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Return to study ST003027 main page
Analysis: Normal phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,1-Dimethyl-prolinium
-
ME780340
-
-
-
84
1,3,7-Trimethyluric acid
1,3,7-Trimethyluric acid
ME780438
-
-
-
196
1,7-Dimethyluric acid
1,7-Dimethyluric acid
ME780423
-
-
-
140
1-Aminopropan-2-ol
Isopropanolamine
ME780269
-
-
-
58.1
1-Methyladenosine
1-Methyladenosine
ME780482
-
-
-
150
1-Methylnicotinamide
1-Methyl nicotinamide
ME780330
-
-
-
94
1-Methylxanthine
1-Methylxanthine
ME780379
-
-
-
110
2-Amino-2-deoxy-D-gluconic acid
-
ME780422
-
-
-
132
2-Aminoisobutyric acid
Aminoisobutyric acid
ME780283
-
-
-
58.2
2-Aminooctanoic acid
2-Aminocaprylic acid
ME780364
-
-
-
114
2'-Deoxyadenosine
Deoxyadenosine
ME780464
-
-
-
136
2-indolecarboxylic acid
-
ME780369
-
-
-
144
2'-O-methylguanosine
2'-O-Methylguanosine
ME780492
-
-
-
152.1
2-Phenylacetamide
2-Phenylacetamide
ME780325
-
-
-
91
2-Phenylglycine
2-Phenylglycine
ME780354
-
-
-
135
2-Piperidone
2-Piperidinone
ME780278
-
-
-
56
2-Thiocytidine
-
ME780470
-
-
-
128
3,5-Diiodo-L-thyronine
3,5-Diiodothyronine
ME780524
-
-
-
480
3,7-Dimethyluric acid
3,7-Dimethyluric acid
ME780424
-
-
-
126
3-Aminoisobutyric acid
3-Aminoisobutanoic acid
ME780284
-
-
-
86
3-Hydroxykynurenine
Hydroxykynurenine
ME780450
-
-
-
208
3-Indoleglyoxylic acid
-
ME780415
-
-
-
144
3-Indolepropionic acid
3-Indolepropionic acid
ME780414
-
-
-
130
3-Iodo-L-tyrosine
Iodotyrosine
ME780497
-
-
-
135.1
3-Methyladenine
3-Methyladenine
ME780350
-
-
-
123.07
3-Methylhistidine
3-Methylhistidine
ME780384
-
-
-
96.1
3-Nitrotyrosine
Nitrotyrosine
ME780451
-
-
-
181
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME780367
-
-
-
134.06
4-Acetamidobutyric acid
4-Acetamidobutanoic acid
ME780344
-
-
-
86
4-Aminobutyric acid
4-Aminopentanoic acid
ME780285
-
-
-
87
4-(Trimethylammonio)butanoate
3-Dehydroxycarnitine
ME780345
-
-
-
87
5alpha-Pregnane-3,20-dione
5alpha-Pregnane-3,20-dione
ME780502
-
-
-
299
5-Aminovaleric acid
5-Aminopentanoic acid
ME780298
-
-
-
101
5'-Deoxy-5'-methylthioadenosine
5'-Methylthioadenosine
ME780491
-
-
-
136
5-Hydroxyindole-3-acetic acid
5-Hydroxyindoleacetic acid
ME780418
-
-
-
146
5-Hydroxylysine
5-Hydroxylysine
ME780373
-
-
-
128
5-hydroxymethyl-2'-deoxycytidine
-
ME780466
-
-
-
142
5-Hydroxymethylcytidine
-
ME780478
-
-
-
142.1
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME780431
-
-
-
162.1
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME780434
-
-
-
160.1
5-Methoxytryptamine
5-Methoxytryptamine
ME780417
-
-
-
159
5-Methoxytryptophan
5-Methoxytryptophan
ME780456
-
-
-
218
5-methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME780458
-
-
-
126.1
5-Methylcytidine
5-Methylcytidine
ME780465
-
-
-
126.1
5-Methylcytosine
5-Methylcytosine
ME780306
-
-
-
109
6-Hydroxymelatonin
6-Hydroxymelatonin
ME780463
-
-
-
190.1
6-Hydroxynicotinic acid
6-Hydroxynicotinic acid
ME780336
-
-
-
122
6-Methyladenine
6-Methyladenine
ME780349
-
-
-
150.08
7-Ketocholesterol
7-Oxo-cholesterol
ME780517
-
-
-
383
7-Methylguanine
7-Methylguanine
ME780375
-
-
-
149
7-Methylguanosine
7-Methylguanosine
ME780493
-
-
-
166
7-Methylxanthine
7-Methylxanthine
ME780378
-
-
-
124
8-Hydroxy-2'-deoxyguanosine
8-Hydroxy-deoxyguanosine
ME780483
-
-
-
168.4
8-Hydroxyguanosine
8-Hydroxyguanosine
ME780494
-
-
-
168.1
Abrine
-
ME780442
-
-
-
188
Acadesine
AICAR
ME780469
-
-
-
127
Acetaminophen
Acetaminophen
ME780352
-
-
-
110.1
Acetaminophen glucuronide
p-Acetamidophenylglucuronide
ME780504
-
-
-
152
Acetylcholine
Acetylcholine
ME780342
-
-
-
87
Acetyl coenzyme A
Acetyl-CoA
ME780531
-
-
-
303
Acetylleucine
-
ME780386
-
-
-
86
Adenine
Adenine
ME780326
-
-
-
119
Adenosine
Adenosine
ME780474
-
-
-
136
Adenosine monophosphate
AMP
ME780509
-
-
-
136
Adrenosterone
Adrenosterone
ME780495
-
-
-
301.18
Agmatine
Agmatine
ME780316
-
-
-
72
Aminocaproic acid
Aminocaproic acid
ME780321
-
-
-
114.1
Anserine
Anserine
ME780457
-
-
-
109
beta-Alanine
beta-Alanine
ME780276
-
-
-
72
Betaine
Betaine
ME780294
-
-
-
58
Biliverdin
Biliverdin
ME780525
-
-
-
297
Biotin
Biotin
ME780461
-
-
-
227
Butylamine
Butylamine
ME780268
-
-
-
57
Caffeine
Caffeine
ME780420
-
-
-
138.1
Carbocysteine
S-Carboxymethyl-cysteine
ME780398
-
-
-
163
Chenodeoxycholic acid
Chenodeoxycholic acid
ME780511
-
-
-
95.1
Choline
Choline
ME780280
-
-
-
60
Citicoline
CDP-choline
ME780523
-
-
-
264
Corticosterone
Corticosterone
ME780508
-
-
-
329
Cortisone
Cortisone
ME780512
-
-
-
163.1
Cotinine
Cotinine
ME780393
-
-
-
80
Creatine
Creatine
ME780320
-
-
-
90
Creatinine
Creatinine
ME780291
-
-
-
86
Cyanocobalamin
Cyanocobalamin
ME780528
-
-
-
359.2
Cyclohexylamine
Cyclohexylamine
ME780279
-
-
-
83.1
Cystamine
Cystamine
ME780358
-
-
-
76
Cysteine-S-sulfate
Cysteine-S-sulfate
ME780427
-
-
-
120
Cytidine
Cytidine
ME780459
-
-
-
112.1
Cytidine-5'-monophosphate
CMP
ME780503
-
-
-
112
Cytosine
Cytosine
ME780289
-
-
-
95
D-Alanyl-D-alanine
D-Alanyl-D-Alanine
ME780366
-
-
-
90
Dehydroepiandrosterone
Dehydroepiandrosterone
ME780488
-
-
-
253
D-Galactosamine
Galactosamine
ME780397
-
-
-
162.1
D-Glucosamine
Glucosamine
ME780396
-
-
-
162
D-Glucosamine-6-sulfate
Glucosamine 6-sulfate
ME780471
-
-
-
242.1
Diethanolamine
Diethanolamine
ME780286
-
-
-
88.1
D-Mannosamine
2-Amino-2-deoxy-D-mannose
ME780395
-
-
-
162.1
Dopamine
Dopamine
ME780360
-
-
-
137.1
Ectoine
Ectoine
ME780339
-
-
-
97.1
Epinephrine
Epinephrine
ME780407
-
-
-
166
Estrone
Estrone
ME780477
-
-
-
253.2
Ethanolamine
Ethanolamine
ME780265
-
-
-
44.2
Flavin mononucleotide
FMN
ME780521
-
-
-
439
Folic Acid
Folic acid
ME780519
-
-
-
295
Galactosylsphingosine
Psychosine
ME780522
-
-
-
282.3
gamma-Glutamylalanine
gamma-Glutamylalanine
ME780443
-
-
-
202
gamma-Glutamylmethionine
gamma-Glutamylmethionine
ME780480
-
-
-
150
gamma-L-Glutamyl-L-valine
-
ME780462
-
-
-
118
Glutathione
Glutathione
ME780498
-
-
-
233.1
Glyceraldehyde
Glyceraldehyde
ME780277
-
-
-
65
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME780467
-
-
-
125
Glycyl-L-Leucine
Gly-Leu
ME780409
-
-
-
132
Glycylphenylalanine
Gly-Phe
ME780448
-
-
-
120.2
Glycylproline
Gly-Pro
ME780385
-
-
-
116
Guanidinosuccinic acid
Guanidinosuccinic acid
ME780392
-
-
-
134
Guanine
Guanine
ME780353
-
-
-
135
Guanosine
Guanosine
ME780484
-
-
-
152
Histamine
Histamine
ME780290
-
-
-
95
Histidinol
L-Histidinol
ME780337
-
-
-
124
Homocitrulline
Homocitrulline
ME780416
-
-
-
173
Homocysteine thiolactone
L-Homocysteine thiolactone
ME780293
-
-
-
90.1
Hordenine
Hordenine
ME780374
-
-
-
121
Hydrocortisone
Cortisol
ME780513
-
-
-
121
Hydroxyproline
Hydroxyproline
ME780319
-
-
-
68
Hydroxytyrosol
Hydroxytyrosol
ME780331
-
-
-
91
Hypotaurine
Hypotaurine
ME780288
-
-
-
92
Hypoxanthine
Hypoxanthine
ME780329
-
-
-
119.04
Imidazole
Imidazole
ME780266
-
-
-
42
Imidazoleacetic acid
Imidazoleacetic acid
ME780310
-
-
-
81
Indole-3-acetic acid
Indoleacetic acid
ME780390
-
-
-
130
Indole-3-butyric acid
3-Indolebutyric acid
ME780429
-
-
-
186
Indole-3-carboxylic acid
Indole-3-carboxylic acid
ME780368
-
-
-
118
Indole-3-lactic acid
Indole-3-lactic acid
ME780435
-
-
-
118
Inosinic acid
IMP
ME780510
-
-
-
137
Isoamylamine
3-Methyl-1-butylamine
ME780272
-
-
-
43
Isobutyrylglycine
Isobutyrylglycine
ME780343
-
-
-
76
Kynurenine
Kynurenine
ME780437
-
-
-
192
L-2-Aminoadipic?Acid
Aminoadipic acid
ME780371
-
-
-
98.1
L-2-Aminobutyric acid
2S-Aminobutyric acid
ME780282
-
-
-
104.07
L-Alanine
Alanine
ME780275
-
-
-
44
L-Allothreonine
Allothreonine
ME780299
-
-
-
79
L-alpha-Aspartyl-L-phenylalanine
-
ME780481
-
-
-
120
L-Arginine
Arginine
ME780389
-
-
-
70
L-Argininosuccinic Acid
Argininosuccinic acid
ME780490
-
-
-
70
L-Asparagine
Asparagine
ME780322
-
-
-
74
L-Aspartic acid
Aspartic acid
ME780324
-
-
-
88
L-Carnitine
Carnitine
ME780370
-
-
-
103
L-Carnosine
Carnosine
ME780452
-
-
-
110
L-Citrulline
Citrulline
ME780391
-
-
-
159
L-Cystathionine
Cystathionine
ME780447
-
-
-
134
L-Cysteinesulfinic acid
3-Sulfino-alanine
ME780361
-
-
-
136
L-Dopa
DOPA
ME780426
-
-
-
181
Leucyl-Valine
Leu-Val
ME780454
-
-
-
86
L-Glutamic acid
Glutamic acid
ME780348
-
-
-
84
L-Glutamine
Glutamine
ME780346
-
-
-
130
L-Glycine
Glycine
ME780271
-
-
-
30
L-Homoarginine
Homoarginine
ME780412
-
-
-
144.1
L-Homocystine
Homocystine
ME780476
-
-
-
136
L-Homoserine
Homoserine
ME780301
-
-
-
74
L-Leucine
Leucine
ME780317
-
-
-
86
L-Lysine
Lysine
ME780347
-
-
-
84
L-Methionine
Methionine
ME780351
-
-
-
104
L-Nicotine
Nicotine
ME780372
-
-
-
163.12
L-Ornithine
Ornithine
ME780323
-
-
-
70
L-Phenylalanine
Phenylalanine
ME780376
-
-
-
120
L-Pipecolic acid
Pipecolic acid
ME780312
-
-
-
84
L-Proline
Proline
ME780292
-
-
-
70
L-Pyroglutamic acid
Pyroglutamic acid
ME780313
-
-
-
84
L-Saccharopine
Saccharopine
ME780479
-
-
-
213.1
L-Serine
Serine
ME780287
-
-
-
60
L-Threonine
Threonine
ME780300
-
-
-
74
L-Tryptophan
Tryptophan
ME780432
-
-
-
188
L-Tyrosine
Tyrosine
ME780403
-
-
-
91
L-Valine
Valine
ME780296
-
-
-
72
Maltol
Maltol
ME780308
-
-
-
109
Mannitol
Mannitol
ME780405
-
-
-
69
Melatonin
Melatonin
ME780455
-
-
-
174.1
Menatetrenone
-
ME780520
-
-
-
225
Mercaptopurine
Mercaptopurine
ME780355
-
-
-
153.02
Metformin
Metformin
ME780311
-
-
-
71.1
Methionine sulfoxide
Methionine sulfoxide
ME780377
-
-
-
74
Methionine sulfoximine
Methionine sulfoximine
ME780402
-
-
-
102.1
Methyl vitamin B12
-
ME780527
-
-
-
147.3
Mevalonolactone
Mevalonolactone
ME780314
-
-
-
69.1
Morpholine
-
ME780273
-
-
-
70
N-(2-Furoyl)glycine
2-Furoylglycine
ME780383
-
-
-
95
N-3-Methyluridine
N-3-Methyluridine
ME780468
-
-
-
127
N6-Acetyl-L-lysine
N6-Acetyllysine
ME780411
-
-
-
84
N6,N6,N6-Trimethyl-L-lysine
N-6-Trimethyllysine
ME780413
-
-
-
130
N-Acetyl-5-hydroxytryptamine
N-Acetylserotonin
ME780440
-
-
-
160.1
N-Acetylcadaverine
N-Acetylcadaverine
ME780341
-
-
-
86
N-Acetylcarnosine
N-Acetylcarnosine
ME780475
-
-
-
156.1
N-Acetyl-D-Glucosamine
N-Acetylglucosamine
ME780446
-
-
-
138
N-Acetylglucosaminylasparagine
Aspartylglycosamine
ME780506
-
-
-
126
N-Acetylglutamine
N-Acetylglutamine
ME780410
-
-
-
130
N-Acetylglycine
N-Acetylglycine
ME780297
-
-
-
76
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME780436
-
-
-
120
N-Acetyl-L-tyrosine
N-Acetyltyrosine
ME780449
-
-
-
136
N-Acetyl-Neuraminic Acid
N-Acetylneuraminic acid
ME780499
-
-
-
274
N-Acetylornithine
N-Acetylornithine
ME780388
-
-
-
115
N-Acetylputrescine
N-Acetylputrescine
ME780315
-
-
-
114
NAD+
NAD
ME780526
-
-
-
524
NADPH
NADPH
ME780530
-
-
-
509
Nicotinamide
Niacinamide
ME780304
-
-
-
80
Nicotinamide adenine dinucleotide phosphate
NADP
ME780529
-
-
-
508
Nicotinamide mononucleotide
Nicotinamide ribotide
ME780505
-
-
-
123
Nicotinamide N-oxide
Nicotinamide N-oxide
ME780334
-
-
-
106
Nicotinic acid
Nicotinic acid
ME780305
-
-
-
80
Nicotinuric acid
Nicotinuric acid
ME780401
-
-
-
135
Nicotyrine
Nicotyrine
ME780363
-
-
-
144
N-Methylnicotinamide
N-Methylnicotinamide
ME780328
-
-
-
80
N,N-Dimethyl-5-methoxytryptamine
-
ME780441
-
-
-
174
N,N-Dimethylarginine
Dimethylarginine
ME780428
-
-
-
203.1
N,N-Dimethylglycine
Dimethylglycine
ME780281
-
-
-
58
N,N-Dimethylguanosine
N2,N2-Dimethylguanosine
ME780500
-
-
-
180
Normetanephrine
Normetanephrine
ME780406
-
-
-
166
Norvaline
Norvaline
ME780295
-
-
-
72.1
N-Propionylglycine
-
ME780318
-
-
-
76
O-Acetylcarnitine
CAR 2:0
ME780430
-
-
-
145
O-Benzyl-L-serine
-
ME780421
-
-
-
91.1
Octopamine
Octopamine
ME780359
-
-
-
91
O-Phosphoethanolamine
Phosphoethanolamine
ME780338
-
-
-
44
O-Phospho-L-Serine
Phosphoserine
ME780408
-
-
-
88
O-Succinyl-L-homoserine
o-Succinylhomoserine
ME780445
-
-
-
102
Oxypurinol
Oxypurinol
ME780356
-
-
-
136
Panthenol
Pantothenol
ME780433
-
-
-
188.13
Pantothenic acid
Pantothenic acid
ME780444
-
-
-
202
Paraxanthine
Paraxanthine
ME780399
-
-
-
124.1
Phenylethylamine
Phenylethylamine
ME780303
-
-
-
105
Piperine
Piperine
ME780486
-
-
-
201
Progesterone
Progesterone
ME780501
-
-
-
97
Propionylcarnitine
CAR 3:0
ME780439
-
-
-
159.1
Propionyl-CoA
Propionyl-CoA
ME780532
-
-
-
317
Pseudouridine
Pseudouridine
ME780460
-
-
-
209
Purine
Purine
ME780302
-
-
-
94
Pyridoxal
Pyridoxal
ME780380
-
-
-
150
Pyridoxamine
Pyridoxamine
ME780381
-
-
-
152
Pyridoxine
Pyridoxine
ME780382
-
-
-
134
Pyrrolidine
Pyrrolidine
ME780267
-
-
-
30
Quinoline-2-carboxylic acid
Quinaldic acid
ME780387
-
-
-
128
Resveratrol
Resveratrol
ME780453
-
-
-
135
Retinal
Retinal
ME780485
-
-
-
161
Riboflavin
Riboflavin
ME780514
-
-
-
243
S-Adenosyl-L-homocysteine
S-Adenosylhomocysteine
ME780515
-
-
-
136
S-Adenosylmethionine
S-Adenosylmethionine
ME780516
-
-
-
250
Sarcosine
Sarcosine
ME780274
-
-
-
44
Scopoletin
Scopoletin
ME780419
-
-
-
133
Selenomethionine
Selenomethionine
ME780425
-
-
-
181
Serotonin
Serotonin
ME780394
-
-
-
160
S-Methyl-L-cysteine
Methylcysteine
ME780327
-
-
-
73
Sorbitol
Sorbitol
ME780404
-
-
-
129
Taurine
Taurine
ME780307
-
-
-
