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Return to study ST002915 main page
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
lysine-13C6
Lysine
ME759339
-
-
0.56
151.118224
histidine-13C6
Histidine
ME759345
-
-
0.57
160.086624
histidine
Histidine
ME759342
-
-
0.59
154.062224
serine
Serine
ME759306
-
-
0.59
104.035524
oxaloacetate
Oxaloacetic acid
ME759317
-
-
0.6
130.998624
serine-13C3
Serine
ME759307
-
-
0.6
107.047224
alanine-13C3
Alanine
ME759302
-
-
0.61
91.050824
aspartate
Aspartic acid
ME759319
-
-
0.61
132.030624
glutamine
Glutamine
ME759331
-
-
0.61
145.062124
taurine
Taurine
ME759314
-
-
0.61
124.008124
asparagine-15N2
Asparagine
ME759321
-
-
0.62
133.036624
glutamine-13C5
Glutamine
ME759335
-
-
0.62
150.078424
threonine
Threonine
ME759311
-
-
0.63
118.051324
glutamate-13C5
Glutamic acid
ME759338
-
-
0.64
151.062724
aspartate-13C4
Aspartic acid
ME759323
-
-
0.68
136.044724
threonine-13C4
Threonine
ME759313
-
-
0.68
122.064624
glutamate
Glutamic acid
ME759333
-
-
0.69
146.046024
lactate-13C3
Lactic acid
ME759303
-
-
0.75
92.035324
malate-13C4
Malic acid
ME759329
-
-
0.75
137.028724
maleate
Maleic acid
ME759308
-
-
0.77
115.004324
malate
Malic acid
ME759320
-
-
0.86
133.014824
N-methylaspartate
N-Methyl-D-aspartic acid
ME759332
-
-
0.92
146.045924
valine-13C5
Valine
ME759312
-
-
0.95
121.088624
glycochenodeoxycholate
Glycochenodeoxycholic acid
ME759443
-
-
10.05
448.305524
FA(12:2)
Dodecadienoic acid
ME759371
-
-
10.06
195.139024
cholate
Cholic acid
ME759438
-
-
10.1
407.280024
omega-muricholate
omega-Muricholic acid
ME759437
-
-
10.1
407.279824
glycodeoxycholate
Glycodeoxycholic acid
ME759444
-
-
10.19
448.305524
taurocholate
Taurocholic acid
ME759459
-
-
10.31
514.285224
FA(16:0-COOH)
Heptadecanedioic acid
ME759404
-
-
10.34
285.206624
FA(12:1)
Dodecenoic acid
ME759373
-
-
10.35
197.154224
lactate
Lactic acid
ME759301
-
-
1.05
89.024624
FA(14:0-OH)
Hydroxytetradecanoic acid
ME759390
-
-
10.55
243.196324
edetate
Edetic acid
ME759405
-
-
1.06
291.083424
chenodeoxycholate
Chenodeoxycholic acid
ME759429
-
-
10.61
391.284124
lithocholate glycine conjugate
Glycolithocholic acid
ME759441
-
-
10.62
432.311924
sphingosine-1P (C18)
Sphingosine 1-phosphate
ME759428
-
-
10.66
378.241224
deoxycholate
Deoxycholic acid
ME759432
-
-
10.67
391.284724
FA(14:2)
Tetradecadienoic acid
ME759383
-
-
10.68
223.170124
FA(12:0)
Lauric acid
ME759374
-
-
10.74
199.170124
FA(14:1)
Tetradecenoic acid
ME759384
-
-
10.94
225.185824
cis-aconitate
cis-Aconitic acid
ME759354
-
-
1.1
173.009124
lithocholate
Lithocholic acid
ME759427
-
-
11.07
375.290424
FA(16:0-OH)
Hydroxyhexadecanoic acid
ME759397
-
-
11.08
271.227624
FA(18:4)
Octadecatetraenoic acid
ME759398
-
-
11.09
275.201124
citric acid-13C6
Citric acid
ME759372
-
-
1.11
197.039724
retinoate
Retinoic acid
ME759407
-
-
11.11
299.201524
FA(14:0)
Myristic acid
ME759386
-
-
11.25
227.201824
FA(20:5(5Z,8Z,11Z,14Z,17Z)))
DPA
ME759408
-
-
11.28
301.217824
FA(18:3)
Octadecatrienoic acid
ME759399
-
-
11.3
277.217824
FA(16:1)
Hexadecenoic acid
ME759391
-
-
11.37
253.217724
FA(15:0)
Pentadecylic acid
ME759388
-
-
11.44
241.217024
FA(22:6(4Z,7Z,10Z,16Z,19Z))
DHA
ME759414
-
-
11.46
327.233524
FA(20:4)
Arachidonic acid
ME759409
-
-
11.48
303.233524
taurolithocholate
Taurolithocholic acid
ME759450
-
-
11.49
482.294524
FA(18:2)
Octadecadienoic acid
ME759400
-
-
11.5
279.233524
FA(22:5)
Docosapentaenoic acid
ME759415
-
-
11.58
329.249124
FA(16:0)
Palmitic acid
ME759392
-
-
11.64
255.233524
FA(20:3)
Eicosatrienoic acid
ME759410
-
-
11.64
305.248924
AMP
AMP
ME759420
-
-
1.17
346.054524
FA(18:1)
Octadecenoic acid
ME759401
-
-
11.72
281.249224
FA(22:4)
Docosatetraenoic acid
ME759416
-
-
11.76
331.264824
FA(17:0)
Margaric acid
ME759396
-
-
11.82
269.248424
FA(20:2)
Eicosadienoic acid
ME759411
-
-
11.84
307.264524
deoxycytidine
Deoxycytidine
ME759385
-
-
1.19
226.083324
FA(19:1)
Nonadecenoic acid
ME759406
-
-
11.9
295.263924
FA(22:3)
Docosatrienoic acid
ME759417
-
-
11.98
333.279324
FA(18:0)
Stearic acid
ME759403
-
-
12.02
283.264824
FA(20:1)
Eicosenoic acid
ME759412
-
-
12.09
309.280224
citrate
Citric acid
ME759368
-
-
1.24
191.019924
FA(20:0)
Arachidic acid
ME759413
-
-
12.45
311.295124
urate
Uric acid
ME759351
-
-
1.26
167.021224
cholesterol sulfate
Cholesterol sulfate
ME759449
-
-
12.6
465.304424
FA(23:0)
Tricosylic acid
ME759421
-
-
12.8
353.342524
FA(22:0)
Behenic acid
ME759418
-
-
13
339.326224
FA(24:1)
Tetracosenoic acid
ME759423
-
-
13.06
365.341924
tryosine
Tyrosine
ME759360
-
-
1.32
180.065724
alpha-tocopherol
alpha-Tocopherol
ME759440
-
-
13.2
429.373824
FA(24:0)
Lignoceric acid
ME759425
-
-
13.7
367.357524
FA(26:0)
Cerotic acid
ME759434
-
-
13.87
395.389424
PA(16:0)
PA 16:0
ME759439
-
-
14.43
409.235324
PA(18:1)
PA 18:1
ME759442
-
-
14.81
435.250024
citramalate
Citramalic acid
ME759334
-
-
1.6
147.029924
tyrosine-13C9
Tyrosine
ME759366
-
-
1.69
189.091324
succinate
Succinic acid
ME759309
-
-
1.86
117.018324
uridine
Uridine
ME759389
-
-
1.87
243.061024
2-hydroxybutyrate
2-Hydroxybutyric acid
ME759304
-
-
1.88
103.038924
isoleucine-13C6
Isoleucine
ME759324
-
-
1.96
136.107324
isoleucine-13C6+leucine-13C6
Isoleucine
ME759325
-
-
1.96
136.107324
leucine-13C6
Leucine
ME759326
-
-
1.96
136.107324
3-hydroxybutyrate
3-Hydroxybutyric acid
ME759305
-
-
2.15
103.040324
S-allylcysteine
S-Allylcysteine
ME759344
-
-
2.42
160.043924
3-methylxanthine
3-Methylxanthine
ME759348
-
-
2.81
165.038724
xanthosine
Xanthosine
ME759402
-
-
2.81
283.068024
phenylalanine
Phenylalanine
ME759346
-
-
2.93
164.067224
phenylalanine-13C9
Phenylalanine
ME759356
-
-
2.93
173.097324
1-methylxanthine
1-Methylxanthine
ME759349
-
-
2.99
165.041824
glutarate
Glutaric acid
ME759318
-
-
3.03
131.034224
hydroxyphenyllactic acid
Hydroxyphenyllactic acid
ME759361
-
-
3.38
181.050224
indoleacrylate
Indoleacrylic acid
ME759362
-
-
3.61
186.055224
tryptophan
Tryptophan
ME759376
-
-
3.61
203.082324
tryptophan-15N2
Tryptophan
ME759378
-
-
3.61
205.076124
2-hydroxy-3-methylbutyrate
2-Hydroxy-3-methylbutyric acid
ME759310
-
-
3.9
117.055724
3-methyl-2-oxovalerate
3-Methyl-2-oxovaleric acid
ME759316
-
-
3.95
129.055324
kynurenate
Kynurenic acid
ME759365
-
-
3.98
188.037824
gamma-glutamylisoleucine
gamma-Glutamylisoleucine
ME759394
-
-
4.02
259.129324
phenylacetate
Phenyl acetate
ME759322
-
-
4.05
135.045024
gamma-glutamylleucine
gamma-Glutamylleucine
ME759393
-
-
4.17
259.126424
3,4-dihydroxybenzoate
Protocatechuic acid
ME759340
-
-
4.2
153.019324
1,3-dimethylurate
1,3-Dimethyluric acid
ME759370
-
-
4.31
195.053224
phthalate
Phthalic acid
ME759347
-
-
4.32
165.019324
hippurate
Hippuric acid
ME759357
