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Return to study ST000744 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-AMINOCYCLOPROPANE-1-CARBOXYLIC ACID (M+H)+
1-Aminocyclopropanecarboxylic acid
ME206317
535
-
0.958
101.047
VALINE (M+NA)+
Valine
ME206454
6287
-
0.861
117.078
VALINE (M+H)+
Valine
ME206453
6287
-
0.864
117.079
2-HYDROXY-3-METHYLBUTYRIC ACID (M+NA)+
2-Hydroxy-3-methylbutyric acid
ME206325
853180
-
3.418
118.063
3-HYDROXYBENZALDEHYDE (M+H)+[-H2O]
3-Hydroxybenzaldehyde
ME206330
101
-
4.845
122.037
NICOTINAMIDE (M+H)+
Niacinamide
ME206408
936
-
1.081
122.047
N-CYCLOHEXYLFORMAMIDE (M+H)+
N-Cyclohexylformamide
ME206406
13017
-
7.985
127.099
N-CYCLOHEXYLFORMAMIDE (M+NA)+
N-Cyclohexylformamide
ME206407
13017
-
7.985
127.1
PIPECOLIC ACID (M+H)+
Pipecolic acid
ME206424
849
-
0.92
129.077
ISOLEUCINE (M+H)+
Isoleucine
ME206385
6306
-
1.496
131.095
ASPARAGINE (M+H)+
Asparagine
ME206340
6267
-
0.647
132.052
ORNITHINE (M+H)+
Ornithine
ME206417
6262
-
0.513
132.09
HYPOXANTHINE (M+H)+
Hypoxanthine
ME206379
790
-
1.077
136.039
SPERMIDINE (M+H)+
Spermidine
ME206432
1102
-
0.518
145.158
LYSINE (M+H)+
Lysine
ME206399
5962
-
0.51
146.106
N-ACETYL-DL-SERINE (M+H)+[-H2O]
N-Acetylserine
ME206404
65249
-
0.896
147.052
METHIONINE (M+H)+
Methionine
ME206400
6137
-
0.961
149.051
GUANINE (M+H)+
Guanine
ME206374
764
-
0.844
151.048
L-HISTIDINE (M+H)+
Histidine
ME206392
6274
-
0.528
155.069
L-HISTIDINE (M+NA)+
Histidine
ME206393
6274
-
0.6
155.069
INDOLE-3-ACETALDEHYDE (M+H)+
Indoleacetaldehyde
ME206381
800
-
1.717
159.069
CARNITINE (M+H)+
Carnitine
ME206348
10917
-
0.616
161.104
PHENYLALANINE (M+H)+
Phenylalanine
ME206423
6140
-
2.454
165.078
1-METHYLXANTHINE (M+H)+
1-Methylxanthine
ME206319
80220
-
2.481
166.048
1-METHYLXANTHINE (M+NA)+
1-Methylxanthine
ME206320
80220
-
2.498
166.048
3-METHYLXANTHINE (M+H)+
3-Methylxanthine
ME206332
70639
-
2.477
166.052
URIC ACID (M+H)+
Uric acid
ME206450
1175
-
0.996
168.028
HOMOGENTISIC ACID (M+H)+
Homogentisic acid
ME206378
780
-
2.085
168.04
3-DEHYDROSHIKIMIC ACID (M+H)+[-H2O]
3-Dehydroshikimate
ME206329
439774
-
0.911
172.036
4-QUINOLINECARBOXYLIC ACID #2 (M+H)+
4-Quinolinecarboxylic acid
ME206334
10243
-
4.997
173.047
SUBERIC ACID (M+NA)+
Suberic acid
ME206438
10457
-
8.347
174.091
L-ARGININE (M+H)+
Arginine
ME206390
6322
-
0.605
174.111
L-ARGININE (M+NA)+
Arginine
ME206391
6322
-
0.59
174.111
INDOLE-3-ACETIC ACID (M+H)+
Indoleacetic acid
ME206382
802
-
8.505
175.064
INDOLE-3-ACETIC ACID (M+NA)+
Indoleacetic acid
ME206383
802
-
8.504
175.064
HIPPURIC ACID (M+H)+
Hippuric acid
ME206376
464
-
4.842
179.059
HIPPURIC ACID (M+NA)+
Hippuric acid
ME206377
464
-
4.843
179.059
L-METHIONINE SULFOXIMINE (M+NA)+
Methionine sulfoximine
ME206394
89034
-
0.645
180.059
GLUCOSE (M+NA)+
Glucose
ME206369
5793
-
0.749
180.063
THEOBROMINE (M+H)+
Theobromine
ME206444
5429
-
3.482
180.065
THEOPHYLLINE (M+H)+
Theophylline
ME206445
2153
-
4.416
180.065
THEOPHYLLINE (M+NA)+
Theophylline
ME206446
2153
-
4.452
180.065
TYROSINE (M+H)+
Tyrosine
ME206449
6057
-
1.297
181.074
3-(4-HYDROXYPHENYL)LACTIC ACID (M+H)+
Hydroxyphenyllactic acid
ME206328
440177
-
3.647
182.056
4-PYRIDOXIC ACID (M+NA)+
4-Pyridoxic acid
ME206333
6723
-
1.891
183.052
CHOLINE PHOSPHATE (M+H)+
Choline phosphate
ME206350
1014
-
0.623
183.065
CYSTEIC ACID (M+H)+
Cysteic acid
ME206354
72886
-
0.639
187.017
KYNURENIC ACID (M+H)+
Kynurenic acid
ME206387
3845
-
5
189.043
N-ACETYL-DL-METHIONINE (M+NA)+
N-Acetylmethionine
ME206403
448580
-
4.089
191.063
CITRIC ACID (M+NA)+
Citric acid
ME206351
311
-
1.023
192.027
GALACTURONIC ACID (M+NA)+[-H2O]
Galacturonic acid
ME206368
84740
-
0.736
194.043
METHYL BETA-D-GALACTOSIDE (M+NA)+
Methyl beta-D-galactoside
ME206401
94214
-
0.663
194.078
CAFFEINE (M+H)+
Caffeine
ME206345
2519
-
5.953
194.082
CAFFEINE (M+NA)+
Caffeine
ME206346
2519
-
5.95
194.082
SALICYLURIC ACID (M+NA)+
Salicyluric acid
ME206430
10253
-
6.29
195.054
SALICYLURIC ACID (M+H)+
Salicyluric acid
ME206429
10253
-
6.29
195.057
SPERMINE (M+H)+
Spermine
ME206433
1103
-
0.519
202.216
ACETYLCARNITINE (M+H)+
CAR 2:0
ME206336
18230
-
0.902
203.115
TRYPTOPHAN (M+NA)+
Tryptophan
ME206448
6305
-
3.568
204.089
TRYPTOPHAN (M+H)+
