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 ST001232 main page
Analysis: Normal phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-aminobutyrate
gamma-Aminobutyric acid
ME291064
-
-
4
102.0561
serine
Serine
ME291232
-
-
1.14
104.035
glycerate
Glyceric acid
ME291146
-
-
6.35
105.0193
proline
Proline
ME291214
-
-
1.27
114.056
fumarate
Fumaric acid
ME291138
-
-
13.49
115.0037
maleic acid
Maleic acid
ME291176
-
-
12.71
115.004
2-keto-isovalerate
Ketoisovaleric acid
ME291060
-
-
13.06
115.04
Acetyl-glycine
N-Acetylglycine
ME291074
-
-
7.44
116.035
indole
Indole
ME291162
-
-
7.5
116.05
5-aminopentanoic acid
5-Aminopentanoic acid
ME291068
-
-
1.18
116.072
valine
Valine
ME291254
-
-
1.45
116.072
succinate/Methylmalonic acid
Methylmalonic acid
ME291236
-
-
11.72
117.0193
threonine/homoserine
Threonine/Homoserine
ME291242
-
-
1
118.051
nicotinate
Nicotinic acid
ME291192
-
-
11.2
122.0248
taurine
Taurine
ME291238
-
-
0.82
124.007
Pyroglutamic acid
Pyroglutamic acid
ME291217
-
-
7.69
128.0353
DL-Pipecolic Acid
Pipecolic acid
ME291123
-
-
1.2
128.072
Citraconic acid
Citraconic acid
ME291098
-
-
13.29
129.019
Ketoleucine
Ketoleucine
ME291167
-
-
14.3
129.056
N-Acetylputrescine
N-Acetylputrescine
ME291185
-
-
1
129.103
hydroxyproline/Aminolevulinate
cis-3-Hydroxyproline
ME291158
-
-
1.15
130.051
N-Acetyl-L-alanine
N-Acetylalanine
ME291183
-
-
8.51
130.051
isoleucine
Isoleucine
ME291165
-
-
2.22
130.087
leucine
Leucine
ME291173
-
-
2.6
130.087
oxaloacetate
Oxaloacetic acid
ME291200
-
-
13.64
130.999
asparagine
Asparagine
ME291087
-
-
1.15
131.046
Hydroxyisocaproic acid
Hydroxyisocaproic acid
ME291155
-
-
14.14
131.071
ornithine
Ornithine
ME291197
-
-
1
131.0826
aspartate
Aspartic acid
ME291088
-
-
4.28
132.03
malate
Malic acid
ME291175
-
-
12.7
133.0142
adenine
Adenine
ME291078
-
-
3.5
134.047
hypoxanthine
Hypoxanthine
ME291159
-
-
1.18
135.0312
anthranilate
2-Aminobenzoic acid
ME291085
-
-
13.51
136.04
p-aminobenzoate
p-Aminobenzoic acid
ME291201
-
-
8.7
136.04
p-hydroxybenzoate
4-Hydroxybenzoic acid
ME291212
-
-
10.88
137.0244
Labelled Aspartate
-
ME291169
-
-
4.28
137.041
acetylphosphate
Acetylphosphate
ME291076
-
-
12.74
138.98
a-ketoglutarate
2-Oxoglutaric acid
ME291082
-
-
13.13
145.0142
glutamine
Glutamine
ME291143
-
-
1.17
145.062
lysine
Lysine
ME291174
-
-
0.85
145.098
glutamate
Glutamic acid
ME291142
-
-
3.26
146.046
O-acetyl-L-serine
O-Acetylserine
ME291194
-
-
1.1
146.046
2-oxo-4-methylthiobutanoate
2-Oxo-4-methylthiobutanoic acid
ME291061
-
-
13.75
147.0121
2-Hydroxy-2-methylbutanedioic acid
Citramalic acid
ME291058
-
-
12.06
147.03385
methionine
Methionine
ME291177
-
-
1.77
148.044
ribose
Ribose
ME291222
-
-
1.22
149.046
guanine
Guanine
ME291149
-
-
3.4
150.0421
xanthine
Xanthine
ME291256
-
-
2.69
151.0262
Hydroxyphenylacetic acid
Hydroxyphenylacetic acid
ME291156
-
-
14.68
151.04
histidine
Histidine
ME291152
-
-
0.87
154.062
orotate
Orotic acid
ME291198
-
-
8.1
155.0098
dihydroorotate
4,5-Dihydroorotic acid
ME291121
-
-
6.9
157.0255
Aminoadipic acid
Aminoadipic acid
ME291084
-
-
3.22
160.062
carnitine
Carnitine
ME291091
-
-
1
160.0979
phenylpyruvate
Phenylpyruvic acid
ME291210
-
-
15.1
163.0401
phenylalanine
Phenylalanine
ME291208
-
-
4.37
164.072
Phenyllactic acid
Phenyllactic acid
ME291209
-
-
14.68
165.056
quinolinate
Quinolinic acid
ME291220
-
-
13.58
166.015
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME291211
-
-
13.83
166.9751
pyridoxine
Pyridoxine
ME291216
-
-
1.8
168.067
D-glyceraldehdye-phosphate/dihydroxy-acetone-phosp...
-
ME291118
-
-
9
168.991
sn-glycerol-3-phosphate
sn-Glycero-3-phosphate
ME291235
-
-
7.3
171.0064
aconitate
trans-Aconitic acid
ME291077
-
-
14
173.0092
N-acetyl-L-ornithine
N-Acetylornithine
ME291184
-
-
1.21
173.0932
arginine
Arginine
ME291086
-
-
0.87
173.104
acetyl-aspartate
N-Acetylaspartic acid
ME291072
-
-
13
174.041
N-carbamoyl-L-aspartate
Carbamoylaspartate
ME291190
-
-
12.25
175.036
2-Isopropylmalic acid
2-Isopropylmalic acid
ME291059
-
-
13.87
175.061
Pyrophosphate
Pyrophosphate
ME291218
-
-
13.87
176.936
glucono-lactone
Gluconolactone
ME291140
-
-
6.9
177.04
hydroxyphenylpyruvate
-
ME291157
-
-
13.58
179.035
Hexose
Hexose
ME291151
-
-
1.13
179.056
myo-inositol
Myo-inositol
ME291178
-
-
7.2
179.0561
tyrosine
Tyrosine
ME291246
-
-
2
180.067
homocysteic acid
Homocysteic acid
ME291153
-
-
4.8
182.013
4-Pyridoxic acid
4-Pyridoxic acid
ME291067
-
-
14.14
182.0459
3-phospho-serine
Phosphoserine
ME291063
-
-
8.2
184.0017
3-phosphoglycerate
3-Phosphoglyceric acid
ME291062
-
-
13.58
184.9857
Indoleacrylic acid
Indoleacrylic acid
ME291163
-
-
14.94
186.056
N-acetyl-glutamine
N-Acetylglutamine
ME291182
-
-
7
187.0724
Acetyllysine
N(2)-Acetyllysine
ME291075
-
-
1.1
187.1088
N-acetyl-glutamate
N-Acetylglutamic acid
ME291181
-
-
13.37
188.0564
citrate/isocitrate
Citric acid/Isocitric acid
ME291099
-
-
13.6
191.0197
2-dehydro-D-gluconate
2-Dehydro-D-gluconic acid
ME291057
-
-
5
193.0354
D-gluconate
Gluconic acid
ME291116
-
-
5
195.051
tryptophan
Tryptophan
ME291245
-
-
7.5
203.083
Xanthurenic acid
Xanthurenic acid
ME291259
-
-
14.14
204.03
Kynurenine
Kynurenine
ME291168
-
-
3.6
207.078
D-glucarate
Glucaric acid
ME291115
-
-
13
209.03
deoxyribose-phosphate
Deoxyribose 5-phosphate
ME291112
-
-
7.74
213.017
pantothenate
Pantothenic acid
ME291202
-
-
10.69
218.103
SD
Ser-Asp
ME291229
-
-
4.08
219.0623
Flavone
Flavone
ME291133
-
-
7.7
221.061
prephenate
Prephenic acid
ME291213
-
-
13.87
225.04
deoxyuridine
Deoxyuridine
ME291113
-
-
3.54
227.067
ribose-phosphate
Ribose 5-phosphate
ME291224
-
-
6
229.0119
Ribose-5-phosphate
Ribose 5-phosphate
ME291223
-
-
6.94
229.012
ribulose-5-phosphate
Ribulose 5-phosphate
ME291225
-
-
7.81
229.012
PD
Pro-Asp
ME291203
-
-
4.68
229.083
VD
-
ME291255
-
-
6.33
231.0986
thymidine
Thymidine
ME291243
-
-
5.4
241.083
cytidine
Cytidine
ME291104
-
-
1.2
242.0782
uridine
Uridine
ME291252
-
-
1.7
243.0623
biotin
Biotin
ME291090
-
-
12.92
243.08
PE
-
ME291204
-
-
4.55
243.0986
EV
-
ME291131
-
-
7.99
243.099
LD
-
ME291172
-
-
8.65
245.1143
deoxyinosine
Deoxyinosine
ME291111
-
-
3.9
251.0786
D-glucosamine-1/6-phosphate
-
ME291117
-
-
1.9
258.038
glucose-1-phosphate
Glucose 1-phosphate
ME291141
-
-
7.98
259.022
fructose-6-phosphate
Fructose 6-phosphate
ME291137
-
-
7.98
259.0227
thiamine
Thiamine
ME291239
-
-
0.94
263.097
1_3-Bisphosphoglyceric acid
3-Phospho-D-glyceroyl dihydrogen phosphate
ME291055
-
-
13.87
264.952
2_3-Diphosphoglyceric acid
2,3-Diphosphoglyceric acid
ME291056
-
-
14.68
264.952
deoxyguanosine
Deoxyguanosine
ME291110
-
-
4.8
266.089
adenosine
Adenosine
ME291079
-
-
1.27
266.0895
inosine
Inosine
ME291164
-
-
3.5
267.0735
6-phospho-D-gluconate
6-Phosphogluconic acid
ME291071
-
-
13.38
275.0174
chlorpropamide
Chlorpropamide
ME291096
-
-
17.2
275.026
guanosine
Guanosine
ME291150
-
-
4
282.0844
xanthosine
Xanthosine
ME291257
-
-
7.77
283.0684
D-sedoheptulose-1/7-phosphate
-
ME291125
-
-
7.29
289.033
L-arginino-succinate
Argininosuccinic acid
ME291171
-
-
3.25
289.115
S-methyl-5'-thioadenosine
5'-Methylthioadenosine
ME291234
-
-
11.6
296.082
N-acetyl-glucosamine-1/6-phosphate
-
ME291180
-
-
7.3
300.049
4-phosphopantothenate
(R)-4'-Phosphopantothenic acid
ME291066
-
-
13.94
300.08429
cCMP
-
ME291092
-
-
4.91
304.034
dCMP
dCMP
ME291108
-
-
9.8
306.0497
glutathione
Glutathione
ME291144
-
-
8.02
306.077
dUMP
dUMP
ME291129
-
-
10.28
307.0337
Isopentyl-PP
-
ME291166
-
-
15.06
317.092
Octoluse 8/1P
-
ME291195
-
-
6
319.044
dTMP
dTMP
ME291127
-
-
11.27
321.0493
CMP
CMP
ME291100
-
-
8.61
322.0446
coenzyme A
Coenzyme A
ME291101
-
-
15.93
322.045
UMP
UMP
ME291251
-
-
10.32
323.0286
cyclic-AMP
3',5' cyclic AMP
ME291103
-
-
12.97
328.0452
dAMP
dAMP
ME291105
-
-
12
330.0609
DLS
Asp-Leu-Ser
ME291124
-
-
11.46
332.146
SDL
-
ME291230
-
-
11.22
332.146
SID
-
ME291233
-
-
10.96
332.146
nicotinamide mononucleotide
Nicotinamide ribotide
ME291191
-
-
1.71
333.049
Nicotinic acid mononucleotide
Nicotinic acid mononucleotide
ME291193
-
-
11.44
334.033
fructose-1-6-bisphosphate
Fructose 1,6-bisphosphate
ME291136
-
-
13.6
338.9888
thiamine-phosphate
TMP
ME291241
-
-
11.11
343.064
dGMP/AMP
dGMP
ME291119
-
-
11
346.0558
IMP
IMP
ME291161
-
-
10.5
347.0398
Phenol Red
Phenolsulfonphthalein
ME291207
-
-
16.91
353.049
S-adenosyl-L-methioninamine
-
ME291227
-
-
1
354.148
4-phosphopantetheine
Pantetheine 4'-phosphate
ME291065
-
-
13.3
357.089
GMP
GMP
ME291147
-
-
10.5
362.0507
xanthosine-5-phosphate
XMP
ME291258
-
-
12.7
363.0347
orotidine-5'-phosphate
Orotidylic acid
ME291199
-
-
13.58
367.018
Sedoheptoluse bisphosphate
-
ME291231
-
-
13.64
368.9993
PEE
Pro-Glu-Glu
ME291205
-
-
10.5
372.1412
riboflavin
Riboflavin
ME291221
-
-
12.56
375.131
DLH
Asp-Leu-His
ME291122
-
-
3.73
382.1732
S-adenosyl-L-homoCysteine
S-Adenosylhomocysteine
ME291226
-
-
6.86
383.1143
dCDP
dCDP
ME291107
-
-
13.58
386.016
5-phosphoribosyl-1-pyrophosphate
Phosphoribosyl pyrophosphate
ME291070
-
-
15.13
388.9445
S-adenosyl-L-methionine
S-Adenosylmethionine
ME291228
-
-
7
397.13
Octoluse Bisphosphate
-
ME291196
-
-
13.64
399.0099
dTDP
dTDP
ME291126
-
-
14.41
401.0157
CDP
CDP
ME291093
-
-
13.53
402.0109
UDP
UDP
ME291247
-
-
13.81
402.9949
trehalose-6-Phosphate
Trehalose 6-phosphate
ME291244
-
-
6.95
421.075
Thiamine pyrophosphate
Thiamine diphosphate
ME291240
-
-
9.56
423.03
adenosine 5'-phosphosulfate
Adenosine phosphosulfate
ME291080
-
-
13.58
426.013
dGDP/ADP
ADP
ME291114
-
-
14
426.022
IDP
IDP
ME291160
-
-
13.9
427.006
folate
Folic acid
ME291135
-
-
13.99
440.132
GDP
GDP
ME291139
-
-
13.9
442.017
CDP-ethanolamine
CDP-Ethanolamine
ME291095
-
-
6.38
445.0531
FMN
FMN
ME291134
-
-
14.54
455.0973
5-methyl-THF
5-Methyl-THF
ME291069
-
-
14.1
458.179
cholesteryl sulfate
Cholesterol sulfate
ME291097
-
-
17.25
465.304
dCTP
dCTP
ME291109
-
-
14.8
465.9823
dUTP
dUTP
ME291130
-
-
14.81
466.9663
PVNF
Pro-Val-Asn-Phe
ME291215
-
-
11.64
474.2358
dTTP
dTTP
ME291128
-
-
14.75
480.982
CTP
CTP
ME291102
-
-
14.75
481.9772
UTP
UTP
ME291253
-
-
14.81
482.9613
HVDD
-
ME291154
-
-
9.83
484.192
CDP-choline
CDP-choline
ME291094
-
-
6.53
487.1
dATP
dATP
ME291106
-
-
14.82
489.9936
PEEK
-
ME291206
-
-
3.38
500.2362
dGTP/ATP
ATP
ME291120
-
-
14.77
505.988
GTP
GTP
ME291148
-
-
14.92
521.9834
UDP-D-glucose
UDP-glucose
ME291248
-
-
13.44
565.0478
UDP-D-glucuronate
UDP-glucuronic acid
ME291249
-
-
14.68
579.027
ADP-D-glucose
ADP-glucose
ME291081
-
-
13.72
588.075
UDP-N-acetyl-glucosamine
UDP-N-acetylglucosamine
ME291250
-
-
13.37
606.0743
glutathione disulfide
Oxidized glutathione
ME291145
-
-
12.94
611.1447
NAD+
NAD
ME291186
-
-
8.62
662.1019
NADH
NADH
ME291187
-
-
14.14
664.1175
NADP+
NADP
ME291188
-
-
13.87
742.0682
NADPH
NADPH
ME291189
-
-
14.87
744.0838
FAD
FAD
ME291132
-
-
15
784.1499
acetyl-CoA
Acetyl-CoA
ME291073
-
-
16.18
808.1184
succinyl-CoA/methylmalonyl-CoA
-
ME291237
-
-
16.93
866.124
pyruvate
Pyruvic acid
ME291219
-
-
8.67
87.0088
Benzoyl-CoA
-
ME291089
-
-
17.78
870.134
alanine/sarcosine
Alanine/Sarcosine
ME291083
-
-
1
88.0404
lactate
Lactic acid
ME291170
-
-
7.28
89.0244
Myristoyl/tetradecanoyl-CoA
Myristoyl-CoA
ME291179
-
-
21.8
976.306
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel