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Return to study ST001931 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Ketobutyric acid
3-Methyl pyruvic acid
ME442340
-
-
-
103.0392
Serine
Serine
ME442341
-
-
-
106.05
Benzylamine
Benzylamine
ME442342
-
-
-
108.0809
Cytosine
Cytosine
ME442343
-
-
-
112.0506
Uracil
Uracil
ME442344
-
-
-
113.0346
Creatinine
Creatinine
ME442345
-
-
-
114.0663
Dihydrouracil
Dihydrouracil
ME442346
-
-
-
115.0503
Guanidoacetic acid
Guanidoacetic acid
ME442347
-
-
-
118.0612
Indole
Indole
ME442348
-
-
-
118.0652
Phenylethylamine
Phenylethylamine
ME442349
-
-
-
122.0964
Benzoic acid
Benzoic acid
ME442350
-
-
-
123.0441
Niacinamide
Niacinamide
ME442351
-
-
-
123.0553
Quinoline
Quinoline
ME442352
-
-
-
130.0652
Creatine
Creatine
ME442353
-
-
-
132.0767
Aspartic acid
Aspartic acid
ME442354
-
-
-
134.0448
Adenine
Adenine
ME442355
-
-
-
136.0618
Hypoxanthine
Hypoxanthine
ME442356
-
-
-
137.0458
Phenylacetic acid
Phenylacetic acid
ME442357
-
-
-
137.0598
Urocanic acid
Urocanic acid
ME442358
-
-
-
139.0502
Glutamine
Glutamine
ME442359
-
-
-
147.0764
Glutamic acid
Glutamic acid
ME442360
-
-
-
148.0604
Methionine
Methionine
ME442361
-
-
-
150.0583
Xanthine
Xanthine
ME442362
-
-
-
153.0407
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME442363
-
-
-
154.0498
Indoleacetaldehyde
Indoleacetaldehyde
ME442364
-
-
-
160.0758
Carnitine
Carnitine
ME442365
-
-
-
162.1125
Phenylpyruvic acid
Phenylpyruvic acid
ME442366
-
-
-
165.0546
Phenylalanine
Phenylalanine
ME442367
-
-
-
166.0862
Pyridoxal
Pyridoxal
ME442368
-
-
-
168.0655
3-Methoxytyramine
3-Methoxytyramine
ME442369
-
-
-
168.1019
Uric acid
Uric acid
ME442370
-
-
-
169.0356
Quinaldic acid
Quinaldic acid
ME442371
-
-
-
174.0549
N-Acetylleucine
N-Acetylleucine
ME442372
-
-
-
174.1124
N-Acetylasparagine
N-Acetylasparagine
ME442373
-
-
-
175.0713
1H-Indole-3-acetamide
1H-Indole-3-acetamide
ME442374
-
-
-
175.0866
Indoleacetic acid
Indoleacetic acid
ME442375
-
-
-
176.0706
Citrulline
Citrulline
ME442376
-
-
-
176.103
Serotonin
Serotonin
ME442377
-
-
-
177.1022
Hippuric acid
Hippuric acid
ME442378
-
-
-
180.0654
(R)-Salsolinol
(R)-Salsolinol
ME442379
-
-
-
180.1018
Tyrosine
Tyrosine
ME442380
-
-
-
182.0811
Indole-3-methyl acetate
Indole-3-methyl acetate
ME442381
-
-
-
190.0862
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME442382
-
-
-
192.0655
Caffeine
Caffeine
ME442383
-
-
-
195.0876
Acetylcarnitine
CAR 2:0
ME442384
-
-
-
204.123
Tryptophan
Tryptophan
ME442385
-
-
-
205.0972
Lipoamide
Lipoamide
ME442386
-
-
-
206.0666
Kynurenine
Kynurenine
ME442387
-
-
-
209.092
Dethiobiotin
Dethiobiotin
ME442388
-
-
-
215.139
Pantothenic acid
Pantothenic acid
ME442389
-
-
-
220.1179
Cystathionine
Cystathionine
ME442390
-
-
-
223.0748
Methyl jasmonate
Methyl jasmonate
ME442391
-
-
-
225.1484
Melatonin
Melatonin
ME442392
-
-
-
233.1284
Cystine
Cystine
ME442393
-
-
-
241.0312
Palmitoleic acid
Palmitoleic acid
ME442394
-
-
-
255.2318
Inosine
Inosine
ME442395
-
-
-
269.0882
Gamma-Linolenic acid
gamma-Linolenic acid
ME442396
-
-
-
279.2319
Linoleic acid
Linoleic acid
ME442397
-
-
-
281.2475
Oleic acid
Oleic acid
ME442398
-
-
-
283.2631
All-trans-retinoic acid
Retinoic acid
ME442399
-
-
-
301.2169
Sphinganine
Sphinganine
ME442400
-
-
-
302.3054
Dodecanoylcarnitine
CAR 12:0
ME442401
-
-
-
344.2795
Cortexolone
11-Deoxycortisol
ME442402
-
-
-
347.2217
Cortisol
Cortisol
ME442403
-
-
-
363.2162
25-Hydroxycholesterol
25-Hydroxycholesterol
ME442404
-
-
-
403.3581
Glycocholic acid
Glycocholic acid
ME442405
-
-
-
466.3163
Biliverdin
Biliverdin
ME442406
-
-
-
583.2551
Bilirubin
Bilirubin
ME442407
-
-
-
585.2701
Thyroxine
Thyroxine
ME442408
-
-
-
777.6939
Aniline
Aniline
ME442338
-
-
-
94.0652
2-Hydroxypyridine
2-Hydroxypyridine
ME442339
-
-
-
96.0445
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
Serine
Serine
ME442409
-
-
-
104.0352
Glyceric acid
Glyceric acid
ME442410
-
-
-
105.0193
Uracil
Uracil
ME442411
-
-
-
111.0199
Creatinine
Creatinine
ME442412
-
-
-
112.0516
Proline
Proline
ME442413
-
-
-
114.056
Acetylglycine
N-Acetylglycine
ME442414
-
-
-
116.0353
3-Mercaptopyruvic acid
3-Mercaptopyruvic acid
ME442415
-
-
-
118.9803
Benzoic acid
Benzoic acid
ME442416
-
-
-
121.0292
3-Hydroxybenzyl alcohol
3-Hydroxybenzyl alcohol
ME442417
-
-
-
123.0451
Imidazoleacetic acid
Imidazoleacetic acid
ME442418
-
-
-
125.0356
Ureidopropionic acid
Ureidopropionic acid
ME442419
-
-
-
131.0458
Aspartic acid
Aspartic acid
ME442420
-
-
-
132.0301
Adenine
Adenine
ME442421
-
-
-
134.0471
4-Acetamidobutanoic acid
4-Acetamidobutanoic acid
ME442422
-
-
-
144.0666
Oxoglutaric acid
2-Oxoglutaric acid
ME442423
-
-
-
145.0142
Glutamine
Glutamine
ME442424
-
-
-
145.0616
trans-Cinnamic acid
trans-Cinnamic acid
ME442425
-
-
-
147.045
Mevalonic acid
Mevalonic acid
ME442426
-
-
-
147.0662
Methionine
Methionine
ME442427
-
-
-
148.0436
Xanthine
Xanthine
ME442428
-
-
-
151.0261
Histidine
Histidine
ME442429
-
-
-
154.062
Pimelic acid
Pimelic acid
ME442430
-
-
-
159.0663
Aminoadipic acid
Aminoadipic acid
ME442431
-
-
-
160.0615
3-Methyldioxyindole
3-Methyldioxyindole
ME442432
-
-
-
162.0559
Phenylalanine
Phenylalanine
ME442433
-
-
-
164.0716
3-(2-Hydroxyphenyl)propanoic acid
3-(2-Hydroxyphenyl)propanoic acid
ME442434
-
-
-
165.0557
Pyridoxal
Pyridoxal
ME442435
-
-
-
166.0509
Uric acid
Uric acid
ME442436
-
-
-
167.0209
Pyridoxine
Pyridoxine
ME442437
-
-
-
168.0666
N-Acetylleucine
N-Acetylleucine
ME442438
-
-
-
172.098
trans-Aconitic acid
trans-Aconitic acid
ME442439
-
-
-
173.009
Shikimic acid
Shikimic acid
ME442440
-
-
-
173.0457
1H-Indole-3-acetamide
1H-Indole-3-acetamide
ME442441
-
-
-
173.072
Suberic acid
Suberic acid
ME442442
-
-
-
173.082
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME442443
-
-
-
174.0407
Indoleacetic acid
Indoleacetic acid
ME442444
-
-
-
174.056
Citrulline
Citrulline
ME442445
-
-
-
174.0883
N-Formyl-L-methionine
N-Formylmethionine
ME442446
-
-
-
176.0388
Hippuric acid
Hippuric acid
ME442447
-
-
-
178.051
Caffeic acid
Caffeic acid
ME442448
-
-
-
179.035
Tyrosine
Tyrosine
ME442449
-
-
-
180.0665
Azelaic acid
Azelaic acid
ME442450
-
-
-
187.0975
N-Alpha-acetyllysine
N(2)-Acetyllysine
ME442451
-
-
-
187.1087
N-Acetylglutamic acid
N-Acetylglutamic acid
ME442452
-
-
-
188.0564
Diaminopimelic acid
Diaminopimelic acid
ME442453
-
-
-
189.0881
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME442454
-
-
-
190.0508
N-Acetyl-L-methionine
N-Acetylmethionine
ME442455
-
-
-
190.0544
Gluconic acid
Gluconic acid
ME442456
-
-
-
195.0511
Pantothenic acid
Pantothenic acid
ME442457
-
-
-
218.1039
5-Hydroxy-L-tryptophan
5-Hydroxy-tryptophan
ME442458
-
-
-
219.0777
Cystine
Cystine
ME442459
-
-
-
239.0159
Palmitic acid
Palmitic acid
ME442460
-
-
-
255.2331
Adenosine
Adenosine
ME442461
-
-
-
266.0891
Heptadecanoic acid
Margaric acid
ME442462
-
-
-
269.2491
1-Methyladenosine
1-Methyladenosine
ME442463
-
-
-
280.1044
Stearic acid
Stearic acid
ME442464
-
-
-
283.2646
Arachidic acid
Arachidic acid
ME442465
-
-
-
311.2962
Adenosine 35-diphosphate
Adenosine 3',5'-diphosphate
ME442466
-
-
-
426.0227
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