Tryptophan
ME206447
6305
-
3.575
204.09
XANTHURENIC ACID (M+H)+
Xanthurenic acid
ME206456
5699
-
4.601
205.038
L-TRYPTOPHAN-15N2 [ISTD] (M+H)+
Tryptophan
ME206395
16217285
-
3.576
206.085
IBUPROFEN (M+NA)+
Ibuprofen
ME206380
114864
-
18.991
206.131
N-ACETYL-L-PHENYLALANINE (M+NA)+
N-Acetylphenylalanine
ME206405
74839
-
7.786
207.091
KYNURENINE (M+NA)+
Kynurenine
ME206389
161166
-
2.161
208.084
KYNURENINE (M+H)+
Kynurenine
ME206388
161166
-
2.163
208.085
3-METHOXYTYROSINE (M+H)+
3-Methoxytyrosine
ME206331
9307
-
1.983
211.085
DETHIOBIOTIN (M+H)+[-H2O]
Dethiobiotin
ME206359
445027
-
8.143
214.134
PROPIONYLCARNITINE (*) (M+H)+
CAR 3:0
ME206425
107738
-
1.598
217.131
PANTOTHENIC ACID (M+H)+
Pantothenic acid
ME206421
6613
-
3.27
219.111
PANTOTHENIC ACID (M+NA)+
Pantothenic acid
ME206422
6613
-
3.264
219.111
ZEATIN [ISTD] (M+H)+
trans-Zeatin
ME206457
449093
-
3.87
219.113
CYSTATHIONINE (M+NA)+
Cystathionine
ME206353
439258
-
0.636
222.065
CYSTATHIONINE (M+H)+
Cystathionine
ME206352
439258
-
0.634
222.066
BUTYRYLCARNITINE (*) (M+H)+
CAR 4:0
ME206343
213144
-
2.867
231.147
ISO-BUTYRYLCARNITINE (*) (M+H)+
CAR 3:0;2Me
ME206384
168379
-
2.775
231.147
URIDINE (M+H)+
Uridine
ME206451
6029
-
1.353
244.069
URIDINE (M+NA)+
Uridine
ME206452
6029
-
1.357
244.07
ISOVALERYLCARNITINE (*) (M+H)+
CAR 4:0;3Me
ME206386
169235
-
4.511
245.163
SN-GLYCERO-3-PHOSPHOCHOLINE (M+H)+
sn-Glycero-3-phosphocholine
ME206431
439285
-
0.67
257.101
HEXANOYLCARNITINE (*) M+
CAR 6:0
ME206375
3246939
-
6.949
260.187
ADENOSINE (M+H)+
Adenosine
ME206337
60961
-
1.765
267.095
1-METHYLADENOSINE (M+H)+
1-Methyladenosine
ME206318
27476
-
3.022
281.113
OLEIC ACID (M+H)+
Oleic acid
ME206411
445639
-
22.537
282.255
OLEIC ACID (M+NA)+
Oleic acid
ME206412
445639
-
22.536
282.256
XANTHOSINE (M+H)+
Xanthosine
ME206455
64959
-
2.312
284.074
OCTENOYLCARNITINE (*) M+
CAR 8:1
ME206410
71464472
-
9.472
286.203
OCTANOYLCARNITINE (*) (M+H)+
CAR 8:0
ME206409
123701
-
11.598
287.211
5'-METHYLTHIOADENOSINE (M+H)+
5'-Methylthioadenosine
ME206335
439176
-
4.483
297.09
SPHINGOSINE (M+H)+[-H2O]
Sphingosine
ME206436
5280335
-
20.271
299.282
SPHINGOSINE (M+H)+
Sphingosine
ME206435
5280335
-
20.268
299.283
SPHINGANINE (M+H)+
Sphinganine
ME206434
644260
-
20.7
301.297
DUMP (M+H)+
dUMP
ME206362
65063
-
0.959
308.044
SULFADIMETHOXINE (M+H)+
Sulfadimethoxine
ME206439
5323
-
9.413
310.075
SULFADIMETHOXINE (M+NA)+
Sulfadimethoxine
ME206440
5323
-
9.412
310.075
DECENOYLCARNITINE (*) (M+H)+
CAR 10:1
ME206357
57357170
-
13.843
313.226
DECANOYLCARNITINE (*) (M+H)+
CAR 10:0
ME206356
11953821
-
15.191
315.242
P-ACETAMIDOPHENYL BETA-D-GLUCURONIDE (M+NA)+
p-Acetamidophenylglucuronide
ME206418
83944
-
2.257
327.096
LEUKOTRIENE B4 (M+H)+
LTB4
ME206397
5280492
-
20.804
336.227
DODECENOYLCARNITINE (*) II M+
CAR 12:1
ME206360
53481671
-
16.733
342.264
DODECENOYLCARNITINE (*) M+
CAR 12:1
ME206361
53481671
-
16.438
342.265
LAUROYLCARNITINE (M+H)+
CAR 12:0
ME206396
168381
-
17.79
343.273
OMEPRAZOLE (M+H)+
Omeprazole
ME206416
4594
-
11.26
345.116
ADENOSINE 5'-MONOPHOSPHATE (M+H)+
AMP
ME206338
6083
-
0.921
347.062
OLEOYL-GLYCEROL (M+H)+[-H2O]
MG 18:1
ME206413
5319879
-
22.727
356.288
OLEOYL-GLYCEROL (M+NA)+
MG 18:1
ME206414
5319879
-
22.727
356.293
TETRADECADIENOYLCARNITINE (*) M+
CAR 14:2
ME206442
53481681
-
17.712
368.281
TETRADECENOYLCARNITINE (*) M+
CAR 14:1
ME206443
22833575
-
18.822
370.297
MYRISTOYLCARNITINE (*) (M+H)+
CAR 14:0
ME206402
3413344
-
19.738
371.304
RIBOFLAVIN (M+H)+
Riboflavin
ME206427
493570
-
7.687
376.141
S-ADENOSYL-L-HOMOCYSTEINE (M+H)+
S-Adenosylhomocysteine
ME206428
439155
-
1.484
384.12
DESMOSTEROL (M+H)+[-H2O]
Desmosterol
ME206358
439577
-
24.238
384.34
CHOLESTEROL (M+H)+[-H2O]
Cholesterol
ME206349
5997
-
24.615
386.356
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+H)+
bis(2-Ethylhexyl)phthalic acid
ME206341
8343
-
23.105
390.278
BIS(2-ETHYLHEXYL)PHTHALIC ACID (M+NA)+
bis(2-Ethylhexyl)phthalic acid
ME206342
8343
-
23.107
390.278
PALMITOLEYLCARNITINE (*) M+
CAR 16:1
ME206419
71464547
-
20.314
398.327
PALMITOYLCARNITINE (M+H)+
CAR 16:0
ME206420
11953816
-
21.174
399.335
CALCIDIOL (M+H)+[-H2O]
25-Hydroxyvitamin D3
ME206347
5283731
-
22.591
400.331
25-HYDROXYCHOLESTEROL (M+H)+[-H2O]
25-Hydroxycholesterol
ME206327
65094
-
22.793
402.345
EICOSATRIENOYLCARNITINE (*) M+
CAR 20:3
ME206364
87076458
-
21.174
422.323
LINOLEOYLCARNITINE (*) (M+H)+
CAR 18:2
ME206398
6450015
-
20.84
423.336
OLEOYLCARNITINE (*) (M+H)+
CAR 18:1
ME206415
6441392
-
21.389
425.352
STEAROYLCARNITINE (*) (M+H)+
CAR 18:0
ME206437
52922056
-
21.735
427.367
ALPHA-TOCOPHEROL (M+H)+
alpha-Tocopherol
ME206339
14985
-
24.582
430.381
GLYCOCHENODEOXYCHOLIC ACID (M+H)+
Glycochenodeoxycholic acid
ME206370
9548796
-
20.461
449.312
GLYCOCHENODEOXYCHOLIC ACID (M+H)+[-H2O]
Glycochenodeoxycholic acid
ME206371
9548796
-
20.46
449.315
GLYCOCHENODEOXYCHOLIC ACID (M+NA)+
Glycochenodeoxycholic acid
ME206372
9548796
-
20.46
449.315
EICOSENOYLCARNITINE (*) (M+H)+
CAR 20:1
ME206365
71464507
-
21.821
453.379
EICOSANOYLCARNITINE (*) (M+H)+
CAR 20:0
ME206363
53477833
-
22.043
455.396
GLYCOCHOLIC ACID (M+H)+[-H2O]
Glycocholic acid
ME206373
10140
-
18.817
465.309
EPIBRASSINOLIDE [ISTD] (M+H)+
24-epi-Brassinolide
ME206366
115196
-
19.979
480.346
EPIBRASSINOLIDE [ISTD] (M+NA)+
24-epi-Brassinolide
ME206367
115196
-
19.978
480.346
18:0 LYSO-PE (M+H)+
LPE 18:0
ME206324
9547068
-
22.66
481.318
TAUROLITHOCHOLIC ACID (M+H)+
Taurolithocholic acid
ME206441
439763
-
21.745
483.312
CYTIDINE 5'-DIPHOSPHOCHOLINE (M+K)+
CDP-choline
ME206355
13804
-
0.665
488.106
16:0 LYSO PC (M+H)+
LPC 16:0
ME206321
460602
-
22.266
495.334
16:0 LYSO PC (M+NA)+
LPC 16:0
ME206322
460602
-
22.301
495.334
RAFFINOSE (M+NA)+
Raffinose
ME206426
439242
-
0.66
504.16
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (M+NA)+
-
ME206344
46891735
-
23.258
643.498
16:0-18:0 PC (M+H)+
PC 16:0_18:0
ME206323
18631368
-
25.533
761.595
24:0 SM (D18:1/24:0) (M+NA)+
SM 18:1;O2/24:0
ME206326
44260127
-
27.813
814.693
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-HYDROXYBUTYRIC ACID (M-H)-
2-Hydroxybutyric acid
ME206467
11266
-
1.765
104.0476
SUCCINIC ACID (M-H)-
Succinic acid
ME206531
1110
-
1.31
118.0263
2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-
2-Hydroxy-3-methylbutyric acid
ME206466
853180
-
3.497
118.063
N-ETHYLMALEIMIDE (M-H)-
N-Ethylmaleimide
ME206515
4362
-
3.428
125.0474
2-METHYLMALEIC ACID (M-H)-
Citraconic acid
ME206468
643798
-
1.845
130.0267
3-METHYL-2-OXOPENTANOIC ACID (M-H)-
3-Methyl-2-oxovaleric acid
ME206472
440877
-
4.432
130.0633
4-METHYL-2-OXOPENTANOIC ACID (M-H)-
Ketoleucine
ME206474
70
-
4.836
130.0633
N-ACETYL-L-ALANINE (M-H)-
N-Acetylalanine
ME206514
88064
-
1.489
131.0578
OXALOACETIC ACID (M-H)-[-H2O]
Oxaloacetic acid
ME206519
970
-
0.534
132.0034
MALIC ACID (M-H)-
Malic acid
ME206509
222656
-
0.802
134.0208
SALICYLATE #2 (M-H)-
Salicylic acid
ME206528
338
-
8.295
138.0316
L-[15N]ANTHRANILIC ACID [ISTD] (M-H)-
2-Aminobenzoic acid
ME206506
227
-
5.33
138.0445
ADIPIC ACID (M-H)-
Adipic acid
ME206477
196
-
3.593
146.0581
CITRAMALIC ACID (M-H)-
Citramalic acid
ME206483
441696
-
1.401
148.037
MEVALONIC ACID (M-H)-
Mevalonic acid
ME206510
439230
-
1.557
148.0722
XANTHINE (M-H)-
Xanthine
ME206540
1188
-
1.27
152.0331
RIBITOL (M+CL)-
Ribitol
ME206525
94154
-
0.638
152.0667
3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-
3-Hydroxymethylglutaric acid
ME206471
1662
-
1.523
162.0521
2-DEOXY-D-GLUCOSE (M+CL)-
2-Deoxy-glucose
ME206465
439268
-
0.692
164.0691
PHENYLALANINE (M-H)-
Phenylalanine
ME206523
6140
-
2.468
165.0786
1-METHYLXANTHINE (M-H)-
1-Methylxanthine
ME206461
80220
-
2.493
166.0497
3-METHYLXANTHINE (M-H)-
3-Methylxanthine
ME206473
70639
-
2.429
166.0499
URIC ACID (M-H)-
Uric acid
ME206538
1175
-
0.95
168.028
TRANS-ACONITIC ACID (M-H)-
trans-Aconitic acid
ME206534
444212
-
1.198
174.0163
HIPPURIC ACID (M-H)-
Hippuric acid
ME206500
464
-
4.826
179.0583
GLUCOSE (M+CL)-
Glucose
ME206497
5793
-
0.645
180.0642
THEOPHYLLINE (M-H)-
Theophylline
ME206532
2153
-
4.438
180.0646
TYROSINE (M-H)-
Tyrosine
ME206537
6057
-
1.29
181.0727
1-METHYLURIC ACID (M-H)-
1-Methyluric acid
ME206460
69726
-
2.184
182.0436
1-METHYLURIC ACID (2M-H)-
1-Methyluric acid
ME206459
69726
-
2.192
182.0452
3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-
Hydroxyphenyllactic acid
ME206470
440177
-
3.822
182.0576
4-PYRIDOXIC ACID (M-H)-
4-Pyridoxic acid
ME206475
6723
-
1.862
183.0531
AZELAIC ACID (M-H)-
Azelaic acid
ME206479
2266
-
10.82
188.1048
ISOCITRIC ACID (M-H)-
Isocitric acid
ME206504
5318532
-
0.771
192.0266
CITRIC ACID (M-H)-
Citric acid
ME206484
311
-
1.021
192.0271
SALICYLURIC ACID (M-H)-
Salicyluric acid
ME206529
10253
-
6.266
195.053
LAURIC ACID (M-H)-
Lauric acid
ME206507
3893
-
21.781
200.1775
TRYPTOPHAN (2M-H)-
Tryptophan
ME206535
6305
-
3.565
204.088
TRYPTOPHAN (M-H)-
Tryptophan
ME206536
6305
-
3.565
204.0901
L-TRYPTOPHAN-15N2 [ISTD] (M-H)-
Tryptophan
ME206505
16217285
-
3.565
206.0845
IBUPROFEN (M-H)-
Ibuprofen
ME206502
114864
-
18.951
206.1307
GALACTARIC ACID (M-H)-
Galactaric acid
ME206496
3037582
-
0.793
210.0373
PANTOTHENIC ACID (M-H)-
Pantothenic acid
ME206522
6613
-
3.295
219.1108
ZEATIN [ISTD] (M-H)-
trans-Zeatin
ME206543
449093
-
3.839
219.1123
ZEATIN [ISTD] (M+CL)-
trans-Zeatin
ME206542
449093
-
3.839
219.1127
N-ACETYL-D-GLUCOSAMINE (M+CL)-
N-Acetyl-D-glucosamine
ME206513
446101
-
0.649
221.0918
MYRISTOLEIC ACID (M-H)-
Myristoleic acid
ME206512
5281119
-
22.073
226.1934
DEOXYURIDINE (M+CL)-
Deoxyuridine
ME206491
13712
-
1.55
228.0743
MYRISTIC ACID (M-H)-
Myristic acid
ME206511
11005
-
22.454
228.2091
NAPROXEN (M-H)-
Naproxen
ME206516
156391
-
15.814
230.0944
IBUPROFEN CARBOXYLIC ACID (M-H)-
-
ME206503
10444113
-
13.084
236.1052
URIDINE (M+CL)-
Uridine
ME206539
6029
-
1.329
244.0704
DEOXYADENOSINE (M+CL)-
Deoxyadenosine
ME206488
13730
-
1.783
251.1011
PALMITOLEIC ACID (M-H)-
Palmitoleic acid
ME206521
445638
-
22.581
254.2253
PALMITIC ACID (M-H)-
Palmitic acid
ME206520
985
-
22.842
256.2413
HEPTADECANOIC ACID (M-H)-
Margaric acid
ME206499
10465
-
23.009
270.256
LINOLEIC ACID (M-H)-
Linoleic acid
ME206508
5280450
-
22.719
280.2416
1-METHYLADENOSINE (M+CL)-
1-Methyladenosine
ME206458
27476
-
2.997
281.1122
OLEIC ACID (M-H)-
Oleic acid
ME206518
445639
-
22.922
282.2572
XANTHOSINE (M-H)-
Xanthosine
ME206541
64959
-
2.394
284.077
STEARIC ACID (M-H)-
Stearic acid
ME206530
5281
-
23.187
284.2726
ARACHIDONIC ACID (M-H)-
Arachidonic acid
ME206478
444899
-
22.705
304.2417
CIS-11-EICOSENOIC ACID (M-H)-
cis-Gondoic acid
ME206482
5282768
-
23.265
310.2879
PHYTANIC ACID (M-H)-
Phytanic acid
ME206524
10380830
-
23.275
312.3019
DOCOSAHEXAENOIC ACID (M-H)-
Docosahexaenoic acid
ME206493
445580
-
22.698
328.242
ERUCIC ACID (M-H)-
cis-Erucic acid
ME206495
5281116
-
23.675
338.3196
CORTISONE (M+CL)-
Cortisone
ME206486
222786
-
13.503
360.1946
5-HYDROXY OMEPRAZOLE (M-H)-
5-Hydroxyomeprazole
ME206476
119560
-
12.32
361.1108
CORTISOL (M+CL)-
Cortisol
ME206485
5754
-
13.924
362.2108
NERVONIC ACID (M-H)-
Nervonic acid
ME206517
5281120
-
24.203
366.3512
DEHYDROEPIANDROSTERONE SULFATE (M-H)-
Dehydroepiandrosterone sulfate
ME206487
12594
-
15.47
368.1673
RIBOFLAVIN (M+CL)-
Riboflavin
ME206526
493570
-
7.66
376.1397
S-ADENOSYL-L-HOMOCYSTEINE (M-H)-
S-Adenosylhomocysteine
ME206527
439155
-
1.49
384.1183
DEOXYCHOLIC ACID (M+CL)-
Deoxycholic acid
ME206489
222528
-
21.752
392.2934
DEOXYCHOLIC ACID (M-H)-
Deoxycholic acid
ME206490
222528
-
21.753
392.2939
HYODEOXYCHOLIC ACID (M-H)-
Hyodeoxycholic acid
ME206501
5283820
-
22.862
392.2969
CHOLIC ACID (M-H)-
Cholic acid
ME206481
221493
-
20.486
408.2881
GLYCOCHOLIC ACID (M-H)-
Glycocholic acid
ME206498
10140
-
18.994
465.3101
EPIBRASSINOLIDE [ISTD] (M+CL)-
24-epi-Brassinolide
ME206494
115196
-
19.934
480.3466
18:0 LYSO-PE (M-H)-
LPE 18:0
ME206464
9547068
-
22.659
481.3198
16:0 LYSO PC (M+CL)-
LPC 16:0
ME206462
460602
-
22.225
495.3354
BILIVERDIN (M-H)-
Biliverdin
ME206480
5280353
-
18.538
582.2496
DIPALMITOYL PHOSPHATIDYLETHANOLAMINE (M-H)-
PE 16:0/16:0
ME206492
445468
-
24.649
691.5161
16:0-18:0 PC (M+CL)-
PC 16:0_18:0
ME206463
18631368
-
25.469
761.6043
THYROXINE (M-H)-
Thyroxine
ME206533
5819
-
16.238
776.686
24:0 SM (D18:1/24:0) (M+CL)-
SM 18:1;O2/24:0
ME206469
44260127
-
27.832
814.6935
Analysis: C18 NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CerP 32:1; [M-H]-@5.11
CerP 32:1;O2
ME206544
-
-
5.11
-
CerP 34:1; [M-H]-@5.83
CerP 34:1;O2
ME206545
-
-
5.83
-
CerP 34:2; [M-H]-@5.29
CerP 34:2;O2
ME206546
-
-
5.29
-
FFA(16:0)
Palmitic acid
ME206547
-
-
-
-
FFA(18:0)
Stearic acid
ME206548
5281
-
-
-
FFA(18:1)
Octadecenoic acid
ME206549
-
-
-
-
FFA(18:2)
Octadecadienoic acid
ME206550
-
-
-
-
FFA(20:0)
Arachidic acid
ME206551
10467
-
-
-
FFA(20:1)
Heneicosenoic acid
ME206552
-
-
-
-
FFA(20:2)
Eicosadienoic acid
ME206553
-
-
-
-
FFA(20:4) Arachidonic acid
Arachidonic acid
ME206554
-
-
-
-
FFA(22:0)
Behenic acid
ME206555
8215
-
-
-
FFA(22:1)
Docosenoic acid
ME206556
-
-
-
-
FFA(22:2)
Docosadienoic acid
ME206557
-
-
-
-
FFA(22:3)
Docosatrienoic acid
ME206558
-
-
-
-
FFA(24:0)
Lignoceric acid
ME206559
11197
-
-
-
FFA(24:1)
Tetracosenoic acid
ME206560
-
-
-
-
FFA(24:2)
Tetracosadienoic acid
ME206561
-
-
-
-
FFA(24:3)
Tetracosatrienoic acid
ME206562
52921854
-
-
-
lysoPE 16:0; [M-H]-@1.66
LPE 16:0
ME206651
-
-
1.66
-
lysoPE 18:0; [M-H]-@2.42
LPE 18:0
ME206652
-
-
2.42
-
lysoPE 18:1; [M-H]-@1.82
LPE 18:1
ME206653
-
-
1.82
-
lysoPE 18:2; [M-H]-@1.37
LPE 18:2
ME206654
-
-
1.37
-
lysoPE 20:3; [M-H]-@1.63
LPE 20:3
ME206655
-
-
1.63
-
lysoPE 20:4; [M-H]-@1.34
LPE 20:4
ME206656
-
-
1.34
-
lysoPE 22:5; [M-H]-@1.64
LPE 22:5
ME206657
-
-
1.64
-
lysoPE 22:6; [M-H]-@1.28
LPE 22:6
ME206658
-
-
1.28
-
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.46
Cer 18:1;O2/24:1
ME206563
5283568
-
8.46
-
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.83
Cer 18:1;O2/16:0
ME206564
5283564
-
6.83
-
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.90
Cer 18:1;O2/24:0
ME206565
5283571
-
8.9
-
PA 34:2; [M-H]-@6.26
PA 34:2
ME206566
-
-
6.26
-
PC 30:1; [M-Ac-H]-@5.42
PC 30:1
ME206567
-
-
5.42
-
PC 32:0; [M-Ac-H]-@6.62
PC 32:0
ME206568
-
-
6.62
-
PC 32:1; [M-Ac-H]-@6.10
PC 32:1
ME206569
-
-
6.1
-
PC 32:2; [M-Ac-H]-@5.59
PC 32:2
ME206570
-
-
5.59
-
PC 33:1; [M-Ac-H]-@6.43
PC 33:1
ME206571
-
-
6.43
-
PC 33:2; [M-Ac-H]-@5.98
PC 33:2
ME206572
-
-
5.98
-
PC 34:1; [M-Ac-H]-@6.65
PC 34:1
ME206573
-
-
6.65
-
PC 34:2; [M-Ac-H]-@6.21
PC 34:2
ME206574
-
-
6.21
-
PC 34:3; [M-Ac-H]-@5.76
PC 34:3
ME206575
-
-
5.76
-
PC 34:4; [M-Ac-H]-@5.53
PC 34:4
ME206576
-
-
5.53
-
PC 34:5; [M-Ac-H]-@5.14
PC 34:5
ME206577
-
-
5.14
-
PC 35:1; [M-Ac-H]-@7.04
PC 35:1
ME206578
-
-
7.04
-
PC 35:2; [M-Ac-H]-@6.56
PC 35:2
ME206579
-
-
6.56
-
PC 35:3; [M-Ac-H]-@6.10
PC 35:3
ME206580
-
-
6.1
-
PC 35:5; [M-Ac-H]-@5.51
PC 35:5
ME206581
-
-
5.51
-
PC 36:1; [M-Ac-H]-@7.27
PC 36:1
ME206582
-
-
7.27
-
PC 36:2; [M-Ac-H]-@6.85
PC 36:2
ME206583
-
-
6.85
-
PC 36:3; [M-Ac-H]-@6.40
PC 36:3
ME206584
-
-
6.4
-
PC 36:4; [M-Ac-H]-@6.09
PC 36:4
ME206585
-
-
6.09
-
PC 36:5; [M-Ac-H]-@5.68
PC 36:5
ME206586
-
-
5.68
-
PC 36:6; [M-Ac-H]-@5.48
PC 36:6
ME206587
-
-
5.48
-
PC 37:2; [M-Ac-H]-@7.22
PC 37:2
ME206588
-
-
7.22
-
PC 37:4; [M-Ac-H]-@6.51
PC 37:4
ME206589
-
-
6.51
-
PC 37:6; [M-Ac-H]-@5.79
PC 37:6
ME206590
-
-
5.79
-
PC 38:2; [M-Ac-H]-@7.45
PC 38:2
ME206591
-
-
7.45
-
PC 38:3; [M-Ac-H]-@7.08
PC 38:3
ME206592
-
-
7.08
-
PC 38:4; [M-Ac-H]-@6.73
PC 38:4
ME206593
-
-
6.73
-
PC 38:5; [M-Ac-H]-@6.37
PC 38:5
ME206594
-
-
6.37
-
PC 38:6; [M-Ac-H]-@6.01
PC 38:6
ME206595
-
-
6.01
-
PC 38:7; [M-Ac-H]-@5.51
PC 38:7
ME206596
-
-
5.51
-
PC 39:5; [M-Ac-H]-@6.61
PC 39:5
ME206597
-
-
6.61
-
PC 39:6; [M-Ac-H]-@6.40
PC 39:6
ME206598
-
-
6.4
-
PC 40:3; [M-Ac-H]-@7.51
PC 40:3
ME206599
-
-
7.51
-
PC 40:4; [M-Ac-H]-@7.31
PC 40:4
ME206600
-
-
7.31
-
PC 40:5; [M-Ac-H]-@7.06
PC 40:5
ME206601
-
-
7.06
-
PC 40:6; [M-Ac-H]-@6.69
PC 40:6
ME206602
-
-
6.69
-
PC 40:7; [M-Ac-H]-@6.22
PC 40:7
ME206603
-
-
6.22
-
PC 40:8; [M-Ac-H]-@5.79
PC 40:8
ME206604
-
-
5.79
-
PC 42:10; [M-Ac-H]-@5.71
PC 42:10
ME206605
-
-
5.71
-
PE 32:1; [M-H]-@6.23
PE 32:1
ME206606
-
-
6.23
-
PE 33:1; [M-H]-@6.53
PE 33:1
ME206607
-
-
6.53
-
PE 33:2; [M-H]-@6.05
PE 33:2
ME206608
-
-
6.05
-
PE 34:1; [M-H]-@6.84
PE 34:1
ME206609
-
-
6.84
-
PE 34:3; [M-H]-@5.95
PE 34:3
ME206610
-
-
5.95
-
PE 35:1; [M-H]-@7.07
PE 35:1
ME206611
-
-
7.07
-
PE 35:2; [M-H]-@6.68
PE 35:2
ME206612
-
-
6.68
-
PE 35:4; [M-H]-@6.04
PE 35:4
ME206613
-
-
6.04
-
PE 36:0; [M-H]-@7.84
PE 36:0
ME206614
-
-
7.84
-
PE 36:1; [M-H]-@7.42
PE 36:1
ME206615
-
-
7.42
-
PE 36:2; [M-H]-@6.97
PE 36:2
ME206616
-
-
6.97
-
PE 36:3; [M-H]-@6.53
PE 36:3
ME206617
-
-
6.53
-
PE 36:4; [M-H]-@6.21
PE 36:4
ME206618
-
-
6.21
-
PE 36:5; [M-H]-@5.94
PE 36:5
ME206619
-
-
5.94
-
PE 36:6; [M-H]-@5.60
PE 36:6
ME206620
-
-
5.6
-
PE 37:3; [M-H]-@6.86
PE 37:3
ME206621
-
-
6.86
-
PE 37:5; [M-H]-@6.14
PE 37:5
ME206622
-
-
6.14
-
PE 37:6; [M-H]-@5.94
PE 37:6
ME206623
-
-
5.94
-
PE 38:2; [M-H]-@7.50
PE 38:2
ME206624
-
-
7.5
-
PE 38:3; [M-H]-@7.22
PE 38:3
ME206625
-
-
7.22
-
PE 38:4; [M-H]-@6.93
PE 38:4
ME206626
-
-
6.93
-
PE 38:5; [M-H]-@6.51
PE 38:5
ME206627
-
-
6.51
-
PE 38:6; [M-H]-@6.11
PE 38:6
ME206628
-
-
6.11
-
PE 38:7; [M-H]-@5.73
PE 38:7
ME206629
-
-
5.73
-
PE 39:4; [M-H]-@7.24
PE 39:4
ME206630
-
-
7.24
-
PE 39:6; [M-H]-@6.49
PE 39:6
ME206631
-
-
6.49
-
PE 40:4; [M-H]-@7.40
PE 40:4
ME206632
-
-
7.4
-
PE 40:5; [M-H]-@7.14
PE 40:5
ME206633
-
-
7.14
-
PE 40:6; [M-H]-@6.88
PE 40:6
ME206634
-
-
6.88
-
PE 40:7; [M-H]-@6.36
PE 40:7
ME206635
-
-
6.36
-
PE 40:8; [M-H]-@5.91
PE 40:8
ME206636
-
-
5.91
-
PG 33:0; [M-H]-@6.08
PG 33:0
ME206637
-
-
6.08
-
PG 36:0; [M-H]-@6.92
PG 36:0
ME206638
-
-
6.92
-
PG 36:1; [M-H]-@6.45
PG 36:1
ME206639
-
-
6.45
-
PG 36:2; [M-H]-@6.02
PG 36:2
ME206640
-
-
6.02
-
PI 34:2; [M-H]-@5.30
PI 34:2
ME206641
-
-
5.3
-
PI 36:1; [M-H]-@6.34
PI 36:1
ME206642
-
-
6.34
-
PI 36:2; [M-H]-@5.93
PI 36:2
ME206643
-
-
5.93
-
PI 36:4; [M-H]-@5.27
PI 36:4
ME206644
-
-
5.27
-
PI 38:3; [M-H]-@6.15
PI 38:3
ME206645
-
-
6.15
-
PI 38:4; [M-H]-@5.91
PI 38:4
ME206646
-
-
5.91
-
PI 38:5; [M-H]-@5.38
PI 38:5
ME206647
-
-
5.38
-
PI 40:5; [M-H]-@5.98
PI 40:5
ME206648
-
-
5.98
-
PI 40:6; [M-H]-@5.83
PI 40:6
ME206649
-
-
5.83
-
plasmenyl-PE 32:1; [M-H]-@6.59
PE P-32:1
ME206659
-
-
6.59
-
plasmenyl-PE 34:0; [M-H]-@7.20
PE P-34:0
ME206660
-
-
7.2
-
plasmenyl-PE 34:1; [M-H]-@7.15
PE P-34:1
ME206661
-
-
7.15
-
plasmenyl-PE 34:3; [M-H]-@6.30
PE P-34:3
ME206662
-
-
6.3
-
plasmenyl-PE 36:1; [M-H]-@7.71
PE P-36:1
ME206663
-
-
7.71
-
plasmenyl-PE 36:3; [M-H]-@6.90
PE P-36:3
ME206664
-
-
6.9
-
plasmenyl-PE 36:5; [M-H]-@6.27
PE P-36:5
ME206665
-
-
6.27
-
plasmenyl-PE 38:1; [M-H]-@8.22
PE P-38:1
ME206666
-
-
8.22
-
plasmenyl-PE 38:2; [M-H]-@7.84
PE P-38:2
ME206667
-
-
7.84
-
plasmenyl-PE 38:3; [M-H]-@7.51
PE P-38:3
ME206668
-
-
7.51
-
plasmenyl-PE 38:4; [M-H]-@7.21
PE P-38:4
ME206669
-
-
7.21
-
plasmenyl-PE 38:5; [M-H]-@6.74
PE P-38:5
ME206670
-
-
6.74
-
plasmenyl-PE 38:6; [M-H]-@6.51
PE P-38:6
ME206671
-
-
6.51
-
plasmenyl-PE 40:3; [M-H]-@8.01
PE P-40:3
ME206672
-
-
8.01
-
plasmenyl-PE 40:4; [M-H]-@7.72
PE P-40:4
ME206673
-
-
7.72
-
plasmenyl-PE 40:6; [M-H]-@7.17
PE P-40:6
ME206674
-
-
7.17
-
plasmenyl-PE 42:5; [M-H]-@7.85
PE P-42:5
ME206675
-
-
7.85
-
plasmenyl-PE 42:6; [M-H]-@7.74
PE P-42:6
ME206676
-
-
7.74
-
PS 38:4; [M-H]-@6.03
PS 38:4
ME206650
-
-
6.03
-
Analysis: C18 POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CE(16:0); [M+NH4]+@10.92
CE 16:0
ME206677
246520
-
10.92
-
CE(16:1); [M+NH4]+@10.64
CE 16:1
ME206678
-
-
10.64
-
CE(17:1); [M+NH4]+@10.81
CE 17:1
ME206679
24779603
-
10.81
-
CE(18:0); [M+NH4]+@11.26
CE 18:0
ME206680
118246
-
11.26
-
CE(18:1); [M+NH4]+@10.86
CE 18:1
ME206681
5283632
-
10.86
-
CE(18:2); [M+NH4]+@10.71
CE 18:2
ME206682
5287939
-
10.71
-
CE(18:3); [M+NH4]+@10.44
CE 18:3
ME206683
6436907
-
10.44
-
CE(20:3); [M+NH4]+@10.70
CE 20:3
ME206684
14274976
-
10.7
-
CE(20:4); [M+NH4]+@10.49
CE 20:4
ME206685
6479222
-
10.49
-
CE(20:5); [M+NH4]+@10.32
CE 20:5
ME206686
10372299
-
10.32
-
CE(22:4); [M+NH4]+@10.82
CE 22:4
ME206687
16061341
-
10.82
-
CE(22:5); [M+NH4]+@10.64
CE 22:5
ME206688
42608400
-
10.64
-
CE(22:6); [M+NH4]+@10.43
CE 22:6
ME206689
14274978
-
10.43
-
DG 30:0; [M+NH4]+@7.35
DG 30:0
ME206690
-
-
7.35
-
DG 30:1; [M+NH4]+@6.87
DG 30:1
ME206691
-
-
6.87
-
DG 32:0; [M+NH4]+@7.88
DG 32:0
ME206692
-
-
7.88
-
DG 32:1; [M+NH4]+@7.44
DG 32:1
ME206693
-
-
7.44
-
DG 32:2; [M+NH4]+@7.02
DG 32:2
ME206694
-
-
7.02
-
DG 33:0; [M+NH4]+@8.06
DG 33:0
ME206695
-
-
8.06
-
DG 33:1; [M+NH4]+@7.77
DG 33:1
ME206696
-
-
7.77
-
DG 34:0; [M+NH4]+@8.38
DG 34:0
ME206697
-
-
8.38
-
DG 34:2; [M+NH4]+@7.52
DG 34:2
ME206698
-
-
7.52
-
DG 34:3; [M+NH4]+@7.13
DG 34:3
ME206699
-
-
7.13
-
DG 34:4; [M+NH4]+@6.77
DG 34:4
ME206700
-
-
6.77
-
DG 35:1; [M+NH4]+@8.17
DG 35:1
ME206701
-
-
8.17
-
DG 35:2; [M+NH4]+@7.79
DG 35:2
ME206702
-
-
7.79
-
DG 36:0; [M+NH4]+@8.84
