707563197025 703.583943424251 14 3 10 5 0.0581007855325108 -0.0211229224553906
PM150.1125T72 150.112496381092 150.11243330391 150.112543916404 71.7432436400759 70.4224426996626 72.8738552743164 5 3 2 166 -0.030860547056733 -0.0186360420423632
PM150.0584T442 150.058378256936 150.058309206569 150.058444428972 442.482545711169 438.003810331608 446.444887950974 42 6 36 [M+Cl+NH3]- 98.0625 [M-H+NH3]- 134.039 33 0.0120511979806584 0.0150025185568864
PM151.0353T303 151.035302049209 150.997728346871 151.035365285538 303.023974855316 276.105327181038 339.91599052222 44 6 36 [M+Cl]- 116.061 29 -0.0482796637734599 -0.0172512896377817
PM151.0476T640 151.047618809734 151.047535938347 151.098081827925 639.625911036431 632.288503996717 713.611869093149 37 6 28 79 -0.0193633279265053 0.0707769805523317
PM152.0567T547 152.056747730482 152.056655465502 152.056836013319 546.762702044992 492.122646415643 554.063465342167 61 6 36 [M-H-C5H8O4]- 285.105 27 -0.00188817177418376 0.0632979619740247
PM152.0317T639 152.031658455576 152.03158382744 152.03171355893 638.984805513906 632.288503996717 645.065692191741 24 2 22 [M+Cl+NaCOOH]- 49.0749 [M-H+NaCOOH]- 85.0516 [M-2H+Na]- 131.057 1 -0.00217831625348274 0.0883407428810259
PM152.036T296 152.035967309249 152.035862537468 152.117173415334 295.70485896203 182.311172285155 330.251196476725 44 6 33 66 -0.0271941089076467 -0.0189739827160999
PM153.0329T312 153.03290996935 153.032791291639 153.041319623121 311.833276359213 276.105327181038 374.899444688326 61 6 36 228 -0.046286472100954 0.0269725851051112
PM153.0767T718 153.076731329673 153.075846754674 153.111139665162 718.391269572144 717.145746449844 745.850571864768 9 3 5 22 -0.0313606916222912 -0.0454736784953346
PM155.0427T665 155.042749839484 155.042661283573 155.042812320039 665.428495183369 656.300481795051 675.862266729598 40 6 34 130 0.0538597080022182 0.0352973522558505
PM156.0422T341 156.042219859913 156.042155842797 156.042306079334 340.999318942252 316.321864569761 394.02796492694 26 5 20 193 0.0556118585413186 -0.00600378962548811
PM156.0768T868 156.076767247786 156.076666396368 156.076829844616 867.772642643025 865.128006021922 869.150796899908 42 6 36 [30][M]- [M+Cl+HCOOH]- 75.1019 [M-H+HCOOH]- 111.079 30 0.0336805419316459 0.0760894577132294
PM157.0455T344 157.045497517277 157.045425965113 157.045541386398 344.029138307928 329.596856613754 347.757001353444 10 3 7 243 0.0566245746814452 -0.00359500291060626
PM157.08T868 157.079994778313 157.079801395015 157.080608100589 867.593477109735 865.128006021922 869.150796899908 42 6 36 [30][M+1]- 30 0.0335966276730217 0.0767925081948301
PM157.0608T673 157.060754467363 156.954117950924 157.060843490532 673.395787895206 658.764492738461 733.403328962988 33 3 20 [M-2H+Na]- 136.076 43 0.0562741143101356 0.00967421733181533
PM158.0925T854 158.092466993179 158.092345034586 158.092519799841 854.158174625856 851.239954528327 855.600606911538 42 6 36 [31][M]- 4 0.0575949688422421 0.0184182762806864
PM158.0994T321 158.099376221601 158.040275482246 158.117952151752 321.224361571675 252.166377911156 367.453558821055 58 5 30 141 0.0311355644475511 0.0512807683260891
PM159.0252T479 159.025236696061 158.964160238251 159.05140407543 478.735798878249 416.985619573307 558.451486923128 53 6 35 239 -0.00588236185819141 0.0648229079976259
PM159.0765T710 159.076469963356 159.076365592335 159.076542007689 709.608605343717 708.641466659651 713.466875386932 42 6 36 [32][M]- [M-H]- 160.084 [M-H-NH3]- 177.11 19 0.0554008636663225 -0.0321629281444255
PM159.0959T854 159.095916152178 159.09579236616 159.096051922866 854.026676719249 851.239954528327 855.30642070025 34 6 28 [31][M+1]- 4 0.0575682832045953 0.0182233417720776
PM158.9641T325 158.964130535969 158.964007663297 159.124139621375 325.267812985677 304.920923709134 347.757001353444 30 6 24 [M+Cl+NaCOOH]- 56.0073 [M-H+NaCOOH]- 91.9839 8 0.0164818258455843 0.069070684009547
PM160.0794T710 160.079423880416 160.076024567347 160.079843845878 709.971215308804 708.768059078311 719.669054000894 24 5 19 [32][M+1]- 19 0.043004395455833 -0.0190998536587801
PM160.0758T271 160.075754825564 160.075660501263 160.133337474007 271.403513484034 240.2897563006 357.908631016288 25 3 20 44 0.0325218766615353 0.0203796465601216
PM160.0759T65 160.07585539542 160.075705948758 160.076310516124 65.4178107603916 64.056355626138 68.3010402167732 19 3 16 7 0.0347891930439101 0.0366712794627211
PM161.0921T442 161.092104354455 161.06324748677 161.09224023557 442.102334595055 358.446280642889 446.444887950974 53 5 35 191 0.0324065656737747 0.0333695541219403
PM161.092T555 161.092044112325 161.091887603307 161.092165214418 555.351269752867 550.157938673749 558.473242746611 34 6 28 75 0.055470434315987 0.0397443550831172
PM161.1307T792 161.130707891526 161.080830170945 161.134481911733 792.24801046676 708.641466659651 797.541368514827 26 4 21 74 0.0566167793551426 -0.00642930382556334
PM161.0823T152 161.082301555561 161.08225905278 161.082356972374 152.040443946045 147.388384852003 172.763730242318 13 3 10 121 -0.0292710875363593 -0.0197447904495197
PM162.0762T606 162.076178140941 162.07610645255 162.07626027299 605.902027637908 604.505033967189 613.631278926275 34 4 30 198 0.0112340759913782 0.0840005713554973
PM163.0979T148 163.09789945991 163.097728659836 163.097989347805 147.666082758052 67.7789341040911 172.763730242318 39 6 33 [M+Cl]- 128.128 [M-H]- 164.105 54 -0.0315554569582494 -0.020396035000028
PM163.0755T363 163.075487246816 163.075341927903 163.075682613634 362.71976914425 289.378604154026 376.367622866652 37 6 31 50 -0.0346475459875303 -0.0124983069387606
PM163.0638T733 163.063801987053 163.06004131475 163.070091833694 732.802491195857 731.391321949622 734.300801971943 29 3 26 [M-H]- 164.073 15 0.0104042522897727 0.0226698104299143
PM164.0741T755 164.074143545239 164.074000318827 164.091978064817 754.706718103115 710.529918744872 771.171213079895 83 6 36 39 0.024314993029965 0.092811227867565
PM164.0671T311 164.067066340699 163.990368499076 164.128167158356 311.164730303844 262.018100905991 368.367005816764 53 6 36 229 -0.0479495711166987 -0.00290877312471715
PM165.0547T546 165.054706950983 165.05465822444 165.054769175855 545.894258025114 543.548211322097 547.800622189617 19 0 19 [M+Cl]- 130.085 [M-H]- 166.062 27 -0.0123802558797545 0.0906802987603507
PM164.9352T269 164.935161393372 164.935057032912 165.113837145212 269.124212331732 165.879516324274 334.676832816695 60 6 33 203 0.016258262998933 -0.055484295174581
PM165.0777T762 165.077732444738 165.077538598095 165.095228002465 762.323188045637 711.980826392962 770.894444791316 39 3 27 99 0.0245468202973524 0.0928397513736946
PM166.0532T667 166.053203092334 166.053022477894 166.053308085412 667.124749659652 660.412067330272 669.596060903172 22 3 19 5 0.0522780714182905 0.0426974992851857
PM166.0863T408 166.08625276547 166.086146139651 166.086360071551 407.956289770778 402.914045741405 415.59755277266 42 6 36 [33][M]- [M+Cl+HCOOH]- 85.1114 [M-H+HCOOH]- 121.088 10 -0.0174373604031471 0.0551492999744924
PM166.0646T311 166.0646134249 166.064528459963 166.107362227352 311.403408555299 293.076559670551 334.676832816695 20 3 17 57 -0.0528104873657428 -0.0133914393227408
PM166.072T627 166.07204080531 166.071957750545 166.072075785964 626.853062690198 625.929620404143 630.795464985051 8 3 5 247 0.0597500580017283 -0.000859339672421436
PM166.9508T184 166.950771117015 166.950700582171 166.950862806527 184.000000413241 176.536398415266 209.325811540894 42 6 36 36 -0.0292945102262819 -0.0504937225154719
PM167.0896T408 167.089617045198 167.058211687863 167.117971033918 407.735750202064 302.005569641221 415.59755277266 46 6 36 [33][M+1]- 10 -0.0174509361632087 0.0548143463818666
PM168.0454T66 168.04541409985 168.045316453759 168.045487886496 66.2008170279895 56.9513907895667 71.261630955584 28 4 24 [M-H-C4H8]- 225.115 135 0.0544071713063205 -0.0205432972955606
PM169.0358T567 169.035751827102 169.035659558908 169.035867137841 567.096044524443 564.108199725877 571.878874781341 40 6 34 91 0.051887823937842 -0.00185903160763991
PM168.9489T185 168.948904727239 168.948836902518 168.948977668977 185.451445917994 177.802074895588 192.950643312919 22 4 18 36 -0.0291727680228182 -0.0506717729564155
PM169.0584T637 169.058390716137 169.058268885597 169.096651311453 637.470721205958 607.718798038595 656.035422128253 44 6 36 [34][M]- [M-2H+Na]- 148.084 1 -0.00649107243809319 0.0876472679592635
PM170.0614T637 170.061431286428 170.048253389029 170.061706010829 636.915979761005 619.396511527192 645.065692191741 42 6 36 [34][M+1]- 1 -0.0278806992302383 0.064359066368943
PM171.0763T637 171.07633111604 171.076232434308 171.076411995635 636.818265318118 625.929620404143 661.668067027681 46 6 36 [34][M+2]- 1 0.0361238366957538 0.0686826025393698
PM172.0946T317 172.094591598287 172.077937153803 172.133398142927 316.589020575539 295.854638691344 361.38370735112 22 3 17 8 -0.0259244668835853 0.00284407578791286
PM172.9564T823 172.956397505095 172.956284286838 172.956445510381 823.130168996042 818.620691672903 825.990484561532 37 3 34 87 0.0483431086964763 -0.0158642461759972
PM173.0785T65 173.078474666896 173.078351660787 173.07854623742 65.2019322177261 61.9127958394236 69.542965294976 41 6 35 7 0.00390780264764026 0.0623239526108098
PM173.0674T301 173.067357130582 173.067214608161 173.139787338158 301.158585608327 276.105327181038 334.676832816695 44 6 36 [3M-2H]2- 116.061 29 -0.0434416394362746 0.00616923415529792
PM173.0915T666 173.091509772497 173.089550636961 173.091889288541 665.778067819076 664.035285026479 668.686878978024 12 3 9 5 0.0565136832103115 0.0187266151746725
PM174.0761T665 174.076085447686 174.075942836925 174.07622719386 664.710594560242 654.794016708617 668.184873469343 40 5 35 [M-H-H20]- 193.11 5 0.0576747202185185 0.0172008845622962
PM174.0687T327 174.068701680477 174.017706201271 174.14896411223 326.72861884878 246.259489252811 354.658122139625 48 6 36 142 0.0517022625414809 0.018663099270307
PM174.9533T823 174.95329002269 174.953173441349 174.953359344339 822.59405871845 818.620691672903 824.749542698564 25 3 22 87 0.0475870044682305 -0.020425784599294
PM174.9381T323 174.938071676975 174.937962356491 175.039064108863 323.007887568145 294.776641954897 365.095844813824 13 3 9 139 -0.0119995113073384 -0.00919419851254655
PM175.1441T742 175.144148577384 175.079201184599 175.144245543767 741.934048469339 662.960292447206 746.918282637948 51 6 33 62 0.0593016221061168 -0.00633441607460985
PM175.1078T505 175.107765455261 175.086583185126 175.10788221496 505.2953497696 500.811616137277 587.499848932419 58 6 36 51 0.022113359178047 -0.0551181826039172
PM175.1189T854 175.118851319274 175.118712249049 175.118922841439 853.97445396787 851.239954528327 855.30642070025 42 6 36 [35][M]- [M-H+HCOOH]- 130.123 4 0.0573532178970671 0.00657530831053128
PM176.1224T854 176.122350822293 176.12220540529 176.12241728177 854.026676719249 851.239954528327 855.30642070025 42 6 36 [35][M+1]- 4 0.0573701160352314 0.00662480063777223
PM176.103T710 176.103041441443 176.102926339367 176.103178845198 709.517670442524 708.641466659651 713.466875386932 42 6 36 [36][M]- [M-H+NH3]- 160.084 [M-H]- 177.11 19 0.0552954944182801 -0.0339060941247875
PM177.0619T596 177.061949777568 177.061831083533 177.087189301803 596.201164691231 555.649541115144 601.209409284154 54 6 36 159 0.0482724510294001 -0.0397338418392288
PM177.1238T854 177.123799848728 177.123665556736 177.123908249939 854.101294601864 851.239954528327 855.600606911538 42 6 36 [35][M+2]- 4 0.0574920271922253 0.00802133344109477
PM177.1065T710 177.106498345598 177.106391828868 177.106694097144 709.524825789972 708.641466659651 713.466875386932 41 6 35 [36][M+1]- 19 0.0552761099447207 -0.0342689072348761
PM178.05T532 178.049979959683 178.049903229961 178.050088981057 532.293632535383 530.113859892721 533.298621912048 13 3 10 32 0.0575717821336758 -0.0244166760598228
PM178.0355T65 178.035487237666 178.035426673999 178.035537318165 64.8016576249197 64.3777269392406 66.4206721810331 6 3 3 [M-H-C4H8]- 235.105 7 0.0508902735804535 -0.00979485128379015
PM178.1261T285 178.126122777191 178.08964913446 178.126226600766 285.078761039963 182.311172285155 389.369119541567 47 6 36 [37][M]- [M-H]- 179.133 25 0.0215347871211596 0.0827753615216084
PM178.1077T709 178.107694021807 178.107401223253 178.108911925852 708.981695359441 707.427356927427 713.611869093149 27 6 21 [36][M+2]- 19 0.0550157370964138 -0.0352715669990084
PM178.9927T440 178.992744775769 178.992490695511 179.049353345843 440.076306856795 364.866744821604 453.892187519169 40 6 31 33 -0.00935995126475709 -0.0492068920302144
PM179.1297T280 179.129712714616 179.129571980262 179.129799532644 280.2195781007 249.688743961324 319.031965661502 31 3 28 [37][M+1]- 25 -0.01768819275885 0.0843945735081234
PM180.1219T274 180.1218985808 180.101970917891 180.122021125406 274.16378529435 237.752088117123 289.378604154026 31 3 25 249 0.0193019264738798 0.0699937684675736
PM180.0327T680 180.032654871715 180.032381213834 180.086810868181 679.779005702435 674.034696067186 762.703920278071 35 6 24 104 0.0197168338502218 0.0106105160628354
PM180.0881T493 180.088068055441 180.068978195494 180.088271955728 492.518799059092 486.399869957755 564.426934962679 30 5 18 102 0.0522150757113346 0.0278780612972311
PM182.0813T546 182.081257962908 182.081115193581 182.081367629402 546.453034007817 543.548211322097 548.456808619513 39 5 34 [38][M]- [M+Cl+NH3]- 130.085 [M-H+NH3]- 166.062 27 -0.0127171401611617 0.0892691326894335
PM183.0847T545 183.08470407226 183.084556186342 183.087211139647 544.877714416245 525.804048277734 548.456808619513 19 3 16 [38][M+1]- 27 -0.0131463722893498 0.0888252775943217
PM182.9458T323 182.945750654962 182.945642589124 183.138051691355 323.461024474648 313.965866663296 382.921981710271 19 3 11 143 0.052872899204831 -0.0255973303672026
PM184.0734T838 184.073448885184 184.073289822151 184.073544427565 837.954197896911 833.733901145998 905.533193265631 46 6 36 [39][M]- [M-H]- 185.081 38 0.0522662338188965 0.000502579696607764
PM185.0324T637 185.032443821962 185.03232309727 185.032513524537 637.264598907943 628.247513452593 657.01855907766 41 6 34 [M-2H+K]- 148.084 1 0.0577233702889221 0.0112681197797359
PM185.0768T837 185.076782479445 185.076633888966 185.076879466814 836.978063297481 832.494650795808 839.940646384057 42 6 36 [39][M+1]- 38 0.0518758398424064 0.00248150689837679
PM186.0763T480 186.076316016103 186.076265284148 186.076430712825 480.379795321114 477.235849385162 482.840846365262 19 3 16 [M-H-H20]- 205.095 236 0.0352381774109849 0.0808400603674758
PM187.0353T453 187.035307393304 187.035224007261 187.035398485758 452.587113143467 448.702517943128 453.73012208616 42 6 36 2 0.0180285092485555 0.0242944368606514
PM188.0709T439 188.070850743541 188.070704411034 188.070974665033 439.409526095419 431.852840483506 440.547415648676 41 6 35 [M+Cl]- 153.101 [M-H]- 189.078 190 -0.0165410171447659 0.069291074750026
PM188.176T773 188.175968772281 188.175917370678 188.176087620584 773.426156598755 759.466024770251 782.232084336169 26 4 22 64 0.0599473917576664 -0.0120216844919483
PM189.1349T742 189.134948925536 189.134759830529 189.160086667747 741.549879308136 657.69021351195 750.444961384658 81 6 36 240 0.05826423334424 0.00873229858687923
PM189.1236T385 189.123564831935 189.087225717243 189.123736955789 384.933284740019 354.965362538733 394.372540425783 41 6 34 78 0.00733641733783607 0.0834318096208372
PM190.0128T496 190.012830525828 190.012737113234 190.050013832188 495.796114735625 439.762010319855 498.952491291451 26 3 18 233 0.00958420819934148 0.0857485228381656
PM190.1634T690 190.163394669356 190.163357837493 190.163488369398 689.856244108151 687.985784039302 691.853486770586 8 3 5 61 0.0596821713613687 -0.00188057421585248
PM190.9122T312 190.912168980282 190.912044391983 190.912283064038 311.66264741783 292.450090164164 327.149890707853 25 3 22 230 0.0568842759528686 -0.0209418026994767
PM191.0537T649 191.053742324612 191.040394020066 191.10294488947 648.876989910942 634.365648130339 688.572938736861 58 6 36 31 0.0401648635846013 -0.00535476975658985
PM192.0505T513 192.050472469017 192.010913604564 192.050594714514 513.214176912254 492.122646415643 516.151665299031 14 3 11 85 0.0564780998776334 -0.0245374736503035
PM192.1418T285 192.141818600881 192.061942147707 192.142025003952 284.801317664092 246.259489252811 334.676832816695 72 6 36 [M-H]- 193.149 179 -0.0115737476394304 0.0849073104898974
PM192.1063T666 192.106253630078 192.024472208385 192.106358171001 666.282565246793 664.035285026479 675.22708006225 18 6 12 [M-H]- 193.11 5 0.0584337055097365 0.0152607817035428
PM193.1454T294 193.145352697233 193.063443126365 193.145552633206 293.809018727704 247.388291704006 334.676832816695 59 6 35 244 0.0302707188473777 0.0676994664121151
PM193.0511T746 193.051118906956 193.05097578051 193.108326282413 745.96277729042 662.960292447206 749.907150192203 34 3 23 6 0.0549878576074407 0.0252162418011731
PM194.1177T65 194.117747020385 194.117595808249 194.117904256303 64.8174482553032 61.7593664552239 68.2717680025791 18 0 18 7 0.0100789007850766 0.0982882598846867
PM195.0326T530 195.032612230864 195.03213226392 195.032832290344 530.070061160373 524.013471206348 534.255835985817 32 6 26 [M+Cl]- 160.063 32 0.0143017499105257 -0.0569086778410866
PM195.0495T746 195.049508504499 195.049083997618 195.05004054786 746.350639308232 745.850571864768 747.200899557895 10 3 7 134 0.0537122992114347 0.0267741337896418
PM195.1226T62 195.122635391386 195.121450037879 195.123192405921 62.0230718246864 57.7042667804129 67.3545540933707 31 6 25 [M-H]- 196.13 80 0.00377032393471235 0.0834602429720843
PM196.0463T953 196.046270247996 196.046223737183 196.046440695011 952.877523100168 949.471844444106 954.035273265631 9 3 6 86 0.00781998736093373 -0.00405740221209146
PM196.0639T452 196.063936851919 196.063824252144 196.064051567371 452.234012900133 445.202615433022 453.22977071912 42 6 36 [40][M]- [M-H]- 197.071 2 0.0565030190373412 0.0222292164534523
PM197.0677T452 197.06768810912 197.067572472775 197.067820938201 452.234012900133 445.202615433022 453.22977071912 42 6 36 [40][M+1]- 2 0.0564040237154216 0.0219065353590535
PM197.101T854 197.101021457165 197.100814584291 197.101231177883 854.052135064047 852.133927109143 856.067375466791 27 5 22 [M-H+NaCOOH]- 130.123 4 0.0478729327018215 -0.00213031204843864
PM198.0434T813 198.043357703899 198.04327495261 198.043429927113 812.71595035755 806.298365692387 816.118011699681 12 3 9 77 0.0596445152047528 -0.00295756184354791
PM198.0598T452 198.059811327152 198.059687224743 198.059943196516 452.092693120454 445.202615433022 453.22977071912 42 6 36 [40][M+2]- 2 0.0563441367137972 0.0222102985176283
PM198.0854T709 198.085415100582 198.085155609094 198.08626431888 709.349517699663 706.642909267337 713.360657643063 30 5 25 [41][M]- [M-2H+Na]- 177.11 19 0.05908810812781 -0.0145063033546606
PM199.0441T598 199.044076326545 199.043959731482 199.04416654713 598.236864732535 593.803469558355 601.209409284154 25 4 21 55 0.043139563980336 -0.0351633186264415
PM199.089T708 199.088986886793 199.08885461562 199.089382837288 707.884678672344 706.46700330587 711.454423112895 18 3 15 [41][M+1]- 19 0.0591735930606838 -0.0133799132869026
PM199.063T452 199.063006637871 199.062856269007 199.063124953229 451.587715067687 442.937309079475 452.898241495009 16 3 13 [40][M+3]- 2 0.0552788687365364 0.0194722663508708
PM201.0873T404 201.087271934379 201.087124847123 201.087369439803 404.380901513413 375.596342281939 417.333430938758 23 3 20 109 0.023928880968184 0.0862474677037634
PM202.1264T64 202.126404548278 202.126200938822 202.126477899614 63.7480991924697 62.8435451520554 65.5701246491084 15 3 12 7 0.0570123860291317 -0.0192317155874914
PM203.053T479 203.05298192167 203.052883323547 203.053105799464 479.032563145501 472.462285441707 481.809451566352 23 3 20 60 0.0299004634645629 0.0804055706661566
PM203.1389T358 203.138874598051 203.13877805241 203.138973753641 358.191906330037 337.22745885903 362.941585092896 34 4 30 248 -0.00930065943629858 0.0897258751422228
PM203.103T922 203.102959813005 203.102869960367 203.103084923343 922.142129909182 920.695481232861 924.357639591617 14 3 11 115 0.0570954564138521 0.0312147428408821
PM203.15T633 203.149968500834 203.081856238615 203.150070243878 633.000417234725 536.765910437811 655.071287380083 39 5 31 [M+Cl]- 168.18 [M-H]- 204.157 45 0.0510258844599394 0.0292567085177413
PM204.0866T479 204.086554275828 204.086442605554 204.086632698712 478.913406876766 473.478845883986 480.775653029174 41 5 36 [M-H]- 205.095 236 0.0389810663487252 0.0727585694559439
PM204.0866T732 204.086555513248 204.08639915077 204.153510298947 731.758075825149 654.07854936519 734.581007652914 35 4 30 15 -0.00142800868677954 0.0218873732977109
PM205.017T370 205.016976221797 205.016918585587 205.017042674929 369.606318883834 351.807145875254 375.154455981587 11 3 8 222 -0.0236237513332976 0.0840279271246475
PM205.0824T734 205.082378951886 205.081695485247 205.11854531934 733.800446568082 655.066587053638 736.850931145351 44 6 28 15 0.0572575449719625 -8.78320509759306e-05
PM205.1291T860 205.129124287595 205.128909393226 205.129247781363 859.568361817228 857.971271595538 860.436449209603 8 3 5 185 0.0270412336028456 -0.0596323541964283
PM205.097T440 205.096997825903 205.068102402577 205.09714511495 439.957815818799 334.676832816695 529.146508161377 66 6 36 [M+Cl+NH3]- 153.101 [M-H+NH3]- 189.078 190 -0.0169710223763439 0.0640001711967353
PM206.0552T836 206.055195309238 206.055119510626 206.055276539776 835.921484800107 831.370831925938 838.902220821294 33 6 27 [M-2H+Na]- 185.081 38 0.0433483645291064 -0.00325004888674561
PM205.9615T266 205.961493586951 205.961449656598 205.961600536176 266.096273501302 255.93947114584 288.776301255943 16 3 13 [42][M]- 204 0.0584077733428191 0.0141760660661473
PM206.1022T596 206.102171749093 206.102111776709 206.102254208427 595.906467886555 592.34301926698 600.802510988652 8 3 5 159 0.0563863590334864 -0.00536030716162031
PM206.965T265 206.964972630091 206.885690298208 206.965069353723 264.991500731366 232.946219039656 272.752671834051 15 3 12 [42][M+1]- 205 -0.00452036762574674 2.34095253351865e-05
PM207.0144T640 207.01435607921 207.01411818497 207.097391354641 640.039013527572 633.584353109297 663.866279417049 40 6 34 258 0.0491737583121279 -0.0274461667381334
PM207.0651T362 207.065138368671 207.06490424266 207.11284807018 362.018787023457 314.47776803297 439.409526095419 70 6 36 218 -0.0472910395881284 0.0338795871301197
PM209.0007T733 209.000720804493 209.000611645611 209.000823160861 732.990170957344 731.097424802014 738.325839845407 28 4 24 158 0.00323136374628406 0.064434194050512
PM209.1396T268 209.139624511399 209.139511912227 209.139752341705 268.111947690788 242.478032638954 297.432486816897 41 5 36 206 0.0594527365469498 -0.0017443068810728
PM209.0009T478 209.000884690629 209.000752251813 209.092040915845 478.160672648284 439.409526095419 480.952498396084 16 3 13 60 0.00320492631029546 0.0887942913779506
PM210.0762T556 210.076174871036 210.076010625058 210.076472822749 556.414916611389 554.007377385555 560.905916845235 42 6 36 [43][M]- 255 0.0538517215942957 0.0291502456539671
PM211.0797T556 211.079680498686 211.079477088966 211.080491367164 556.355809643672 553.724186717302 560.905916845235 34 6 28 [43][M+1]- 255 0.0532505878518017 0.031201136679134
PM212.0587T530 212.058697410329 212.058603624691 212.058807753597 530.058068230391 524.953633313687 533.71064093616 39 6 33 [44][M]- [M+Cl+NH3]- 160.063 32 0.0585938063384407 -0.0214702458477938
PM213.0624T530 213.062445242402 213.062335009212 213.090575306122 529.897845476077 441.141806295225 534.255835985817 36 4 32 [44][M+1]- 32 0.0591253975195109 -0.0139060700493391
PM213.0846T665 213.084565270207 213.084404560065 213.084687475944 665.326547277363 653.093473395445 668.150583080173 30 3 27 5 0.0520814530414406 0.0433336816524054
PM213.983T823 213.982998368829 213.982858669316 213.983068269179 823.088501304681 818.620691672903 828.775471150396 40 5 35 87 0.0553340035185916 -0.00421946701222068
PM214.0589T707 214.058858289485 214.058802078641 214.05893232204 707.227493736262 705.754369489541 708.570446386225 14 3 11 [M-2H+K]- 177.11 19 0.0588427487893896 -0.0172961200913574
PM215.9795T824 215.979535633003 215.979385275788 216.062673532046 823.946571366053 818.620691672903 847.897291112328 43 6 36 263 0.0424546238168228 0.0206876770416263
PM216.0814T283 216.081385771127 216.081276824949 216.081471344855 283.325201083703 249.688743961324 324.260738907822 41 6 35 [M-2H+K]- 179.133 25 0.0440215982221469 0.0519083758946581
PM217.1042T62 217.104182566915 217.104044078137 217.104291318793 61.9408216473119 57.7042667804129 65.5701246491084 42 6 36 [M-2H+Na]- 196.13 80 0.0178968120916251 -0.00985002837729876
PM217.1287T455 217.128657500221 217.124731390597 217.154089273688 455.060233952151 381.38550026145 457.101441765725 41 6 34 125 0.0336277181561375 0.058291372880761
PM218.0452T453 218.045182208186 218.045087276638 218.045255852523 452.870979891645 446.444887950974 453.892187519169 42 6 36 [45][M]- [M-2H+Na]- 197.071 2 0.0408511133265312 0.0384531748028455
PM218.1171T63 218.117141617272 218.107624723454 218.119495840112 63.4203134757299 57.7042667804129 65.5701246491084 12 3 9 7 0.0463311600702492 -0.0339336241248892
PM219.049T453 219.04896695414 219.048863710204 219.049063707281 452.91198349863 446.444887950974 453.892187519169 42 6 36 [45][M+1]- 2 0.0403536088940985 0.0379761687993719
PM219.0971T668 219.09708747884 219.096839416139 219.170341540274 668.370758562128 657.193253726865 717.467973663185 44 6 33 97 0.0568161418259601 0.021947473506928
PM220.0407T453 220.040744657214 220.040646697332 220.040850904171 452.804114415308 446.444887950974 453.623298532803 42 6 36 [45][M+2]- 2 0.0398241915864077 0.0402267849017023
PM223.8756T329 223.875647906098 223.875574840902 223.875708601363 329.487593819854 324.423692417636 334.887657437659 9 3 6 173 0.0500205963384569 -0.0162142383319867
PM224.1076T68 224.107589044962 224.107475792771 224.107696131289 68.2943433736417 61.9127958394236 71.261630955584 17 3 14 [M-H]- 225.115 135 0.0570640403005753 -0.0192511903608605
PM224.9922T193 224.99220150805 224.992078928604 224.99233870387 193.166016025192 190.422308006523 201.767026739509 22 5 17 122 0.053905799582401 -0.0369127253954703
PM225.0754T353 225.075448786748 225.075285285539 225.123004598436 353.021782816478 311.107082751735 413.42403229062 54 6 36 251 -0.0475537102883003 0.0165598228463423
PM226.0706T632 226.070598166116 226.070397716994 226.070806249612 632.340656790616 628.161028270451 636.780009024642 24 5 19 209 0.0592705073558707 -0.00968714117023511
PM227.066T720 227.065966951437 227.065860233969 227.066080373394 719.664724444369 717.485556944075 724.928794948882 34 3 31 [M+Cl]- 192.096 [M-H]- 228.073 22 0.059723100153971 0.00536252243766702
PM226.9512T343 226.95122450304 226.951093547474 227.125269073473 342.805821576253 312.766083828387 397.405536537433 34 6 28 96 0.0117451082148953 -0.0716210484299286
PM228.0066T663 228.006569726187 228.006437776299 228.017909365403 662.90189791907 594.097007932037 668.03901681467 11 3 4 132 0.00560281792971708 0.0393554534249584
PM228.0992T666 228.099217178668 228.099049049522 228.169956896015 666.34152771037 631.949760691331 729.468111626654 61 6 36 133 0.0553413758767306 0.0216218064370856
PM229.0861T75 229.086134186134 229.085999626789 229.086445776197 75.4572130112877 73.4040074755265 77.9316449570957 18 4 14 113 0.0572953262310557 -0.0252909628117589
PM230.0967T280 230.096704150823 230.096520482138 230.096816477475 280.095226658927 246.259489252811 311.66264741783 36 6 30 [M-2H+K]- 193.149 179 0.0550387814692379 0.0314094419592921
PM231.1001T304 231.100078135253 231.04930956614 231.169487417331 304.239933872533 272.128354672359 378.796461392767 21 3 18 107 0.0347257833632897 0.0221388444833387
PM231.0969T559 231.096863095165 231.096755611907 231.097057221876 559.127235402883 555.649541115144 560.746604731418 18 3 15 49 0.0506569144701923 0.0240157358232276
PM233.0625T600 233.062490405346 233.062256177564 233.113065521055 599.715402429023 528.686043948223 615.430926807159 63 6 35 225 0.0270585030292704 0.0582961986148111
PM234.0188T452 234.018846701604 234.018742408295 234.0189501178 451.824850206644 446.444887950974 453.212060186664 42 6 36 [46][M]- [M-2H+K]- 197.071 2 0.0602014247886347 -0.00976197786739357
PM234.0399T531 234.039884668315 234.039797095607 234.039977866161 530.800481028309 527.200416030406 534.255835985817 32 5 27 32 0.0569959958813486 -0.0252350607090623
PM234.0973T63 234.09732903511 234.097296428039 234.09754857405 63.2404764470126 61.0824367662576 64.0332896845462 4 3 1 [M-H]- 235.105 7 0.0523636737457214 -0.0103666941854581
PM234.9559T906 234.955879742542 234.95573225263 234.956021676287 906.119846255889 904.163524071026 907.850792721703 42 6 36 [M+Cl]- 199.985 14 0.0570592380161101 0.00956081851677501
PM235.0225T452 235.022488252989 235.022299055488 235.022574415525 451.506666477188 446.444887950974 452.985718082281 22 3 19 [46][M+1]- 2 0.060152290010789 -0.010331675648181
PM236.0159T451 236.015868331702 236.015738157438 236.015993261986 451.430866791308 447.602077805785 452.898241495009 25 4 21 [46][M+2]- 2 0.0602244250745615 -0.00959695412951179
PM240.0497T368 240.049667191915 240.027008472477 240.049790271016 368.182771631995 329.53274721749 460.595783173088 29 4 24 223 0.00142786943901241 0.0500173186053985
PM240.0895T736 240.08952291793 240.089400743442 240.089618989711 735.657287510507 735.019362845931 738.470589810947 15 3 12 165 0.0574751341417885 -0.0104737859919001
PM240.8656T329 240.865558609248 240.865462917873 241.05338825067 328.84157581901 322.800723647286 374.807497857186 8 3 5 174 0.0456883699606097 -0.0127004671607365
PM242.9242T319 242.924219299379 242.924110921807 242.924389714075 318.693067700923 294.776641954897 347.757001353444 38 4 34 8 -0.0269493695493395 -0.0184847660894255
PM244.0916T721 244.091603568095 244.091479409207 244.091788406936 720.512638129318 718.468464608748 724.928794948882 42 6 36 [47][M]- [M+Cl+NH3]- 192.096 [M-H+NH3]- 228.073 22 0.059491044181274 0.00565635781055086
PM244.0781T487 244.078113097517 244.078028670355 244.091348972238 486.721073308255 480.378210156501 558.826628175547 23 3 18 76 0.00945359990568011 0.0979487066518351
PM245.0954T720 245.095407816831 245.09526246454 245.095848424831 720.457248360298 718.468464608748 724.981467196799 42 6 36 [47][M+1]- 22 0.0593734644020497 0.00602884386954768
PM247.0793T478 247.079261063674 247.078078836384 247.127865015192 478.223386131098 474.869932441715 485.159753969833 28 3 25 237 0.00652444465357784 0.08478003811305
PM250.0136T532 250.013561670008 250.013507840559 250.013658580793 532.06688085116 528.495057783139 533.298621912048 16 3 13 32 0.0588879536458175 -0.0182820003153212
PM250.911T186 250.910983277808 250.910901786078 250.911101001481 185.826627955925 181.484163318548 192.950643312919 12 3 9 36 -0.0296311073796817 -0.0506052268577578
PM252.1432T586 252.143236809049 252.142408862862 252.143374343644 586.412584109853 578.676296156417 592.838127821502 30 3 27 81 0.0552440002160456 0.0247879206034505
PM255.0967T332 255.09666057412 255.096540693263 255.096802961891 331.615553977943 316.321864569761 353.410831546567 42 6 36 175 0.0582338722971984 -0.00790488416289238
PM256.0806T607 256.080647405255 256.080555400289 256.128261078926 607.254739230354 507.429108719532 615.032757227815 47 6 35 [48][M]- [M-H]- 257.088 41 0.057911554365075 -0.014958575251424
PM257.0842T605 257.084217267368 257.084144844558 257.084286893646 605.465149729164 604.404269845009 606.405870867035 12 3 9 [48][M+1]- 41 0.058144265699188 -0.0151303626783917
PM258.1086T767 258.108598710237 258.108453963037 258.10874794885 766.684498265296 756.498641599689 770.948905819554 35 5 30 [49][M]- [M-H]- 259.116 40 0.0378655134073913 0.0221223602783884
PM258.8978T309 258.897826378608 258.897698009676 258.897989465321 309.006219751899 289.33382721715 346.336684196675 35 4 31 266 0.00636416834964235 -0.0234366499462655
PM259.0708T453 259.070764807766 259.07057676059 259.070946884035 452.964271896965 447.602077805785 453.892187519169 42 6 36 2 0.0400898037162612 0.0431255503145468
PM259.1122T767 259.112196443497 259.07948361383 259.112497478091 766.684498265296 731.419691812498 771.832139789225 33 4 28 [49][M+1]- 40 0.0372387164938914 0.0225850669528515
PM261.1294T60 261.129392560146 261.129259051643 261.129847470807 60.0841343946222 56.216352469263 64.3892990101643 40 6 34 100 0.00775371585777889 -0.0237567696103572
PM261.1423T445 261.142309354067 261.140606401024 261.142969678056 444.523986953109 440.17435465848 533.809600091444 27 0 22 105 -0.00494965616722084 0.0822208545032454
PM261.1544T794 261.154424254349 261.154346369908 261.154537790742 794.27008252985 785.407802313995 805.4036080388 16 3 13 252 0.0549429535409192 -0.00590498171341118
PM261.072T207 261.072039856285 261.071821018025 261.072190107756 207.110104424432 203.162275595735 226.729827988906 16 3 13 106 0.0568300869686271 -0.0347684607432537
PM263.0724T669 263.072430621492 263.07207655368 263.0863397267 669.330146679865 551.762879541755 739.629922742911 61 6 36 200 0.0408475454065703 0.0619239946033312
PM265.0663T464 265.066310235089 265.066179189945 265.066481426062 464.474063210018 459.8887258605 468.3447971054 21 3 18 89 0.0467235792293227 0.031937232010142
PM265.1105T361 265.110510326675 265.110372836834 265.153420318029 361.247668059067 330.685845184078 370.047966774871 14 3 11 219 0.0520648154159052 -0.0119213819465152
PM266.0734T559 266.07341779345 266.073341674536 266.073537173159 559.403459049977 554.759733987663 560.905916845235 21 3 18 49 0.0177601287220686 0.0868996971746101
PM268.1027T340 268.102707316993 268.102574668621 268.102879443702 340.03633954751 307.05948683578 357.775274610516 42 6 36 37 -0.0114852072599255 0.088740863733179
PM269.1064T345 269.106446075694 269.087640327292 269.106752989794 344.978833009923 329.527353635664 439.644869362828 30 3 24 65 -0.0112373286206372 0.0876269104496896
PM270.096T544 270.096005105686 270.095787922762 270.096124607686 543.957984405866 541.503575890878 546.53132933935 20 5 15 184 0.0579715674594529 -0.0154603123834093
PM275.134T675 275.133959897675 275.133608995478 275.134290322026 674.734035499369 671.981747566608 686.046087512552 26 3 23 201 0.0464259980574697 0.0467719814963487
PM275.0662T531 275.06619766257 275.066056394598 275.066284671591 531.08195338779 528.495057783139 534.255835985817 15 3 12 [3M+2Cl]2- 160.063 32 0.0573087555373003 -0.021778199546046
PM276.1173T793 276.11731909741 276.117060491701 276.117464279524 793.308217341353 781.496759912722 798.744043460145 26 3 23 253 0.00854611684306732 0.100166428481436
PM277.0876T589 277.087632370696 277.087445996532 277.101810369023 589.293156131107 476.482891565792 594.428796732089 56 6 36 192 0.0534004428317291 0.0205878307234909
PM277.1014T768 277.101437374671 277.101267938691 277.120973014858 768.482729938616 685.240287822766 798.744043460145 23 3 17 194 0.0550384635486478 0.0296939743953931
PM277.0668T408 277.066837337061 277.06665572137 277.16409541194 408.355024928914 351.047096812747 421.223160660541 19 3 15 152 0.0181363906052255 -0.00284817116701116
PM278.091T593 278.09101428605 278.061748238971 278.091187349882 592.988076625058 590.428615270004 605.867872331461 17 3 14 [50][M]- 160 0.0545375527151853 0.015750573510189
PM279.0923T592 279.092312074424 279.092105332383 279.092672357455 592.222166847822 586.977395828915 594.428796732089 22 3 19 [50][M+1]- 162 0.0521941330483687 0.0240475283922954
PM279.2301T419 279.23009527817 279.081347700898 279.230200336797 418.691346741717 413.357878574241 441.532908473797 24 3 21 177 -0.00774195717494995 -0.0055635297035608
PM280.0904T765 280.090431121859 280.090270744293 280.090547785479 765.17452481104 758.119304392982 770.948905819554 21 3 18 [M-2H+Na]- 259.116 40 0.0314559819742277 0.0215312673380243
PM282.0471T559 282.047146338878 282.04701305422 282.047217047827 559.403459049977 554.759733987663 560.122589240268 11 3 8 49 0.044118390355119 0.0589582887641996
PM284.0973T549 284.097287119911 284.097184575767 284.097540157789 548.79056694743 544.661800032108 554.063465342167 31 5 26 [M-H]- 285.105 27 0.0252090444953262 0.078271974910085
PM285.11T446 285.109971010244 285.100973796212 285.110102294921 446.444887950974 442.102334595055 546.010792301136 11 3 8 18 0.0347357633068725 0.00782894500756786
PM286.0906T718 286.0906217479 286.090547426278 286.090668504379 718.201394322044 717.417879663598 718.583621636872 13 3 10 [M-H-CH3]- 302.133 22 0.0578562791124307 -0.0171494576296642
PM287.094T353 287.093996160466 287.093597299763 287.108709485703 352.529816234974 341.513710085379 398.897636644321 20 2 18 164 -0.0248600307907978 0.0109278765728536
PM289.1381T414 289.138083322827 289.137809305225 289.13844106228 414.342627783296 379.612629087579 420.042211128996 36 6 30 211 0.0414332202053406 -0.0418080334958902
PM289.9215T264 289.921531297945 289.921463383262 289.921704525719 264.347033390923 255.93947114584 268.6343136541 12 3 9 207 0.059099776373154 -0.0122732534715082
PM291.1287T966 291.128729071117 291.126635782643 291.129570105735 965.97748176419 963.745189003689 969.588646963956 34 5 29 110 0.0576280285748563 -0.00714320411888944
PM291.1037T427 291.103663532235 291.096100094464 291.103843511005 427.3731236189 404.662469127291 433.082026568286 32 4 28 9 0.0520803530729272 0.0439936503083724
PM291.9055T906 291.905535156539 291.905425583021 291.905602726083 905.963232170472 905.224299591617 907.130233606857 6 3 3 14 0.0586692141710971 -0.00105093672637488
PM292.1964T854 292.196374956325 292.19627199365 292.196656480855 854.257247531228 851.239954528327 856.532447383067 22 3 19 4 0.0515886877943229 0.0436780466590948
PM293.0619T593 293.061937644484 293.06181955631 293.062034130721 593.170205307134 586.977395828915 595.314504173375 17 3 14 160 0.0592880939485454 -0.0098305966308914
PM293.0831T793 293.08311492744 293.082867253476 293.200123841661 793.176371384447 720.594505993461 854.171389347528 22 3 11 254 0.0543901820087215 0.00655963735407852
PM294.0362T607 294.036179826257 294.036063984845 294.036302701723 606.733707004638 605.539427350632 607.718798038595 6 3 3 [M-2H+K]- 257.088 41 0.0585951850393405 -0.0147940383707128
PM294.936T184 294.936025189158 294.935888320928 294.936197747522 183.798209810058 179.077076231322 190.949741154792 17 3 14 36 -0.0277713871879811 -0.0456720781508458
PM298.0948T856 298.09475124422 298.094686843381 298.094909484685 855.816125520472 853.79482183091 861.470872798437 20 3 17 127 0.0486883741933332 0.0142599514757312
PM301.1043T527 301.104307255316 301.104212552205 301.104591087011 527.361991439716 524.953633313687 531.086782931324 26 3 23 188 0.023315473010204 0.0172135623217337
PM301.1123T711 301.112271773949 301.112129649171 301.112418379022 710.971694931085 710.047242055383 715.605130686767 14 3 11 19 0.0551057819966336 -0.00881862068909374
PM305.1441T599 305.144060829221 305.140665778812 305.144375458075 598.631943216973 594.735804060676 601.871993550131 19 3 16 55 0.0583672019795294 -0.00163218654899165
PM305.0982T223 305.098207893881 305.097572266507 305.09960471169 223.021912793192 217.901495944633 239.50624431163 18 5 13 117 0.0565281494364104 -0.0154797461493795
PM307.0982T676 307.098189693158 307.097900861722 307.100334224764 675.903950207062 662.3697415523 731.419691812498 43 6 36 72 0.0561679242266888 0.00732245223145482
PM307.0773T424 307.077270418953 307.077164285556 307.112788587482 423.625136146172 369.91403327758 431.044499121026 22 3 19 9 0.0583245142298395 0.00380428202995229
PM307.2243T71 307.224301658362 307.187211110863 307.225118545198 71.0973596365489 64.8183823613382 73.1428122136555 9 4 5 21 0.000622431010121702 -0.0660645098384178
PM308.0894T693 308.089416643275 308.089199124658 308.102100675865 693.216702020258 667.770971097582 700.406271756126 15 3 12 154 -0.00629761389914593 -0.0154544815268317
PM311.1254T452 311.125377757525 311.125191268041 311.125567419717 452.348724051554 451.191271668051 454.747717850152 42 6 36 [51][M]- 2 0.0436763113761577 -0.00181848623465053
PM311.2563T604 311.25633707675 311.255988037068 311.256599741413 603.818249137827 598.996407407603 610.122053345069 21 1 20 119 0.0490583372271439 0.0486553809832105
PM312.1287T452 312.128716763216 312.128471500592 312.128994751906 452.352907670344 451.384687353916 454.747717850152 42 6 36 [51][M+1]- 2 0.0434596595914042 -0.00165941008223411
PM313.2721T547 313.27209361414 313.271863104174 313.272283029205 547.304246166176 541.479098275245 556.754795892328 42 6 36 27 0.0543382131287773 -0.00392475712127823
PM313.1201T452 313.120073590328 313.119594582405 313.120612969728 452.103940750943 450.8592564902 453.106316994966 22 3 19 [51][M+2]- 2 0.0433317204404547 -0.00431642102504992
PM313.2721T357 313.272062477783 313.271913087651 313.272355755268 356.900861413388 341.735821626943 369.975732802521 30 3 27 69 -0.0517214484269571 0.0302160178920641
PM315.1261T639 315.126078309735 315.12588418666 315.126256284706 639.015410951506 634.365648130339 643.35107021844 21 3 18 123 -0.0361641788139185 0.0505448693615062
PM317.0972T278 317.09722974034 317.06105462146 317.097861157252 278.183251192218 228.496531331033 334.418259225855 32 3 18 264 0.0448877746170807 0.0232687362995904
PM317.2064T60 317.206445208979 317.118118070671 317.206722510851 60.3787473881022 56.216352469263 67.2801243679167 20 0 20 269 -0.00865986383330627 0.0830255969449957
PM319.1128T207 319.11279534078 319.112514572349 319.113280917546 206.721682902854 199.026955137373 222.307336789565 32 6 26 271 0.0547536717829907 -0.0254686727614055
PM320.8641T284 320.864070125699 320.863998409354 320.864222240188 283.685069966464 276.105327181038 284.925191081169 7 3 4 181 0.036160305764821 -0.0228565812311394
PM321.1135T608 321.113489748161 321.112975453651 321.113674155183 607.614859348984 603.570032630135 611.592757562824 30 4 26 195 0.0507160510361828 0.0329966259781848
PM321.0957T382 321.095695460127 321.095483713195 321.128249466983 381.527587190859 349.621236794105 407.329420447618 22 3 15 103 0.0136490646929609 0.0651379836218388
PM322.111T498 322.111018686147 322.086912823839 322.111180245158 497.885341455424 440.118419023078 501.011339043716 23 3 20 234 0.0066484871416731 0.0717988556960335
PM323.0718T669 323.071758821971 323.071639948964 323.171071584675 668.770892279403 663.43219504981 748.798452112044 17 3 14 202 0.0582402134063318 -0.0165833175859618
PM323.0507T278 323.050703482737 323.05050530385 323.122654749074 277.852916042261 268.185562497222 363.838997665569 16 3 13 88 0.056318707747771 -0.0232263912155016
PM325.111T732 325.110961944237 325.110334036636 325.112220064077 732.001078014997 730.061036663494 737.930225387155 37 4 33 15 -0.00947028919480117 0.0220714422532107
PM325.1375T496 325.137460814194 325.08611942632 325.235309356511 496.298980881368 458.69758706239 526.755552128469 20 3 14 233 0.0368369263206468 0.0228817287255451
PM327.0457T287 327.045721882038 327.04556149071 327.045851424756 286.824985561254 280.771279523666 301.774565546913 15 3 12 221 0.059734736094575 -0.00885875145519456
PM327.0667T499 327.066680663763 327.066388006293 327.120033167232 499.328841535974 494.573042499909 532.151777529573 40 6 33 58 0.0536807399656729 -0.00738174231519893
PM332.9319T906 332.931862850824 332.931706719122 332.932326170805 906.297428353512 904.480021079198 907.308950507572 20 3 17 14 0.0587044554117362 0.000921452985502792
PM333.1139T526 333.113899484653 333.084326376839 333.135484149168 525.674783266226 520.373817080893 660.573887555784 35 4 29 156 0.0529219186201698 0.0316188737510767
PM334.8715T186 334.871510150931 334.871367571673 334.871809056557 185.848999517908 177.802074895588 210.444707675055 21 4 17 36 -0.0297895662055249 -0.052347756857461
PM335.1084T239 335.108438518449 335.107934878309 335.109167274231 238.838517951201 227.675011332873 279.679070459128 25 3 22 108 0.0567536176429561 -0.0123625905315715
PM335.0622T835 335.062227013052 335.062097956287 335.062308242974 834.757096400939 831.370831925938 836.61426018713 14 3 11 38 0.0592155107549895 -0.00522452430347775
PM335.2562T360 335.256161848853 335.059106634389 335.256561602681 359.761558735965 341.735821626943 388.760131256291 34 3 27 216 -0.0478082337086778 0.00756227218966804
PM335.2563T556 335.256328375842 335.255728500346 335.256489732732 555.581931417994 547.499388606789 556.762008907606 11 3 8 75 0.0473960219050833 -0.0309228612564778
PM335.2178T68 335.217777744227 335.180936166658 335.255778541961 68.3989300291898 60.5565875011633 71.3569072153079 9 3 6 167 -0.0407865275964691 0.0275222340379215
PM337.1088T718 337.108793913634 337.108342968869 337.109259146133 718.150649678045 716.378066731064 723.492490288297 42 6 36 [M+Cl]- 302.133 22 0.0515317289452206 0.0223181437059917
PM337.088T610 337.087983167917 337.087733206092 337.107667936417 609.819561493472 603.945225996482 642.33409573789 31 4 27 195 0.0571426408353829 -0.00298522055575248
PM337.2721T364 337.272094009085 337.069921093362 337.272638035978 363.695241333215 348.641620799818 407.21348576332 41 5 32 216 0.0520917286163934 0.0150213930218842
PM337.2721T471 337.272074932455 337.271850049197 337.272358514594 470.79686479209 469.036554548241 474.17594284814 17 5 12 272 0.0545844493537981 -0.0370219282427347
PM338.1219T494 338.121867227282 338.121656339732 338.122056568867 493.622288006508 489.841767256449 497.947439906392 23 3 20 270 0.0591945788757487 -0.00279891286568395
PM338.34T64 338.340020244574 338.339723245357 338.34015385577 64.0215649216515 62.0244092750631 68.2853602605353 8 3 5 137 0.00407823495851926 -0.00910720364594979
PM339.0454T436 339.045397575972 339.045206834859 339.045545593872 436.31929053776 419.658899957097 441.045467710136 14 3 11 118 0.057467143016979 0.0017700296934211
PM339.1242T495 339.124177725492 339.124007513327 339.287089366289 494.555890332429 363.095451915226 497.947439906392 17 3 14 235 0.0276046294400924 0.0472860233258596
PM343.0404T501 343.040363810173 343.040294485206 343.040504424381 500.774768380317 498.961735810485 503.365580366947 14 3 11 58 0.0586335065485988 -0.0143827809434165
PM344.0509T291 344.0508821234 344.050681528581 344.051039668223 291.089289533591 286.165429964909 337.851942784943 18 3 15 59 0.0517625563481963 -0.00555912457569326
PM347.0625T632 347.062513811393 347.062418708493 347.092502145026 632.351118390934 629.081991969745 730.539285052435 15 3 12 45 0.0262130566289188 0.0583076238454075
PM348.0683T997 348.068308450621 348.068198415265 348.068451485373 997.285058538571 995.559641232861 999.161364685694 13 3 10 70 0.0595960625516317 -0.00402212454765872
PM349.2284T853 349.228395929845 349.228182742065 349.228913790848 853.420273355846 851.383117313941 855.1382689568 39 6 33 [M-H]- 350.236 4 0.0581295189803878 0.00500927148299741
PM349.0875T478 349.087461271975 349.086957276479 349.235384407558 477.912143901037 398.367644943451 525.36178064549 30 4 22 236 0.0285043769373651 0.00261790786817004
PM353.2664T452 353.266389081919 353.132637400332 353.266665491655 452.045779107518 345.059240940313 453.892187519169 31 5 26 125 0.0521206354613619 -0.0429114600798597
PM355.1155T413 355.115495227228 355.097761243016 355.116998554157 412.622848502783 332.188292782008 429.750039848963 23 2 19 212 -0.0363809337175516 0.00545437877510208
PM358.0881T319 358.088102991882 358.087956108472 358.111278969055 318.751998206635 312.60441190981 368.875995429907 18 3 15 144 0.0577851823301984 -0.0147886808880059
PM360.1483T732 360.14834538166 360.148134438067 360.148662971263 731.753980065251 730.825685878214 734.649443416819 42 6 36 [52][M]- 15 -0.0136120547665635 0.0313970864704507
PM360.831T316 360.831034336264 360.830910056056 360.831134797756 315.968231171166 311.210235343156 324.418274822389 11 3 8 145 0.0561694383061508 -0.0229812569054939
PM361.1515T731 361.151536038273 361.151305931883 361.151775688467 731.467092139837 730.061036663494 734.649443416819 21 3 18 [52][M+1]- 15 -0.0161245409303024 0.0307149843112148
PM365.1028T732 365.102785646642 365.102546895714 365.103125496094 731.811369772613 730.665106186982 734.649443416819 42 6 36 [53][M]- [3M+Cl]- 110.038 [2M-2H+K]- 164.073 15 0.00781984862775182 0.0584233821352153
PM365.1183T367 365.118277971499 365.064476117498 365.118814916039 366.615974688794 335.185410150518 377.545383157509 28 3 24 224 -0.00615197813384455 -0.00677138186458511
PM366.1063T732 366.106331160258 366.106107173525 366.106676420773 731.811369772613 730.354826393054 734.649443416819 42 6 36 [53][M+1]- 15 0.00771492833765479 0.0593665290777804
PM367.1079T732 367.107908510263 367.107687506413 367.108218018445 731.96771952327 730.825685878214 734.649443416819 42 6 36 [53][M+2]- 15 0.00773618310158815 0.0603694242957077
PM369.0767T378 369.076719677009 369.076553022379 369.077509463085 378.240911179705 369.48545543096 388.552431270913 21 3 18 183 -0.0286654231264929 -0.0247934608851324
PM371.2104T854 371.210375660354 371.209864872915 371.21068937406 854.306315532779 851.685124577272 855.600606911538 21 3 18 [M-2H+Na]- 350.236 4 0.00864988920562519 -0.00258333583187154
PM373.1255T428 373.125523127492 373.125027898336 373.126406737379 428.138949811743 402.99888222872 431.548950784546 35 6 29 268 0.0232425998356338 -0.0443221130225657
PM373.8823T266 373.882270594502 373.882186119712 373.882454576813 265.930928456145 256.845107569925 269.377821913106 10 3 7 208 0.0588279571070517 -0.00511735913142517
PM374.0616T213 374.061575714586 374.061467762536 374.06172314298 212.815668497392 208.023590598921 216.725936999524 12 3 9 82 0.0569437119770713 -0.0226856872570415
PM381.0774T732 381.077383237014 381.077168475576 381.077620321502 731.920207862561 730.322911979268 735.310254373359 42 6 36 [54][M]- 15 0.0566396551345156 0.0126426052784025
PM381.0927T360 381.092677611906 381.092482115979 381.093148868548 359.716741484882 318.742429189663 372.136688606321 41 6 35 50 0.0522461440343243 -0.0269345847009084
PM382.081T731 382.080958289329 382.080839324148 382.081198026134 731.001072622626 730.117656666244 732.607231616803 16 3 13 [54][M+1]- 15 0.0578092103090128 0.0141342214844261
PM391.1187T451 391.118672265816 391.11842388081 391.118833740984 450.899495830141 442.937309079475 452.353587329101 37 6 31 [M-H]- 392.126 18 0.0563290716369333 0.0149134154261633
PM393.1329T279 393.132883274138 393.131833516581 393.133052792237 278.775615019794 270.477349981228 290.769981844506 11 3 8 88 0.049430007889762 -0.0215074552322187
PM398.8066T314 398.806568347507 398.80636404571 398.806888266929 313.622531497291 312.60441190981 322.903903772714 12 3 9 246 0.0535179846813364 -0.0281841866915259
PM401.1767T339 401.176738356038 401.154605296153 401.177175836044 339.17238735915 323.226808505357 444.309327582147 21 3 17 37 -0.0319718385882246 0.0395934960669432
PM404.8258T282 404.825792904367 404.825476163967 404.826229198274 282.082776025101 276.105327181038 292.229317563815 13 3 10 182 0.045274489087529 -0.0169494295185114
PM409.1088T349 409.108767919021 409.10852754731 409.109076503893 349.451164132074 332.429930971564 363.676440034941 30 3 27 17 -0.0278273311371912 0.0136829678203435
PM411.1035T294 411.103537294693 411.103397478964 411.103663418565 293.952443979698 291.783527577322 296.180769816268 12 3 9 245 0.0536659795342013 -0.0272995676842451
PM413.1007T451 413.100671209659 413.100495100201 413.10077868498 450.68576166 442.937309079475 452.623857288585 21 3 18 [55][M]- [M-2H+Na]- 392.126 18 0.0410458850975868 0.0366885399953762
PM414.1036T450 414.103629166434 414.103547607293 414.103801815415 450.448354648086 445.428318325301 451.914534027367 9 3 6 [55][M+1]- 18 0.0402661320234909 0.0371427241082555
PM425.0835T336 425.083450113112 425.083181202323 425.156399240055 336.378924113412 265.577566069019 363.676440034941 57 6 36 199 0.0557862380799817 -0.010671914711791
PM426.0868T311 426.086797709339 426.086652342367 426.087100820158 311.183406590495 309.683170892195 359.089572879823 15 3 12 231 0.057214426634896 -0.0179738308098552
PM427.0821T311 427.082080137046 427.081936941249 427.082363620426 311.183406590495 309.683170892195 349.389108023638 15 3 12 232 0.05733750270478 -0.0148527536552615
PM433.1112T467 433.111195114458 433.110827516443 433.233305760767 466.568131363457 463.412668050964 518.476872458115 19 3 16 265 0.0565992480780723 -0.000638944417125253
PM439.1408T814 439.140846496826 439.140635739002 439.141103731654 814.240660350949 806.141166120034 816.878827436409 42 6 36 257 0.0486044791415579 0.0155317656328458
PM457.11T217 457.110029291395 457.109743855624 457.110387716416 217.218483573745 211.023458301073 255.981958475094 21 3 18 [56][M]- 34 0.05609954586353 -0.0206020250679776
PM458.1135T216 458.113470845778 458.113329446626 458.113653151421 215.720339986391 211.023458301073 219.57588078802 12 3 9 [56][M+1]- 34 0.0559836161710005 -0.0217105974786279
PM459.1103T216 459.110315716503 459.110205110711 459.110530417643 215.720339986391 211.023458301073 218.656581801493 12 3 9 [56][M+2]- 34 0.0561036359156438 -0.021752451949044
PM502.7971T179 502.797058335704 502.796793711311 502.79727389364 179.064868649209 177.159574693039 210.444707675055 19 3 16 114 -0.0199756659172565 -0.0596208330741416
PM525.2471T250 525.247076458295 525.246862571979 525.247406373225 250.129232026204 235.001036256592 263.818653027253 25 4 21 83 0.0450290842360949 -0.0471812364659926
PM539.2272T274 539.227182820063 539.226859394948 539.22757005406 274.350767000669 256.766046395141 315.898974334959 28 6 22 250 0.0554146656371461 -0.0258157310912879
PM539.29T546 539.289953303755 539.289296088193 539.290505731388 545.894258025114 541.479098275245 549.999861545653 21 3 18 27 0.0537963982031292 -0.00846888834417889
PM549.4901T514 549.490125135394 549.489879581993 549.490892076445 514.416576260551 508.435954862488 517.343260771995 16 3 13 85 0.0497678227844875 -0.0100081317327674
PM571.4705T508 571.470478219374 571.470063783515 571.470800340619 507.796555501493 501.048579860775 515.245325332113 40 6 34 51 0.047130248692787 -0.0442801034919346
PM572.474T513 572.473978801496 572.473792800662 572.474246664069 513.220200220798 509.668375857683 515.245325332113 12 3 9 85 0.0467844115485584 -0.0456051409306958
PM573.4856T507 573.485578780153 573.485095067166 573.486304162155 507.350537395682 419.637916810122 515.245325332113 40 6 33 51 0.0530988646444693 -0.0302550480635436
PM573.4863T628 573.486264657619 573.485801171512 573.486794613518 628.001732840107 623.923637887049 635.182414952244 36 6 30 68 0.0539313403483258 -0.0179524420215349
PM574.4895T513 574.489521061466 574.489350424315 574.489757180088 512.527945260961 509.668375857683 515.245325332113 12 3 9 63 0.0531435440776572 -0.030131208631655
PM575.5018T627 575.501806574105 575.501340854931 575.502364659176 626.906249435688 622.224531282191 634.195716570131 41 6 35 [57][M]- 68 0.0533634201357027 -0.028818406605719
PM575.5019T418 575.501856283009 575.501588074267 575.502221562174 418.242599511995 397.405536537433 420.894025755117 24 3 21 178 0.00364005311267052 -0.0772831399905874
PM575.5015T510 575.501471501434 575.501187164458 575.501736246993 510.224572866865 502.909440474868 514.332904520497 20 6 14 63 0.0519587606134583 -0.042425771385414
PM576.5053T627 576.505343297393 576.505122025599 576.505899298912 626.667740131564 623.184757150059 634.195716570131 22 5 17 [57][M+1]- 68 0.0523493105001795 -0.0295118437152424
PM577.5172T506 577.51715208039 577.516760881253 577.517585416469 506.291144671125 502.909440474868 513.412592312723 30 6 24 51 0.0519172209530963 -0.0351314497742861
PM585.4506T70 585.450600174394 585.450403870976 585.45099366234 70.0157294193801 68.5500590597373 71.7259904231307 27 6 21 [58][M]- 21 0.0277735690435513 -0.0676662247586186
PM586.4542T71 586.454179403718 586.453873826474 586.454453578689 70.6046732903446 69.3792930919461 71.8413896332002 11 3 8 [58][M+1]- 21 0.0261583661158055 -0.0692338642464518
PM593.2755T65 593.275495325991 593.275065915759 593.275639188995 65.3837318753284 61.9127958394236 67.7295182208533 13 3 10 7 0.0560297009324119 -0.0175664827268132
PM595.1657T510 595.165653030308 595.165386776644 595.165978717154 510.108375092897 504.536119725666 514.332904520497 38 6 32 [59][M]- [M-H]- 596.172 63 0.0574274528224458 -0.00943853751698537
PM596.1691T512 596.169126590506 596.168969955981 596.169430835121 512.232610135127 507.847320737325 514.332904520497 17 3 14 [59][M+1]- 63 0.0573291816984385 -0.00989281752837279
PM597.4877T415 597.487715318305 597.487445323418 597.488058741546 415.183093203147 389.190378538545 418.491093834947 25 4 21 101 0.0181877067679396 -0.0562279936030052
PM599.5033T413 599.50334799944 599.503038321245 599.50384354833 413.084631609731 370.352950989444 417.714771999177 33 6 27 213 0.00979383107866538 -0.071672293616604
PM611.1553T585 611.155323232825 611.154917613617 611.156237257448 585.139937087035 579.587384018097 590.256569878205 33 6 27 262 0.0558760488479109 -0.0225920829294149
PM613.4776T356 613.477581869617 613.477101247499 613.478498231106 355.87568978695 341.735821626943 365.110162037924 20 1 19 69 -0.0497144209724607 0.00908778178662927
PM617.1432T512 617.143238363122 617.142303935153 617.143594267041 511.860792004069 509.697543904161 514.628762388813 24 4 20 [M-2H+Na]- 596.172 63 0.0455531179500175 0.0322353456230065
PM627.6784T327 627.678362226259 627.67824130822 627.678414877643 326.847917183391 322.188147206559 330.747189332227 5 3 2 146 0.0433409261749328 -0.0109949006292789
PM629.6769T327 629.676886768378 629.676857032351 629.67741202344 326.847917183391 322.188147206559 330.747189332227 5 3 2 147 0.0431169590658257 -0.0108116997052315
PM633.1394T590 633.139407754466 633.139196899596 633.139683995174 589.707370640697 585.031985131068 591.175936325245 16 3 13 35 0.0516735022825144 -0.00205530694591814
PM695.4577T415 695.457716851799 695.456533889381 695.458285547787 414.917655188082 375.596342281939 419.265701362338 24 6 18 101 0.000213732618531975 -0.0793326893309046
PM697.4735T407 697.473492475438 697.472731407258 697.473923636744 406.674077544716 387.396520938948 416.512435891268 12 3 9 153 -0.0102857387970766 -0.0824224069502187
PM711.6391T327 711.639053761571 711.638913261776 711.639522061644 326.847917183391 322.800723647286 330.747189332227 5 3 2 148 0.0441979933570736 -0.0120830227909165