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Return to study ST000239 main page
Analysis: ESI positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-AMINOPHENOL
2-Aminophenol
ME699392
491
C01987
1.87
110.0606
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME699354
1662
C03761
3.01
185.0422
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME699353
119
C00334
0.86
104.0713
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME699352
500
C01035
1.66
146.0927
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME699391
36143
C12323
0.95
168.0658
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME699390
440015
C01015
0.77
132.0657
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME699389
65040
C02376
1.14
126.0666
6-DEOXY-HEXOSE
-
ME699388
840
-
1.07
187.0578
ADENINE
Adenine
ME699351
190
C00147
1.57
136.0621
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME699387
6083
C00020
1.67
348.0708
ALANINE/SARCOSINE
Alanine/Sarcosine
ME699386
-
-
0.72
90.0556
ALDO/KETO-HEXOSE
Hexose
ME699385
-
-
0.76
203.0525
ALLANTOIN
Allantoin
ME699384
204
C01551
0.8
159.0515
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME699383
-
-
0.96
162.0763
ASPARTATE
Aspartic acid
ME699382
5960
C00049
0.72
132.03
Caffeine-D3
Caffeine
ME699350
13001298
-
6.74
198.1067
CITRAMALATE
Citramalic acid
ME699381
1081
C00815
2.23
171.0265
CITRATE
Citric acid
ME699380
311
C00158
1.92
215.0164
CYTIDINE
Cytidine
ME699349
6175
C00475
1.68
242.0779
CYTOSINE
Cytosine
ME699379
597
C00380
0.81
112.051
D-PANTOTHENIC ACID
Pantothenic acid
ME699378
988
C00864
5.94
220.1185
GLUTARATE
Glutaric acid
ME699377
743
C00489
4.66
155.0316
guanine
Guanine
ME699329
764
C00242
-
152.0553
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME699376
6804
C00144
1.95
364.0649
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME699375
-
-
0.91
365.1051
HYPOXANTHINE
Hypoxanthine
ME699348
790
C00262
2.05
135.0308
L-ARGININE
Arginine
ME699347
6322
C00062
0.78
175.1191
L-ASPARAGINE
Asparagine
ME699346
6267
C00152
0.79
133.061
L-CARNITINE
Carnitine
ME699345
288
-
1.03
162.1126
L-GLUTAMIC ACID
Glutamic acid
ME699374
33032
-
0.75
146.0455
L-GLUTAMINE
Glutamine
ME699356
5961
C00064
0.79
145.0616
L-HISTIDINE
Histidine
ME699344
6274
C00135
0.78
156.0769
L-Isoleucine
Isoleucine
ME699373
6306
C00407
2.45
132.1022
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME699372
439283
-
0.81
191.1027
L-METHIONINE
Methionine
ME699343
6137
C00073
1.51
150.0586
L-PIPECOLIC ACID
Pipecolic acid
ME699371
439227
C00408
1.2
130.0866
L-PROLINE
Proline
ME699370
145742
C00148
0.82
116.0712
L-SERINE
Serine
ME699342
5951
C00065
0.79
104.0349
L-TYROSINE
Tyrosine
ME699369
6057
C00082
3.36
182.0815
L-VALINE
Valine
ME699357
6287
C00183
1.21
118.0867
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME699368
94214
C03619
1
217.0685
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME699341
185
-
2.24
190.0712
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME699340
440120
C03793
0.79
189.1599
NICOTINAMIDE
Niacinamide
ME699339
936
C00153
1.75
123.0558
ORNITHINE
Ornithine
ME699367
6262
C00077
0.81
133.0974
PHENETHYLAMINE
Phenylethylamine
ME699366
1001
C05332
6.79
122.0968
Phenylalanine
Phenylalanine
ME699338
6140
C00079
5.57
166.0865
Phenylalanine-HCOOH
-
ME699337
-
-
5.57
120.0812
PHOSPHOCHOLINE
Choline phosphate
ME699336
135437
-
0.8
184.0735
PICOLINIC ACID
Picolinic acid
ME699365
1018
C10164
1.27
124.0397
PYRIDOXAL
Pyridoxal
ME699335
1050
C00250
1.95
168.0658
PYRIDOXAL 5'-PHOSPHATE
Pyridoxal 5'-phosphate
ME699364
1051
C00018
1.77
248.0318
PYRIDOXINE
Pyridoxine
ME699363
1054
C00314
2.81
170.0815
(R)-MALATE
D-Malic acid
ME699355
92824
C00497
1.13
157.0112
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME699362
34755
C00019
0.8
399.1443
S-CARBOXYMETHYL-L-CYSTEINE
S-Carboxymethyl-cysteine
ME699361
193653
C03727
0.82
180.0327
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME699360
439162
C00093
0.74
173.0211
THREONINE/HOMOSERINE
Threonine/Homoserine
ME699359
-
-
0.73
118.0508
Tryptophan
Tryptophan
ME699334
6305
C00078
6.45
203.0825
Tryptophan-2,3,3-D3
Tryptophan
ME699333
-
-
6.44
208.1161
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME699332
-
-
6.44
191.0895
Tryptophan-NH3
Tryptophan
ME699331
6305
C00078
6.45
188.0708
URATE
Uric acid
ME699330
1175
C00366
1.86
167.0205
URIDINE-5-MONOPHOSPHATE
UMP
ME699358
6030
C00105
1.26
325.0429
Analysis: ESI Negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-alpha-D-glucosyl-D-glucose [M+Cl]-
-
ME699427
-
-
0.87
377.0849
4-COUMARATE
cis-p-Coumaric acid
ME699426
637542
C06738
8.28
163.0398
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME699425
126
C00633
8.03
121.0294
4-HYDROXYBENZOATE
4-Hydroxybenzoic acid
ME699424
135
C00156
7.37
137.0243
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME699423
91493
C00345
0.9
275.0209
ALDOPENTOSE
Aldopentose
ME699422
-
-
0.83
149.0451
ASPARAGINE
Asparagine
ME699421
6267
C00152
0.71
131.046
ASPARTATE
Aspartic acid
ME699404
5960
C00049
0.72
132.03
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME699420
-
-
0.79
341.1078
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME699419
-
-
0.76
151.0607
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME699418
-
-
0.77
179.0556
CYTIDINE
Cytidine
ME699399
6175
C00475
1.68
242.0779
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME699417
-
-
0.77
193.0349
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME699400
668
C00111
0.82
168.9904
D-RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME699398
439167
C00117
0.84
229.0112
ETHYLMALONIC ACID
Ethylmalonic acid
ME699416
11756
-
6.03
131.0348
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME699415
-
C00293;C01496
0.72
215.0324
GLYCERIC ACID
Glyceric acid
ME699414
439194
C00258
0.81
105.0189
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME699413
-
-
0.73
171.006
GLYCOLATE
Glycolic acid
ME699412
757
C00160
0.94
75.008
GLYOXYLIC ACID
Glyoxylic acid
ME699411
760
C00048
0.87
72.9923
HEXOSE ALCOHOL
-
ME699410
-
-
0.82
181.0714
HEXOSE-PHOSPHATE
Hexose 6-phosphate
ME699409
-
-
0.7
259.0217
HYPOXANTHINE
Hypoxanthine
ME699397
790
C00262
2.05
135.0308
Inosine
Inosine
ME699408
6021
C00294
0.93
267.0715
L-GLUTAMIC ACID
Glutamic acid
ME699403
33032
-
0.75
146.0455
L-GLUTAMINE
Glutamine
ME699401
5961
C00064
0.79
145.0616
L-SERINE
Serine
ME699396
5951
C00065
0.79
104.0349
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME699395
65065
C01042
1.54
174.0403
SARCOSINE/BETA-ALANINE
-
ME699407
-
-
0.72
88.0398
THREONINE/HOMOSERINE
Threonine/Homoserine
ME699402
-
-
0.73
118.0508
Tryptophan
Tryptophan
ME699394
6305
C00078
6.45
203.0825
UDP
UDP
ME699406
6031
C00015
0.81
402.9937
URATE
Uric acid
ME699393
1175
C00366
1.86
167.0205
XANTHINE
Xanthine
ME699405
1188
C00385
2.52
151.0258
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