DG 36:0
ME206703
-
-
8.84
-
DG 36:1; [M+NH4]+@8.44
DG 36:1
ME206704
-
-
8.44
-
DG 36:2; [M+NH4]+@8.06
DG 36:2
ME206705
-
-
8.06
-
DG 36:3; [M+NH4]+@7.63
DG 36:3
ME206706
-
-
7.63
-
DG 36:4; [M+NH4]+@7.28
DG 36:4
ME206707
-
-
7.28
-
DG 36:5; [M+NH4]+@6.94
DG 36:5
ME206708
-
-
6.94
-
DG 38:1; [M+NH4]+@8.77
DG 38:1
ME206709
-
-
8.77
-
DG 38:2; [M+NH4]+@8.52
DG 38:2
ME206710
-
-
8.52
-
DG 38:3; [M+NH4]+@8.14
DG 38:3
ME206711
-
-
8.14
-
DG 38:4; [M+NH4]+@7.92
DG 38:4
ME206712
-
-
7.92
-
DG 38:5; [M+NH4]+@7.54
DG 38:5
ME206713
-
-
7.54
-
DG 38:6; [M+NH4]+@7.21
DG 38:6
ME206714
-
-
7.21
-
DG 38:7; [M+NH4]+@6.80
DG 38:7
ME206715
-
-
6.8
-
DG 40:5; [M+NH4]+@8.00
DG 40:5
ME206716
-
-
8
-
DG 40:6; [M+NH4]+@7.65
DG 40:6
ME206717
-
-
7.65
-
DG 40:7; [M+NH4]+@7.40
DG 40:7
ME206718
-
-
7.4
-
DG 42:10; [M+NH4]+@7.05
DG 42:10
ME206719
-
-
7.05
-
lysoPC 14:0; [M+H]+@1.06
LPC 14:0
ME206835
-
-
1.06
-
lysoPC 15:0; [M+H]+@1.26
LPC 15:0
ME206836
24779458
-
1.26
-
lysoPC 16:0; [M+H]+@1.57
LPC 16:0
ME206837
-
-
1.57
-
lysoPC 16:1; [M+H]+@1.29
LPC 16:1
ME206838
-
-
1.29
-
lysoPC 17:1; [M+H]+@1.49
LPC 17:1
ME206839
-
-
1.49
-
lysoPC 18:0; [M+H]+@2.38
LPC 18:0
ME206840
-
-
2.38
-
lysoPC 18:1; [M+H]+@1.74
LPC 18:1
ME206841
-
-
1.74
-
lysoPC 18:2; [M+H]+@1.33
LPC 18:2
ME206842
-
-
1.33
-
lysoPC 18:3; [M+H]+@1.09
LPC 18:3
ME206843
-
-
1.09
-
lysoPC 19:0; [M+H]+@2.86
LPC 19:0
ME206844
24779472
-
2.86
-
lysoPC 20:0; [M+H]+@3.31
LPC 20:0
ME206845
24779473
-
3.31
-
lysoPC 20:1; [M+H]+@2.52
LPC 20:1
ME206846
-
-
2.52
-
lysoPC 20:3; [M+Na]+@1.45
LPC 20:3
ME206847
-
-
1.45
-
lysoPC 20:4; [M+Na]+@1.42
LPC 20:4
ME206848
-
-
1.42
-
lysoPC 20:5; [M+H]+@1.05
LPC 20:5
ME206849
11757087
-
1.05
-
lysoPC 22:4; [M+H]+@1.83
LPC 22:4
ME206850
52924039
-
1.83
-
lysoPC 22:5; [M+H]+@1.46
LPC 22:5
ME206851
-
-
1.46
-
lysoPC 22:6; [M+H]+@1.34
LPC 22:6
ME206852
10415542
-
1.34
-
lysoPC 24:0; [M+H]+@5.11
LPC 24:0
ME206853
24779481
-
5.11
-
MG 17:0; [M+Li]+@3.18
MG 17:0
ME206720
107036
-
3.18
-
PC 30:0; [M+Na]+@5.98
PC 30:0
ME206721
-
-
5.98
-
PC 33:3; [M+H]+@5.50
PC 33:3
ME206722
-
-
5.5
-
PC 40:9; [M+H]+@5.41
PC 40:9
ME206723
-
-
5.41
-
PC 42:8; [M+H]+@6.39
PC 42:8
ME206724
-
-
6.39
-
PC 44:4; [M+H]+@8.51
PC 44:4
ME206725
-
-
8.51
-
PE 34:2; [M+H]+@6.36
PE 34:2
ME206726
-
-
6.36
-
PE 37:4; [M+H]+@6.68
PE 37:4
ME206727
-
-
6.68
-
plasmenyl-PC 18:0; [M+Na]+@1.80
PC P-18:0
ME206854
-
-
1.8
-
plasmenyl-PC 44:4; [M+Na]+@8.24
PC P-44:4
ME206855
-
-
8.24
-
plasmenyl-PE 34:2; [M+H]+@6.72
PE P-34:2
ME206856
-
-
6.72
-
plasmenyl-PE 36:2; [M+H]+@7.27
PE P-36:2
ME206857
-
-
7.27
-
plasmenyl-PE 36:4; [M+H]+@6.63
PE P-36:4
ME206858
-
-
6.63
-
plasmenyl-PE 40:5; [M+H]+@7.43
PE P-40:5
ME206859
-
-
7.43
-
SM 29:1; [M]+@3.95
SM 18:1;O2/29:1
ME206728
-
-
3.95
-
SM 30:0; [M]+@4.64
SM 30:0;O2
ME206729
46891775
-
4.64
-
SM 30:1; [M+Na]+@4.37
SM 30:1;O2
ME206730
-
-
4.37
-
SM 31:1; [M]+@4.74
SM 31:1;O2
ME206731
-
-
4.74
-
SM 32:1; [M]+@5.08
SM 32:1;O2
ME206732
11433862
-
5.08
-
SM 32:2; [M+Na]+@4.45
SM 32:2;O2
ME206733
-
-
4.45
-
SM 33:1; [M+Na]+@5.51
SM 33:1;O2
ME206734
52931139
-
5.51
-
SM 33:2; [M]+@5.01
SM 33:2;O2
ME206735
-
-
5.01
-
SM 34:1; [M]+@5.77
SM 34:1;O2
ME206736
-
-
5.77
-
SM 34:2; [M]+@5.23
SM 34:2;O2
ME206737
-
-
5.23
-
SM 35:1; [M]+@5.76
SM 35:1;O2
ME206738
-
-
5.76
-
SM 35:2; [M+Na]+@5.66
SM 35:2;O2
ME206739
-
-
5.66
-
SM 36:1; [M+Na]+@6.55
SM 36:1;O2
ME206740
44260139
-
6.55
-
SM 36:2; [M]+@5.96
SM 36:2;O2
ME206741
-
-
5.96
-
SM 37:0; [M]+@6.83
SM 37:0;O2
ME206742
-
-
6.83
-
SM 37:1; [M]+@6.85
SM 37:1;O2
ME206743
-
-
6.85
-
SM 37:2; [M]+@6.36
SM 37:2;O2
ME206744
-
-
6.36
-
SM 38:1; [M]+@8.05
SM 38:1;O2
ME206745
-
-
8.05
-
SM 39:1; [M+Na]+@7.50
SM 39:1;O2
ME206746
-
-
7.5
-
SM 39:2; [M]+@6.98
SM 39:2;O2
ME206747
-
-
6.98
-
SM 40:1; [M+Na]+@7.68
SM 40:1;O2
ME206748
-
-
7.68
-
SM 40:2; [M]+@6.75
SM 40:2;O2
ME206749
-
-
6.75
-
SM 40:4; [M]+@6.31
SM 40:4;O2
ME206750
-
-
6.31
-
SM 41:1; [M+Na]+@8.00
SM 41:1;O2
ME206751
-
-
8
-
SM 41:2; [M]+@7.31
SM 41:2;O2
ME206752
-
-
7.31
-
SM 41:4; [M]+@6.58
SM 41:4;O2
ME206753
-
-
6.58
-
SM 41:5; [M]+@6.65
SM 41:5;O2
ME206754
-
-
6.65
-
SM 42:1; [M]+@8.19
SM 42:1;O2
ME206755
44260133
-
8.19
-
SM 42:2; [M]+@7.64
