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 ST002936 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
carnitine
-
ME761153
-
-
6.58
103
phenylalanine
-
ME761155
-
-
4.6
103
glycerophosphocholine
-
ME761183
-
-
-
104
0-acetyl-Lserine
-
ME761147
-
-
4.73
106
6C-phenylalanine
-
ME761286
-
-
4.6
109
aminoimidazole carboxamide ribonucltide
-
ME761203
-
-
-
11
acadesine
-
ME761184
-
-
-
110
guanine
-
ME761150
-
-
6.03
110
thymine
-
ME761132
-
-
2.86
110
histidine
-
ME761151
-
-
7.66
110.1
CMP
-
ME761199
-
-
9.39
112
cytidine
-
ME761180
-
-
5.98
112
dCMP
dCMP
ME761196
-
-
8.49
112
spermine
-
ME761233
-
-
-
112.1
N-Acetylputrescine
N-Acetylputrescine
ME761134
-
-
11.2
114
N-acetyl-ornithine
-
ME761159
-
-
8.33
115.1
adenine
-
ME761140
-
-
3.89
119
methylcysteine
-
ME761141
-
-
5.44
119.02
flavone
-
ME761176
-
-
-
121
thiamine
-
ME761187
-
-
11.28
122
thiamine-phosphate
-
ME761204
-
-
7.51
122
Nicotinamide ribotide
Nicotinamide ribotide
ME761202
-
-
-
123
1-methyl-histidimine
-
ME761158
-
-
6.1
124
phosphorylcholine
-
ME761165
-
-
8.19
125
D-glucosamine-6-phosphate
-
ME761185
-
-
9.99
126
N-acetyl-glutamine
-
ME761169
-
-
4.96
130
methionine
-
ME761149
-
-
5.51
133
cystathionine
-
ME761177
-
-
9.74
134
pyridoxamine
-
ME761156
-
-
-
134
pyridoxine
-
ME761157
-
-
3.2
134
dGMP
-
ME761205
-
-
9.21
135
guanosine
-
ME761192
-
-
6.63
135
3H-methionine
-
ME761285
-
-
5.51
136
AMP
-
ME761206
-
-
7.81
136
dAMP
-
ME761201
-
-
6.93
136
dexyadenosine
-
ME761182
-
-
3.41
136
NADP+_pos
-
ME761222
-
-
10.26
136
S-adenosyl-L-homoCysteine_pos
-
ME761212
-
-
7
136
Smethyl-5-thioadenosine
-
ME761194
-
-
2.55
136
adenosine
-
ME761190
-
-
4.03
136.1
N-acetyl-glucosamine
-
ME761175
-
-
4.8
138
kynurenine
-
ME761174
-
-
5.2
146
1-methyladenosine
-
ME761191
-
-
-
150
deoxyguanosine
-
ME761189
-
-
5.38
152
GMP
-
ME761209
-
-
-
152
citrulline
-
ME761161
-
-
8.68
159
2H-citrulline
-
ME761288
-
-
8.68
161
glucosamine
-
ME761163
-
-
7.53
162
D-glucosamine-1-phosphate
-
ME761186
-
-
-
162.1
glutathine
-
ME761197
-
-
8.11
163
7-methylguanosine
-
ME761195
-
-
6.71
166
5-methoxytryptophan
-
ME761178
-
-
5.02
176
7_8-dihydrofolate
-
ME761215
-
-
-
178
biotin
-
ME761181
-
-
4
227
glutathione disulfide_pos
-
ME761218
-
-
10.66
231
riboflavin
-
ME761211
-
-
3.25
243
S-adenosyl-L-methioninamine
-
ME761208
-
-
-
250
S-adenosyl-L-methionine
-
ME761213
-
-
9.03
250
coenzyme A_pos
-
ME761224
-
-
8.15
261
folate
-
ME761214
-
-
10.54
295
acetyl-CoA_pos
-
ME761226
-
-
7.21
303
glycine
-
ME761112
-
-
8.51
30.5
5-METHYL-THF
-
ME761216
-
-
-
313.1
1C-1N-glycine
-
ME761278
-
-
8.51
31.5
propionyl-CoA_pos
-
ME761227
-
-
-
317.1
acetoacetyl-CoA_pos
-
ME761228
-
-
-
345
malonyl-CoA_pos
-
ME761229
-
-
-
347
dephospho-CoA_POS
-
ME761221
-
-
-
348
FAD
FAD
ME761225
-
-
5.99
348
diiodothyronine
-
ME761217
-
-
-
352.8
succinyl-CoA_pos
-
ME761230
-
-
-
361
imidazole
-
ME761111
-
-
3.2
42.24
NAD+_POS
-
ME761219
-
-
7.7
428
sarcosine
-
ME761234
-
-
7.21
44.1
alanine
-
ME761113
-
-
7.8
44.2
creatinine
-
ME761120
-
-
4.35
44.2
ethanolamine-1
Ethanolamine
ME761110
-
-
12.27
44.2
homoserine
-
ME761126
-
-
8.06
44.2
urea
-
ME761109
-
-
5.1
44.2
4H-alanine
-
ME761279
-
-
7.8
48.2
NADH
NADH
ME761220
-
-
7.14
514
2-aminooctanoic acid
-
ME761152
-
-
-
55.3
Methionine-sulfone
-
ME761295
-
-
5.1
56
betaine
-
ME761123
-
-
5.01
58
betaine aldehyde
Betaine aldehyde
ME761114
-
-
-
58
dimethylglycine
-
ME761117
-
-
5.7
58
valine
-
ME761124
-
-
6.03
58
cysteine
-
ME761128
-
-
9.06
59.1
1C-4H-arginine
-
ME761287
-
-
14.32
60
arginine
-
ME761160
-
-
14.32
60
choline
-
ME761115
-
-
11.17
60
serine
-
ME761118
-
-
8.58
60
8H-valine
-
ME761280
-
-
6.03
62.2
lysine
-
ME761145
-
-
13.82
67
hydroxyproline
-
ME761135
-
-
7.65
68.2
4-aminobutyrate
-
ME761116
-
-
8.28
69
L-arginino-succinate
-
ME761193
-
-
-
70
Ng_Ng-dimethyl-Larginine
-
ME761171
-
-
11.87
70
ornithine
-
ME761137
-
-
12.68
70
proline
-
ME761121
-
-
6.36
70.1
2H-ornithine
-
ME761282
-
-
12.68
72
putrescine
-
ME761231
-
-
-
72
spermidine
-
ME761232
-
-
-
72
NADPH
NADPH
ME761223
-
-
10.26
729
asparagine
-
ME761138
-
-
8.18
74
aspartate
-
ME761139
-
-
8.57
74
cystine
-
ME761179
-
-
8.77
74
methionine sulfoxde
-
ME761154
-
-
6.71
74
N-CARBAMOYL-L-ASPARTATE
-
ME761162
-
-
-
74
threonine
-
ME761125
-
-
7.43
74
3H-aspartate
-
ME761283
-
-
8.57
76
tyrosine
-
ME761164
-
-
6.66
77
NICOTINAMIDE
-
ME761130
-
-
2.76
80
dTMP
-
ME761198
-
-
-
81
IMIDAZOLECETIC ACID
-
ME761131
-
-
5.63
81
6C-tyrosine
-
ME761289
-
-
6.66
83
acetyl lysine
-
ME761168
-
-
-
84
DL-pipecolic acid
-
ME761133
-
-
5.94
84
glutamate
-
ME761148
-
-
8.15
84.1
glutamine
-
ME761146
-
-
8.01
84.1
N-acetyl-glutamate
-
ME761170
-
-
8.07
84.1
N6-acetyl-L-lysine
-
ME761167
-
-
7.84
84.2
acetylcarnitine
-
ME761172
-
-
4.82
85
tryptophan
-
ME761173
-
-
5.58
85
leucine-isoleucine
Leucine/Isoleucine
ME761136
-
-
5.01
86
3H-glutamate
-
ME761284
-
-
8.15
87.1
3-phospho-sersine
-
ME761166
-
-
10.17
88
S-ribosyl-L-homocysteine_pos
-
ME761188
-
-
-
88
3H-leucine
-
ME761281
-
-
5.01
89
creatine
-
ME761129
-
-
7.65
90
homocysteine
-
ME761142
-
-
8.97
90.1
indole
-
ME761122
-
-
-
91
methylnicotinamide
Methyl nicotinamide
ME761143
-
-
13.61
94
purine
-
ME761127
-
-
3.2
94
cytosine
-
ME761119
-
-
5.41
95
histidinol
-
ME761144
-
-
11.12
95
UMP
-
ME761200
-
-
8.82
97
xanthosine-5-phoshate
-
ME761210
-
-
-
97
3-methyl-l-histidine1
-
ME761243
-
-
-
-
3-methyl-l-histidine2
-
ME761244
-
-
-
-
3-methyl-l-histidine3
-
ME761245
-
-
-
-
4_CL_phen_ala_1
-
ME761239
-
-
-
-
4_CL_phen_ala_2
-
ME761240
-
-
-
-
agmatine_1
-
ME761236
-
-
-
-
aminoadipate_1
-
ME761293
-
-
-
-
aminoadipate_2
-
ME761294
-
-
-
-
aminoisobutanoate1
-
ME761249
-
-
-
-
aminoisobutanoate2
-
ME761250
-
-
-
-
ascorbate1
-
ME761254
-
-
-
-
ascorbate2
-
ME761255
-
-
-
-
carnosine1
-
ME761246
-
-
-
-
carnosine2
-
ME761247
-
-
-
-
carnosine3
-
ME761248
-
-
-
-
dcSAM
-
ME761235
-
-
-
-
deoxycytidine
-
ME761259
-
-
-
-
diaminopimelate2
-
ME761260
-
-
-
-
diethanolamine1
-
ME761241
-
-
-
-
diethanolamine2
-
ME761242
-
-
-
-
dihydrouracil_1
-
ME761267
-
-
-
-
ethanolamine-2
Ethanolamine
ME761290
-
-
-
-
ethanolamine-3
-
ME761291
-
-
-
-
ethanolamine-4
-
ME761292
-
-
-
-
formamide
-
ME761269
-
-
-
-
formtl_methionine
-
ME761237
-
-
-
-
formtl_methionine1
-
ME761238
-
-
-
-
gamma_aminobutyrat
-
ME761273
-
-
-
-
glucuronate1
-
ME761264
-
-
-
-
glycerol
-
ME761265
-
-
-
-
guanidinoacetate1
-
ME761252
-
-
-
-
guanidinoacetate2
-
ME761253
-
-
-
-
gulose1
Gulose
ME761251
-
-
-
-
IMP
-
ME761207
-
-
-
-
isoleucine1
-
ME761274
-
-
-
-
isoleucine2
-
ME761275
-
-
-
-
leucine1
-
ME761276
-
-
-
-
leucine2
-
ME761277
-
-
-
-
maleimide2
-
ME761262
-
-
-
-
malonate
-
ME761270
-
-
-
-
noradrenaline
-
ME761261
-
-
-
-
paraxanthine
-
ME761263
-
-
-
-
pyrazole1
-
ME761257
-
-
-
-
pyrazole2
-
ME761258
-
-
-
-
quinate-1
-
ME761256
-
-
-
-
quinate_1
-
ME761272
-
-
-
-
quinate-2
-
ME761271
-
-
-
-
succinate semialdehyd
-
ME761268
-
-
-
-
thiourea
-
ME761266
-
-
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
a-ketoglutarate
-
ME761324
-
-
9.28
101
Phenylpropiolic acid
-
ME761325
-
-
2.34
101
2-ketohaxanoic acid
-
ME761314
-
-
-
101.3
2-dehydro-D-gluconate
-
ME761364
-
-
-
103
Phenyllactic acid
-
ME761339
-
-
-
103.1
3-methylphenylacetic acid
-
ME761328
-
-
1.9
105
Hydroxyphenylacetic acid
-
ME761330
-
-
2.52
107
hydroxyphenylpyruvate
-
ME761355
-
-
3.27
107
xanthine
-
ME761329
-
-
5.8
108
2_3-dihydroxybenzoic acid
-
ME761331
-
-
3.53
109
citrate-isocitrate
-
ME761361
-
-
11.45
111
orotate
-
ME761332
-
-
5.02
111
dihydroorotate
-
ME761333
-
-
5.31
113
allantoin
-
ME761334
-
-
7.06
114
2-Isopropylmalic acid
-
ME761350
-
-
5.94
115
malate
Malic acid
ME761318
-
-
9.8
115
Aminoadipic acid
Aminoadipic acid
ME761335
-
-
8.39
116
Indole-3-carboxylic acid
-
ME761336
-
-
-
116
isocitrate
-
ME761362
-
-
-
117
Atrolactic acid
-
ME761338
-
-
-
119
quinolinate
-
ME761340
-
-
8.87
122
Taurodeoxycholic acid
-
ME761431
-
-
-
124
Uric acid
Uric acid
ME761342
-
-
6.82
124
thymidine
-
ME761375
-
-
2.83
125
2-hydroxygluterate
-
ME761457
-
-
8.94
128.7
D-gluconate
-
ME761365
-
-
7.66
129
glucono-D-lactone
-
ME761353
-
-
5.04
129
allantoate
-
ME761348
-
-
-
132
N-carbamoyl-L-aspartate_neg
-
ME761351
-
-
10.08
132
S-adenosyl-L-homocysteine_neg
-
ME761405
-
-
7
134
S-ribosyl-L-homocysteine_neg
-
ME761386
-
-
-
134
cyclic-AMP
-
ME761397
-
-
4.55
134.05
deoxyinosine
-
ME761377
-
-
4.54
135
inosine
-
ME761387
-
-
5.15
135
4-Pyridoxic acid
4-Pyridoxic acid
ME761357
-
-
2.2
138
Indoleacrylic acid
-
ME761359
-
-
2.95
142.03
glutathione_neg
-
ME761392
-
-
8.11
143
Kynurenic acid
Kynurenic acid
ME761360
-
-
5.01
144
pantothenate
-
ME761371
-
-
3.5
146
xanthosine
-
ME761389
-
-
6.28
151
Pyrophosphate
-
ME761352
-
-
-
158.6
ADP_neg
ADP
ME761417
-
-
10.34
159
ATP_neg
-
ME761432
-
-
11.56
159
dATP_neg
-
ME761430
-
-
11.17
159
dCDP_neg
-
ME761406
-
-
10.74
159
dCTP_neg
-
ME761424
-
-
-
159
dGDP_neg
-
ME761418
-
-
-
159
dGTP
-
ME761433
-
-
11.77
159
dTDP_neg
-
ME761410
-
-
-
159
dTTP_neg
-
ME761426
-
-
-
159
dUTP_neg
-
ME761425
-
-
11.36
159
GDP_neg
-
ME761420
-
-
12.06
159
IDP_neg
-
ME761419
-
-
11.56
159
UDP_neg
-
ME761412
-
-
10.24
159
UTP_neg
-
ME761428
-
-
12.6
159
Xanthurenic acid
-
ME761367
-
-
5.5
160
myo-inositol
-
ME761354
-
-
9.39
161
2_3-Diphosphoglyceric acid
-
ME761385
-
-
-
167.1
fructose-6-phosphate
-
ME761383
-
-
9.7
169
lipoate
-
ME761368
-
-
2.15
171
sucrose
-
ME761399
-
-
8.09
179
trehalose
-
ME761400
-
-
8.83
179
deoxyuridine
-
ME761373
-
-
3.21
184
dTMP_neg
-
ME761396
-
-
-
195
dUMP_neg
-
ME761393
-
-
7.6
195
glucose-6-phosphate
-
ME761382
-
-
10.25
199
uridine
-
ME761376
-
-
4.66
200
FMN
-
ME761422
-
-
-
213
glucose-1-phosphate
-
ME761381
-
-
9.6
241
Cellobiose
-
ME761401
-
-
8.61
263.1
CDP-ethanolamine
-
ME761421
-
-
9.49
273
5-phosphoribosyl-1-pyrophosphate
-
ME761407
-
-
-
291
Thiamine pyrophosphate
-
ME761415
-
-
8.33
302
glutathione disulfide_neg
-
ME761440
-
-
10.66
306
orotidine-5-phosphate
-
ME761402
-
-
-
323
UDP-D-glucose
-
ME761435
-
-
9.87
323
dephospho-CoA_neg
-
ME761443
-
-
-
339
cyclic bis(3->5) dimeric GMP
-
ME761444
-
-
10.78
344
Cholic acid
-
ME761413
-
-
-
345.2
Deoxycholic acid
-
ME761408
-
-
2.02
345.2
adenosine 5-phosphosulfate
-
ME761416
-
-
-
346
ADP-D-glucose
-
ME761437
-
-
8.74
346
CDP_neg
-
ME761411
-
-
10.82
384
CTP_neg
-
ME761427
-
-
-
384
UDP-N-acetyl-glucosamine
-
ME761439
-
-
8.95
385
UDP-D-glucuronate
-
ME761436
-
-
-
403
3-hydroxy-3-methylglutaryl-CoA_neg
-
ME761455
-
-
9.15
408
3-hydroxybutyryl-CoA
-
ME761453
-
-
-
408
acetyl-CoA_pos
-
ME761448
-
-
7.21
408
butyryl-CoA
-
ME761450
-
-
-
408
coenzyme A_neg
-
ME761447
-
-
8.15
408
NADH_neg
-
ME761442
-
-
7.14
408
NADPH_neg
-
ME761446
-
-
10.62
408
propionyl-CoA_neg
-
ME761449
-
-
-
408
uracil
-
ME761302
-
-
4.03
42.1
GTP_neg
-
ME761434
-
-
13.46
424
CDP-choline
CDP-choline
ME761429
-
-
-
428
pyruvate
-
ME761298
-
-
3.66
43
lactate
-
ME761299
-
-
3.9
43.2
glyoxylate
-
ME761296
-
-
4.16
45
glycolate
-
ME761297
-
-
2.7
45.2
3-S-methylthiopropionate
-
ME761309
-
-
-
47
guanosine 5-diphosphate_3-diphosphate
-
ME761438
-
-
-
504
NAD+_neg
-
ME761441
-
-
7.7
540
2-oxobutanoate/acetoacetate
-
ME761300
-
-
-
57.2
NADP+_neg
-
ME761445
-
-
10.64
620
fumarate
-
ME761303
-
-
9.7
71
Maleic acid
-
ME761304
-
-
4.52
71.03
2-keto-isovalerate
-
ME761305
-
-
-
71.05
succinate
-
ME761307
-
-
9.06
73
Methylmalonic acid
-
ME761308
-
-
8.1
73.1
Guanidoacetic acid
Guanidoacetic acid
ME761306
-
-
8.63
74.3
glycerate
-
ME761301
-
-
5.96
75
acetoacetyl-CoA_neg
-
ME761451
-
-
-
766.1
nicotinate
-
ME761310
-
-
3.3
78
1_3-diphopshateglycerate
-
ME761384
-
-
-
79
acetylphosphate
-
ME761322
-
-
-
79
Carbamoyl phosphate
-
ME761323
-
-
-
79
deoxyribose-phosphate
Deoxyribose 5-phosphate
ME761370
-
-
8.37
79
dihydroxy-acetone-phosphate
-
ME761343
-
-
8.98
79
Geranyl-PP
-
ME761394
-
-
-
79
hexose-phosphate
-
ME761380
-
-
-
79
N-acetyl-glucosamine-1-phosphate
-
ME761391
-
-
-
79
phosphoenolpyruvate
-
ME761341
-
-
11.14
79
ribose-phosphate
-
ME761374
-
-
9.46
79
sn-glycerol-3-phosphate
-
ME761345
-
-
8.36
79
trans_ trans-farnesyl diphosphate
-
ME761404
-
-
-
79
trehalose-6-Phosphate
-
ME761414
-
-
-
79
homocysteic acid
-
ME761356
-
-
9.6
80
taurine
-
ME761311
-
-
7.88
80
malonyl-CoA_neg
-
ME761452
-
-
-
808.2
Pyroglutamic acid
Pyroglutamic acid
ME761312
-
-
4.8
82.1
succinyl-CoA-methylmalonyl-CoA_neg
-
ME761454
-
-
-
822
aconitate
-
ME761347
-
-
11.12
85
D-glucarate
-
ME761369
-
-
-
85
2-Hydroxy-2-methylbutanedioic acid
-
ME761327
-
-
-
85.1
Citraconic acid
-
ME761313
-
-
4.45
85.1
Hydroxyisocaproic acid
Hydroxyisocaproic acid
ME761317
-
-
1.97
85.1
Ascorbic acid
-
ME761349
-
-
7.73
87
citrate
-
ME761363
-
-
-
87
oxaloacetate
-
ME761316
-
-
-
87
N-Acetyl-L-alanine
N-Acetylalanine
ME761315
-
-
3.34
88
phenylpyruvate
-
ME761337
-
-
1.87
91
prephenate
-
ME761372
-
-
-
91
anthranilate/p-aminobenzoate
-
ME761320
-
-
5.15
92
hypoxanthine
-
ME761319
-
-
4.9
92
p-hydroxybenzoate
-
ME761321
-
-
5.37
93
shikimate
-
ME761346
-
-
7.69
93
3-phosphoglycerate
-
ME761358
-
-
12.02
97
6-phospho-D-gluconate
-
ME761388
-
-
11.35
97
6-phospho-D-glucono-1_5-lactone
-
ME761379
-
-
-
97
cholesteryl sulfate
-
ME761423
-
-
-
97
D-erythrose-4-phosphate
-
ME761366
-
-
-
97
D-glyceraldehdye-3-phosphate
-
ME761344
-
-
9.6
97
D-sedoheptulose-1-7-phosphate
-
ME761390
-
-
9.81
97
fructose-1_6-bisphosphate
Fructose 1,6-bisphosphate
ME761398
-
-
-
97
octulose-1_8-bisphosphate
-
ME761409
-
-
-
97
octulose-monophosphate
-
ME761395
-
-
-
97
Sedoheptulose 1_7-bisphosphate
-
ME761403
-
-
-
97
shikimate-3-phosphate
-
ME761378
-
-
-
97
2-deoxyglucose-6-phosphate
-
ME761456
-
-
-
97.1
2-oxo-4-methylthiobutanoate
-
ME761326
-
-
-
99
2-phosphoglycerate
-
ME761458
-
-
-
-
2-phosphoglycerate_3
-
ME761468
-
-
-
-
3-dehydroshikimate
-
ME761463
-
-
-
-
3-dehydroshikimate(1)
-
ME761464
-
-
-
-
galactitol
-
ME761467
-
-
-
-
glucose
-
ME761469
-
-
-
-
glyceraldehyde
-
ME761465
-
-
-
-
glyceraldehyde(1)
-
ME761466
-
-
-
-
itaconic acid
-
ME761470
-
-
-
-
n-acetylneuraminate
-
ME761459
-
-
-
-
n-acetylneuraminate(1)
-
ME761460
-
-
-
-
tartrate
-
ME761461
-
-
-
-
tartrate(1)
-
ME761462
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel