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Return to study ST002730 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
3-Aminoisobutanoic acid
3-Aminoisobutanoic acid
ME705299
-
-
8.42
104.06215
2,3-Diaminopropionic acid
2,3-Diaminopropionic acid
ME705287
-
-
7.3
105.07009
4-Aminophenol
4-Aminophenol
ME705306
-
-
3.59
110.06035
Hydroquinone
Hydroquinone
ME705374
-
-
3.12
111.04398
Pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid
ME705441
-
-
9.82
112.03926
Cytosine
Cytosine
ME705345
-
-
3.28
112.05044
Uracil
Uracil
ME705466
-
-
3.82
113.03448
L-Proline
Proline
ME705400
-
-
2.18
116.07056
Indole
Indole
ME705378
-
-
10.92
118.0651
L-Valine
Valine
ME705403
-
-
2.03
118.08603
2,4-Diaminobutyric acid
2,4-Diaminobutyric acid
ME705288
-
-
15.21
119.08544
L-Threonine
Threonine
ME705401
-
-
3.64
120.06551
Phenylacetaldehyde
Phenylacetaldehyde
ME705426
-
-
8.64
121.06469
N,N-Dimethylaniline
N,N-Dimethylaniline
ME705408
-
-
10.79
122.09639
Niacinamide
Niacinamide
ME705417
-
-
2.82
123.05523
Adipic acid
Adipic acid
ME705324
-
-
2.24
129.05452
Dihydrothymine
Dihydrothymine
ME705354
-
-
3.44
129.06591
L-Glutamine
Glutamine
ME705393
-
-
12.44
129.06971
Pyroglutamic acid
Pyroglutamic acid
ME705440
-
-
3.62
130.04987
Pipecolic acid
Pipecolic acid
ME705433
-
-
3.13
130.08621
p-Cresol
P-Cresol
ME705423
-
-
6.81
131.04925
N-Acetylputrescine
N-Acetylputrescine
ME705414
-
-
2.57
131.11788
N-Acetyl-L-alanine
N-Acetylalanine
ME705410
-
-
22.16
132.06555
4-Hydroxyproline
cis-4-Hydroxyproline
ME705309
-
-
0.79
132.06571
3-Methylindole
3-Methylindole
ME705302
-
-
7.61
132.08092
L-Norleucine
Norleucine
ME705398
-
-
8.87
132.10202
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME705292
-
-
16.65
133.08597
Adenine
Adenine
ME705321
-
-
7.35
136.06191
Hypoxanthine
Hypoxanthine
ME705376
-
-
6.21
137.04581
Phenylacetic acid
Phenylacetic acid
ME705427
-
-
12.46
137.05984
p-Aminobenzoic acid
p-Aminobenzoic acid
ME705422
-
-
6.14
138.05446
2-Aminobenzoic acid
2-Aminobenzoic acid
ME705290
-
-
7.88
138.05515
2-Hydroxyphenethylamine
2-Hydroxyphenethylamine
ME705293
-
-
8.64
138.0915
Urocanic acid
Urocanic acid
ME705471
-
-
0.61
139.05027
1,3-Dimethyluracil
1,3-Dimethyluracil
ME705286
-
-
8.27
141.06599
Tryptophanol
Tryptophanol
ME705464
-
-
11.16
144.08069
3-Hexenedioic acid
3-Hexenedioic acid
ME705301
-
-
3.26
145.04963
4-Hydroxycyclohexylcarboxylic acid
4-Hydroxycyclohexylcarboxylic acid
ME705308
-
-
9.88
145.07604
Phenylpropiolic acid
Phenylpropiolic acid
ME705429
-
-
3.87
147.04406
L-Lysine
Lysine
ME705396
-
-
3.56
147.11295
L-Glutamic acid
Glutamic acid
ME705392
-
-
2.11
148.06049
Indole-3-carbinol
Indole-3-carbinol
ME705379
-
-
9.83
148.07583
Cinnamic acid
trans-Cinnamic acid
ME705340
-
-
6.82
149.05995
Mevalonic acid
Mevalonic acid
ME705407
-
-
3.74
149.08093
L-Methionine
Methionine
ME705397
-
-
3.55
150.05808
4-Ethylbenzoic acid
4-Ethylbenzoic acid
ME705307
-
-
12.91
151.0755
Guanine
Guanine
ME705367
-
-
3.62
152.05686
Oxypurinol
Oxypurinol
ME705421
-
-
3.66
153.04079
3-Cresotinic acid
-
ME705300
-
-
11.27
153.05489
3,5-Dimethoxyphenol
-
ME705298
-
-
10.12
155.07066
L-Histidine
Histidine
ME705394
-
-
2
156.07697
2,5-Furandicarboxylic acid
2,5-Furandicarboxylic acid
ME705289
-
-
2.74
157.0109
5-Hydroxymethyl-4-methyluracil
5-Hydroxymethyl-4-methyluracil
ME705314
-
-
2.29
157.06092
Tiglylglycine
Tiglylglycine
ME705461
-
-
22.12
158.08137
Succinylacetone
Succinylacetone
ME705458
-
-
11.1
159.0655
5-Hydroxytryptophol
5-Hydroxytryptophol
ME705315
-
-
9.25
160.07599
DL-2-aminooctanoic acid
2-Aminocaprylic acid
ME705357
-
-
2.98
160.13338
Indole-3-carboxylic acid
Indole-3-carboxylic acid
ME705380
-
-
10.55
162.05531
Aminoadipic acid
Aminoadipic acid
ME705328
-
-
2.83
162.07613
L-Carnitine
Carnitine
ME705391
-
-
2.04
162.11263
Umbelliferone
Umbelliferone
ME705465
-
-
7.34
163.04282
m-Coumaric acid
trans-m-Coumaric acid
ME705405
-
-
3.85
165.05458
2-Phenylbutyric acid
2-Phenylbutyric acid
ME705295
-
-
11.73
165.09126
L-Phenylalanine
Phenylalanine
ME705399
-
-
6.81
166.08632
Benzocaine
Benzocaine
ME705335
-
-
9.27
166.08659
Homogentisic acid
Homogentisic acid
ME705373
-
-
1.87
169.05868
1,3,5-Trimethoxybenzene
1,3,5-Trimethoxybenzene
ME705284
-
-
8.29
169.07625
2-Furoylglycine
2-Furoylglycine
ME705291
-
-
1.92
170.04283
3,4-Dihydroxyphenylglycol
3,4-Dihydroxyphenylglycol
ME705297
-
-
5.3
171.06306
Glycylproline
Gly-Pro
ME705365
-
-
2.58
173.09235
Quinaldic acid
Quinaldic acid
ME705443
-
-
11.2
174.05831
Shikimic acid
Shikimic acid
ME705453
-
-
1.9
175.0579
L-Arginine
Arginine
ME705389
-
-
1.98
175.11913
Indoleacetic acid
Indoleacetic acid
ME705381
-
-
10.11
176.07085
Ureidosuccinic acid
N-Carbamoylaspartic acid
ME705468
-
-
14.9
177.05475
Serotonin
Serotonin
ME705452
-
-
9.91
177.10064
Gluconolactone
Gluconolactone
ME705361
-
-
3.57
179.04848
o-Tyrosine
o-Tyrosine
ME705420
-
-
6.46
182.08155
Sorbitol
Sorbitol
ME705454
-
-
2.19
183.08648
4-Pyridoxic acid
4-Pyridoxic acid
ME705310
-
-
5.93
184.059
Normetanephrine
Normetanephrine
ME705419
-
-
7.1
184.09741
Indoleacrylic acid
Indoleacrylic acid
ME705382
-
-
7.61
188.07079
N6-Acetyl-L-lysine
N6-Acetyllysine
ME705415
-
-
3.19
189.12361
Glycyl-L-leucine
Gly-Leu
ME705364
-
-
7.07
189.12382
Homo-L-arginine
Homoarginine
ME705371
-
-
2.04
189.13497
Kynurenic acid
Kynurenic acid
ME705387
-
-
8.15
190.05036
N-Acetylglutamic acid
N-Acetylglutamic acid
ME705412
-
-
3.92
190.07139
Homocitrulline
Homocitrulline
ME705372
-
-
2.31
190.11903
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME705313
-
-
11.38
192.06599
5-Methoxytryptophol
5-Methoxytryptophol
ME705317
-
-
9.95
192.1023
Phenylacetylglycine
Phenylacetylglycine
ME705428
-
-
6.31
194.08159
4-Aminohippuric acid
4-Aminohippuric acid
ME705305
-
-
6.1
195.0768
Guaifenesin
Guaifenesin
ME705366
-
-
8.25
199.08701
Asymmetric dimethylarginine
Dimethylarginine
ME705333
-
-
2.3
203.15054
Spermine
Spermine
ME705455
-
-
1.49
203.22338
L-Acetylcarnitine
CAR 2:0
ME705388
-
-
7.96
204.12363
L-Tryptophan
Tryptophan
ME705402
-
-
7.61
205.09754
Xanthurenic acid
Xanthurenic acid
ME705473
-
-
3.72
206.04827
Indolelactic acid
Indolelactic acid
ME705383
-
-
10.2
206.08166
(R)-Lipoic acid
Lipoic acid
ME705282
-
-
1.59
207.05116
L-Kynurenine
Kynurenine
ME705395
-
-
2.81
209.09257
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME705285
-
-
14.4
211.08692
Azelaic acid
Azelaic acid
ME705334
-
-
10.45
211.09454
Phosphocreatine
Phosphocreatine
ME705430
-
-
14.12
212.0379
Pantothenic acid
Pantothenic acid
ME705424
-
-
7.09
220.11849
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME705312
-
-
7
221.09268
N-Acetyl-D-glucosamine
N-Acetylglucosamine
ME705409
-
-
2.71
222.09762
N-Acetyl-L-tyrosine
N-Acetyltyrosine
ME705411
-
-
8
224.09241
Hydroxykynurenine
Hydroxykynurenine
ME705375
-
-
7.99
225.08765
Sebacic acid
Sebacic acid
ME705451
-
-
10.92
225.10037
3-Nitrotyrosine
Nitrotyrosine
ME705303
-
-
3.99
227.06635
Carnosine
Carnosine
ME705338
-
-
6.83
227.1045
Deoxycytidine
Deoxycytidine
ME705348
-
-
6.87
228.09957
Traumatic acid
Traumatic acid
ME705462
-
-
10.86
229.14151
Naproxen
Naproxen
ME705416
-
-
3.57
231.09864
Paracetamol sulfate
Paracetamol sulfate
ME705425
-
-
5.3
232.02694
5-Methoxytryptophan
5-Methoxytryptophan
ME705316
-
-
7.95
235.1089
Anserine
Anserine
ME705331
-
-
12.87
241.12029
Thymidine
Thymidine
ME705460
-
-
10.37
243.08799
Cytidine
Cytidine
ME705343
-
-
3.36
244.09309
Uridine
Uridine
ME705469
-
-
14.89
245.07869
Biotin
Biotin
ME705337
-
-
8.7
245.09601
1,11-Undecanedicarboxylic acid
Tridecanedioic acid
ME705283
-
-
10.23
245.16514
Deoxyinosine
Deoxyinosine
ME705350
-
-
7.29
253.10111
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME705363
-
-
2.07
258.11024
Ribothymidine
Ribothymidine
ME705446
-
-
5.23
259.09275
Propranolol
-
ME705437
-
-
6.24
260.16006
Alpha-Aspartyl-lysine
Asp-Lys
ME705327
-
-
14.42
262.14411
Deoxyguanosine
Deoxyguanosine
ME705349
-
-
6.03
268.1041
Inosine
Inosine
ME705384
-
-
15.73
269.07872
Doxylamine
Doxylamine
ME705358
-
-
7.91
271.17671
Dextromethorphan
Dextromethorphan
ME705351
-
-
9.06
272.2083
Chlorpheniramine
Chlorphenamine
ME705339
-
-
7.84
275.1247
Saccharopine
Saccharopine
ME705448
-
-
2.1
277.13985
L-Aspartyl-L-phenylalanine
Asp-Phe
ME705390
-
-
7.81
281.11393
Guanosine
Guanosine
ME705368
-
-
6.2
284.0994
Stearic acid
Stearic acid
ME705457
-
-
15.57
285.27941
Salicin
Salicin
ME705449
-
-
7.01
287.10661
Androsterone
Androsterone
ME705330
-
-
17.92
291.23229
Aspartame
Aspartame
ME705332
-
-
8.02
295.12945
5'-Methylthioadenosine
5'-Methylthioadenosine
ME705311
-
-
7.34
298.09735
7-Methylguanosine
7-Methylguanosine
ME705318
-
-
3.31
299.12867
All-trans-retinoic acid
Retinoic acid
ME705326
-
-
10.31
301.21232
Sphinganine
Sphinganine
ME705456
-
-
14.04
302.30579
Scopolamine
Scopolamine
ME705450
-
-
7.54
304.15105
Warfarin
Warfarin
ME705472
-
-
5.94
309.11174
Androstenedione
Androstenedione
ME705329
-
-
11.01
309.17983
N-Acetylneuraminic acid
N-Acetylneuraminic acid
ME705413
-
-
2.53
310.11431
Ranitidine
Ranitidine
ME705444
-
-
7.02
315.15707
Cytidine monophosphate
CMP
ME705344
-
-
2.69
324.05949
Uridine 5'-monophosphate
UMP
ME705470
-
-
3.19
325.04341
Coproporphyrin I
Coproporphyrin I
ME705342
-
-
12.46
328.14166
Nicotinamide ribotide
Nicotinamide ribotide
ME705418
-
-
2.56
335.06401
Adenosine monophosphate
AMP
ME705322
-
-
3.53
348.07035
2-Phenylaminoadenosine
2-Phenylaminoadenosine
ME705294
-
-
12.82
359.14924
Guanosine monophosphate
GMP
ME705370
-
-
6.25
364.06578
Maltitol
Maltitol
ME705406
-
-
1.99
367.12104
Riboflavin
Riboflavin
ME705445
-
-
8.34
377.14626
Loratadine
Loratadine
ME705404
-
-
6.27
383.14666
S-Adenosylhomocysteine
S-Adenosylhomocysteine
ME705447
-
-
3.58
385.12958
Digoxin
Digoxin
ME705353
-
-
15.1
391.22005
Pregnenolone sulfate
Pregnenolone sulfate
ME705434
-
-
15.21
397.20119
3a,6b,7b-Trihydroxy-5b-cholanoic acid
beta-Muricholic acid
ME705304
-
-
8.77
409.29275
ADP
ADP
ME705325
-
-
3
428.03683
Guanosine 5'-diphosphate
GDP
ME705369
-
-
3.2
444.03172
Flavin mononucleotide
FMN
ME705360
-
-
8.2
457.11293
Sulfolithocholic acid
Lithocholic acid sulfate
ME705459
-
-
7.51
457.26526
Adenylsuccinic acid
Adenylsuccinic acid
ME705323
-
-
6.4
464.08177
Citicoline
CDP-choline
ME705341
-
-
2.18
489.11498
Propanal
Propanal
ME705435
-
-
10.69
59.04954
Dimethylprotoporphyrin IX dimethyl ester
-
ME705356
-
-
7.1
591.29804
Trimethylamine
Trimethylamine
ME705463
-
-
3.48
60.0812
Acetic acid
Acetic acid
ME705319
-
-
3.6
61.02885
Urea
Urea
ME705467
-
-
11.67
61.04006
Isopropyl alcohol
Isopropanol
ME705386
-
-
0.31
61.0652
Benzoic acid
Benzoic acid
ME705336
-
-
1.37
62.02405
Ethanolamine
Ethanolamine
ME705359
-
-
15.83
62.06046
Imidazole
Imidazole
ME705377
-
-
3.39
69.04572
Phosphonoacetate
Phosphonoacetate
ME705431
-
-
1.32
71.00065
Acrylamide
Acrylamide
ME705320
-
-
2.57
72.04489
Pyruvaldehyde
Pyruvaldehyde
ME705442
-
-
7.92
73.02875
Propionic acid
Propionic acid
ME705436
-
-
1.15
75.04445
Pyridine
Pyridine
ME705438
-
-
3.57
80.04992
Pyrimidine
Pyrimidine
ME705439
-
-
3.12
81.04511
2-Pyrrolidinone
2-Pyrrolidinone
ME705296
-
-
2.09
86.06044
Diacetyl
Diacetyl
ME705352
-
-
11.97
87.04453
Isobutyric acid
Isobutyric acid
ME705385
-
-
17.97
89.06005
D-Alanine
D-Alanine
ME705346
-
-
2.08
90.0552
D-Lactic acid
D-Lactic acid
ME705347
-
-
3.54
91.03943
Glycerol
Glycerol
ME705362
-
-
2.26
93.05477
Dimethyl sulfone
Dimethyl sulfone
ME705355
-
-
3.54
95.02424
Phosphoric acid
Phosphoric acid
ME705432
-
-
2.26
98.98433
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