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Return to study ST000290 main page
Analysis: ESI Positive mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME103983
535
C01234
0.75
102.0556
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME103985
119
C00334
0.78
104.0712
CYTOSINE
Cytosine
ME104006
597
C00380
0.99
112.0511
URACIL
Uracil
ME104043
1174
C00106
1.38
113.0351
5,6-DIHYDROURACIL
Dihydrouracil
ME103988
649
C00429
1.46
115.0491
L-PROLINE
Proline
ME104020
145742
C00148
0.81
116.0712
L-Valine or L-Norvaline
-
ME104022
-
-
1.04
118.0868
THREONINE/HOMOSERINE
Threonine/Homoserine
ME104038
-
-
0.72
120.066
Phenylalanine-HCOOH
-
ME104030
-
-
6.21
120.081
PHENETHYLAMINE
Phenylethylamine
ME104028
1001
C05332
6.81
122.0969
PICOLINIC ACID
Picolinic acid
ME104032
1018
C10164
1.37
124.0399
5-OXO-L-PROLINE
Pyroglutamic acid
ME103990
7405
C01879
1.85
130.0501
PIPECOLATE
Pipecolic acid
ME104033
849
C00408
1.27
130.0866
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME104025
122356
C02714
1.14
131.1179
LEUCINE
Leucine
ME104016
6106
C00123
2.49
132.1024
L-Isoleucine
Isoleucine
ME104018
6306
C00407
2.18
132.1024
ASPARTATE
Aspartic acid
ME104000
5960
C00049
0.7
134.0449
HOMOCYSTEINE
Homocysteine
ME104014
778
C05330
0.82
136.0431
ADENINE
Adenine
ME103992
190
C00147
1.49
136.0618
UROCANATE
Urocanic acid
ME104047
1549103
-
1.97
139.0503
SUCCINATE
Succinic acid
ME104037
1110
C00042
2.31
141.0161
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME103986
500
C01035
1.62
146.0925
L-GLUTAMINE
Glutamine
ME104017
5961
C00064
0.72
147.0764
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME104027
22880
C12269
0.75
148.0608
L-METHIONINE
Methionine
ME104019
6137
C00073
1.41
150.0588
GUANINE
Guanine
ME104009
764
C00242
1.48
152.0558
GLUTARATE
Glutaric acid
ME104008
743
C00489
4.76
155.0315
(R)-MALATE
D-Malic acid
ME103982
92824
C00497
1.07
157.0111
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_1
-
ME103998
-
-
0.81
162.0761
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_2
-
ME103999
-
-
1.06
162.0763
Phenylalanine
Phenylalanine
ME104029
6140
C00079
6.21
166.0865
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME103987
36143
C12323
0.81
168.0656
PYRIDOXAL
Pyridoxal
ME104034
1050
C00250
1.89
168.0657
URATE
Uric acid
ME104044
1175
C00366
1.85
169.0356
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME104024
64969
C01152
0.72
170.0925
CITRULLINE
Citrulline
ME104003
9750
C00327
0.76
176.1033
CYS-GLY
Cys-Gly
ME104004
439498
-
0.82
179.0483
L-TYROSINE
Tyrosine
ME104021
6057
C00082
3.39
182.0815
PHOSPHOCHOLINE
Choline phosphate
ME104031
135437
-
0.72
184.0737
Tryptophan-NH3
Tryptophan
ME104042
6305
C00078
7.64
188.071
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME104026
92907
C12989
1.2
189.1239
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME104041
-
-
7.63
191.0892
QUINATE
Quinic acid
ME104035
6508
C00296
0.81
193.0708
Caffeine-D3
Caffeine
ME104001
13001298
-
7.88
198.1068
ALDO/KETO-HEXOSE
Hexose
ME103997
-
-
0.75
203.0527
6C-SUGAR ALCOHOL
-
ME103991
-
-
0.73
205.0685
Tryptophan
Tryptophan
ME104039
6305
C00078
7.64
205.0971
Tryptophan-2,3,3-D3
Tryptophan
ME104040
-
-
7.63
208.1164
ISOCITRIC ACID
Isocitric acid
ME104015
1198
C00311
1.17
215.0165
CITRATE
Citric acid
ME104002
311
C00158
1.92
215.0167
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME104023
94214
C03619
0.93
217.0693
CYTIDINE
Cytidine
ME104005
6175
C00475
1.65
244.0931
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME103989
439182
C05198
6.05
252.1093
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME104012
208
C02965
0.78
261.0366
URIDINE
Uridine
ME104045
6029
C00299
2.85
267.0591
Adenosine
Adenosine
ME103993
60961
C00212
5.7
268.1034
Guanosine
Guanosine
ME104010
6802
C00387
6.24
284.0996
3'-CMP
3'-CMP
ME103984
6131
C05822
1.71
324.0589
URIDINE-5-MONOPHOSPHATE
UMP
ME104046
6030
C00105
1.25
325.0434
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME103994
6083
C00020
1.67
348.0713
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME104011
6804
C00144
1.96
364.0656
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME104013
-
-
0.88
365.1057
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME104036
34755
C00019
0.8
399.1432
ADP
ADP
ME103995
6022
C00008
0.81
428.0375
D-(+)-RAFFINOSE
Raffinose
ME104007
439242
C00492
0.82
527.1569
ALANINE/SARCOSINE
Alanine/Sarcosine
ME103996
-
-
0.71
90.0556
Analysis: ESI Negative mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
MALONATE
Malonic acid
ME104094
867
C00383
1.22
103.0032
GLYCERIC ACID
Glyceric acid
ME104078
439194
C00258
0.79
105.0188
URACIL
Uracil
ME104109
1174
C00106
1.37
111.0195
MALEIC ACID
Maleic acid
ME104093
444266
C01384
2.06
115.0034
SUCCINATE
Succinic acid
ME104104
1110
C00042
2.31
117.0189
THREONINE/HOMOSERINE
Threonine/Homoserine
ME104105
-
-
0.73
118.0507
5-OXO-L-PROLINE
Pyroglutamic acid
ME104052
7405
C01879
1.78
128.0351
3-METHYL-2-OXOVALERIC ACID
3-Methyl-2-oxovaleric acid
ME104051
47
C03465
6.74
129.0554
GLUTARATE
Glutaric acid
ME104075
743
C00489
4.74
131.0347
ASPARTATE
Aspartic acid
ME104059
5960
C00049
0.71
132.0299
MALATE
Malic acid
ME104092
222656
C00149
0.9
133.0139
ADENINE
Adenine
ME104054
190
C00147
1.49
134.047
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME104058
51
C00026
1.29
145.0139
L-GLUTAMINE
Glutamine
ME104089
5961
C00064
0.72
145.0616
L-GLUTAMIC ACID
Glutamic acid
ME104088
33032
-
0.75
146.0454
L-METHIONINE
Methionine
ME104090
6137
C00073
1.42
148.0433
GUANINE
Guanine
ME104081
764
C00242
1.5
150.0411
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME104061
-
-
0.75
151.0607
2,3-DIHYDROXYBENZOATE_1
2-Pyrocatechuic acid
ME104048
19
C00196
7.52
153.019
2,3-DIHYDROXYBENZOATE_2
2-Pyrocatechuic acid
ME104049
19
C00196
8.08
153.019
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME104099
439377
C01046
0.8
160.0609
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME104050
873
C01198
8.73
165.0552
URATE
Uric acid
ME104110
1175
C00366
1.88
167.0206
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME104079
-
-
0.73
171.0059
SHIKIMATE_1
Shikimic acid
ME104102
8742
C00493
0.93
173.0452
SHIKIMATE_2
Shikimic acid
ME104103
8742
C00493
1.14
173.0453
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME104096
65065
C01042
1.67
174.0405
CYS-GLY
Cys-Gly
ME104065
439498
-
0.84
177.0326
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME104062
-
-
0.74
179.0555
L-TYROSINE
Tyrosine
ME104091
6057
C00082
3.42
180.066
HOMOVANILLATE
Homovanillic acid
ME104085
1738
C05582
7.48
181.0501
HEXOSE ALCOHOL
-
ME104084
-
-
0.73
181.0714
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME104087
439278
-
0.73
184.9852
NALPHA-ACETYL-L-LYSINE_2
N(2)-Acetyllysine
ME104098
92907
C12989
0.86
187.108
NALPHA-ACETYL-L-LYSINE_1
N(2)-Acetyllysine
ME104097
92907
C12989
1.33
187.1081
CITRATE
Citric acid
ME104063
311
C00158
1.95
191.0193
ISOCITRIC ACID
Isocitric acid
ME104086
1198
C00311
0.95
191.0193
QUINATE
Quinic acid
ME104100
6508
C00296
0.8
191.0557
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME104067
-
-
0.73
193.0348
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME104095
94214
C03619
0.8
193.071
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME104072
-
-
0.73
195.0503
Tryptophan
Tryptophan
ME104106
6305
C00078
7.63
203.0824
Tryptophan-2,3,3-D3
Tryptophan
ME104107
-
-
7.63
206.1007
D-SACCHARIC ACID
Glucaric acid
ME104071
33037
C00818
0.74
209.0296
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME104074
-
-
0.73
215.0322
D-PANTOTHENIC ACID
Pantothenic acid
ME104069
988
C00864
6.2
218.1026
D-RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME104070
439167
C00117
0.73
229.0108
URIDINE
Uridine
ME104111
6029
C00299
2.9
243.0618
Glucose 6-phosphate/Fructose 6-phosphate
Glucose 6-phosphate
ME104073
-
C00092
0.73
259.0214
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME104053
91493
C00345
1.03
275.0203
Guanosine
Guanosine
ME104082
6802
C00387
6.23
282.0837
GLUTATHIONE
Glutathione
ME104076
124886
C00051
1.62
306.0755
CMP
CMP
ME104064
6131
C00055
1.11
322.0429
URIDINE-5-MONOPHOSPHATE
UMP
ME104112
6030
C00105
1.27
323.0274
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME104060
-
-
0.8
341.1085
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME104055
6083
C00020
1.69
346.0555
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME104083
6804
C00144
2
362.05
DISACCHARIDE (6C/6C)
-
ME104068
-
-
0.81
377.0846
CYTIDINE 5'-DIPHOSPHATE
CDP
ME104066
6132
C00112
0.8
402.01
UDP
UDP
ME104108
6031
C00015
0.81
402.9941
ADP_2
ADP
ME104057
6022
C00008
0.81
426.0198
ADP_1
ADP
ME104056
6022
C00008
1.13
426.0204
GLYCOLATE
Glycolic acid
ME104080
757
C00160
0.94
75.008
SARCOSINE
Sarcosine
ME104101
1088
C00213
0.72
88.0397
Glyceraldehyde
Glyceraldehyde
ME104077
751
C02154
0.74
89.0236
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