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 ST002814 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
choline
Choline
ME746239
305
-
9.24
104.107
serine
Serine
ME746266
5951
-
8.08
106.05
creatinine
Creatinine
ME746242
588
-
3.88
114.066
proline
Proline
ME746261
614
-
5.99
116.071
betaine
Betaine
ME746235
247
-
4.88
118.086
valine
Valine
ME746268
6287
-
5.67
118.086
threonine
Threonine
ME746267
6288
-
7.04
120.066
nicotinamide
Niacinamide
ME746256
936
-
2.6
123.055
creatine
Creatine
ME746241
586
-
7.36
132.077
leucine / isoleucine
Leucine/Isoleucine
ME746249
6106
-
4.71
132.102
asparagine
Asparagine
ME746233
6267
-
7.78
133.061
ornithine
Ornithine
ME746258
6262
-
11.1
133.097
aspartate-pos
-
ME746234
5960
-
8.42
134.0448
1-methylnicotinamide
1-Methyl nicotinamide
ME746225
457
-
3.87
137.072
gamma-butyrobetaine
3-Dehydroxycarnitine
ME746244
725
-
6.36
146.118
lysine
Lysine
ME746250
5962
-
12.13
147.113
methionine
Methionine
ME746252
6137
-
5.25
150.058
carnitine
Carnitine
ME746237
288
-
6.3
162.112
methioninesulfoxide
Methionine sulfoxide
ME746253
158980
-
6.46
166.053
phenylalanine
Phenylalanine
ME746259
6140
-
4.14
166.086
arginine
Arginine
ME746232
6322
-
12.59
175.119
citrulline
Citrulline
ME746240
9750
-
8.34
176.103
phosphocholine
Choline phosphate
ME746260
1014
-
8.18
184.074
N-trimethyllysine
N-6-Trimethyllysine
ME746257
440121
-
10.66
189.16
kynurenic acid
Kynurenic acid
ME746247
3845
-
2.36
190.05
caffeine
Caffeine
ME746236
2519
-
2
195.088
acetyl-carnitine
CAR 2:0
ME746228
7045767
-
4.67
204.123
3-hydroxy-trimethyllysine
-
ME746226
439460
-
9.39
205.155
kynurenine
Kynurenine
ME746248
846
-
4.62
209.092
propionyl-carnitine
CAR 3:0
ME746262
107738
-
3.83
218.139
cystathionine
Cystathionine
ME746243
834
-
9.19
223.075
melatonin
Melatonin
ME746251
896
-
1.82
233.128
glycerophosphocholine
sn-Glycero-3-phosphocholine
ME746245
657272
-
7.2
258.11
adenosine
Adenosine
ME746229
60961
-
3.46
268.104
AIR
AIR
ME746230
161500
-
7.2
296.064
5'-methylthioadenosine
5'-Methylthioadenosine
ME746227
439176
-
2.33
298.097
riboflavin
Riboflavin
ME746263
493570
-
3.19
377.146
S-adenosyl-methionine
S-Adenosylmethionine
ME746264
34756
-
8.23
399.145
CDP-choline
CDP-choline
ME746238
13804
-
8.42
489.115
NAD+
NAD
ME746254
5892
-
7.68
664.116
NADP+
NADP
ME746255
5886
-
9.93
744.083
glycine
Glycine
ME746246
750
-
8.08
76.039
alanine
Alanine
ME746231
5950
-
7.36
90.055
sarcosine
Sarcosine
ME746265
1088
-
7.94
90.055
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
hypotaurine
Hypotaurine
ME746321
107812
-
7.59
108.012
fumarate
Fumaric acid
ME746305
444972
-
9.36
115.004
succinate
Succinic acid
ME746353