SM 42:2;O2
ME206756
-
-
7.64
-
SM 42:4; [M]+@6.86
SM 42:4;O2
ME206757
-
-
6.86
-
SM 42:5; [M]+@6.50
SM 42:5;O2
ME206758
-
-
6.5
-
SM 43:1; [M+Na]+@8.41
SM 43:1;O2
ME206759
-
-
8.41
-
SM 43:2; [M]+@8.17
SM 43:2;O2
ME206760
-
-
8.17
-
SM 44:1; [M]+@8.73
SM 44:1;O2
ME206761
-
-
8.73
-
SM 44:2; [M]+@8.21
SM 44:2;O2
ME206762
-
-
8.21
-
TG 40:0; [M+NH4]+@9.44
TG 40:0
ME206763
-
-
9.44
-
TG 42:0; [M+NH4]+@9.73
TG 42:0
ME206764
-
-
9.73
-
TG 42:1; [M+NH4]+@9.47
TG 42:1
ME206765
-
-
9.47
-
TG 44:1; [M+NH4]+@9.76
TG 44:1
ME206766
-
-
9.76
-
TG 44:2; [M+NH4]+@9.49
TG 44:2
ME206767
-
-
9.49
-
TG 46:0; [M+NH4]+@10.27
TG 46:0
ME206768
-
-
10.27
-
TG 46:1; [M+NH4]+@10.03
TG 46:1
ME206769
-
-
10.03
-
TG 46:2; [M+NH4]+@9.79
TG 46:2
ME206770
-
-
9.79
-
TG 48:0; [M+NH4]+@10.53
TG 48:0
ME206771
-
-
10.53
-
TG 48:1; [M+NH4]+@10.28
TG 48:1
ME206772
-
-
10.28
-
TG 48:2; [M+NH4]+@10.06
TG 48:2
ME206773
-
-
10.06
-
TG 48:3; [M+NH4]+@9.84
TG 48:3
ME206774
-
-
9.84
-
TG 49:0; [M+NH4]+@10.67
TG 49:0
ME206775
-
-
10.67
-
TG 49:1; [M+NH4]+@10.46
TG 49:1
ME206776
-
-
10.46
-
TG 49:2; [M+NH4]+@10.23
TG 49:2
ME206777
-
-
10.23
-
TG 50:0; [M+NH4]+@10.75
TG 50:0
ME206778
-
-
10.75
-
TG 50:1; [M+NH4]+@10.52
TG 50:1
ME206779
-
-
10.52
-
TG 50:2; [M+NH4]+@10.30
TG 50:2
ME206780
-
-
10.3
-
TG 50:3; [M+NH4]+@10.10
TG 50:3
ME206781
-
-
10.1
-
TG 50:4; [M+NH4]+@9.89
TG 50:4
ME206782
-
-
9.89
-
TG 50:5; [M+NH4]+@9.70
TG 50:5
ME206783
-
-
9.7
-
TG 51:1; [M+NH4]+@10.69
TG 51:1
ME206784
-
-
10.69
-
TG 51:2; [M+NH4]+@10.50
TG 51:2
ME206785
-
-
10.5
-
TG 51:3; [M+NH4]+@10.29
TG 51:3
ME206786
-
-
10.29
-
TG 52:0; [M+NH4]+@11.02
TG 52:0
ME206787
-
-
11.02
-
TG 52:1; [M+NH4]+@10.76
TG 52:1
ME206788
-
-
10.76
-
TG 52:2; [M+NH4]+@10.55
TG 52:2
ME206789
-
-
10.55
-
TG 52:3; [M+NH4]+@10.37
TG 52:3
ME206790
-
-
10.37
-
TG 52:4; [M+NH4]+@10.18
TG 52:4
ME206791
-
-
10.18
-
TG 52:5; [M+NH4]+@10.00
TG 52:5
ME206792
-
-
10
-
TG 52:6; [M+NH4]+@9.77
TG 52:6
ME206793
-
-
9.77
-
TG 52:7; [M+NH4]+@9.59
TG 52:7
ME206794
-
-
9.59
-
TG 53:0; [M+NH4]+@11.13
TG 53:0
ME206795
-
-
11.13
-
TG 53:1; [M+NH4]+@10.91
TG 53:1
ME206796
-
-
10.91
-
TG 53:2; [M+NH4]+@10.73
TG 53:2
ME206797
-
-
10.73
-
TG 53:3; [M+NH4]+@10.52
TG 53:3
ME206798
-
-
10.52
-
TG 53:4; [M+NH4]+@10.34
TG 53:4
ME206799
-
-
10.34
-
TG 53:5; [M+NH4]+@10.14
TG 53:5
ME206800
-
-
10.14
-
TG 54:0; [M+NH4]+@11.25
TG 54:0
ME206801
-
-
11.25
-
TG 54:1; [M+NH4]+@11.04
TG 54:1
ME206802
-
-
11.04
-
TG 54:2; [M+NH4]+@10.82
TG 54:2
ME206803
-
-
10.82
-
TG 54:3; [M+NH4]+@10.62
TG 54:3
ME206804
-
-
10.62
-
TG 54:4; [M+NH4]+@10.41
TG 54:4
ME206805
-
-
10.41
-
TG 54:5; [M+NH4]+@10.20
TG 54:5
ME206806
-
-
10.2
-
TG 54:6; [M+NH4]+@10.06
TG 54:6
ME206807
-
-
10.06
-
TG 54:7; [M+NH4]+@9.89
TG 54:7
ME206808
-
-
9.89
-
TG 54:8; [M+NH4]+@9.68
TG 54:8
ME206809
-
-
9.68
-
TG 55:3; [M+NH4]+@10.75
TG 55:3
ME206810
-
-
10.75
-
TG 56:2; [M+NH4]+@11.07
TG 56:2
ME206811
-
-
11.07
-
TG 56:3; [M+NH4]+@10.87
TG 56:3
ME206812
-
-
10.87
-
TG 56:4; [M+NH4]+@10.70
TG 56:4
ME206813
-
-
10.7
-
TG 56:5; [M+NH4]+@10.53
TG 56:5
ME206814
-
-
10.53
-
TG 56:6; [M+NH4]+@10.34
TG 56:6
ME206815
-
-
10.34
-
TG 56:7; [M+NH4]+@10.19
TG 56:7
ME206816
-
-
10.19
-
TG 56:8; [M+NH4]+@10.01
TG 56:8
ME206817
-
-
10.01
-
TG 56:9; [M+NH4]+@9.81
TG 56:9
ME206818
-
-
9.81
-
TG 57:9; [M+NH4]+@9.96
TG 57:9
ME206819
-
-
9.96
-
TG 58:10; [M+NH4]+@9.90
TG 58:10
ME206821
-
-
9.9
-
TG 58:11; [M+NH4]+@9.75
TG 58:11
ME206822
-
-
9.75
-
TG 58:12; [M+NH4]+@9.57
TG 58:12
ME206823
-
-
9.57
-
TG 58:1; [M+NH4]+@11.51
TG 58:1
ME206820
-
-
11.51
-
TG 58:2; [M+NH4]+@11.29
TG 58:2
ME206824
-
-
11.29
-
TG 58:3; [M+NH4]+@11.10
TG 58:3
ME206825
-
-
11.1
-
TG 58:4; [M+NH4]+@10.89
TG 58:4
ME206826
-
-
10.89
-
TG 58:5; [M+NH4]+@10.77
TG 58:5
ME206827
-
-
10.77
-
TG 58:6; [M+NH4]+@10.57
TG 58:6
ME206828
-
-
10.57
-
TG 58:7; [M+NH4]+@10.48
TG 58:7
ME206829
-
-
10.48
-
TG 58:8; [M+NH4]+@10.24
TG 58:8
ME206830
-
-
10.24
-
TG 58:9; [M+NH4]+@10.11
TG 58:9
ME206831
-
-
10.11
-
TG 60:11; [M+NH4]+@10.08
TG 60:11
ME206832
-
-
10.08
-
TG 60:12; [M+NH4]+@9.87
TG 60:12
ME206833
-
-
9.87
-
TG 60:13; [M+NH4]+@9.66
TG 60:13
ME206834
-
-
9.66
-
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