Log in
/
Register
Home
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Data Repository
Overview
Upload / Manage Studies
Browse / Search Studies
Analyze Studies
Data Sharing Policy
Tutorials
FAQ
Databases
Overview
Metabolite Database
Human Metabolome Gene/Protein Database (MGP)
RefMet: Reference List of Metabolite Names
External Metabolomics Databases (Links)
Protocols
Overview
General Protocols
Study-specific Protocols
Tools
Overview
Load and analyze your own dataset
Analyze Studies
MS Searches
REST Service
External Tools (Links)
About
Overview
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST002323 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
1,3-Diaminopropane
1,3-Diaminopropane
ME554005
-
-
-
75.0926
1-Amino-1-cyclopentanecarboxylate
1-Azaniumylcyclopentane-1-carboxylate
ME554079
-
-
-
130.0869
1-Aminocyclopropane-1-carboxylate
1-Aminocyclopropanecarboxylic acid
ME554022
-
-
-
102.0554
1-Methyl-2-pyrrolidinone
N-Methylpyrrolidin-2-one
ME554020
-
-
-
100.0762
1-Methyladenosine
1-Methyladenosine
ME554250
-
-
-
282.1211
1-Methylhistamine
1-Methylhistamine
ME554075
-
-
-
126.1033
1-Methylnicotinamide
1-Methyl nicotinamide
ME554101
-
-
-
137.0717
2,3-Diaminopropionate
2,3-Diaminopropionic acid
ME554033
-
-
-
105.0661
2,4-Diaminobutyrate
2,4-Diaminobutyric acid
ME554054
-
-
-
119.0818
2,4-Dimethylaniline
2,4-Dimethylaniline
ME554067
-
-
-
122.0970
2AB
2S-Aminobutyric acid
ME554029
-
-
-
104.0708
2-Aminobenzimidazole
-
ME554097
-
-
-
134.0719
2-Aminophenol
2-Aminophenol
ME554039
-
-
-
110.0605
2'-Deoxycytidine
Deoxycytidine
ME554222
-
-
-
228.0984
2'-Deoxyguanosine
Deoxyguanosine
ME554245
-
-
-
268.1046
2'-Deoxyinosine
Deoxyinosine
ME554239
-
-
-
253.0928
2-Deoxystreptamine
2-Deoxystreptamine
ME554152
-
-
-
163.1082
2-Guanidinobenzimidazole
2-Guanidinobenzimidazole
ME554177
-
-
-
176.0937
3,3',5-Triiodothyronine
Liothyronine
ME554270
-
-
-
651.7976
3,5-Diiodo-tyrosine
3,5-Diiodo-L-tyrosine
ME554268
-
-
-
433.8760
3-Aminoisobutyrate
3-Aminoisobutanoic acid
ME554028
-
-
-
104.0711
3-Aminopropane-1,2-diol
(S)-3-Amino-1,2-propanediol
ME554017
-
-
-
92.0710
3-Aminopropionitrile
-
ME554002
-
-
-
71.0612
3-Chloroalanine
-
ME554072
-
-
-
124.0161
3-Hydroxyanthranilate
3-Hydroxyanthranilic acid
ME554135
-
-
-
154.0502
3-Hydroxykynurenine
Hydroxykynurenine
ME554221
-
-
-
225.0879
3-Iodotyrosine
Iodotyrosine
ME554258
-
-
-
307.9787
3-Methoxytyramine
3-Methoxytyramine
ME554163
-
-
-
168.1024
3-Methyladenine
3-Methyladenine
ME554129
-
-
-
150.0778
3-Methylguanine
3-Methylguanine
ME554159
-
-
-
166.0726
3-Methylhistidine
3-Methylhistidine
ME554168
-
-
-
170.0925
4-Amino-3-hydroxybutyrate
-
ME554055
-
-
-
120.0656
4-Aminosalicylate
Aminosalicylic acid
ME554134
-
-
-
154.0501
4-(beta-Acetylaminoethyl)imidazole
N-Acetylhistamine
ME554137
-
-
-
154.0979
4-Hydroxymethylimidazole
Imidazole-4-methanol
ME554019
-
-
-
99.0556
4-Methyl-5-thiazoleethanol
5-(2-Hydroxyethyl)-4-methylthiazole
ME554113
-
-
-
144.0484
5,6-Dimethylbenzimidazole
Dimethylbenzimidazole
ME554122
-
-
-
147.0925
5-Aminolevulinate
5-Amino-levulinic acid
ME554086
-
-
-
132.0661
5-Aminovalerate
5-Aminopentanoic acid
ME554050
-
-
-
118.0866
5'-Deoxyadenosine
5'-Deoxyadenosine
ME554237
-
-
-
252.1100
5-Hydroxyindoleacetate
5-Hydroxyindoleacetic acid
ME554200
-
-
-
192.0622
5-Hydroxylysine
5-Hydroxylysine
ME554153
-
-
-
163.1081
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME554217
-
-
-
221.0926
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME554211
-
-
-
206.0814
5-Methoxytryptamine
5-Methoxytryptamine
ME554199
-
-
-
191.1187
5-Methyl-2'-deoxycytidine
5-Methyl-2'-deoxycytidine
ME554229
-
-
-
242.1146
5-Methylcytosine
5-Methylcytosine
ME554074
-
-
-
126.0666
5-Methyltetrahydrofolate
5-Methyl-THF
ME554269
-
-
-
460.1955
5-Methylthioadenosine
5'-Methylthioadenosine
ME554255
-
-
-
298.0973
6-Aminohexanoate
Aminocaproic acid
ME554088
-
-
-
132.1025
6-Hydroxynicotinate
6-Hydroxynicotinic acid
ME554108
-
-
-
140.0345
6-Methylaminopurine
6-Methyladenine
ME554130
-
-
-
150.0776
7,8-Dihydrobiopterin
7,8-Dihydrobiopterin
ME554227
-
-
-
240.1095
7,8-Dihydroneopterin
7,8-Dihydroneopterin
ME554240
-
-
-
256.1027
7-Methylguanine
7-Methylguanine
ME554158
-
-
-
166.0726
Acetylcholine
Acetylcholine
ME554117
-
-
-
146.1209
Adenine
Adenine
ME554099
-
-
-
136.0625
Adenosine
Adenosine
ME554244
-
-
-
268.1051
ADMA
Dimethylarginine
ME554207
-
-
-
203.1514
Agmatine
Agmatine
ME554084
-
-
-
131.1297
AICAR
AICAR
ME554261
-
-
-
339.0717
Ala
Alanine
ME554015
-
-
-
90.0559
Ala-Ala
Ala-Ala
ME554146
-
-
-
161.0926
Allantoin
Allantoin
ME554142
-
-
-
159.0507
Alliin
Alliin
ME554181
-
-
-
178.0532
alpha-Aminoadipate
Aminoadipic acid
ME554148
-
-
-
162.0755
alpha-Methylbenzylamine
-
ME554066
-
-
-
122.0970
Alpha-Methylserine
Alpha-Methylserine
ME554057
-
-
-
120.0657
Amantadine
Loratadine
ME554132
-
-
-
152.1444
Aniline
Aniline
ME554018
-
-
-
94.0656
Anserine
Anserine
ME554060
-
-
-
121.0698
Anthranilate
2-Aminobenzoic acid
ME554104
-
-
-
138.0552
Arg
Arginine
ME554172
-
-
-
175.1198
Arginine ethyl ester
Ethyl arginate
ME554206
-
-
-
203.1519
Argininosuccinate
Argininosuccinic acid
ME554254
-
-
-
291.1310
Asn
Asparagine
ME554094
-
-
-
133.0610
Asp
Aspartic acid
ME554096
-
-
-
134.0450
Benzamide
Benzamide
ME554064
-
-
-
122.0584
Benzamidine
Benzamidine
ME554062
-
-
-
121.0766
Benzimidazole
1H-Benzimidazole
ME554053
-
-
-
119.0612
beta-Ala
beta-Alanine
ME554014
-
-
-
90.0553
beta-Ala-Lys
-
ME554037
-
-
-
109.5799
beta-Cyanoalanine
Cyanoalanine
ME554046
-
-
-
115.0501
beta-Imidazolelactate
Imidazolelactic acid
ME554140
-
-
-
157.0625
Betaine
Betaine
ME554052
-
-
-
118.0864
Betaine aldehyde
Betaine aldehyde
ME554023
-
-
-
102.0905
beta-Leucine
beta-Leucine
ME554089
-
-
-
132.1026
Betonicine
Betonicine
ME554144
-
-
-
160.0972
Bis(3-aminopropyl)amine
Norspermidine
ME554092
-
-
-
132.1503
Cadaverine
Cadaverine
ME554026
-
-
-
103.1236
Canavanine
Canavanine
ME554179
-
-
-
177.0988
Carnitine
Carnitine
ME554151
-
-
-
162.1127
Carnosine
Carnosine
ME554043
-
-
-
114.0611
Castanospermine
Castanospermine
ME554198
-
-
-
190.1080
Choline
Choline
ME554032
-
-
-
104.1072
Citrulline
Citrulline
ME554178
-
-
-
176.1026
Creatine
Creatine
ME554087
-
-
-
132.0773
Creatinine
Creatinine
ME554044
-
-
-
114.0664
Cyclohexylamine
Cyclohexylamine
ME554021
-
-
-
100.1127
Cys
Cysteine
ME554063
-
-
-
122.0277
Cys-Gly
Cys-Gly
ME554182
-
-
-
179.0488
Cystathionine
Cystathionine
ME554220
-
-
-
223.0754
Cysteamine
Cysteamine
ME554011
-
-
-
78.0375
Cysteine-glutathione disulphide
-
ME554213
-
-
-
214.0532
Cystine
Cystine
ME554228
-
-
-
241.0314
Cytidine
Cytidine
ME554231
-
-
-
244.0937
Cytosine
Cytosine
ME554040
-
-
-
112.0509
Desthiobiotin
Dethiobiotin
ME554214
-
-
-
215.1386
Diethanolamine
Diethanolamine
ME554035
-
-
-
106.0867
Dihydrouracil
Dihydrouracil
ME554047
-
-
-
115.0385
DOPA
DOPA
ME554203
-
-
-
198.0763
Dopamine
Dopamine
ME554136
-
-
-
154.0868
Ectoine
Ectoine
ME554112
-
-
-
143.0818
Epinephrine
Epinephrine
ME554191
-
-
-
184.0972
GABA
gamma-Aminobutyric acid
ME554027
-
-
-
104.0708
gamma-Butyrobetaine
3-Dehydroxycarnitine
ME554118
-
-
-
146.1183
gamma-Glu-2AB
gamma-Glutamyl-2-aminobutanoate
ME554224
-
-
-
233.1138
gamma-Glu-cys
gamma-Glutamylcysteine
ME554235
-
-
-
251.0701
gamma-Guanidinobutyrate
4-Guanidinobutanoic acid
ME554116
-
-
-
146.0930
Gln
Glutamine
ME554121
-
-
-
147.0764
Glu
Glutamic acid
ME554125
-
-
-
148.0617
Glucosaminate
Glucosaminic acid
ME554202
-
-
-
196.0816
Glucosamine
Glucosamine
ME554185
-
-
-
180.0866
Glu-Glu
Glu-Glu
ME554248
-
-
-
277.1040
Glutathione(ox)
Oxidized glutathione
ME554256
-
-
-
307.0861
Glutathione(red)
Glutathione
ME554259
-
-
-
308.1027
Gly
Glycine
ME554006
-
-
-
76.0403
Glycerophosphorylcholine
sn-Glycero-3-phosphocholine
ME554241
-
-
-
258.1105
Gly-Gly
Gly-Gly
ME554093
-
-
-
133.0632
Gly-Leu
Gly-Leu
ME554195
-
-
-
189.1244
Gramine
-
ME554173
-
-
-
175.1238
Guanidinoacetate
Guanidoacetic acid
ME554049
-
-
-
118.0611
Guanidinosuccinate
Guanidinosuccinic acid
ME554175
-
-
-
176.0667
Guanine
Guanine
ME554131
-
-
-
152.0567
Guanosine
Guanosine
ME554251
-
-
-
284.0999
Harman
Harman
ME554189
-
-
-
183.0929
Hexylamine
Hexylamine
ME554025
-
-
-
102.1284
His
Histidine
ME554139
-
-
-
156.0768
Histamine
Histamine
ME554041
-
-
-
112.0872
Histidinol
L-Histidinol
ME554110
-
-
-
142.0979
Homocarnosine
Homocarnosine
ME554061
-
-
-
121.0697
Homocysteine
Homocysteine
ME554098
-
-
-
136.0431
Homocystine
DL-Homocystine
ME554246
-
-
-
269.0628
Homoserine
Homoserine
ME554056
-
-
-
120.0657
Hydroxyproline
Hydroxyproline
ME554085
-
-
-
132.0660
Hydroxyurea
Hydroxyurea
ME554009
-
-
-
77.0347
Hypotaurine
Hypotaurine
ME554038
-
-
-
110.0272
Hypoxanthine
Hypoxanthine
ME554100
-
-
-
137.0460
Ibotenate
-
ME554141
-
-
-
159.0403
Ile
Isoleucine
ME554090
-
-
-
132.1024
Imidazole-4-acetate
Imidazoleacetic acid
ME554076
-
-
-
127.0505
Indole-3-acetaldehyde
Indoleacetaldehyde
ME554143
-
-
-
160.0727
Indole-3-acetamide
1H-Indole-3-acetamide
ME554169
-
-
-
175.0854
Indole-3-acetate
Indoleacetic acid
ME554176
-
-
-
176.0729
Indole-3-ethanol
Tryptophanol
ME554150
-
-
-
162.0913
Inosine
Inosine
ME554247
-
-
-
269.0885
Isoamylamine
3-Methyl-1-butylamine
ME554012
-
-
-
88.1128
Isobutylamine
-
ME554004
-
-
-
74.0970
Isonicotinamide
-
ME554068
-
-
-
123.0556
Isopropanolamine
Isopropanolamine
ME554008
-
-
-
76.0765
Kynurenine
Kynurenine
ME554212
-
-
-
209.0931
Leu
Leucine
ME554091
-
-
-
132.1024
Leu-Leu-Tyr
Leu-Leu-Tyr
ME554267
-
-
-
408.2519
Lys
Lysine
ME554123
-
-
-
147.1129
Lysinamide
Lysinamide
ME554119
-
-
-
146.1293
Mannosamine
2-Amino-2-deoxy-D-mannose
ME554184
-
-
-
180.0869
Melamine
Melamine
ME554078
-
-
-
127.0730
Melatonin
Melatonin
ME554225
-
-
-
233.1286
Met
Methionine
ME554128
-
-
-
150.0585
Metformin
Metformin
ME554081
-
-
-
130.1089
Methionine sulfoxide
Methionine sulfoxide
ME554157
-
-
-
166.0538
Methionine sulfoximine
Methionine sulfoximine
ME554187
-
-
-
181.0649
Methylguanidine
Methylguanidine
ME554003
-
-
-
74.0718
Muramate
Muramic acid
ME554236
-
-
-
252.1084
Muscimol
Muscimol
ME554045
-
-
-
115.0503
N1-Acetylspermidine
N1-Acetylspermidine
ME554194
-
-
-
188.1770
N1-Acetylspermine
N1-Acetylspermine
ME554071
-
-
-
123.1218
N1,N12-Diacetylspermine
N1,N12-Diacetylspermine
ME554115
-
-
-
144.1274
N1,N8-Diacetylspermidine
N1,N8-Diacetylspermidine
ME554223
-
-
-
230.1878
N6-Methyl-2'-deoxyadenosine
N6-Methyl-2'-deoxyadenosine
ME554243
-
-
-
266.1262
N6,N6,N6-Trimethyllysine
N-6-Trimethyllysine
ME554197
-
-
-
189.1608
N8-Acetylspermidine
N8-Acetylspermidine
ME554193
-
-
-
188.1768
N-Acetylglucosamine
N-Acetyl-D-glucosamine
ME554219
-
-
-
222.0888
N-Acetylglucosylamine
N-Acetyl-beta-glucosaminylamine
ME554218
-
-
-
221.1136
N-Acetylhistidine
N-Acetylhistidine
ME554204
-
-
-
198.0880
N-Acetylornithine
N-Acetylornithine
ME554170
-
-
-
175.1083
N-Acetylputrescine
N-Acetylputrescine
ME554083
-
-
-
131.1183
N-Acetylvaline
N-Acetylvaline
ME554145
-
-
-
160.0973
N-alpha-Benzenolarginine ethylester
Bz-Arg-OEt
ME554257
-
-
-
307.1784
N-alpha,N-alpha-Dimethylhistidine
N,N-Dimethylhistidine
ME554192
-
-
-
184.1088
n-Butyl a-Picolinate
-
ME554186
-
-
-
180.1028
N-epsilon-Acetyllysine
N6-Acetyllysine
ME554196
-
-
-
189.1241
N-gamma-Ethylglutamine
N(5)-Ethyl-glutamine
ME554171
-
-
-
175.1082
Nicotinamide
Niacinamide
ME554069
-
-
-
123.0559
Nicotine
Nicotine
ME554154
-
-
-
163.1240
N-Methylalanine
N-Methylalanine
ME554030
-
-
-
104.0710
N-Methylaniline
N-Methylaniline
ME554036
-
-
-
108.0814
N-Methylglutamate
N-Methyl-glutamic acid
ME554149
-
-
-
162.0763
NMN
Nicotinamide ribotide
ME554271
-
-
-
335.0647
N,N-Dimethylglycine
Dimethylglycine
ME554031
-
-
-
104.0708
N-omega-Methyltryptamine
N-Methyltryptamine
ME554174
-
-
-
175.1238
Noradrenaline
Xi-Norepinephrine
ME554167
-
-
-
170.0817
Nornicotine
Nornicotine
ME554127
-
-
-
149.1077
o-Acetylcarnitine
CAR 2:0
ME554209
-
-
-
204.1227
O-Acetylserine
O-Acetylserine
ME554126
-
-
-
148.0609
Octopine
Octopine
ME554233
-
-
-
247.1407
Octylamine
Octylamine
ME554082
-
-
-
130.1598
Ophthalmate
Ophthalmic acid
ME554253
-
-
-
290.1358
Ornithine
Ornithine
ME554095
-
-
-
133.0972
o-Succinylhomoserine
o-Succinylhomoserine
ME554215
-
-
-
220.0816
p-Aminobenzoate
p-Aminobenzoic acid
ME554102
-
-
-
138.0550
Phe
Phenylalanine
ME554160
-
-
-
166.0867
Phenethylamine
Phenylethylamine
ME554065
-
-
-
122.0969
Phenylethanolamine
2-Hydroxyphenethylamine
ME554105
-
-
-
138.0913
Phe-Phe
Phe-Phe
ME554260
-
-
-
313.1565
Phosphorylcholine
Choline phosphate
ME554190
-
-
-
184.0735
Picolinamide
Picolinamide
ME554070
-
-
-
123.0556
Pipecolate
Pipecolic acid
ME554080
-
-
-
130.0868
Pro
Proline
ME554048
-
-
-
116.0712
Proline betaine
Proline betaine
ME554114
-
-
-
144.1022
Pseudopelletierine
psi-Pelletierine
ME554138
-
-
-
154.1232
Pterin
Pterin
ME554155
-
-
-
164.0571
Purine
Purine
ME554059
-
-
-
121.0517
Purine riboside
Nebularine
ME554238
-
-
-
253.0941
Putrescine(1,4-Butanediamine)
Putrescine
ME554013
-
-
-
89.1075
Pyrazole
1H-pyrazole
ME554001
-
-
-
69.0451
Pyridoxal
Pyridoxal
ME554162
-
-
-
168.0659
Pyridoxamine
Pyridoxamine
ME554165
-
-
-
169.0981
Pyridoxamine 5'-phosphate
Pyridoxamine 5'-phosphate
ME554234
-
-
-
249.0641
Pyridoxine
Pyridoxine
ME554166
-
-
-
170.0819
Riboflavin
Riboflavin
ME554265
-
-
-
377.1470
Saccharopine
Saccharopine
ME554249
-
-
-
277.1404
SAH
S-Adenosylhomocysteine
ME554201
-
-
-
193.0700
SAM+
S-Adenosylmethionine
ME554205
-
-
-
200.0775
Sarcosine
Sarcosine
ME554016
-
-
-
90.0555
SDMA
Symmetric dimethylarginine
ME554208
-
-
-
203.1513
Sepiapterin
Sepiapterin
ME554226
-
-
-
238.0939
Ser
Serine
ME554034
-
-
-
106.0498
Serotonin
Serotonin
ME554180
-
-
-
177.1023
S-Lactoylglutathione
S-Lactoylglutathione
ME554266
-
-
-
380.1132
S-Methylmethionine
S-Methylmethionine
ME554156
-
-
-
164.0739
Spermidine
Spermidine
ME554120
-
-
-
146.1641
Spermine
Spermine
ME554024
-
-
-
102.1167
Synephrine
Synephrine
ME554164
-
-
-
168.1025
Taurine
Taurine
ME554073
-
-
-
126.0220
Taurocyamine
Taurocyamine
ME554161
-
-
-
168.0497
Tetrahydropalmatine
Tetrahydropalmatine
ME554263
-
-
-
356.1872
Thiamine
Thiamine
ME554242
-
-
-
265.1128
Thiamine monophosphate
Thiamine monophosphate
ME554262
-
-
-
345.0793
Thr
Threonine
ME554058
-
-
-
120.0656
Thymidine
Thymidine
ME554230
-
-
-
243.1182
Thymine
Thymine
ME554077
-
-
-
127.0510
trans-Zeatin
trans-Zeatin
ME554216
-
-
-
220.1202
TRH
Thyrotropin releasing hormone
ME554264
-
-
-
363.1793
Trientine
Trientine
ME554124
-
-
-
147.1608
Trigonelline
Trigonelline
ME554103
-
-
-
138.0551
Trimethylamine N-oxide
Trimethylamine N-oxide
ME554007
-
-
-
76.0767
Trimethylsulfonium
Trimethyl sulfonium
ME554010
-
-
-
77.0428
Tropine
Pseudotropine
ME554111
-
-
-
142.1236
Tropinone
Tropinone
ME554109
-
-
-
140.1075
Trp
Tryptophan
ME554210
-
-
-
205.0973
Tryptamine
Tryptamine
ME554147
-
-
-
161.1080
Tyr
Tyrosine
ME554188
-
-
-
182.0815
Tyramine
Tyramine
ME554106
-
-
-
138.0916
Uracil
Uracil
ME554042
-
-
-
113.0344
Urea
Urea
ME554000
-
-
-
61.0400
Uridine
Uridine
ME554232
-
-
-
245.0801
Urocanate
Urocanic acid
ME554107
-
-
-
139.0527
Val
Valine
ME554051
-
-
-
118.0866
Xanthine
Xanthine
ME554133
-
-
-
153.0404
Xanthopterin
Xanthopterin
ME554183
-
-
-
180.0516
Xanthosine
Xanthosine
ME554252
-
-
-
285.0835
Analysis: CE NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Hydroxydecanoate
10-Hydroxydecanoic acid
ME554404
-
-
-
187.1361
1-Aminoethylphosphonate
-
ME554326
-
-
-
124.0183
2',3'-cCMP
2',3' cyclic CMP
ME554438
-
-
-
304.0362
2,3-DPG
2,3-Diphosphoglyceric acid
ME554279
-
-
-
264.9540
2,3-Pyridinedicarboxylate
Quinolinic acid
ME554381
-
-
-
166.0158
2,4-Dihydroxypyrimidine-5-carboxylate
Uracil-5-carboxylic acid
ME554364
-
-
-
155.0115
2,5-Dihydroxybenzoate
Gentisic acid
ME554362
-
-
-
153.0202
2-Amino-3-phosphonopropionate
-
ME554385
-
-
-
168.0085
2-Aminoethylphosphonate
Ciliatine
ME554327
-
-
-
124.0171
2-Deoxyglucose 6-phosphate
2-Deoxy-D-glucose 6-phosphate
ME554431
-
-
-
243.0291
2-Deoxyribose 1-phosphate
Deoxyribose 1-phosphate
ME554426
-
-
-
213.0184
2-Furoate
2-Furoic acid
ME554319
-
-
-
111.0103
2-Hydroxy-4-methylpentanoate
D-Leucic acid
ME554340
-
-
-
131.0724
2-Hydroxybutyrate
2-Hydroxybutyric acid
ME554313
-
-
-
103.0410
2-Hydroxyglutarate
2-Hydroxyglutaric acid
ME554291
-
-
-
147.0311
2-Hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME554312
-
-
-
103.0412
2-Hydroxyoctanoate
2-Hydroxyoctanoic acid
ME554370
-
-
-
159.1039
2-Hydroxypentanoate
2-Hydroxyvaleric acid
ME554323
-
-
-
117.0565
2-Hydroxyphenylacetate
2-Hydroxyphenylacetic acid
ME554359
-
-
-
151.0418
2-Isopropylmalate
2-Isopropylmalic acid
ME554395
-
-
-
175.0628
2-Oxoadipate
Oxoadipic acid
ME554368
-
-
-
159.0311
2-Oxobutyrate
3-Methyl pyruvic acid
ME554308
-
-
-
101.0261
2-Oxoglutarate
Oxoglutaric acid
ME554290
-
-
-
145.0155
2-Oxoisopentanoate
Ketoisovaleric acid
ME554320
-
-
-
115.0411
2-Oxooctanoate
-
ME554366
-
-
-
157.0888
2PG
2-Phosphoglyceric acid
ME554281
-
-
-
184.9877
2-Quinolinecarboxylate
Quinaldic acid
ME554387
-
-
-
172.0412
2-Thiopheneacetate
2-Thienylacetic acid
ME554349
-
-
-
141.0041
3-(2-Hydroxyphenyl)propionate
3-(2-Hydroxyphenyl)propanoic acid
ME554379
-
-
-
165.0569
3-(4-Hydroxyphenyl)propionate
Desaminotyrosine
ME554380
-
-
-
165.0572
3',5'-Cyclic dAMP
-
ME554443
-
-
-
312.0528
3'-AMP
3'-AMP
ME554451
-
-
-
346.0582
3-Hydroxy-3-methylglutarate
3-Hydroxymethylglutaric acid
ME554372
-
-
-
161.0476
3-Hydroxybutyrate
3-Hydroxybutyric acid
ME554314
-
-
-
103.0407
3-Hydroxypropionate
Hydroxypropionic acid
ME554305
-
-
-
89.0256
3-Indolebutyrate
3-Indolebutyric acid
ME554419
-
-
-
202.0891
3-Indoxyl sulfate
Indoxyl sulfate
ME554425
-
-
-
212.0049
3-Methylbutanoate
Isovaleric acid
ME554310
-
-
-
101.0611
3PG
3-Phosphoglyceric acid
ME554280
-
-
-
184.9872
3-Phenyllactate
Phenyllactic acid
ME554378
-
-
-
165.0571
3-Phenylpropionate
Hydrocinnamic acid
ME554358
-
-
-
149.0616
3-Ureidopropionate
Ureidopropionic acid
ME554339
-
-
-
131.0468
4-Acetylbutyrate
5-Ketocaproic acid
ME554335
-
-
-
129.0563
4-Hydroxy-3-methoxymandelate
Vanillylmandelic acid
ME554415
-
-
-
197.0475
4-Hydroxymandelate
4-Hydroxymandelic acid
ME554383
-
-
-
167.0367
4-Methyl-2-oxopentanoate
Ketoleucine
ME554333
-
-
-
129.0567
4-Methylthio-2-oxobutyrate
2-Oxo-4-methylthiobutanoic acid
ME554353
-
-
-
147.0179
4-Oxohexanoate
-
ME554334
-
-
-
129.0567
4-Oxopentanoate
Levulinic acid
ME554321
-
-
-
115.0408
4-Pyridoxate
4-Pyridoxic acid
ME554399
-
-
-
182.0477
5-Oxoproline
Pyroglutamic acid
ME554330
-
-
-
128.0364
6-Hydroxyhexanoate
6-Hydroxycaproic acid
ME554341
-
-
-
131.0718
6-Phosphogluconate
6-Phosphogluconic acid
ME554296
-
-
-
275.0197
Acetyl CoA
Acetyl-CoA
ME554286
-
-
-
403.5589
Adenosine 3',5'-diphosphate
Adenosine 3',5'-diphosphate
ME554475
-
-
-
426.0243
Adenosine 5'-phosphosulfate
Adenosine phosphosulfate
ME554474
-
-
-
426.0152
Adenylosuccinate
Adenylsuccinic acid
ME554480
-
-
-
462.0698
Adipate
Adipic acid
ME554351
-
-
-
145.0515
ADP
ADP
ME554476
-
-
-
426.0246
ADP-glucose
ADP-glucose
ME554500
-
-
-
588.0788
ADP-ribose
ADP-ribose
ME554496
-
-
-
558.0673
Allantoate
Allantoic acid
ME554394
-
-
-
175.0486
AMP
AMP
ME554452
-
-
-
346.0583
ATP
ATP
ME554489
-
-
-
505.9911
Azelate
Azelaic acid
ME554403
-
-
-
187.0996
Barbiturate
Barbituric acid
ME554329
-
-
-
127.0161
Benzoate
Benzoic acid
ME554324
-
-
-
121.0316
Benzoylformate
Phenylglyoxylic acid
ME554357
-
-
-
149.0255
Benzylsuccinate
(R)-2-Benzylsuccinic acid
ME554422
-
-
-
207.0683
Biotin
Biotin
ME554432
-
-
-
243.0831
Butyrate
Butyric acid
ME554304
-
-
-
87.0460
cAMP
3',5' cyclic AMP
ME554447
-
-
-
328.0476
Carbamoylaspartate
Carbamoylaspartate
ME554393
-
-
-
175.0373
Carbamoylphosphate
Carbamoylphosphate
ME554347
-
-
-
139.9770
CDP
CDP
ME554466
-
-
-
402.0135
CDP-choline
CDP-choline
ME554495
-
-
-
547.1251
cGMP
3',5' cyclic GMP
ME554450
-
-
-
344.0424
Cholate
Cholic acid
ME554468
-
-
-
407.2830
cIMP
-
ME554448
-
-
-
329.0314
cis-Aconitate
cis-Aconitic acid
ME554288
-
-
-
173.0109
Citraconate
Citraconic acid
ME554332
-
-
-
129.0203
Citramalate
Citramalic acid
ME554354
-
-
-
147.0312
Citrate
Citric acid
ME554287
-
-
-
191.0216
CMP
CMP
ME554445
-
-
-
322.0473
CMP-N-acetylneuraminate
CMP-N-acetylneuraminic acid
ME554503
-
-
-
613.1423
CoA
Coenzyme A
ME554461
-
-
-
382.5540
Crotonate
Crotonic acid
ME554303
-
-
-
85.0310
CTP
CTP
ME554485
-
-
-
481.9799
Cysteate
Cysteic acid
ME554384
-
-
-
167.9993
Cysteine S-sulfate
Cysteine-S-sulfate
ME554417
-
-
-
199.9708
Cysteine sulfinate
3-Sulfino-alanine
ME554361
-
-
-
152.0039
dADP
dADP
ME554469
-
-
-
410.0296
dAMP
dAMP
ME554449
-
-
-
330.0637
dATP
dATP
ME554487
-
-
-
489.9963
dCDP
dCDP
ME554462
-
-
-
386.0180
dCMP
dCMP
ME554439
-
-
-
306.0521
dCTP
dCTP
ME554482
-
-
-
465.9843
Deamido-NAD+
Nicotinic acid adenine dinucleotide
ME554505
-
-
-
663.0900
Decanoate
Capric acid
ME554386
-
-
-
171.1404
dGTP
dGTP
ME554490
-
-
-
505.9910
DHAP
Dihydroxyacetone phosphate
ME554276
-
-
-
168.9918
Digalacturonate
Digalacturonic acid
ME554459
-
-
-
369.0700
Dihydroorotate
4,5-Dihydroorotic acid
ME554365
-
-
-
157.0270
dITP
dITP
ME554488
-
-
-
490.9797
Dodecanedioate
Dodecanedioic acid
ME554430
-
-
-
229.1468
Dodecanoate
Lauric acid
ME554416
-
-
-
199.1723
dTDP
dTDP
ME554465
-
-
-
401.0183
dTMP
dTMP
ME554444
-
-
-
321.0517
dTTP
dTTP
ME554484
-
-
-
480.9846
dUDP
dUDP
ME554463
-
-
-
387.0024
dUMP
dUMP
ME554440
-
-
-
307.0359
dUTP
dUTP
ME554483
-
-
-
466.9686
Ethanolamine phosphate
Phosphoethanolamine
ME554348
-
-
-
140.0129
F1,6P
Fructose 1,6-bisphosphate
ME554275
-
-
-
338.9905
F6P
Fructose 6-phosphate
ME554274
-
-
-
259.0249
FAD
FAD
ME554508
-
-
-
784.1531
Folate
Folic acid
ME554478
-
-
-
440.1351
Fumarate
Fumaric acid
ME554294
-
-
-
115.0054
G1P
Glucose 1-phosphate
ME554272
-
-
-
259.0252
G3P
Glyceraldehyde 3-phosphate
ME554278
-
-
-
168.9919
G6P
Glucose 6-phosphate
ME554273
-
-
-
259.0243
Galacturonate 1-phosphate
-
ME554434
-
-
-
273.0043
GDP
GDP
ME554479
-
-
-
442.0186
GDP-mannose
GDP-mannose
ME554501
-
-
-
604.0732
Gluconate
Gluconic acid
ME554413
-
-
-
195.0526
Glucosamine 6-phosphate
Glucosamine 6-phosphate
ME554285
-
-
-
258.0404
Glucuronate
Glucuronic acid
ME554410
-
-
-
193.0365
Glutarate
Glutaric acid
ME554338
-
-
-
131.0359
Glycerate
Glyceric acid
ME554316
-
-
-
105.0208
Glycerophosphate
sn-Glycero-3-phosphate
ME554277
-
-
-
171.0084
Glycocholate
Glycocholic acid
ME554481
-
-
-
464.3048
Glycolate
Glycolic acid
ME554302
-
-
-
75.0101
Glyoxylate
Glyoxylic acid
ME554300
-
-
-
72.9945
GMP
GMP
ME554456
-
-
-
362.0536
GTP
GTP
ME554493
-
-
-
521.9859
Heptanoate
Heptylic acid
ME554336
-
-
-
129.0937
Hexanoate
Caproic acid
ME554322
-
-
-
115.0766
Hippurate
Hippuric acid
ME554397
-
-
-
178.0529
Homovanillate
Homovanillic acid
ME554398
-
-
-
181.0515
IDP
IDP
ME554477
-
-
-
427.0081
IMP
IMP
ME554453
-
-
-
347.0419
Isethionate
2-Hydroxyethanesulfonate
ME554328
-
-
-
124.9921
Isobutyryl CoA
Isobutyryl-CoA
ME554471
-
-
-
417.5757
Isocitrate
Isocitric acid
ME554289
-
-
-
191.0219
Itaconate
Itaconic acid
ME554331
-
-
-
129.0206
ITP
ITP
ME554491
-
-
-
506.9748
Lactate
Lactic acid
ME554284
-
-
-
89.0258
Malate
Malic acid
ME554295
-
-
-
133.0156
Malonate
Malonic acid
ME554311
-
-
-
103.0050
Malonyl CoA
Malonyl-CoA
ME554473
-
-
-
425.5549
Methanesulfonate
Methanesulfonic acid
ME554306
-
-
-
94.9827
Methyl sulfate
Methyl sulfate
ME554318
-
-
-
110.9770
(Methylthio)acetate
(Methylthio)acetic acid
ME554315
-
-
-
105.0023
m-Hydroxybenzoate
3-Hydroxybenzoic acid
ME554345
-
-
-
137.0262
Mucate
Galactaric acid
ME554424
-
-
-
209.0324
N-Acetylaspartate
N-Acetylaspartic acid
ME554392
-
-
-
174.0426
N-Acetyl-beta-alanine
N-Acetyl-beta-alanine
ME554337
-
-
-
130.0521
N-Acetylglucosamine 1-phosphate
N-Acetyl-D-glucosamine 1-phosphate
ME554436
-
-
-
300.0515
N-Acetylglucosamine 6-phosphate
N-Acetyl-glucosamine 6-phosphate
ME554437
-
-
-
300.0511
N-Acetylglutamate
N-Acetylglutamic acid
ME554405
-
-
-
188.0584
N-Acetylleucine
N-Acetylleucine
ME554388
-
-
-
172.0991
N-Acetylmethionine
N-Acetylmethionine
ME554407
-
-
-
190.0563
N-Acetylmuramate
N-Acetylmuramic acid
ME554435
-
-
-
292.1059
N-Acetylneuraminate
N-Acetylneuraminic acid
ME554441
-
-
-
308.1011
N-Acetylphenylalanine
N-Acetylphenylalanine
ME554421
-
-
-
206.0844
NAD+
NAD+
ME554504
-
-
-
662.1037
NADH
NADH
ME554506
-
-
-
664.1170
NADP+
NADP+
ME554507
-
-
-
742.0711
NADPH
NADPH
ME554460
-
-
-
371.5417
N-Carbamylglutamate
Carglumic acid
ME554406
-
-
-
189.0531
N-Formylaspartate
N-Formyl-aspartic acid
ME554371
-
-
-
160.0270
N-Formylmethionine
N-Formylmethionine
ME554396
-
-
-
176.0401
Nicotinate
Nicotinic acid
ME554325
-
-
-
122.0261
o-Coumarate
trans-o-Coumaric acid
ME554375
-
-
-
163.0415
Octanoate
Caprylic acid
ME554350
-
-
-
143.1084
o-Hydroxybenzoate
Salicylic acid
ME554343
-
-
-
137.0261
o-Hydroxyhippurate
Salicyluric acid
ME554412
-
-
-
194.0479
O-Phosphoserine
DL-O-Phosphoserine
ME554401
-
-
-
184.0035
Orotate
Orotic acid
ME554363
-
-
-
155.0109
Orotidine 5'-monophosphate
Orotidylic acid
ME554458
-
-
-
367.0210
P1, P4-Di(adenosine-5') tetraphosphate
-
ME554470
-
-
-
417.0205
Pantothenate
Pantothenic acid
ME554427
-
-
-
218.1050
p-Coumarate
cis-p-Coumaric acid
ME554374
-
-
-
163.0416
Pelargonate
Pelargonic acid
ME554367
-
-
-
157.1247
Pentanoate
Valeric acid
ME554309
-
-
-
101.0613
PEP
Phosphoenolpyruvic acid
ME554282
-
-
-
166.9766
Phenaceturate
Phenylacetylglycine
ME554409
-
-
-
192.0683
Phenyl phosphate
Phenyl phosphate
ME554389
-
-
-
173.0025
Phenylpyruvate
Phenylpyruvic acid
ME554373
-
-
-
163.0409
Phosphonoacetate
Phosphonoacetate
ME554346
-
-
-
138.9825
Phthalate
Phthalic acid
ME554377
-
-
-
165.0206
p-Hydroxybenzoate
4-Hydroxybenzoic acid
ME554344
-
-
-
137.0249
p-Hydroxyphenylacetate
4-Hydroxyphenylacetic acid
ME554360
-
-
-
151.0412
Pimelate
Pimelic acid
ME554369
-
-
-
159.0673
Porphobilinogen
Porphobilinogen
ME554429
-
-
-
225.0900
Propionate
Propionic acid
ME554301
-
-
-
73.0303
Prostaglandin E2
PGE2
ME554454
-
-
-
351.2202
Prostaglandin F2alpha
PGF2alpha
ME554455
-
-
-
353.2361
PRPP
Phosphoribosyl pyrophosphate
ME554464
-
-
-
388.9492
Pyrrole-2-carboxylate
Pyrrole-2-carboxylic acid
ME554317
-
-
-
110.0259
Pyruvate
Pyruvic acid
ME554283
-
-
-
87.0104
Quinate
Quinic acid
ME554408
-
-
-
191.0579
R5P
Ribose 5-phosphate
ME554298
-
-
-
229.0132
Ribulose 1,5-diphosphate
Ribulose 1,5-bisphosphate
ME554442
-
-
-
308.9805
Ru5P
Ribulose 5-phosphate
ME554297
-
-
-
229.0140
S7P
Sedoheptulose 7-phosphate
ME554299
-
-
-
289.0356
Saccharate
Glucaric acid
ME554423
-
-
-
209.0323
Sebacate
Sebacic acid
ME554418
-
-
-
201.1152
Serine O-sulfate
Serine-O-sulfate
ME554400
-
-
-
183.9931
Shikimate
Shikimic acid
ME554391
-
-
-
173.0469
Sinapate
Sinapic acid
ME554428
-
-
-
223.0633
Sorbitol 6-phosphate
Pseudouridine
ME554433
-
-
-
261.0398
Succinate
Succinic acid
ME554293
-
-
-
117.0204
Succinyl CoA
Succinyl-CoA
ME554292
-
-
-
432.5625
Syringate
Syringic acid
ME554414
-
-
-
197.0461
Tartrate
Tartaric acid
ME554356
-
-
-
149.0104
Taurocholate
Taurocholic acid
ME554492
-
-
-
514.2870
TDP-glucose
dTDP-glucose
ME554497
-
-
-
563.0702
Terephthalate
Terephthalic acid
ME554376
-
-
-
165.0207
threo-beta-methylaspartate
-
ME554352
-
-
-
146.0475
Threonate
Threonic acid
ME554342
-
-
-
135.0314
Tiglate
Tiglic acid
ME554307
-
-
-
99.0460
trans-4-Hydroxy-3-methoxycinnamate
trans-Ferulic acid
ME554411
-
-
-
193.0511
trans-Aconitate
trans-Aconitic acid
ME554390
-
-
-
173.0106
trans-Cinnamate
trans-Cinnamic acid
ME554355
-
-
-
147.0469
Trehalose 6-phosphate
Trehalose 6-phosphate
ME554472
-
-
-
421.0779
UDP
UDP
ME554467
-
-
-
402.9973
UDP-glucose
UDP-glucose
ME554498
-
-
-
565.0504
UDP-glucuronate
UDP-glucuronic acid
ME554499
-
-
-
579.0294
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME554502
-
-
-
606.0771
UMP
UMP
ME554446
-
-
-
323.0298
Undecanoate
Undecylic acid
ME554402
-
-
-
185.1566
Urate
Uric acid
ME554382
-
-
-
167.0229
UTP
UTP
ME554486
-
-
-
482.9638
Xanthurenate
Xanthurenic acid
ME554420
-
-
-
204.0323
XMP
XMP
ME554457
-
-
-
363.0374
XTP
Xanthosine 5-triphosphate
ME554494
-
-
-
522.9701
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel