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Return to study ST001997 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
Choline
Choline
ME461143
-
C00114
-
104.1075
Cytosine
Cytosine
ME461116
-
C00380
-
112.0509
Uracil
Uracil
ME461119
-
C00106
-
113.0361
L-proline
Proline
ME461107
-
C00148
-
116.0710
L-valine
Valine
ME461111
-
C00183
-
118.0866
L-threonine
Threonine
ME461108
-
C00188
-
120.0658
L-cysteine
Cysteine
ME461099
-
C00097
-
122.0272
Nicotinamide
Niacinamide
ME461124
-
C00153
-
123.0555
Picolinic acid
Picolinic acid
ME461140
-
C10164
-
124.0395
Thymine
Thymine
ME461118
-
C00178
-
127.0504
5-Oxoproline
Pyroglutamic acid
ME461126
-
C01879
-
130.0500
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME461137
-
C01157
-
132.0656
Creatine
Creatine
ME461135
-
C00300
-
132.0769
L-leucine
Leucine
ME461103
-
C00123
-
132.1020
Ornithine
Ornithine
ME461129
-
C01602
-
133.0972
Adenine
Adenine
ME461113
-
C00147
-
136.0618
Hypoxanthine
Hypoxanthine
ME461121
-
C00262
-
137.0459
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME461136
-
C02946
-
146.0812
Acetylcholine
Acetylcholine
ME461142
-
C01996
-
146.1175
Spermidine
Spermidine
ME461132
-
C00315
-
146.1652
L-glutamine
Glutamine
ME461101
-
C00064
-
147.0764
L-lysine
Lysine
ME461104
-
C00047
-
147.1128
L-glutamate
Glutamic acid
ME461100
-
C00025
-
148.0604
L-methionine
Methionine
ME461105
-
C00073
-
150.0584
Guanine
Guanine
ME461115
-
C00242
-
152.0567
Xanthine
Xanthine
ME461122
-
C00385
-
153.0407
L-Methionine S-oxide
Methionine sulfoxide
ME461139
-
C02989
-
166.0533
L-phenylalanine
Phenylalanine
ME461106
-
C00079
-
166.0864
Pyridoxamine
Pyridoxamine
ME461147
-
C00534
-
169.0961
L-Noradrenaline
Norepinephrine
ME461148
-
C00547
-
170.0811
L-arginine
Arginine
ME461098
-
C00062
-
175.1190
L-Citrulline
Citrulline
ME461130
-
C00327
-
176.1029
D-Glucosamine
Glucosamine
ME461134
-
C00329
-
180.0866
L-tyrosine
Tyrosine
ME461110
-
C00082
-
182.0813
3-Phosphonooxypyruvate
Phosphohydroxypyruvic acid
ME461128
-
C03232
-
184.9855
Phosphoserine
Phosphoserine
ME461127
-
C02532
-
186.0186
Spermine
Spermine
ME461133
-
C00750
-
203.2230
Triacanthine
Triacanthine
ME461144
-
C08435
-
204.1231
L-tryptophan
Tryptophan
ME461109
-
C00078
-
205.0972
Pantothenol
Pantothenol
ME461138
-
C00864
-
220.1180
6-Lactoyl-5-6-7-8-tetrahydropterin
6-Lactoyltetrahydropterin
ME461145
-
C04244
-
240.1090
Thymidine
Thymidine
ME461117
-
C00214
-
243.0991
Fe(III)dicitrate
-
ME461146
-
C06229
-
245.9450
Adenosine
Adenosine
ME461112
-
C00212
-
268.1039
Inosine
Inosine
ME461120
-
C00294
-
269.0879
Guanosine
Guanosine
ME461114
-
C00387
-
284.0988
Sphingosine
Sphingosine
ME461141
-
C00319
-
300.2896
3',5'-Cyclic IMP
3',5' cyclic IMP
ME461123
-
C00943
-
331.0447
Glutathione disulfide
Oxidized glutathione
ME461125
-
C00127
-
613.1587
glycine
Glycine
ME461102
-
C00037
-
76.0402
Putrescine
Putrescine
ME461131
-
C00134
-
89.1080
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Fumarate
Fumaric acid
ME461170
-
C00122
-
115.0022
Succinate
Succinic acid
ME461169
-
C00042
-
117.0178
Taurine
Taurine
ME461184
-
C00245
-
124.0059
Itaconate
Itaconic acid
ME461172
-
C00490
-
129.0178
1-4-beta-D-Xylan
-
ME461180
-
C02352
-
131.0336
Malate
Malic acid
ME461171
-
C00149
-
133.0128
Anthranilate
2-Aminobenzoic acid
ME461187
-
C00108
-
136.0390
Acetyl phosphate
Acetylphosphate
ME461191
-
C00227
-
138.9788
Ethanolamine phosphate
Phosphoethanolamine
ME461189
-
C00346
-
140.0105
2-Methyleneglutarate
-
ME461192
-
C02930
-
143.0336
2-Oxoglutarate
2-Oxoglutaric acid
ME461168
-
C00026
-
145.0130
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME461173
-
C02630
-
147.0286
D-Ribose
Ribose
ME461165
-
C00121
-
149.0443
Indole-3-acetaldehyde
Indoleacetaldehyde
ME461186
-
C00637
-
158.0599
6-Carboxyhexanoate
Pimelic acid
ME461197
-
C02656
-
159.0664
D-Rhamnose
Rhamnose
ME461166
-
C01684
-
163.0614
Pyridoxal
Pyridoxal
ME461153
-
C00250
-
166.0498
Phosphoenolpyruvate
Phosphoenolpyruvic acid
ME461162
-
C00074
-
166.9740
L-Cysteate
Cysteic acid
ME461185
-
C00506
-
167.9960
D-Glyceraldehyde 3-phosphate/Glycerone phosphate
Glyceraldehyde 3-phosphate
ME461160
-
C00118
-
168.9883
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME461188
-
C00093
-
171.0056
9-Oxononanoic acid
9-Oxo-nonanoic acid
ME461196
-
C16322
-
171.1015
Dehydroascorbate
Dehydroascorbic acid
ME461178
-
C05422
-
173.0081
Ascorbate
Vitamin C
ME461177
-
C00072
-
175.0237
Diphosphate
Pyrophosphate
ME461156
-
C00013
-
176.9348
D-glucono-1,5-lactone
Gluconolactone
ME461194
-
C00198
-
177.0394
D-Glucose
Glucose
ME461157
-
C00031
-
179.0551
2/3-Phospho-D-glycerate
2-Phosphoglyceric acid
ME461161
-
C00631
-
184.9846
Citrate
Citric acid
ME461167
-
C00158
-
191.0187
Phosphocreatine
Phosphocreatine
ME461183
-
C02305
-
210.0278
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME461175
-
C00620
-
229.0117
6-Pyruvoyltetrahydropterin
-
ME461193
-
C03684
-
236.0778
D-Glucose 6-phosphate
Glucose 6-phosphate
ME461158
-
C00092
-
259.0221
L-gamma-Glutamyl-L-hypoglycin
-
ME461179
-
C08280
-
269.1157
Sedoheptulose 1-phosphate
Sedoheptulose 1-phosphate
ME461174
-
C06222
-
289.0328
Glutathione
Glutathione
ME461176
-
C00051
-
306.0764
Glucosinolate
-
ME461195
-
C17260
-
316.9841
D-Fructose 1-6-bisphosphate
Fructose 1,6-bisphosphate
ME461159
-
C00354
-
338.9884
Sphinganine 1-phosphate
Sphinganine 1-phosphate
ME461190
-
C01120
-
380.2551
UDP
UDP
ME461151
-
C00015
-
402.9999
IDP
IDP
ME461152
-
C00104
-
427.0070
UTP
UTP
ME461150
-
C00075
-
482.9611
ATP
ATP
ME461149
-
C00002
-
505.9878
UDP-glucose
UDP-glucose
ME461154
-
C00029
-
565.0474
UDP-N-acetyl-D-glucosamine
UDP-N-acetylglucosamine
ME461181
-
C00043
-
606.0742
Glycolate
Glycolic acid
ME461182
-
C00160
-
75.0071
Pyruvate
Pyruvic acid
ME461163
-
C00022
-
87.0071
Lactate
Lactic acid
ME461164
-
C01432
-
89.0228
Phosphate
Phosphoric acid
ME461155
-
C00009
-
96.9680
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