-
-
4.35
178.043224
alpha-N-phenylacetylglutamine
alpha-N-Phenylacetylglutamine
ME759395
-
-
4.48
263.102424
ketoleucine
Ketoleucine
ME759315
-
-
4.51
129.054324
anthranilic acid-15N
2-Aminobenzoic acid
ME759330
-
-
4.79
137.035924
methyl-3-hydroxybenzoate
Methyl 3-hydroxybenzoate
ME759336
-
-
4.8
151.040024
hydroxyindole acetate
5-Hydroxyindoleacetic acid
ME759367
-
-
5.01
190.050224
2,5-dihydroxybenzoate
Gentisic acid
ME759341
-
-
5.02
153.019324
salicylurate
Salicyluric acid
ME759369
-
-
5.03
194.045124
phenyllactate
Phenyllactic acid
ME759350
-
-
5.04
165.054724
N-acetylleucine
N-Acetylleucine
ME759353
-
-
5.43
172.095024
indole lactate
Indolelactic acid
ME759377
-
-
5.49
204.064024
N-acetylphenylalanine
N-Acetylphenylalanine
ME759379
-
-
5.53
206.082224
caffeate
Caffeic acid
ME759358
-
-
5.55
179.035024
pantothenate
Pantothenic acid
ME759382
-
-
5.6
218.103424
gibberellic acid
Gibberellin A3
ME759419
-
-
5.72
345.133724
m-hydroxybenzoate
3-Hydroxybenzoic acid
ME759327
-
-
6.12
137.022824
FA(8:0-COOH)
Azelaic acid
ME759355
-
-
6.3
173.081024
aspirin
Aspirin
ME759359
-
-
6.6
179.035024
FA(9:0-COOH)
Azelaic acid
ME759363
-
-
6.7
187.097324
FA(8:0-OH)
Hydroxyoctanoic acid
ME759343
-
-
7.2
159.102424
FA(10:0-COOH)
Sebacic acid
ME759375
-
-
7.41
201.112924
salicylate
Salicylic acid
ME759328
-
-
7.52
137.024424
rosmarinate
Rosmarinic acid
ME759422
-
-
7.55
359.077024
FA(11:0-COOH)
Dodecanedioic acid
ME759380
-
-
8.16
215.128424
dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate
ME759424
-
-
8.4
367.158424
tauro-alpha-muricholate
Tauro-alpha-muricholic acid
ME759455
-
-
8.45
514.283924
naproxen
Naproxen
ME759387
-
-
8.5
229.087024
tauro-alpha-muricholate + tauro-beta-muricholiate
Tauromuricholic acid
ME759456
-
-
8.67
514.284024
tauro-beta-muricholate
Tauro-beta-muricholic acid
ME759457
-
-
8.67
514.284024
taurohyocoholate
Taurohyocholic acid
ME759458
-
-
8.74
514.284224
taurohyodeoxycholate
Taurohyodeoxycholic acid
ME759453
-
-
8.95
498.288724
tauroursodeoxycholate
Tauroursodeoxycholic acid
ME759452
-
-
8.95
498.288724
ortho-hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME759337
-
-
9
151.040024
androsterone sulfate
5alpha-Androstane-3alpha-ol-17-one sulfate
ME759426
-
-
9.06
369.173224
pregnenolone sulfate
Pregnenolone sulfate
ME759433
-
-
9.1
395.189724
FA(10:0-OH)
Hydroxydecanoic acid
ME759364
-
-
9.11
187.133724
glycohyodeoxycholate
Glycohyodeoxycholic acid
ME759446
-
-
9.26
448.305824
glycoursodeoxycholate
Glycoursodeoxycholic acid
ME759445
-
-
9.26
448.305724
alpha-muricholate
alpha-Muricholic acid
ME759435
-
-
9.37
407.279824
beta-muricholate
beta-Muricholic acid
ME759436
-
-
9.37
407.279824
glycocholate
Glycocholic acid
ME759447
-
-
9.56
464.302324
glycohyocholate
Glycohyocholic acid
ME759448
-
-
9.56
464.302324
FA(10:0)
Capric acid
ME759352
-
-
9.71
171.138524
epibrassinolide+HCOOH
24-epi-Brassinolide
ME759460
-
-
9.73
525.343224
taurodeoxycholate
Taurodeoxycholic acid
ME759454
-
-
9.76
498.289024
FA(12:0-OH)
Hydroxydodecanoic acid
ME759381
-
-
9.82
215.164724
taurochenodeoxycholate
Taurochenodeoxycholic acid
ME759451
-
-
9.97
498.288524
hyodeoxycholate
Hyodeoxycholic acid
ME759431
-
-
9.98
391.284524
ursodeoxycholate
Ursodeoxycholic acid
ME759430
-
-
9.98
391.284524
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