108
Testosterone
Testosterone
ME780487
-
-
-
109.3
Theobromine
Theobromine
ME780400
-
-
-
138
Thiamine
Thiamine
ME780472
-
-
-
122
Thiamine monophosphate
Thiamine monophosphate
ME780507
-
-
-
224
Thiamine pyrophosphate
Thiamine diphosphate
ME780518
-
-
-
304
Threonylphenylalanine
Thr-Phe
ME780473
-
-
-
166.1
Thymine
Thymine
ME780309
-
-
-
110
Tiglylglycine
Tiglylglycine
ME780362
-
-
-
83
Tretinoin
Retinoic acid
ME780496
-
-
-
161
Trigonelline
Trigonelline
ME780333
-
-
-
94
Trimethoprim
Trimethoprim
ME780489
-
-
-
230
Trimethylamine N-oxide
Trimethylamine N-oxide
ME780270
-
-
-
59
Tryptamine
Tryptamine
ME780365
-
-
-
144
Tyramine
Tyramine
ME780332
-
-
-
103
Urea
Urea
ME780264
-
-
-
44
Urocanic acid
Urocanic acid
ME780335
-
-
-
121
Xylitol
Xylitol
ME780357
-
-
-
117.1
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,3-Dimethyluric-Acid
1,3-Dimethyluric acid
ME780670
-
-
-
180
1,4-Dihydronicotinamide adenine dinucleotide
-
ME780752
-
-
-
397
1,5-Anhydro-D-Glucitol
1,5-Anhydrosorbitol
ME780612
-
-
-
101
1-Kestose
1-Kestose
ME780741
-
-
-
71.04
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME780597
-
-
-
109
2,4-Dihydroxybenzoic acid
2,4-Dihydroxybenzoic acid
ME780599
-
-
-
109
2,4-Dihydroxypyrimidine-5-carboxylic acid
Uracil-5-carboxylic acid
ME780602
-
-
-
68
2-dehydro-D-gluconic acid
2-Dehydro-D-gluconic acid
ME780666
-
-
-
103
2'-Deoxyadenosine-5'-monophosphate
dAMP
ME780705
-
-
-
79
2'-Deoxycytidine diphosphate
dCDP
ME780719
-
-
-
159
2'-Deoxyguanosine-5'-diphosphate
dGDP
ME780730
-
-
-
408
2'-Deoxyguanosine 5'-monophosphate
dGMP
ME780712
-
-
-
150
2'-Deoxyuridine
Deoxyuridine
ME780684
-
-
-
94
2'-Deoxyuridine 5'-triphosphate
dUTP
ME780736
-
-
-
369
2-Furoic acid
2-Furoic acid
ME780543
-
-
-
67.02
2-Hydroxy-2-methylbutyric acid
2-Hydroxy-2-methyl-butyric acid
ME780549
-
-
-
71
2-Hydroxy-3-methylbutyric acid
2-Hydroxy-3-methylbutyric acid
ME780548
-
-
-
71
2-Hydroxyadipic acid
2-Hydroxyadipic acid
ME780608
-
-
-
143
2-Hydroxybutyric acid
2-Hydroxybutyric acid
ME780538
-
-
-
57
2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic acid
ME780591
-
-
-
107
2-Isopropylmalic acid
2-Isopropylmalic acid
ME780632
-
-
-
115
2-Ketoglutaric?Acid
2-Oxoglutaric acid
ME780581
-
-
-
101
2-Methoxybenzoic acid
2-Methoxybenzoic acid
ME780595
-
-
-
77
2-Methylbenzoic acid
-
ME780574
-
-
-
91.05
2-Methylcitric acid
2-Methylcitric acid
ME780679
-
-
-
125
2-Methylglutaric acid
2-Methylglutaric acid
ME780579
-
-
-
101
2-Oxohexanoic acid
2-Ketocaproic acid
ME780559
-
-
-
101.3
3-(3-Hydroxyphenyl)propanoic acid
3-(3-Hydroxyphenyl)propanoic acid
ME780615
-
-
-
121.06
3,5-Dihydroxybenzoic acid
3,5-Dihydroxybenzoic acid
ME780600
-
-
-
109
3-Guanidinopropionic acid
3-Guanidinopropanoic acid
ME780565
-
-
-
88
3-Hydroxy-3-methylglutaric acid
3-Hydroxymethylglutaric acid
ME780607
-
-
-
99
3-Hydroxyanthranilic acid
3-Hydroxyanthranilic acid
ME780596
-
-
-
108
3-Hydroxybutyric acid
3-Hydroxybutyric acid
ME780539
-
-
-
59
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME780654
-
-
-
59
3-Hydroxyglutaric acid
3-Hydroxyglutaric acid
ME780586
-
-
-
85
3-Hydroxyisobutyric acid
3-Hydroxyisobutyric acid
ME780540
-
-
-
73
3-Hydroxypropionic acid
Hydroxypropionic acid
ME780535
-
-
-
59
3-Indoleacrylic Acid
Indoleacrylic acid
ME780653
-
-
-
142
3-Methoxybenzoic acid
-
ME780592
-
-
-
107
3-Methoxytyrosine
3-Methoxytyrosine
ME780681
-
-
-
134
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME780560
-
-
-
101
3-Methyladipic acid
3-Methyladipic acid
ME780604
-
-
-
115
3-(Methylthio)propionate
3-Methyl-thiopropionic acid
ME780553
-
-
-
47
3-Methyluric acid
3-Methyluric acid
ME780649
-
-
-
138
3-Methylxanthine
3-Methylxanthine
ME780613
-
-
-
122
3-Oxocholic acid
3-Dehydrocholic acid
ME780725
-
-
-
289
3-Ureidopropionic acid
Ureidopropionic acid
ME780569
-
-
-
88
4-Hydroxybenzoic acid
4-Hydroxybenzoic acid
ME780578
-
-
-
93
4-Hydroxyhippuric acid
4-Hydroxyhippuric acid
ME780669
-
-
-
100
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME780639
-
-
-
107
4-Methylhippuric acid
-
ME780664
-
-
-
148.1
4-(Methylthio)benzoic acid
-
ME780619
-
-
-
123
4-Pyridoxic acid
4-Pyridoxic acid
ME780651
-
-
-
138
5-Aminoimidazole-4-carboxamide
5-Aminoimidazole-4-carboxamide
ME780558
-
-
-
108
5-Hydroxyindole
5-Hydroxyindole
ME780572
-
-
-
104
6-Hydroxyhexanoic acid
6-Hydroxycaproic acid
ME780567
-
-
-
85.06
7-Ketodeoxycholic acid
7-Ketodeoxycholic acid
ME780726
-
-
-
289
Acarbose
Acarbose
ME780751
-
-
-
160.99
Acetoacetic acid
Acetoacetic acid
ME780537
-
-
-
57
Acetylcysteine
N-Acetylcysteine
ME780609
-
-
-
84
Adenosine-5'-diphosphate
ADP
ME780729
-
-
-
328
Adenosine-5'-triphosphate
ATP
ME780743
-
-
-
158.8
Adipic acid
Adipic acid
ME780580
-
-
-
83
Aldosterone
Aldosterone
ME780715
-
-
-
189.1
Allantoic acid
Allantoic acid
ME780633
-
-
-
89
alpha-Cyano-4-hydroxycinnamic acid
-
ME780656
-
-
-
144
alpha-Linolenic acid
alpha-Linolenic acid
ME780696
-
-
-
259.21
Aminohippuric acid
Aminohippuric acid
ME780665
-
-
-
149
Anthranilic acid
2-Aminobenzoic acid
ME780576
-
-
-
92
Atrolactic acid
-
ME780614
-
-
-
121
Azelaic acid
Azelaic acid
ME780655
-
-
-
125.1
Benzoic acid
Benzoic acid
ME780554
-
-
-
77
Benzoylformic acid
-
ME780587
-
-
-
77
beta-Hydroxyisovaleric acid
3-Hydroxyisovaleric acid
ME780550
-
-
-
59
Bilirubin
Bilirubin
ME780748
-
-
-
285
Caffeic acid
Caffeic acid
ME780645
-
-
-
135
Cellobiose
Cellobiose
ME780707
-
-
-
160.98
Cholic acid
Cholic acid
ME780727
-
-
-
343
Cinnamoylglycine
Cinnamoylglycine
ME780675
-
-
-
160
cis-Aconitic acid
cis-Aconitic acid
ME780630
-
-
-
129
Citraconic acid
Citraconic acid
ME780561
-
-
-
85
Citramalic acid
Citramalic acid
ME780585
-
-
-
87
Citric Acid
Citric acid
ME780661
-
-
-
111
Cyclamic acid
Cyclamic acid
ME780637
-
-
-
80
Cyclic AMP
3',5' cyclic AMP
ME780704
-
-
-
134
Cyclic guanosine monophosphate
3',5' cyclic GMP
ME780711
-
-
-
150
Cysteic Acid
Cysteic acid
ME780625
-
-
-
81
Cytidine-5'-diphosphate
CDP
ME780723
-
-
-
384
Cytidine-5'-triphosphate
CTP
ME780739
-
-
-
159
D-(+)-Allose
Allose
ME780644
-
-
-
88.96
Deoxycholic acid
Deoxycholic acid
ME780721
-
-
-
345.2
Desaminotyrosine
Desaminotyrosine
ME780616
-
-
-
121
D-Fructose
Fructose
ME780642
-
-
-
88.96
D-Glucose
Glucose
ME780646
-
-
-
88.96
D-Glucuronic Acid
Glucuronic acid
ME780667
-
-
-
73
Dodecanedioic acid
Dodecanedioic acid
ME780685
-
-
-
211.1
Dopamine 3-O-sulfate
Dopamine 3-O-sulfate
ME780688
-
-
-
152
Dopamine 4-O-sulfate
-
ME780689
-
-
-
152
D-Ribulose 1,5-bisphosphate
Ribulose 1,5-bisphosphate
ME780702
-
-
-
97
D-Tagatose
D-Tagatose
ME780641
-
-
-
88.96
Enoxolone
-
ME780737
-
-
-
425
Erythritol
Erythritol
ME780555
-
-
-
89
Ethylmalonic acid
Ethylmalonic acid
ME780568
-
-
-
87
Flavin adenine dinucleotide
FAD
ME780754
-
-
-
437
Formiminoglutamic acid
Formiminoglutamic acid
ME780629
-
-
-
128
Fructose-6-phosphate
Fructose 6-phosphate
ME780693
-
-
-
97
Fumaric acid
Fumaric acid
ME780546
-
-
-
71
Galactitol
Galactitol
ME780650
-
-
-
101
Gallic acid
Gallic acid
ME780626
-
-
-
125
gamma-Carboxyglutamic acid
gamma-Carboxy-glutamic acid
ME780659
-
-
-
102
GDP-L-Fucose
GDP-L-fucose
ME780749
-
-
-
442
Gentiobiose
-
ME780710
-
-
-
71.04
Gentisic acid
Gentisic acid
ME780598
-
-
-
109
Glucaric acid
Glucaric acid
ME780680
-
-
-
85
Gluconic acid
Gluconic acid
ME780671
-
-
-
75
Gluconolactone
Gluconolactone
ME780636
-
-
-
129
Glucose 1-phosphate
Glucose 1-phosphate
ME780692
-
-
-
79
Glutaric acid
Glutaric acid
ME780571
-
-
-
87
Glutathione Disulfide
Oxidized glutathione
ME780750
-
-
-
306
Glyceric acid
Glyceric acid
ME780541
-
-
-
75
Glycerophosphoric acid
sn-Glycero-3-phosphate
ME780627
-
-
-
79
Glycochenodeoxycholic acid
Glycochenodeoxycholic acid
ME780734
-
-
-
74
Glycocholic acid
Glycocholic acid
ME780735
-
-
-
74
Glycodeoxycholic acid
Glycodeoxycholic acid
ME780733
-
-
-
402
Glycolic Acid
Glycolic acid
ME780533
-
-
-
47
Guanidoacetic acid
Guanidoacetic acid
ME780547
-
-
-
74
Guanosine-5'-diphosphate
GDP
ME780732
-
-
-
159
Guanosine-5'-monophosphate
GMP
ME780716
-
-
-
211
Hexadecanedioic acid
Hexadecanedioic acid
ME780699
-
-
-
267.2
Hippuric acid
Hippuric acid
ME780638
-
-
-
134
Homogentisic acid
Homogentisic acid
ME780621
-
-
-
123
Homovanillic acid
Homovanillic acid
ME780640
-
-
-
137
Hydroxyisocaproic acid
Hydroxyisocaproic acid
ME780566
-
-
-
85.1
Inosine
Inosine
ME780695
-
-
-
135
Inosine diphosphate
IDP
ME780731
-
-
-
135
Inositol
Inositol
ME780647
-
-
-
161
Isocitric acid
Isocitric acid
ME780662
-
-
-
111
Itaconic acid
Itaconic acid
ME780563
-
-
-
85
Kynurenic acid
Kynurenic acid
ME780657
-
-
-
144
Lactic acid
Lactic acid
ME780536
-
-
-
43
Lactose
Lactose
ME780709
-
-
-
160.98
L-Arabinose
Lyxose
ME780588
-
-
-
88.97
Levulinic-acid
Levulinic acid
ME780545
-
-
-
71
L-Homocysteic?Acid
Homocysteic acid
ME780652
-
-
-
80
Lithocholic acid
Lithocholic acid
ME780718
-
-
-
375.3
L-Malic acid
Malic acid
ME780573
-
-
-
115
L-Methionine sulfone
Methionine sulfone
ME780648
-
-
-
79
L-Rhamnose
Rhamnose
ME780611
-
-
-
88.97
L-Sorbose
Sorbose
ME780643
-
-
-
88.96
L-Tartaric acid
Tartaric acid
ME780589
-
-
-
87
L-Threonic acid
Threonic acid
ME780575
-
-
-
75
Maleic acid
Maleic acid
ME780544
-
-
-
71.03
Maltotetraose
Maltotetraose
ME780753
-
-
-
341.08
Mandelic acid
Mandelic acid
ME780594
-
-
-
107.05
Mannose 6-phosphate
Mannose 6-phosphate
ME780694
-
-
-
97
Mesaconic acid
Mesaconic acid
ME780562
-
-
-
85
Methyl hippurate
Methyl hippurate
ME780663
-
-
-
160
Methylmalonic acid
Methylmalonic acid
ME780551
-
-
-
73.1
Methyl salicylate
-
ME780590
-
-
-
136
Methylsuccinic acid
Methylsuccinic acid
ME780570
-
-
-
87
Mevalonic acid
Mevalonic acid
ME780584
-
-
-
59
Myristic acid
Myristic acid
ME780683
-
-
-
227.2
N4-Acetylcytidine
N4-Acetylcytidine
ME780698
-
-
-
109
N-Acetyl-D-Glucosamine 6-Phosphate
N-Acetyl-glucosamine 6-phosphate
ME780700
-
-
-
199
N-Acetyl-L-alanine
N-Acetylalanine
ME780564
-
-
-
88
N-Acetyl-L-aspartic acid
N-Acetylaspartic acid
ME780631
-
-
-
88
N-Acetyl-L-glutamic acid
N-Acetyl-mannosamine
ME780658
-
-
-
102.05
N-Acetyl-S-(3-hydroxypropyl)cysteine
N-Acetyl-S-(3-hydroxypropyl)-cysteine
ME780682
-
-
-
89
N-Acetylserine
N-Acetylserine
ME780582
-
-
-
116
Naringin
Naringin
ME780746
-
-
-
271
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME780634
-
-
-
132
N-Formyl-L-methionine
N-Formylmethionine
ME780635
-
-
-
98.02
N-Isovaleroylglycine
-
ME780603
-
-
-
74
Nutriacholic acid
7-Ketolithocholic acid
ME780720
-
-
-
273
o-Methoxyphenyl sulfate
-
ME780674
-
-
-
108
Orotic acid
Orotic acid
ME780601
-
-
-
111
Orsellinic acid
-
ME780620
-
-
-
167.03
p-Cresol
P-Cresol
ME780542
-
-
-
77.2
p-Cresol glucuronide
P-Cresol glucuronide
ME780697
-
-
-
113
Phenoxyacetic acid
-
ME780593
-
-
-
93
Phenylpyruvic acid
Phenylpyruvic acid
ME780610
-
-
-
91
Phloroglucinol
-
ME780557
-
-
-
83
Phosphoenolpyruvic acid
Phosphoenolpyruvic acid
ME780624
-
-
-
79
p-Hydroxymandelic acid
4-Hydroxymandelic acid
ME780622
-
-
-
167.03
Picolinic acid
Picolinic acid
ME780556
-
-
-
78
Pimelic acid
Pimelic acid
ME780605
-
-
-
97
Prostaglandin D1
PGD1
ME780714
-
-
-
317.2
Prostaglandin E2
PGE2
ME780713
-
-
-
271
Pyrogallol-1-O-sulphate
Pyrogallol 1-sulfate
ME780677
-
-
-
123
Pyruvic acid?
Pyruvic acid
ME780534
-
-
-
32
Quinic acid
Quinic acid
ME780660
-
-
-
85
Quinolinic acid
Quinolinic acid
ME780618
-
-
-
122
Raffinose
Raffinose
ME780742
-
-
-
221.12
Ribose-5-Phosphate
Ribose 5-phosphate
ME780687
-
-
-
79
Salicylic acid
Salicylic acid
ME780577
-
-
-
93
Salicyluric acid
Salicyluric acid
ME780668
-
-
-
93
Sebacic acid
Sebacic acid
ME780673
-
-
-
139.1
Spaglumic acid
N-Acetyl-Asp-Glu
ME780701
-
-
-
128
Suberic acid
Suberic acid
ME780628
-
-
-
111
Succinic acid
Succinic acid
ME780552
-
-
-
73
Sucrose
Sucrose
ME780706
-
-
-
179.08
Taurochenodeoxycholate
Taurochenodeoxycholic acid
ME780740
-
-
-
80
Taurocholic acid
Taurocholic acid
ME780744
-
-
-
80
Terephthalic acid
Terephthalic acid
ME780617
-
-
-
121
Thioctic acid
-
ME780678
-
-
-
171.1
Thymidine
Thymidine
ME780690
-
-
-
151
Thymidine-5'-diphosphate
-
ME780722
-
-
-
159
Thymidine-5'-phosphate
dTMP
ME780703
-
-
-
195
Thymidine-5-triphosphate
TMP
ME780738
-
-
-
383
trans-Cinnamic acid
trans-Cinnamic acid
ME780583
-
-
-
103
Trehalose
Trehalose
ME780708
-
-
-
179.08
Trehalose-6-phosphate
Trehalose 6-phosphate
ME780728
-
-
-
241
Tryptophol
Tryptophanol
ME780606
-
-
-
130
UDP-D-glucose
UDP-glucose
ME780745
-
-
-
323
Uric acid
Uric acid
ME780623
-
-
-
124
Uridine
Uridine
ME780691
-
-
-
200
Uridine-5'-diphosphate
UDP
ME780724
-
-
-
111
Uridine diphosphate glucuronic acid
UDP-glucuronic acid
ME780747
-
-
-
403
Vanillylmandelic acid
Vanillylmandelic acid
ME780672
-
-
-
137
Xanthurenic acid
Xanthurenic acid
ME780676
-
-
-
160
Xanthylic acid (XMP)
-
ME780717
-
-
-
211
Xylulose 5-phosphate
Xylulose 5-phosphate
ME780686
-
-
-
79
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