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Return to study ST002476 main page
Analysis: CE POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1-Methyl-2-pyrrolidinone
N-Methylpyrrolidin-2-one
ME590463
-
-
-
100.0774
Cyclohexylamine
Cyclohexylamine
ME590285
-
-
-
100.1131
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME590462
-
-
-
102.0567
Betaine aldehyde
Betaine aldehyde
ME590271
-
-
-
102.0919
Spermine
Spermine
ME590430
-
-
-
102.1177
Hexylamine
Hexylamine
ME590324
-
-
-
102.1294
Cadaverine
Cadaverine
ME590275
-
-
-
103.1246
N,N-Dimethylglycine
Dimethylglycine
ME590363
-
-
-
104.0717
GABA
gamma-Aminobutyric acid
ME590302
-
-
-
104.0718
2AB
2S-Aminobutyric acid
ME590471
-
-
-
104.0719
N-Methylalanine
N-Methylalanine
ME590384
-
-
-
104.0720
3-Aminoisobutyrate
3-Aminoisobutanoic acid
ME590481
-
-
-
104.0722
Choline
Choline
ME590280
-
-
-
104.1088
2,3-Diaminopropionate
2,3-Diaminopropionic acid
ME590468
-
-
-
105.0674
Ser
Serine
ME590425
-
-
-
106.0517
Diethanolamine
Diethanolamine
ME590295
-
-
-
106.0875
N-Methylaniline
N-Methylaniline
ME590385
-
-
-
108.0826
beta-Ala-Lys
-
ME590267
-
-
-
109.5810
Hypotaurine
Hypotaurine
ME590334
-
-
-
110.0285
2-Aminophenol
2-Aminophenol
ME590473
-
-
-
110.0624
Cytosine
Cytosine
ME590293
-
-
-
112.0515
Histamine
Histamine
ME590326
-
-
-
112.0883
Uracil
Uracil
ME590453
-
-
-
113.0376
Carnosine
Carnosine
ME590278
-
-
-
114.0623
Creatinine
Creatinine
ME590283
-
-
-
114.0677
Dihydrouracil
Dihydrouracil
ME590296
-
-
-
115.0502
beta-Cyanoalanine
Cyanoalanine
ME590268
-
-
-
115.0516
Muscimol
Muscimol
ME590362
-
-
-
115.0517
Pro
Proline
ME590406
-
-
-
116.0720
Guanidinoacetate
Guanidoacetic acid
ME590319
-
-
-
118.0628
Betaine
Betaine
ME590270
-
-
-
118.0876
Val
Valine
ME590457
-
-
-
118.0877
5-Aminovalerate
5-Aminopentanoic acid
ME590499
-
-
-
118.0883
Benzimidazole
1H-Benzimidazole
ME590265
-
-
-
119.0618
2,4-Diaminobutyrate
2,4-Diaminobutyric acid
ME590469
-
-
-
119.0825
Alpha-Methylserine
Alpha-Methylserine
ME590253
-
-
-
120.0670
4-Amino-3-hydroxybutyrate
-
ME590493
-
-
-
120.0676
Thr
Threonine
ME590437
-
-
-
120.0676
Homoserine
Homoserine
ME590331
-
-
-
120.0681
Purine
Purine
ME590410
-
-
-
121.0526
Anserine
Anserine
ME590256
-
-
-
121.0706
Homocarnosine
Homocarnosine
ME590328
-
-
-
121.0708
Benzamidine
Benzamidine
ME590264
-
-
-
121.0776
Cys
Cysteine
ME590286
-
-
-
122.0282
Benzamide
Benzamide
ME590263
-
-
-
122.0604
alpha-Methylbenzylamine
-
ME590252
-
-
-
122.0981
2,4-Dimethylaniline
2,4-Dimethylaniline
ME590470
-
-
-
122.0982
Phenethylamine
Phenylethylamine
ME590400
-
-
-
122.0982
Nicotinamide
Niacinamide
ME590382
-
-
-
123.0564
Isonicotinamide
-
ME590346
-
-
-
123.0565
Picolinamide
Picolinamide
ME590404
-
-
-
123.0565
N1-Acetylspermine
N1-Acetylspermine
ME590367
-
-
-
123.1227
3-Chloroalanine
-
ME590484
-
-
-
124.0177
Taurine
Taurine
ME590432
-
-
-
126.0233
5-Methylcytosine
5-Methylcytosine
ME590507
-
-
-
126.0664
1-Methylhistamine
1-Methylhistamine
ME590465
-
-
-
126.1041
Thymine
Thymine
ME590439
-
-
-
127.0417
Imidazole-4-acetate
Imidazoleacetic acid
ME590338
-
-
-
127.0516
Melamine
Melamine
ME590354
-
-
-
127.0745
5-Oxoproline
Pyroglutamic acid
ME590510
-
-
-
128.0360
1-Amino-1-cyclopentanecarboxylate
1-Azaniumylcyclopentane-1-carboxylate
ME590461
-
-
-
130.0873
Pipecolate
Pipecolic acid
ME590405
-
-
-
130.0876
Metformin
Metformin
ME590357
-
-
-
130.1107
Octylamine
Octylamine
ME590394
-
-
-
130.1610
N-Acetylputrescine
N-Acetylputrescine
ME590375
-
-
-
131.1197
Agmatine
Agmatine
ME590245
-
-
-
131.1307
Hydroxyproline
Hydroxyproline
ME590332
-
-
-
132.0665
5-Aminolevulinate
5-Amino-levulinic acid
ME590498
-
-
-
132.0673
Creatine
Creatine
ME590282
-
-
-
132.0788
6-Aminohexanoate
Aminocaproic acid
ME590511
-
-
-
132.1032
beta-Leucine
beta-Leucine
ME590272
-
-
-
132.1033
Ile
Isoleucine
ME590337
-
-
-
132.1035
Leu
Leucine
ME590349
-
-
-
132.1037
Bis(3-aminopropyl)amine
Norspermidine
ME590274
-
-
-
132.1514
Gly-Gly
Gly-Gly
ME590316
-
-
-
133.0614
Asn
Asparagine
ME590261
-
-
-
133.0623
Ornithine
Ornithine
ME590396
-
-
-
133.0987
Asp
Aspartic acid
ME590262
-
-
-
134.0470
2-Aminobenzimidazole
-
ME590472
-
-
-
134.0731
Homocysteine
Homocysteine
ME590329
-
-
-
136.0443
Adenine
Adenine
ME590242
-
-
-
136.0635
Hypoxanthine
Hypoxanthine
ME590335
-
-
-
137.0476
1-Methylnicotinamide
1-Methyl nicotinamide
ME590466
-
-
-
137.0726
Anthranilate
2-Aminobenzoic acid
ME590257
-
-
-
138.0567
Trigonelline
Trigonelline
ME590443
-
-
-
138.0568
p-Aminobenzoate
p-Aminobenzoic acid
ME590398
-
-
-
138.0571
Phenylethanolamine
2-Hydroxyphenethylamine
ME590401
-
-
-
138.0932
Tyramine
Tyramine
ME590452
-
-
-
138.0934
Urocanate
Urocanic acid
ME590456
-
-
-
139.0522
Ethanolamine phosphate
Phosphoethanolamine
ME590301
-
-
-
140.0127
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME590512
-
-
-
140.0350
Tropinone
Tropinone
ME590448
-
-
-
140.1081
Histidinol
L-Histidinol
ME590327
-
-
-
142.0990
Tropine
Pseudotropine
ME590447
-
-
-
142.1248
Ectoine
Ectoine
ME590299
-
-
-
143.0814
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME590496
-
-
-
144.0498
Proline betaine
Proline betaine
ME590407
-
-
-
144.1035
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME590364
-
-
-
144.1283
gamma-Guanidinobutyrate
4-Guanidinobutanoic acid
ME590306
-
-
-
146.0904
Acetylcholine
Acetylcholine
ME590241
-
-
-
146.1187
gamma-Butyrobetaine
3-Dehydroxycarnitine
ME590303
-
-
-
146.1195
Lysinamide
Lysinamide
ME590352
-
-
-
146.1271
Spermidine
Spermidine
ME590429
-
-
-
146.1666
Gln
Glutamine
ME590307
-
-
-
147.0788
5,6-Dimethylbenzimidazole
Dimethylbenzimidazole
ME590497
-
-
-
147.0933
Lys
Lysine
ME590351
-
-
-
147.1156
Trientine
Trientine
ME590442
-
-
-
147.1621
O-Acetylserine
O-Acetylserine
ME590392
-
-
-
148.0623
Glu
Glutamic acid
ME590308
-
-
-
148.0648
Nornicotine
Nornicotine
ME590390
-
-
-
149.1089
Met
Methionine
ME590356
-
-
-
150.0602
3-Methyladenine
3-Methyladenine
ME590489
-
-
-
150.0791
6-Methylaminopurine
6-Methyladenine
ME590513
-
-
-
150.0791
Guanine
Guanine
ME590321
-
-
-
152.0588
Amantadine
Loratadine
ME590254
-
-
-
152.1453
Xanthine
Xanthine
ME590458
-
-
-
153.0421
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME590485
-
-
-
154.0514
4-Aminosalicylate
Aminosalicylic acid
ME590494
-
-
-
154.0518
Dopamine
Dopamine
ME590298
-
-
-
154.0879
4-(beta-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME590492
-
-
-
154.0997
Pseudopelletierine
psi-Pelletierine
ME590408
-
-
-
154.1250
His
Histidine
ME590325
-
-
-
156.0788
beta-Imidazolelactate
Imidazolelactic acid
ME590269
-
-
-
157.0625
Ibotenate
-
ME590336
-
-
-
159.0421
Allantoin
Allantoin
ME590249
-
-
-
159.0606
Indole-3-acetaldehyde
Indoleacetaldehyde
ME590339
-
-
-
160.0618
Betonicine
Betonicine
ME590273
-
-
-
160.0975
N-Acetylvaline
N-Acetylvaline
ME590376
-
-
-
160.0989
Ala-Ala
Ala-Ala
ME590248
-
-
-
161.0939
Tryptamine
Tryptamine
ME590450
-
-
-
161.1096
N-Methylglutamate
N-Methyl-glutamic acid
ME590386
-
-
-
162.0759
alpha-Aminoadipate
Aminoadipic acid
ME590251
-
-
-
162.0779
Indole-3-ethanol
Tryptophanol
ME590342
-
-
-
162.0993
Carnitine
Carnitine
ME590277
-
-
-
162.1140
5-Hydroxylysine
5-Hydroxylysine
ME590502
-
-
-
163.1099
2-Deoxystreptamine
2-Deoxystreptamine
ME590477
-
-
-
163.1100
Nicotine
Nicotine
ME590383
-
-
-
163.1250
Pterin
Pterin
ME590409
-
-
-
164.0590
S-Methylmethionine
S-Methylmethionine
ME590428
-
-
-
164.0749
Methionine sulfoxide
Methionine sulfoxide
ME590358
-
-
-
166.0544
7-Methylguanine
7-Methylguanine
ME590516
-
-
-
166.0742
3-Methylguanine
3-Methylguanine
ME590490
-
-
-
166.0747
Phe
Phenylalanine
ME590399
-
-
-
166.0883
Taurocyamine
Taurocyamine
ME590433
-
-
-
168.0483
Pyridoxal
Pyridoxal
ME590414
-
-
-
168.0658
3-Methoxytyramine
3-Methoxytyramine
ME590488
-
-
-
168.1043
Synephrine
Synephrine
ME590431
-
-
-
168.1046
Pyridoxamine
Pyridoxamine
ME590415
-
-
-
169.0992
Noradrenaline
Xi-Norepinephrine
ME590389
-
-
-
170.0834
Pyridoxine
Pyridoxine
ME590417
-
-
-
170.0835
3-Methylhistidine
3-Methylhistidine
ME590491
-
-
-
170.0941
Indole-3-acetamide
1H-Indole-3-acetamide
ME590340
-
-
-
175.0888
N-Acetylornithine
N-Acetylornithine
ME590374
-
-
-
175.1099
N-gamma-Ethylglutamine
N(5)-Ethyl-glutamine
ME590381
-
-
-
175.1101
Arg
Arginine
ME590258
-
-
-
175.1215
Gramine
-
ME590318
-
-
-
175.1251
N-omega-Methyltryptamine
N-Methyltryptamine
ME590388
-
-
-
175.1251
Guanidinosuccinate
Guanidinosuccinic acid
ME590320
-
-
-
176.0680
Indole-3-acetate
Indoleacetic acid
ME590341
-
-
-
176.0709
2-Guanidinobenzimidazole
2-Guanidinobenzimidazole
ME590478
-
-
-
176.0954
Citrulline
Citrulline
ME590281
-
-
-
176.1055
Canavanine
Canavanine
ME590276
-
-
-
177.1007
Serotonin
Serotonin
ME590426
-
-
-
177.1043
Alliin
Alliin
ME590250
-
-
-
178.0549
Cys-Gly
Cys-Gly
ME590287
-
-
-
179.0505
Xanthopterin
Xanthopterin
ME590459
-
-
-
180.0538
Glucosamine
Glucosamine
ME590310
-
-
-
180.0883
Mannosamine
2-Amino-2-deoxy-D-mannose
ME590353
-
-
-
180.0892
n-Butyl a-Picolinate
-
ME590379
-
-
-
180.1041
Methionine sulfoximine
Methionine sulfoximine
ME590359
-
-
-
181.0662
Tyr
Tyrosine
ME590451
-
-
-
182.0836
Harman
Harman
ME590323
-
-
-
183.0943
Phosphorylcholine
Choline phosphate
ME590403
-
-
-
184.0759
Epinephrine
Epinephrine
ME590300
-
-
-
184.0988
N-alpha,N-alpha-Dimethylhistidine
N,N-Dimethylhistidine
ME590377
-
-
-
184.1105
N1-Acetylspermidine
N1-Acetylspermidine
ME590366
-
-
-
188.1780
N8-Acetylspermidine
N8-Acetylspermidine
ME590370
-
-
-
188.1781
N-epsilon-Acetyllysine
N6-Acetyllysine
ME590380
-
-
-
189.1252
Gly-Leu
Gly-Leu
ME590317
-
-
-
189.1276
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME590368
-
-
-
189.1609
Castanospermine
Castanospermine
ME590279
-
-
-
190.1072
5-Methoxytryptamine
5-Methoxytryptamine
ME590505
-
-
-
191.1203
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME590501
-
-
-
192.0684
SAH
S-Adenosylhomocysteine
ME590420
-
-
-
193.0707
Glucosaminate
Glucosaminic acid
ME590309
-
-
-
196.0841
DOPA
DOPA
ME590297
-
-
-
198.0776
N-Acetylhistidine
N-Acetylhistidine
ME590373
-
-
-
198.0895
SAM+
S-Adenosylmethionine
ME590421
-
-
-
200.0793
ADMA
Dimethylarginine
ME590244
-
-
-
203.1511
SDMA
Symmetric dimethylarginine
ME590423
-
-
-
203.1523
Arginine ethyl ester
Ethyl arginate
ME590259
-
-
-
203.1529
o-Acetylcarnitine
CAR 2:0
ME590391
-
-
-
204.1255
Trp
Tryptophan
ME590449
-
-
-
205.0998
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME590504
-
-
-
206.0853
Kynurenine
Kynurenine
ME590348
-
-
-
209.0943
Cysteine-glutathione disulphide
-
ME590290
-
-
-
214.0544
Desthiobiotin
Dethiobiotin
ME590294
-
-
-
215.1409
o-Succinylhomoserine
o-Succinylhomoserine
ME590397
-
-
-
220.0846
trans-Zeatin
trans-Zeatin
ME590440
-
-
-
220.1221
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME590503
-
-
-
221.0944
N-Acetylglucosylamine
N-Acetyl-beta-glucosaminylamine
ME590372
-
-
-
221.1141
N-Acetylglucosamine
N-Acetyl-D-glucosamine
ME590371
-
-
-
222.0997
Cystathionine
Cystathionine
ME590288
-
-
-
223.0781
3-Hydroxykynurenine
Hydroxykynurenine
ME590486
-
-
-
225.0897
2'-Deoxycytidine
Deoxycytidine
ME590474
-
-
-
228.1008
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME590365
-
-
-
230.1892
gamma-Glu-2AB
gamma-Glutamyl-2-aminobutanoate
ME590304
-
-
-
233.1165
Melatonin
Melatonin
ME590355
-
-
-
233.1310
Sepiapterin
Sepiapterin
ME590424
-
-
-
238.0961
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME590514
-
-
-
240.1121
Cystine
Cystine
ME590291
-
-
-
241.0334
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME590506
-
-
-
242.1161
Thymidine
Thymidine
ME590438
-
-
-
243.0994
Cytidine
Cytidine
ME590292
-
-
-
244.0965
Uridine
Uridine
ME590455
-
-
-
245.0857
Octopine
Octopine
ME590393
-
-
-
247.1430
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME590416
-
-
-
249.0648
gamma-Glu-cys
gamma-Glutamylcysteine
ME590305
-
-
-
251.0723
Muramate
Muramic acid
ME590361
-
-
-
252.1106
5'-Deoxyadenosine
5'-Deoxyadenosine
ME590500
-
-
-
252.1128
Purine riboside
Nebularine
ME590411
-
-
-
253.0960
2'-Deoxyinosine
Deoxyinosine
ME590476
-
-
-
253.0974
7,8-Dihydroneopterin
7,8-Dihydroneopterin
ME590515
-
-
-
256.1068
Glycerophosphorylcholine
sn-Glycero-3-phosphocholine
ME590315
-
-
-
258.1127
Thiamine
Thiamine
ME590435
-
-
-
265.1144
N6-Methyl-2'-deoxyadenosine
N6-Methyl-2'-deoxyadenosine
ME590369
-
-
-
266.1287
Adenosine
Adenosine
ME590243
-
-
-
268.1073
2'-Deoxyguanosine
Deoxyguanosine
ME590475
-
-
-
268.1074
Homocystine
Homocystine
ME590330
-
-
-
269.0664
Inosine
Inosine
ME590343
-
-
-
269.0911
Glu-Glu
Glu-Glu
ME590311
-
-
-
277.1059
Saccharopine
Saccharopine
ME590419
-
-
-
277.1433
1-Methyladenosine
1-Methyladenosine
ME590464
-
-
-
282.1227
Guanosine
Guanosine
ME590322
-
-
-
284.1019
Xanthosine
Xanthosine
ME590460
-
-
-
285.0859
Ophthalmate
Ophthalmic acid
ME590395
-
-
-
290.1379
Argininosuccinate
Argininosuccinic acid
ME590260
-
-
-
291.1327
5-Methylthioadenosine
5'-Methylthioadenosine
ME590509
-
-
-
298.1001
Glutathione(ox)
Oxidized glutathione
ME590312
-
-
-
307.0873
N-alpha-Benzenolarginine ethylester
Bz-Arg-OEt
ME590378
-
-
-
307.1800
3-Iodotyrosine
Iodotyrosine
ME590487
-
-
-
307.9801
Glutathione(red)
Glutathione
ME590313
-
-
-
308.0943
Phe-Phe
Phe-Phe
ME590402
-
-
-
313.1573
NMN
Nicotinamide ribotide
ME590387
-
-
-
335.0671
AICAR
AICAR
ME590246
-
-
-
339.0728
Thiamine monophosphate
Thiamine monophosphate
ME590436
-
-
-
345.0806
Tetrahydropalmatine
Tetrahydropalmatine
ME590434
-
-
-
356.1893
TRH
Thyrotropin releasing hormone
ME590441
-
-
-
363.1812
Riboflavin
Riboflavin
ME590418
-
-
-
377.1324
S-Lactoylglutathione
S-Lactoylglutathione
ME590427
-
-
-
380.1153
Leu-Leu-Tyr
Leu-Leu-Tyr
ME590350
-
-
-
408.2529
3,5-Diiodo-tyrosine
3,5-Diiodo-L-tyrosine
ME590480
-
-
-
433.8777
5-Methyltetrahydrofolate
5-Methyl-THF
ME590508
-
-
-
460.1977
Trimethylamine
Trimethylamine
ME590444
-
-
-
60.0828
Urea
Urea
ME590454
-
-
-
61.0418
3,3',5-Triiodothyronine
Liothyronine
ME590479
-
-
-
651.7991
Cyanocobalamin
Cyanocobalamin
ME590284
-
-
-
678.2963
Pyrazole
1H-pyrazole
ME590413
-
-
-
69.0460
3-Aminopropionitrile
-
ME590483
-
-
-
71.0622
Methylguanidine
Methylguanidine
ME590360
-
-
-
74.0733
Isobutylamine
-
ME590345
-
-
-
74.0984
1,3-Diaminopropane
1,3-Diaminopropane
ME590467
-
-
-
75.0934
Gly
Glycine
ME590314
-
-
-
76.0412
Trimethylamine N-oxide
Trimethylamine N-oxide
ME590445
-
-
-
76.0770
Isopropanolamine
Isopropanolamine
ME590347
-
-
-
76.0771
Hydroxyurea
Hydroxyurea
ME590333
-
-
-
77.0366
Trimethylsulfonium
Trimethyl sulfonium
ME590446
-
-
-
77.0440
Cysteamine
Cysteamine
ME590289
-
-
-
78.0389
Isoamylamine
3-Methyl-1-butylamine
ME590344
-
-
-
88.1134
Putrescine(1,4-Butanediamine)
Putrescine
ME590412
-
-
-
89.1090
beta-Ala
beta-Alanine
ME590266
-
-
-
90.0561
Sarcosine
Sarcosine
ME590422
-
-
-
90.0561
Ala
Alanine
ME590247
-
-
-
90.0566
3-Aminopropane-1,2-diol
(S)-3-Amino-1,2-propanediol
ME590482
-
-
-
92.0724
Aniline
Aniline
ME590255
-
-
-
94.0669
4-Hydroxymethylimidazole
Imidazole-4-methanol
ME590495
-
-
-
99.0572
Analysis: CE NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Oxobutyrate
3-Methyl pyruvic acid
ME590721
-
-
-
101.0249
3-Methylbutanoate
Isovaleric acid
ME590737
-
-
-
101.0613
Pentanoate
Valeric acid
ME590649
-
-
-
101.0613
Malonate
Malonic acid
ME590613
-
-
-
103.0044
2-Hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME590715
-
-
-
103.0407
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME590733
-
-
-
103.0407
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME590713
-
-
-
103.0409
(Methylthio)acetate
(Methylthio)acetic acid
ME590617
-
-
-
105.0028
Glycerate
Glyceric acid
ME590592
-
-
-
105.0204
Pyrrole-2-carboxylate
Pyrrole-2-carboxylic acid
ME590664
-
-
-
110.0255
Methyl sulfate
Methyl sulfate
ME590616
-
-
-
110.9770
2-Furoate
2-Furoic acid
ME590711
-
-
-
111.0094
Fumarate
Fumaric acid
ME590581
-
-
-
115.0047
4-Oxopentanoate
Levulinic acid
ME590748
-
-
-
115.0404
2-Oxoisopentanoate
Ketoisovaleric acid
ME590723
-
-
-
115.0407
Hexanoate
Caproic acid
ME590600
-
-
-
115.0771
Succinate
Succinic acid
ME590677
-
-
-
117.0202
2-Hydroxypentanoate
2-Hydroxyvaleric acid
ME590717
-
-
-
117.0560
Benzoate
Benzoic acid
ME590530
-
-
-
121.0304
Nicotinate
Nicotinic acid
ME590637
-
-
-
122.0263
2-Aminoethylphosphonate
Ciliatine
ME590708
-
-
-
124.0179
1-Aminoethylphosphonate
-
ME590701
-
-
-
124.0180
Isethionate
2-Hydroxyethanesulfonate
ME590606
-
-
-
124.9923
Barbiturate
Barbituric acid
ME590529
-
-
-
127.0155
Itaconate
Itaconic acid
ME590609
-
-
-
129.0204
Citraconate
Citraconic acid
ME590544
-
-
-
129.0207
4-Acetylbutyrate
5-Ketocaproic acid
ME590742
-
-
-
129.0564
4-Methyl-2-oxopentanoate
Ketoleucine
ME590745
-
-
-
129.0566
4-Oxohexanoate
-
ME590747
-
-
-
129.0567
Heptanoate
Heptylic acid
ME590599
-
-
-
129.0926
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME590621
-
-
-
130.0520
Glutarate
Glutaric acid
ME590591
-
-
-
131.0362
3-Ureidopropionate
Ureidopropionic acid
ME590741
-
-
-
131.0467
2-Hydroxy-4-methylpentanoate
D-Leucic acid
ME590712
-
-
-
131.0717
6-Hydroxyhexanoate
6-Hydroxycaproic acid
ME590750
-
-
-
131.0719
Malate
Malic acid
ME590612
-
-
-
133.0152
Threonate
Threonic acid
ME590684
-
-
-
135.0310
m-Hydroxybenzoate
3-Hydroxybenzoic acid
ME590618
-
-
-
137.0255
p-Hydroxybenzoate
4-Hydroxybenzoic acid
ME590656
-
-
-
137.0257
o-Hydroxybenzoate
Salicylic acid
ME590640
-
-
-
137.0258
Phosphonoacetate
Phosphonoacetate
ME590654
-
-
-
138.9810
Carbamoylphosphate
Carbamoylphosphate
ME590537
-
-
-
139.9762
2-Thiopheneacetate
2-Thienylacetic acid
ME590727
-
-
-
141.0024
Octanoate
Caprylic acid
ME590639
-
-
-
143.1087
2-Oxoglutarate
2-Oxoglutaric acid
ME590722
-
-
-
145.0155
Adipate
Adipic acid
ME590521
-
-
-
145.0521
4-Methylthio-2-oxobutyrate
2-Oxo-4-methylthiobutanoic acid
ME590746
-
-
-
147.0136
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME590714
-
-
-
147.0313
Citramalate
Citramalic acid
ME590545
-
-
-
147.0317
trans-Cinnamate
trans-Cinnamic acid
ME590688
-
-
-
147.0462
Tartrate
Tartaric acid
ME590680
-
-
-
149.0103
Benzoylformate
Phenylglyoxylic acid
ME590531
-
-
-
149.0258
3-Phenylpropionate
Hydrocinnamic acid
ME590740
-
-
-
149.0614
2-Hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME590718
-
-
-
151.0418
p-Hydroxyphenylacetate
4-Hydroxyphenylacetic acid
ME590657
-
-
-
151.0420
Cysteine sulfinate
3-Sulfino-alanine
ME590554
-
-
-
152.0041
2,5-Dihydroxybenzoate
Gentisic acid
ME590706
-
-
-
153.0207
2,4-Dihydroxypyrimidine-5-carboxylate
Uracil-5-carboxylic acid
ME590705
-
-
-
155.0112
Orotate
Orotic acid
ME590643
-
-
-
155.0115
Dihydroorotate
4,5-Dihydroorotic acid
ME590567
-
-
-
157.0264
2-Oxooctanoate
-
ME590724
-
-
-
157.0882
Pelargonate
Pelargonic acid
ME590648
-
-
-
157.1235
2-Oxoadipate
Oxoadipic acid
ME590720
-
-
-
159.0306
Pimelate
Pimelic acid
ME590658
-
-
-
159.0678
2-Hydroxyoctanoate
2-Hydroxyoctanoic acid
ME590716
-
-
-
159.1036
N-Formylaspartate
N-Formyl-aspartic acid
ME590635
-
-
-
160.0263
3-Hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME590732
-
-
-
161.0473
p-Coumarate
cis-p-Coumaric acid
ME590647
-
-
-
163.0413
o-Coumarate
trans-o-Coumaric acid
ME590638
-
-
-
163.0414
Phenylpyruvate
Phenylpyruvic acid
ME590653
-
-
-
163.0421
Phthalate
Phthalic acid
ME590655
-
-
-
165.0216
Terephthalate
Terephthalic acid
ME590683
-
-
-
165.0216
3-Phenyllactate
Phenyllactic acid
ME590739
-
-
-
165.0561
3-(2-Hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME590728
-
-
-
165.0573
3-(4-Hydroxyphenyl)propionate
Desaminotyrosine
ME590729
-
-
-
165.0573
2,3-Pyridinedicarboxylate
Quinolinic acid
ME590704
-
-
-
166.0171
PEP
Phosphoenolpyruvic acid
ME590650
-
-
-
166.9764
Urate
Uric acid
ME590696
-
-
-
167.0225
4-Hydroxymandelate
4-Hydroxymandelic acid
ME590744
-
-
-
167.0366
Cysteate
Cysteic acid
ME590552
-
-
-
167.9989
2-Amino-3-phosphonopropionate
-
ME590707
-
-
-
168.0082
G3P
Glyceraldehyde 3-phosphate
ME590583
-
-
-
168.9919
DHAP
Dihydroxyacetone phosphate
ME590565
-
-
-
168.9932
Glycerophosphate
sn-Glycero-3-phosphate
ME590593
-
-
-
171.0081
Decanoate
Capric acid
ME590563
-
-
-
171.1398
2-Quinolinecarboxylate
Quinaldic acid
ME590726
-
-
-
172.0416
N-Acetylleucine
N-Acetylleucine
ME590625
-
-
-
172.0989
Phenyl phosphate
Phenyl phosphate
ME590652
-
-
-
173.0025
trans-Aconitate
trans-Aconitic acid
ME590687
-
-
-
173.0106
cis-Aconitate
cis-Aconitic acid
ME590543
-
-
-
173.0107
Shikimate
Shikimic acid
ME590674
-
-
-
173.0474
N-Acetylaspartate
N-Acetylaspartic acid
ME590620
-
-
-
174.0426
Carbamoylaspartate
Carbamoylaspartate
ME590536
-
-
-
175.0372
Allantoate
Allantoic acid
ME590525
-
-
-
175.0485
2-Isopropylmalate
2-Isopropylmalic acid
ME590719
-
-
-
175.0626
N-Formylmethionine
N-Formylmethionine
ME590636
-
-
-
176.0389
Hippurate
Hippuric acid
ME590601
-
-
-
178.0534
Homovanillate
Homovanillic acid
ME590602
-
-
-
181.0521
4-Pyridoxate
4-Pyridoxic acid
ME590749
-
-
-
182.0485
Serine O-sulfate
Serine-O-sulfate
ME590673
-
-
-
183.9937
O-Phosphoserine
DL-O-Phosphoserine
ME590642
-
-
-
184.0038
3PG
3-Phosphoglyceric acid
ME590738
-
-
-
184.9874
2PG
2-Phosphoglyceric acid
ME590725
-
-
-
184.9877
Undecanoate
Undecylic acid
ME590695
-
-
-
185.1558
Azelate
Azelaic acid
ME590528
-
-
-
187.0992
10-Hydroxydecanoate
10-Hydroxydecanoic acid
ME590752
-
-
-
187.1355
N-Acetylglutamate
N-Acetylglutamic acid
ME590624
-
-
-
188.0582
N-Carbamylglutamate
Carglumic acid
ME590634
-
-
-
189.0537
N-Acetylmethionine
N-Acetylmethionine
ME590626
-
-
-
190.0559
Isocitrate
Isocitric acid
ME590608
-
-
-
191.0213
Citrate
Citric acid
ME590546
-
-
-
191.0214
Quinate
Quinic acid
ME590666
-
-
-
191.0573
Phenaceturate
Phenylacetylglycine
ME590651
-
-
-
192.0676
Glucuronate
Glucuronic acid
ME590590
-
-
-
193.0377
trans-4-Hydroxy-3-methoxycinnamate
trans-Ferulic acid
ME590686
-
-
-
193.0515
o-Hydroxyhippurate
Salicyluric acid
ME590641
-
-
-
194.0476
Gluconate
Gluconic acid
ME590588
-
-
-
195.0529
4-Hydroxy-3-methoxymandelate
Vanillylmandelic acid
ME590743
-
-
-
197.0474
Syringate
Syringic acid
ME590679
-
-
-
197.0474
Dodecanoate
Lauric acid
ME590570
-
-
-
199.1721
Cysteine S-sulfate
Cysteine-S-sulfate
ME590553
-
-
-
199.9712
Sebacate
Sebacic acid
ME590672
-
-
-
201.1153
3-Indolebutyrate
3-Indolebutyric acid
ME590735
-
-
-
202.0889
Xanthurenate
Xanthurenic acid
ME590698
-
-
-
204.0322
Indolelactate
Indolelactic acid
ME590605
-
-
-
204.0686
N-Acetylphenylalanine
N-Acetylphenylalanine
ME590629
-
-
-
206.0835
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME590532
-
-
-
207.0680
Mucate
Galactaric acid
ME590619
-
-
-
209.0321
Saccharate
Glucaric acid
ME590671
-
-
-
209.0326
3-Indoxyl sulfate
Indoxyl sulfate
ME590736
-
-
-
212.0041
2-Deoxyribose 1-phosphate
Deoxyribose 1-phosphate
ME590710
-
-
-
213.0198
Pantothenate
Pantothenic acid
ME590646
-
-
-
218.1053
Sinapate
Sinapic acid
ME590675
-
-
-
223.0633
Porphobilinogen
Porphobilinogen
ME590659
-
-
-
225.0901
R5P
Ribose 5-phosphate
ME590667
-
-
-
229.0138
Ru5P
Ribulose 5-phosphate
ME590669
-
-
-
229.0138
Dodecanedioate
Dodecanedioic acid
ME590569
-
-
-
229.1464
2-Deoxyglucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME590709
-
-
-
243.0294
Biotin
Biotin
ME590533
-
-
-
243.0831
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME590589
-
-
-
258.0410
F6P
Fructose 6-phosphate
ME590578
-
-
-
259.0250
G6P
Glucose 6-phosphate
ME590584
-
-
-
259.0250
G1P
Glucose 1-phosphate
ME590582
-
-
-
259.0257
Sorbitol 6-phosphate
Pseudouridine
ME590676
-
-
-
261.0362
2,3-DPG
2,3-Diphosphoglyceric acid
ME590703
-
-
-
264.9544
Galacturonate 1-phosphate
-
ME590585
-
-
-
273.0043
6-Phosphogluconate
6-Phosphogluconic acid
ME590751
-
-
-
275.0200
S7P
Sedoheptulose 7-phosphate
ME590670
-
-
-
289.0351
N-Acetylmuramate
N-Acetylmuramic acid
ME590627
-
-
-
292.1061
N-Acetylglucosamine 1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME590622
-
-
-
300.0519
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME590623
-
-
-
300.0519
2',3'-cCMP
2',3' cyclic CMP
ME590702
-
-
-
304.0367
dCMP
dCMP
ME590560
-
-
-
306.0530
dUMP
dUMP
ME590575
-
-
-
307.0361
N-Acetylneuraminate
N-Acetylneuraminic acid
ME590628
-
-
-
308.1017
Ribulose 1,5-diphosphate
Ribulose 1,5-bisphosphate
ME590668
-
-
-
308.9809
3',5'-Cyclic dAMP
-
ME590730
-
-
-
312.0532
dTMP
dTMP
ME590572
-
-
-
321.0516
CMP
CMP
ME590547
-
-
-
322.0473
UMP
UMP
ME590694
-
-
-
323.0308
cAMP
3',5' cyclic AMP
ME590535
-
-
-
328.0480
cIMP
-
ME590542
-
-
-
329.0318
dAMP
dAMP
ME590556
-
-
-
330.0633
F1,6P
Fructose 1,6-bisphosphate
ME590577
-
-
-
338.9916
cGMP
3',5' cyclic GMP
ME590540
-
-
-
344.0432
3'-AMP
3'-AMP
ME590731
-
-
-
346.0587
AMP
AMP
ME590526
-
-
-
346.0587
IMP
IMP
ME590604
-
-
-
347.0419
Prostaglandin E2
PGE2
ME590661
-
-
-
351.2205
Prostaglandin F2alpha
PGF2alpha
ME590662
-
-
-
353.2361
GMP
GMP
ME590597
-
-
-
362.0532
XMP
XMP
ME590699
-
-
-
363.0371
Orotidine 5'-monophosphate
Orotidylic acid
ME590644
-
-
-
367.0214
Digalacturonate
Digalacturonic acid
ME590566
-
-
-
369.0701
NADPH
NADPH
ME590633
-
-
-
371.5417
CoA
Coenzyme A
ME590549
-
-
-
382.5537
dCDP
dCDP
ME590559
-
-
-
386.0190
dUDP
dUDP
ME590574
-
-
-
387.0030
PRPP
Phosphoribosyl pyrophosphate
ME590663
-
-
-
388.9474
DCA
Deoxycholic acid
ME590558
-
-
-
391.2881
dTDP
dTDP
ME590571
-
-
-
401.0172
CDP
CDP
ME590538
-
-
-
402.0136
UDP
UDP
ME590690
-
-
-
402.9977
Acetyl CoA
Acetyl-CoA
ME590517
-
-
-
403.5591
Cholate
Cholic acid
ME590541
-
-
-
407.2835
dADP
dADP
ME590555
-
-
-
410.0301
P1, P4-Di(adenosine-5') tetraphosphate
-
ME590645
-
-
-
417.0204
Isobutyryl CoA
Isobutyryl-CoA
ME590607
-
-
-
417.5747
Trehalose 6-phosphate
Trehalose 6-phosphate
ME590689
-
-
-
421.0827
Malonyl CoA
Malonyl-CoA
ME590614
-
-
-
425.5540
Adenosine 5'-phosphosulfate
Adenosine phosphosulfate
ME590519
-
-
-
426.0155
Adenosine 3',5'-diphosphate
Adenosine 3',5'-diphosphate
ME590518
-
-
-
426.0243
ADP
ADP
ME590522
-
-
-
426.0250
IDP
IDP
ME590603
-
-
-
427.0091
Succinyl CoA
Succinyl-CoA
ME590678
-
-
-
432.5615
Folate
Folic acid
ME590580
-
-
-
440.1349
GDP
GDP
ME590586
-
-
-
442.0201
Adenylosuccinate
Adenylsuccinic acid
ME590520
-
-
-
462.0698
Glycocholate
Glycocholic acid
ME590594
-
-
-
464.3038
dCTP
dCTP
ME590561
-
-
-
465.9853
dUTP
dUTP
ME590576
-
-
-
466.9693
dTTP
dTTP
ME590573
-
-
-
480.9850
CTP
CTP
ME590551
-
-
-
481.9802
UTP
UTP
ME590697
-
-
-
482.9641
dATP
dATP
ME590557
-
-
-
489.9962
dITP
dITP
ME590568
-
-
-
490.9803
dGTP
dGTP
ME590564
-
-
-
505.9912
ATP
ATP
ME590527
-
-
-
505.9918
ITP
ITP
ME590610
-
-
-
506.9752
Taurocholate
Taurocholic acid
ME590681
-
-
-
514.2869
GTP
GTP
ME590598
-
-
-
521.9863
XTP
Xanthosine 5-triphosphate
ME590700
-
-
-
522.9700
CDP-choline
CDP-choline
ME590539
-
-
-
547.1242
ADP-ribose
ADP-ribose
ME590524
-
-
-
558.0657
TDP-glucose
dTDP-glucose
ME590682
-
-
-
563.0712
UDP-glucose
UDP-glucose
ME590691
-
-
-
565.0504
UDP-glucuronate
UDP-glucuronic acid
ME590692
-
-
-
579.0289
ADP-glucose
ADP-glucose
ME590523
-
-
-
588.0821
GDP-mannose
GDP-mannose
ME590587
-
-
-
604.0718
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME590693
-
-
-
606.0763
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME590548
-
-
-
613.1423
NAD+
NAD+
ME590630
-
-
-
662.1037
Deamido-NAD+
Nicotinic acid adenine dinucleotide
ME590562
-
-
-
663.0865
NADH
NADH
ME590631
-
-
-
664.1185
Glyoxylate
Glyoxylic acid
ME590596
-
-
-
72.9940
Propionate
Propionic acid
ME590660
-
-
-
73.0304
NADP+
NADP+
ME590632
-
-
-
742.0693
Glycolate
Glycolic acid
ME590595
-
-
-
75.0096
FAD
FAD
ME590579
-
-
-
784.1499
Crotonate
Crotonic acid
ME590550
-
-
-
85.0301
Pyruvate
Pyruvic acid
ME590665
-
-
-
87.0095
Butyrate
Butyric acid
ME590534
-
-
-
87.0453
3-Hydroxypropionate
Hydroxypropionic acid
ME590734
-
-
-
89.0251
Lactate
Lactic acid
ME590611
-
-
-
89.0252
Methanesulfonate
Methanesulfonic acid
ME590615
-
-
-
94.9823
Tiglate
Tiglic acid
ME590685
-
-
-
99.0459
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