1110
-
8.79
117.019
picolinic acid
Picolinic acid
ME746342
1018
-
3.96
122.025
taurine
Taurine
ME746354
1123
-
7.59
124.007
aspartate-neg
-
ME746280
5960
-
8.42
132.03
malate
Malic acid
ME746326
525
-
9.36
133.014
anthranilic acid
2-Aminobenzoic acid
ME746276
227
-
3.33
136.04
phosphorylethanolamine
Phosphoethanolamine
ME746340
1015
-
8.97
140.012
alpha-ketoglutarate
2-Oxoglutaric acid
ME746274
51
-
9.06
145.014
glutamine
Glutamine
ME746311
5961
-
7.65
145.062
glutamate
Glutamic acid
ME746310
33032
-
8.16
146.046
hydroxyglutarate
2-Hydroxyglutaric acid
ME746320
43
-
8.85
147.03
trifluoromethanesulfonate
-
ME746355
2758875
-
1.84
148.953
xylulose
Xylulose
ME746366
5289590
-
5.11
149.046
histidine
Histidine
ME746319
6274
-
7.21
154.062
orotate
Orotic acid
ME746333
1492348
-
5.43
155.01
dihydroorotate
4,5-Dihydroorotic acid
ME746296
5461056
-
5.7
157.025
xylonic acid
Xylonic acid
ME746365
6602431
-
7.13
165.04
quinolinic acid
Quinolinic acid
ME746344
1066
-
4.18
166.015
phosphoenolpyruvate
Phosphoenolpyruvic acid
ME746337
1005
-
10.52
166.975
uric acid
Uric acid
ME746362
1175
-
6.75
167.021
dihydroxyacetone-phosphate
Dihydroxyacetone phosphate
ME746297
668
-
8.9
168.991
glyceraldehyde-3-phosphate
Glyceraldehyde 3-phosphate
ME746312
729
-
9.42
168.991
glycerol-3-phosphate
sn-Glycero-3-phosphate
ME746313
754
-
8.58
171.006
cis-aconitate
cis-Aconitic acid
ME746286
643757
-
10.8
173.009
ascorbate
Vitamin C
ME746279
54670067
-
7.62
175.025
carbamoyl-aspartate
Carbamoylaspartate
ME746283
279
-
9.91
175.036
fructose
Fructose
ME746301
2723872
-
6.48
179.056
glucose
Glucose
ME746308
5793
-
7.33
179.056
tyrosine
Tyrosine
ME746357
6057
-
6.17
180.067
sorbitol
Sorbitol
ME746351
5780
-
6.7
181.072
phosphoserine
Phosphoserine
ME746341
68841
-
9.64
184.002
phosphoglycerate
Phosphoglyceric acid
ME746338
439183
-
10.12
184.986
N-acetylglutamate
N-Acetylglutamic acid
ME746329
70914
-
8.01
188.056
citrate / isocitrate
Citric acid/Isocitric acid
ME746287
311
-
11.02
191.02
lauric acid
Lauric acid
ME746325
3893
-
1.61
199.17
tryptophan
Tryptophan
ME746356
6305
-
5.33
203.083
phosphocreatine
Phosphocreatine
ME746336
9548602
-
8.74
210.029
myristic acid
Myristic acid
ME746327
11005
-
1.61
227.202
phosphoribosylamine
Phosphoribosylamine
ME746339
150
-
9.16
228.028
rib/ribul/xylul-ose-phosphate
-
ME746345
439190
-
9.16
229.012
S-(2-Succinyl)-L-cysteine
-
ME746347
-
-
10.4
236.023
cystine
Cystine
ME746291
595
-
8.74
239.017
cytidine
Cytidine
ME746292
6175
-
5.46
242.078
palmitic acid
Palmitic acid
ME746334
985
-
1.57
255.233
AICAR
AICAR
ME746273
90471726
-
12.67
257.089
fructose-1-phosphate
Fructose 1-phosphate
ME746303
65246
-
8.68
259.022
fructose-6-phosphate
Fructose 6-phosphate
ME746304
69507
-
9.24
259.022
glucose-6-phosphate
Glucose 6-phosphate
ME746309
5958
-
9.94
259.022
inosine
Inosine
ME746323
135398641
-
5
267.073
6-phosphogluconic acid
6-Phosphogluconic acid
ME746269
91493
-
10.75
275.017
saccharopine
Saccharopine
ME746348
160556
-
8.95
275.125
oleic acid
Oleic acid
ME746332
445639
-
1.52
281.249
guanosine
Guanosine
ME746318
135398635
-
6.07
282.084
stearic acid
Stearic acid
ME746352
5281
-
1.57
283.264
GAR
GAR
ME746306
160913
-
6.92
285.049
sedoheptulose-7-phosphate
Sedoheptulose 7-phosphate
ME746350
22833559
-
9.53
289.033
argininosuccinate
Argininosuccinic acid
ME746278
439998
-
9.69
289.115
N-acetylglucosamine-phosphate
N-Acetyl-glucosamine 6-phosphate
ME746328
439219
-
8.42
300.049
GSH
Glutathione
ME746315
124886
-
7.96
306.077
arachidic acid
Arachidic acid
ME746277
10467
-
1.52
311.296
FGAR
FGAR
ME746300
130805
-
8.74
313.044
dTMP
dTMP
ME746298
9700
-
6.98
321.049
CMP
CMP
ME746288
6131
-
9.21
322.045
UMP
UMP
ME746361
6030
-
8.69
323.029
dAMP
dAMP
ME746293
12599
-
6.83
331.068
CAIR
CAIR
ME746282
165388
-
4.33
338.039
fructose-1;6-bisphosphate
-
ME746302
10267
-
11.12
338.989
AMP
AMP
ME746275
6083
-
7.65
346.056
IMP
IMP
ME746322
135398640
-
9.06
347.04
GMP
GMP
ME746314
135398631
-
9.85
362.051
XMP
XMP
ME746364
10287649
-
10.96
363.035
S-adenosyl-homocysteine
S-Adenosylhomocysteine
ME746349
439155
-
6.54
383.114
CDP
CDP
ME746284
6132
-
10.17
402.011
UDP
UDP
ME746358
6031
-
9.74
402.995
S-(1;2-Dicarboxyethyl)glutathione
-
ME746346
329770102
-
11.41
422.087
ADP
ADP
ME746272
6022
-
8.79
426.022
GDP
GDP
ME746307
135398619
-
10.85
442.017
CDP-ethanolamine
CDP-Ethanolamine
ME746285
123727
-
9.36
445.053
adenylosuccinic acid
Adenylsuccinic acid
ME746271
447145
-
11.23
462.067
dCTP
dCTP
ME746295
65091
-
10.36
465.982
dTTP
dTTP
ME746299
64968
-
9.36
480.982
CTP
CTP
ME746290
6176
-
11.12
481.977
UTP
UTP
ME746363
6133
-
10.8
482.961
dATP
dATP
ME746294
15993
-
9.05
489.994
ATP
ATP
ME746281
5957
-
9.74
505.988
GTP
GTP
ME746317
135398633
-
11.82
521.983
UDP-glucuronic acid
UDP-glucuronic acid
ME746359
17473
-
11.7
579.027
UDP-N-acetylglucosamine
UDP-N-acetylglucosamine
ME746360
445675
-
8.79
606.074
GSSG
Oxidized glutathione
ME746316
65359
-
10.46
611.145
NADH
NADH
ME746330
439153
-
7.44
664.118
NADPH
NADPH
ME746331
5884
-
10.29
744.084
CoA
Coenzyme A
ME746289
87642
-
7.76
766.108
acetyl-CoA
Acetyl-CoA
ME746270
444493
-
6.75
808.119
pyruvate
Pyruvic acid
ME746343
1060
-
3.64
87.009
lactate
Lactic acid
ME746324
612
-
4.37
89.024
phosphate
Phosphoric acid
ME746335
1004
-
6.97
96.97
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel