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Return to study ST001998 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
ME461253
-
C00114
-
104.1071
L-serine
Serine
ME461210
-
C00065
-
106.0499
Cytosine
Cytosine
ME461221
-
C00380
-
112.0505
Uracil
Uracil
ME461223
-
C00106
-
113.0355
Creatinine
Creatinine
ME461245
-
C00791
-
114.0662
L-proline
Proline
ME461209
-
C00148
-
116.0705
L-valine
Valine
ME461214
-
C00183
-
118.0861
L-threonine
Threonine
ME461211
-
C00188
-
120.0654
L-cysteine
Cysteine
ME461201
-
C00097
-
122.0268
Nicotinamide
Niacinamide
ME461228
-
C00153
-
123.0551
Picolinic acid
Picolinic acid
ME461251
-
C10164
-
124.0405
Taurine
Taurine
ME461250
-
C00245
-
126.0217
Thymine
Thymine
ME461222
-
C00178
-
127.0498
5-6-Dihydrothymine
Dihydrothymine
ME461227
-
C00906
-
129.0655
5-Oxoproline
Pyroglutamic acid
ME461232
-
C01879
-
130.0495
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME461248
-
C01157
-
132.0652
Creatine
Creatine
ME461244
-
C00300
-
132.0763
L-leucine
Leucine
ME461205
-
C00123
-
132.1015
L-asparagine
Asparagine
ME461199
-
C00152
-
133.0604
Ornithine
Ornithine
ME461237
-
C01602
-
133.0967
L-aspartate
Aspartic acid
ME461200
-
C00049
-
134.0444
Adenine
Adenine
ME461218
-
C00147
-
136.0614
Hypoxanthine
Hypoxanthine
ME461226
-
C00262
-
137.0454
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME461246
-
C02946
-
146.0806
Acetylcholine
Acetylcholine
ME461252
-
C01996
-
146.117
Spermidine
Spermidine
ME461240
-
C00315
-
146.1646
L-glutamine
Glutamine
ME461203
-
C00064
-
147.0759
L-lysine
Lysine
ME461206
-
C00047
-
147.1123
L-glutamate
Glutamic acid
ME461202
-
C00025
-
148.0598
L-methionine
Methionine
ME461207
-
C00073
-
150.0578
Guanine
Guanine
ME461219
-
C00242
-
152.0560
N5-Methyl-L-glutamine
N(5)-Methyl-glutamine
ME461258
-
C03153
-
161.0914
L-Carnitine
Carnitine
ME461254
-
C00318
-
162.1118
L-phenylalanine
Phenylalanine
ME461208
-
C00079
-
166.0857
N-Acetylornithine
N-Acetylornithine
ME461247
-
C00437
-
175.1071
L-arginine
Arginine
ME461198
-
C00062
-
175.1182
L-Citrulline
Citrulline
ME461238
-
C00327
-
176.1023
Cys-Gly
Cys-Gly
ME461233
-
C01419
-
179.0478
D-Glucosamine
Glucosamine
ME461242
-
C00329
-
180.0859
L-tyrosine
Tyrosine
ME461213
-
C00082
-
182.0806
N-Carbamyl-L-glutamate
Carglumic acid
ME461260
-
C05829
-
191.0664
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME461261
-
C17220
-
191.0757
Spermine
Spermine
ME461241
-
C00750
-
203.2222
Triacanthine
Triacanthine
ME461257
-
C08435
-
204.1221
L-tryptophan
Tryptophan
ME461212
-
C00078
-
205.0966
Phosphocreatine
Phosphocreatine
ME461243
-
C02305
-
212.0421
acyl-C3 (propionyl-carnitine)
CAR 3:0
ME461255
-
C03017
-
218.1377
Pantothenol
Pantothenol
ME461249
-
C00864
-
220.1170
gamma-Glutamyl-gamma-aminobutyrate
4-(Glutamylamino) butanoate
ME461235
-
C15767
-
233.1132
Cytidine
Cytidine
ME461220
-
C00475
-
244.0932
Fe(III)dicitrate
-
ME461259
-
C06229
-
245.9440
acyl-C4-OH (Hydroxybutyrylcarnitine)
CAR 4:0;OH
ME461256
-
HMDB13127
-
248.1481
gamma-L-Glutamyl-L-cysteine
gamma-Glutamylcysteine
ME461234
-
C00669
-
251.0686
Adenosine
Adenosine
ME461217
-
C00212
-
268.1026
Inosine
Inosine
ME461225
-
C00294
-
269.0871
Glutathione
Glutathione
ME461230
-
C00051
-
308.0895
dAMP
dAMP
ME461216
-
C00360
-
332.0762
AMP
AMP
ME461215
-
C00020
-
348.0687
IMP
IMP
ME461224
-
C00130
-
349.0527
S-Adenosyl-L-methionine
S-Adenosylmethionine
ME461236
-
C00019
-
399.1426
Glutathione disulfide
Oxidized glutathione
ME461231
-
C00127
-
613.1563
NAD+
NAD
ME461229
-
C00003
-
664.1129
glycine
Glycine
ME461204
-
C00037
-
76.0399
Putrescine
Putrescine
ME461239
-
C00134
-
89.1077
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Itaconate
Itaconic acid
ME461276
-
C00490
-
129.0177
Oxaloacetate
Oxaloacetic acid
ME461275
-
C00036
-
130.9999
Malate
Malic acid
ME461274
-
C00149
-
133.0129
Ethanolamine phosphate
Phosphoethanolamine
ME461286
-
C00346
-
140.0100
2-Methyleneglutarate
-
ME461287
-
C02930
-
143.0331
2-Oxoglutarate
2-Oxoglutaric acid
ME461273
-
C00026
-
145.0147
2-Hydroxyglutarate/Citramalate
2-Hydroxyglutaric acid
ME461277
-
C02630
-
147.0284
D-Ribose
Ribose
ME461271
-
C00121
-
149.0444
2-Oxoadipate
Oxoadipic acid
ME461284
-
C00322
-
159.0285
Urate
Uric acid
ME461263
-
C00366
-
167.0202
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME461285
-
C00093
-
171.0050
Ascorbate
Vitamin C
ME461279
-
C00072
-
175.0250
Diphosphate
Pyrophosphate
ME461266
-
C00013
-
176.9342
D-glucono-1,5-lactone
Gluconolactone
ME461289
-
C00198
-
177.0393
D-Glucose
Glucose
ME461267
-
C00031
-
179.0549
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME461282
-
C05635
-
190.0512
Citrate
Citric acid
ME461272
-
C00158
-
191.0189
alpha-D-Ribose 1-phosphate
Ribose 1-phosphate
ME461278
-
C00620
-
229.0107
N-formyl kynurenine
N-Formyl-L-kynurenine
ME461283
-
C02700
-
235.0746
6-Lactoyl-5-6-7-8-tetrahydropterin
6-Lactoyltetrahydropterin
ME461288
-
C04244
-
238.0936
alpha-D-Glucosamine 1-phosphate
Glucosamine 1-phosphate
ME461281
-
C06156
-
258.0366
D-Glucose 6-phosphate
Glucose 6-phosphate
ME461268
-
C00092
-
259.0209
N-Acetylneuraminate
N-Acetylneuraminic acid
ME461280
-
C00270
-
308.0974
3',5'-Cyclic IMP
3',5' cyclic IMP
ME461264
-
C00943
-
329.0289
ADP
ADP
ME461262
-
C00008
-
426.0205
Pyruvate
Pyruvic acid
ME461269
-
C00022
-
87.0069
Lactate
Lactic acid
ME461270
-
C01432
-
89.0225
Phosphate
Phosphoric acid
ME461265
-
C00009
-
96.9677
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