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Return to study ST001242 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
Dimethylglycine
Dimethylglycine
ME292252
-
C01026
-
104.071
Choline
Choline
ME292268
-
C00114
-
104.1074
L-serine
Serine
ME292235
-
C00065
-
106.0501
Creatinine
Creatinine
ME292258
-
C00791
-
114.0664
L-proline
Proline
ME292234
-
C00148
-
116.0709
L-valine
Valine
ME292239
-
C00183
-
118.0865
L-threonine
Threonine
ME292236
-
C00188
-
120.0656
Picolinic acid
Picolinic acid
ME292284
-
C10164
-
124.0388
Taurine
Taurine
ME292262
-
C00245
-
126.0221
5-6-Dihydrothymine
Dihydrothymine
ME292244
-
C00906
-
129.0658
5-Oxoproline
Pyroglutamic acid
ME292246
-
C01879
-
130.0498
trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME292261
-
C01157
-
132.0654
Creatine
Creatine
ME292257
-
C00300
-
132.0768
L-leucine
Leucine
ME292230
-
C00123
-
132.1017
L-asparagine
Asparagine
ME292226
-
C00152
-
133.0605
Ornithine
Ornithine
ME292253
-
C01602
-
133.0972
L-Homocysteine
Homocysteine
ME292251
-
C00155
-
136.0427
Hypoxanthine
Hypoxanthine
ME292241
-
C00262
-
137.0456
Anthranilate
2-Aminobenzoic acid
ME292283
-
C00108
-
138.0548
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME292259
-
C02946
-
146.081
Acetylcholine
Acetylcholine
ME292267
-
C01996
-
146.1172
Spermidine
Spermidine
ME292255
-
C00315
-
146.165
L-glutamine
Glutamine
ME292228
-
C00064
-
147.0761
L-lysine
Lysine
ME292231
-
C00047
-
147.1124
L-glutamate
Glutamic acid
ME292227
-
C00025
-
148.0603
L-methionine
Methionine
ME292232
-
C00073
-
150.0583
Xanthine
Xanthine
ME292242
-
C00385
-
153.0406
L-histidine
Histidine
ME292229
-
C00135
-
156.0766
g-Oxalo-crotonate
4-Oxalocrotonic acid
ME292264
-
C03453
-
159.0274
N6-Methyl-L-lysine
N(6)-Methyllysine
ME292278
-
C02728
-
161.1281
L-Carnitine
Carnitine
ME292269
-
C00318
-
162.1122
2-Deoxy-alpha-D-glucoside
-
ME292276
-
C03573
-
164.0665
L-Methionine S-oxide
Methionine sulfoxide
ME292263
-
C02989
-
166.0529
L-phenylalanine
Phenylalanine
ME292233
-
C00079
-
166.086
Quinolinic acid
Quinolinic acid
ME292285
-
C03722
-
168.0296
5-Guanidino-2-oxopentanoate
2-Oxoarginine
ME292256
-
C03771
-
174.087
N-Acetylornithine
N-Acetylornithine
ME292260
-
C00437
-
175.1074
L-arginine
Arginine
ME292225
-
C00062
-
175.1189
L-Citrulline
Citrulline
ME292254
-
C00327
-
176.1027
Ascorbate
Vitamin C
ME292247
-
C00072
-
177.039
Serotonin
Serotonin
ME292266
-
C00780
-
177.1019
L-tyrosine
Tyrosine
ME292238
-
C00082
-
182.0809
10-Hydroxydecanoic acid
10-Hydroxydecanoic acid
ME292279
-
C02774
-
189.1483
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME292280
-
C17220
-
191.0762
acetyl-carnitine
CAR 2:0
ME292270
-
C02571
-
204.1229
N-Acyl-D-mannosaminolactone
-
ME292277
-
C03792
-
205.0574
L-tryptophan
Tryptophan
ME292237
-
C00078
-
205.0969
L-Kynurenine
Kynurenine
ME292281
-
C00328
-
209.0918
propionyl-carnitine
CAR 3:0
ME292271
-
C03017
-
218.1385
gamma-L-Glutamyl-D-alanine
gamma-L-Glutamyl-D-alanine
ME292249
-
C03738
-
219.0974
8-Methoxykynurenate
-
ME292265
-
C05830
-
220.0577
butanoyl-l-carnitine
CAR 4:0
ME292272
-
C02862
-
232.1541
L-Formylkynurenine
N-Formyl-L-kynurenine
ME292282
-
C02700
-
237.0867
6-Pyruvoyltetrahydropterin
-
ME292275
-
C03684
-
238.0917
L-cystine
Cystine
ME292240
-
C00491
-
241.0291
Hydroxybutyrylcarnitine
CAR 4:0;OH
ME292273
-
-
-
248.1483
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME292245
-
C00647
-
249.0605
hexanoyl-L-carnitine
CAR 6:0
ME292274
-
-
-
260.1852
(5-L-Glutamyl)-L-glutamine
gamma-Glutamylglutamine
ME292250
-
C05283
-
276.1187
2',3'-Cyclic CMP
2',3' cyclic CMP
ME292243
-
C02354
-
306.0502
gamma-Glutamyl-Se-methylselenocysteine
gamma-Glutamyl-Se-methylselenocysteine
ME292248
-
C05695
-
313.0334
L-alanine
Alanine
ME292224
-
C00041
-
90.05559
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
ME292303
-
C00122
-
115.0026
Hexanoic acid
Caproic acid
ME292309
-
C01585
-
115.0753
Succinate
Succinic acid
ME292302
-
C00042
-
117.0183
Heptanoic acid
Heptylic acid
ME292310
-
C17714
-
129.091
Malate
Malic acid
ME292304
-
C00149
-
133.0135
Octanoic acid
Caprylic acid
ME292311
-
C06423
-
143.1069
2-Oxoglutarate
2-Oxoglutaric acid
ME292301
-
C00026
-
145.0135
D-Ribose
Ribose
ME292297
-
C00121
-
149.0449
D-Arabitol
Arabitol
ME292299
-
C01904
-
151.0606
D-Rhamnose
Rhamnose
ME292298
-
C01684
-
163.0606
Urate
Uric acid
ME292289
-
C00366
-
167.0207
Vanillate
Vanillic acid
ME292328
-
C06672
-
167.0368
D-Glyceraldehyde 3-phosphate
Glyceraldehyde 3-phosphate
ME292292
-
C00118
-
168.9889
Glycerol 3-phosphate
sn-Glycero-3-phosphate
ME292308
-
C00093
-
171.006
Decanoic acid
Capric acid
ME292312
-
C01571
-
171.1387
Dehydroascorbate
L-Dehydroascorbic acid
ME292305
-
C05422
-
173.0087
D-Glucose
Glucose
ME292290
-
C00031
-
179.0558
Mannitol
Mannitol
ME292296
-
C00392
-
181.0715
5-Hydroxyisourate
5-Hydroxyisouric acid
ME292288
-
C11821
-
183.0153
Phospho-D-glycerate
2-Phosphoglyceric acid
ME292293
-
C00631
-
184.9841
Undecanoic acid
Undecylic acid
ME292323
-
C17715
-
185.1543
Citrate
Citric acid
ME292300
-
C00158
-
191.0195
Dodecanoic acid
Lauric acid
ME292313
-
C02679
-
199.1701
Tetradecenoic acid
Tetradecenoic acid
ME292316
-
C08322
-
225.1862
Tetradecanoic acid
Myristic acid
ME292314
-
C06424
-
227.2018
Homocarnosine
Homocarnosine
ME292307
-
C00884
-
239.1153
Hexadecenoic acid
Hexadecenoic acid
ME292317
-
C08362
-
253.2183
D-Glucose-phosphate
Hexose 6-phosphate
ME292291
-
C02965
-
259.0234
Adenosine
Adenosine
ME292286
-
C00212
-
266.0893
Inosine
Inosine
ME292287
-
C00294
-
267.0737
a-Linolenic acid
alpha-Linolenic acid
ME292320
-
C06427
-
277.2184
Linoleic acid
Linoleic acid
ME292319
-
C01595
-
279.2341
Octadecenoic acid
Octadecenoic acid
ME292318
-
C00712
-
281.2497
Octadecanoic acid
Stearic acid
ME292315
-
C01530
-
283.2654
Catechin
Catechin
ME292327
-
C17590
-
289.0685
13(S)-HODE
13S-HODE
ME292324
-
C14762
-
295.2287
Arachidonic acid
Arachidonic acid
ME292321
-
C00219
-
303.2342
N-Acetylneuraminate
N-Acetylneuraminic acid
ME292306
-
C00270
-
308.0997
Docosahexaenoic acid
Docosahexaenoic acid
ME292322
-
C06429
-
327.2343
Prostaglandin D2
PGD2
ME292325
-
C00696
-
351.2222
Prostaglandin G2
PGG2
ME292326
-
C05956
-
367.2161
Pyruvate
Pyruvic acid
ME292294
-
C00022
-
87.00746
Lactate
Lactic acid
ME292295
-
C01432
-
89.02312
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