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