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
Structure drawing
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 ST000446 main page
Analysis: UHPLC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME150930
119
-
0.77
104.0709
Choline
Choline
ME151025
305
-
0.80
104.1071
2-AMINOPHENOL
2-Aminophenol
ME150923
5801
-
1.93
110.0602
Isocytosine
2-Amino-4-hydroxypyrimidine
ME151047
66950
-
1.49
112.0505
CYTOSINE
Cytosine
ME151029
597
-
0.86
112.0509
URACIL
Uracil
ME151100
1174
-
1.37
113.0348
CREATININE
Creatinine
ME151027
588
-
0.92
114.0663
5,6-DIHYDROURACIL
Dihydrouracil
ME150934
649
-
1.26
115.0503
L-HOMOCYSTEINE THIOLACTONE
L-Homocysteine thiolactone
ME151059
134505
-
0.94
118.0325
BETAINE
Betaine
ME151022
247
-
0.81
118.0863
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME151064
-
-
1.07
118.0865
Anthranilate
2-Aminobenzoic acid
ME150947
227
-
8.62
120.0448
THREONINE/HOMOSERINE
Threonine/Homoserine
ME151093
-
-
0.73
120.0656
PHENETHYLAMINE
Phenylethylamine
ME151081
1001
-
6.83
122.0967
PICOLINIC ACID
Picolinic acid
ME151084
1018
-
1.31
124.0397
5-METHYLCYTOSINE HYDROCLORIDE
5-Methylcytosine
ME150936
65040
-
1.13
126.0664
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME150933
96215
-
0.93
127.0503
THYMINE
Thymine
ME151094
1135
-
3.24
127.0503
Sulcatol
(R)-Sulcatol
ME151092
20745
-
8.97
129.1278
Pyroglutamic Acid
Pyroglutamic acid
ME151088
7405
-
1.79
130.0500
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME151085
439227
-
1.29
130.0866
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME151074
122356
-
1.07
131.1179
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME150932
5810
-
0.75
132.0657
CREATINE
Creatine
ME151026
586
-
0.96
132.0772
L-Isoleucine
Isoleucine
ME151060
6306
-
2.03
132.1020
3-UREIDOPROPIONATE
Ureidopropionic acid
ME150929
111
-
1.28
133.0610
L-ASPARAGINE
Asparagine
ME151053
6267
-
0.71
133.0610
ASPARTATE
Aspartic acid
ME150949
5960
-
0.82
134.0449
HOMOCYSTEINE
Homocysteine
ME151043
778
-
1.02
136.0430
ADENINE
Adenine
ME150940
190
-
1.41
136.0619
HYPOXANTHINE
Hypoxanthine
ME151045
790
-
2.01
137.0457
Allopurinol
Allopurinol
ME150945
2094
-
6.16
137.0458
Trigonelline
Trigonelline
ME151097
5570
-
0.90
138.0549
ANTHRANILATE/4-AMINOBENZOATE
-
ME150948
-
-
7.99
138.0553
TYRAMINE
Tyramine
ME151099
5610
-
4.47
138.0917
Stachydrine
Stachydrine
ME151091
115244
-
1.03
144.1023
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME150931
500
-
1.51
146.0924
L-GLUTAMINE
Glutamine
ME151057
5961
-
0.85
147.0763
DIMETHYLBENZIMIDAZOLE
Dimethylbenzimidazole
ME151032
675
-
7.34
147.0917
N-ACETYL-DL-SERINE
N-Acetylserine
ME151070
352294
-
1.06
148.0606
L-GLUTAMIC ACID
Glutamic acid
ME151056
33032
-
0.76
148.0607
3-METHYL-2-OXINDOLE
3-Methyloxindole
ME150928
150923
-
8.66
148.0761
TRANS-CINNAMATE
trans-Cinnamic acid
ME151095
444539
-
9.78
149.0595
L-METHIONINE
Methionine
ME151061
6137
-
1.34
150.0588
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME150921
17520
-
9.96
152.0165
GUANINE
Guanine
ME151040
764
-
1.46
152.0566
Acetaminophen/Paracetamol
Acetaminophen
ME150938
1983
-
7.01
152.0708
Resorcinol monoacetate
Resorcinol monoacetate
ME151089
5055
-
8.29
153.0545
GLUTARATE
Glutaric acid
ME151036
743
-
4.61
155.0314
L-HISTIDINE
Histidine
ME151058
6274
-
0.71
156.0768
Dipropylene glycol
-
ME151033
6510
-
6.46
157.0837
Dihydroxyquinoine
Dihydroxyquinoline
ME151031
54680871
-
8.10
162.0550
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME150946
-
-
0.89
162.0764
L-CARNITINE
Carnitine
ME151054
10917
-
0.90
162.1126
2,4-DIHYDROXYPTERIDINE
Lumazine
ME150922
10250
-
3.50
165.0410
Methionine Sulfoxide
Methionine sulfoxide
ME151066
847
-
0.78
166.0537
Phenylalanine
Phenylalanine
ME151082
6140
-
6.05
166.0863
PYRIDOXAL
Pyridoxal
ME151087
1050
-
1.78
168.0650
3-METHOXYTYRAMINE
3-Methoxytyramine
ME150927
1669
-
6.35
168.1013
ALDOPENTOSE
Aldopentose
ME150944
-
-
0.85
173.0425
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME151072
70912
-
7.77
174.1122
C5-SUGAR ALCOHOL
Dihydroxyquinoline
ME151024
-
-
0.74
175.0583
L-ARGININE
Arginine
ME151052
6322
-
0.71
175.1189
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME151071
65065
-
1.62
176.0557
INDOLE-3-ACETATE
Indoleacetic acid
ME151046
802
-
9.16
176.0711
SEROTONIN
Serotonin
ME151090
5202
-
6.34
177.1025
Hippuric Acid
Hippuric acid
ME151042
464
-
7.94
180.0660
L-TYROSINE
Tyrosine
ME151063
6057
-
3.25
182.0811
Triethyl phosphate
Triethyl phosphate
ME151096
6535
-
9.33
183.0779
PHOSPHOCHOLINE
Choline phosphate
ME151083
1014
-
0.73
184.0734
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME150926
1662
-
3.04
185.0425
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME151050
439278
-
0.76
187.0002
6-DEOXY-HEXOSE
-
ME150937
840
-
0.93
187.0577
Glycyl-L-leucine
Gly-Leu
ME151039
92843
-
6.80
189.1233
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME151075
92907
-
1.24
189.1234
Kynurenic Acid
Kynurenic acid
ME151048
3845
-
7.67
190.0498
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME151069
185
-
2.16
190.0710
METHYL INDOLE-3-ACETATE
Indole-3-methyl acetate
ME151067
74706
-
10.71
190.0866
ALDO/KETO-HEXOSE
Hexose
ME150943
-
-
0.75
203.0527
L-Acetylcarnitine
CAR 2:0
ME151051
7045767
-
3.81
204.1232
Tryptophan
Tryptophan
ME151098
6305
-
7.65
205.0976
KYNURENINE
Kynurenine
ME151049
846
-
6.33
209.0917
N-Butylbenzenesulfonamide
-
ME151076
19241
-
11.96
214.0883
L-Tryptophan 13C11
Tryptophan
ME151062
-
-
7.55
216.1337
Proprionylcarnitine
CAR DC3:0
ME151086
107738
-
6.69
218.1389
3,5-Di-tert-butylbenzaldehyde
-
ME150924
6440942
-
14.31
219.1740
Pantothenic Acid
Pantothenic acid
ME151079
6613
-
6.62
220.1187
Monobutyl phthalate
Monobutylphthalate
ME151068
8575
-
12.41
223.0962
Leu Pro
Leu-Pro
ME151055
-
-
7.27
229.1552
CYTIDINE
Cytidine
ME151028
6175
-
1.50
244.0934
Acyl-Carnitine(4-OH)
CAR 4:0;OH
ME150939
-
-
5.48
248.1494
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME150935
439182
-
6.01
252.1094
PEG n5
Pentaethylene glycol
ME151080
62551
-
7.07
261.1315
URIDINE
Uridine
ME151101
6029
-
2.79
267.0593
Homocystine
Homocystine
ME151044
10100
-
1.01
269.0619
Dibutyl phthalate
Dibutyl phthalate
ME151030
3026
-
14.71
279.1589
Glutathione Disulfide
Oxidized glutathione
ME151037
65359
-
3.82
307.0835
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME151073
439197
-
0.80
310.1121
3'-CMP
3'-CMP
ME150925
6131
-
1.69
324.0590
URIDINE-5-MONOPHOSPHATE
UMP
ME151102
6030
-
1.26
325.0438
Garcinia lactone dibutyl ester
-
ME151035
-
-
8.74
325.1240
Erucamide
13Z-Docosenamide
ME151034
5365371
-
16.88
338.3417
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME150941
6083
-
1.59
348.0713
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME151041
-
-
0.80
365.1055
Bis(2-ethylhexyl) phthalate
Bis(2-ethylhexyl)phthalate
ME151023
8343
-
16.63
391.2843
LysoPE (18:1)
LPE 18:1
ME151065
9547071
-
13.64
480.3075
OxPC (20:3(KeKe))
-
ME151078
-
-
7.02
588.2988
GLYCINE
Glycine
ME151038
750
-
0.80
76.0394
ALANINE/SARCOSINE
Alanine/Sarcosine
ME150942
-
-
0.94
90.0551
Orthophosphate
Phosphoric acid
ME151077
1061
-
0.74
98.9844
Analysis: UHPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
GLYCERIC ACID
Glyceric acid
ME151144
439194
-
0.82
105.0191
SUCCINATE
Succinic acid
ME151163
1110
-
2.26
117.0196
4-oxoproline
4-Oxo-proline
ME151117
107541
-
1.70
128.0353
3-METHYL-2-OXOVALERIC ACID
3-Methyl-2-oxovaleric acid
ME151113
47
-
6.72
129.0561
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME151116
70
-
7.32
129.0561
N-ACETYL-L-ALANINE
N-Acetylalanine
ME151157
88064
-
2.19
130.0511
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME151119
14490
-
7.98
131.0714
MALATE
Malic acid
ME151152
92824
-
1.00
133.0145
ADENINE
Adenine
ME151120
190
-
1.43
134.0473
HYPOXANTHINE
Hypoxanthine
ME151146
790
-
2.02
135.0316
ANTHRANILATE_R1
2-Aminobenzoic acid
ME151123
227
-
7.97
136.0406
ANTHRANILATE_R2
2-Aminobenzoic acid
ME151124
227
-
7.85
136.0407
N-ACETYL-DL-SERINE
N-Acetylserine
ME151155
352294
-
1.05
146.0460
L-METHIONINE
Methionine
ME151149
6137
-
1.34
148.0439
TARTARIC ACID
Tartaric acid
ME151164
444305
-
0.82
149.0090
ALDOPENTOSE
Aldopentose
ME151122
-
-
0.86
149.0459
XANTHINE
Xanthine
ME151165
1188
-
2.48
151.0261
3-HYDROXYPHENYLACETATE
3-Hydroxyphenylacetic acid
ME151112
12122
-
7.46
151.0402
4-Hydroxyphenylacetate
4-Hydroxyphenyl acetate
ME151115
127
-
8.24
151.0403
3-AMINO-5-HYDROXYBENZOIC ACID
3-Amino-5-hydroxybenzoic acid
ME151107
127115
-
1.93
152.0354
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME151160
439377
-
0.88
160.0618
3-HYDROXY-3-METHYLGLUTARATE
3-Hydroxymethylglutaric acid
ME151110
1662
-
3.04
161.0459
2-deoxy-D-galactose (fructose/glucose)
-
ME151104
-
-
1.04
163.0612
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME151105
873
-
8.74
165.0560
INDOLE-3-ACETATE
Indoleacetic acid
ME151147
802
-
9.16
174.0565
Ascorbic acid
Vitamin C
ME151125
54670067
-
1.27
175.0237
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME151139
-
-
0.81
179.0559
L-TYROSINE
Tyrosine
ME151150
6057
-
3.24
180.0668
HOMOVANILLATE
Homovanillic acid
ME151145
1738
-
7.50
181.0506
2,4-Dinitrophenol (herbicide)
2,4-Dinitrophenol
ME151103
1493
-
11.02
183.0046
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME151148
439278
-
0.77
184.9860
P-Cresol Sulfate
p-Cresol sulfate
ME151161
4615423
-
8.51
187.0070
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME151159
92907
-
1.25
187.1089
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME151111
26612
-
11.33
187.1343
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME151154
185
-
2.17
188.0568
3,4-Dihydroxybenzenesulfonic Acid
3,4-Dihydroxybenzenesulfonic acid
ME151106
189003
-
6.60
188.9861
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME151142
-
-
0.74
195.0508
Erythrose 4-Phosphate
Erythrose 4-phosphate
ME151141
122357
-
0.82
199.0013
3-tert-Butyladipic acid
Sebacic acid
ME151114
5192
-
9.88
201.1131
PHOSPHOCHOLINE
Choline phosphate
ME151162
1014
-
0.77
218.0346
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME151118
144
-
6.04
219.0780
Monobutyl phthalate
Monobutylphthalate
ME151153
8575
-
11.43
221.0818
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME151156
439281
-
0.99
256.0593
GLUTATHIONE
Glutathione
ME151143
124886
-
1.54
306.0768
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME151158
439197
-
0.80
308.0995
3'-CMP_R2
3'-CMP
ME151109
6131
-
1.70
322.0455
3'-CMP_R1
3'-CMP
ME151108
6131
-
1.58
322.0456
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME151121
6083
-
1.61
346.0556
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME151140
-
-
0.80
377.0859
LysoPI (23:0)
LPI 23:0
ME151151
-
-
9.68
669.3990
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel