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)
Training / Events
About
Overview
NIH Working Groups
Publishing Partners
How to Cite
How to Link
Terms of Use
Personnel
Contact
Sitemap
Search
Keyword Search
Advanced Searches
Return to study ST000065 main page
Analysis: GCMS positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,5-anhydroglucitol
1,5-Anhydrosorbitol
ME053441
64960
C07326
633969
217
1-monoolein
MG 18:1(9Z)/0:0/0:0
ME054000
5319879
0
952623
129
1-monopalmitin
MG 16:0/0:0/0:0
ME053442
3084463
C01885
901749
129
1-monostearin
MG 18:0/0:0/0:0
ME017750
24699
D01947
959214
129
2,3-dihydroxybutanoic acid NIST
-
ME054031
13120901
0
384796
292
2-deoxytetronic acid NIST
-
ME053440
192742
-
390517
117
2-hydroxybutanoic acid
2-Hydroxybutyric acid
ME054058
11266
C05984
258161
131
2-hydroxyglutaric acid
2-Hydroxyglutaric acid
ME053438
43
C02630
506306
247
2-hydroxyvaleric acid
2-Hydroxyvaleric acid
ME053437
98009
-
309587
131
2-ketoisocaproic acid
Ketoleucine
ME053919
70
C00233
310761
89
3-(3-hydroxyphenyl)propionic acid
3-(3-Hydroxyphenyl)propanoic acid
ME054079
91
C11457
583925
192
3,6-anhydro-D-galactose
3,6-Anhydro-galactose
ME054056
16069996
C06474
590619
231
3,6-anhydro-D-glucose
3,6-Anhydro-glucose
ME054055
16069993
C06478
587617
231
3-aminoisobutyric acid
3-Amino-isobutanoic acid
ME054027
64956
C05145
309837
102
3-hydroxybutyric acid
3-Hydroxybutyric acid
ME053434
441
C01089
278829
191
5-hydroxynorvaline NIST
-
ME054078
95562
0
494077
142
5-methoxytryptamine
5-Methoxytryptamine
ME053431
1833
C05659
864466
174
aconitic acid
cis-Aconitic acid
ME053429
643757
C00417
586815
229
adenosine
Adenosine
ME017220
60961
C00212
918039
236
alanine
Alanine
ME017218
5950
C00041
243971
116
alpha-ketoglutarate
Oxoglutaric acid
ME053424
51
C00026
507392
198
aminomalonate
Aminomalonic acid
ME053423
100714
C00872
455754
218
arachidonic acid
Arachidonic acid
ME017215
444899
C00219
834339
91
asparagine
Asparagine
ME053421
6267
C00152
553078
188
aspartic acid
Aspartic acid
ME053420
5960
C00049
480387
232
behenic acid
Behenic acid
ME053418
8215
C08281
920648
117
benzoic acid
Benzoic acid
ME053995
243
C00180
339214
179
beta-alanine
beta-Alanine
ME053417
239
C00099
435564
248
butane-2,3-diol NIST
-
ME054023
262
C03046
205778
117
capric acid
Capric acid
ME053903
2969
C01571
452386
229
caprylic acid
Caprylic acid
ME053415
379
C06423
343457
201
cholesterol
Cholesterol
ME053901
5997
C00187
1078536
329
citric acid
Citric acid
ME053412
311
C00158
617342
273
citrulline
Citrulline
ME053899
9750
C00327
621404
157
conduritol-beta-epoxide
Conduritol epoxide
ME053994
9989541
0
675635
318
creatinine
Creatinine
ME053898
588
C00791
502599
115
cysteine
Cysteine
ME053410
594
C00097
500158
220
cysteine-glycine
Cys-Gly
ME053409
439498
C01419
715335
220
cystine
Cystine
ME017210
595
C01420
804619
218
dehydroabietic acid
Dehydroabietic acid
ME053960
15618
C12078
850374
239
dodecanol
Dodecanol
ME017207
8193
C02277
507619
243
epsilon-caprolactam
Epsilon-caprolactam
ME053958
7768
C06593
353069
170
erythritol
Erythritol
ME017205
222285
C00503
471922
217
ethanolamine
Ethanolamine
ME017204
700
C00189
344719
174
fructose
Fructose
ME053891
5984
C02336
641863
307
fucose 1
Fucose
ME053404
439650
C02095
578299
160
fumaric acid
Fumaric acid
ME053403
444972
C00122
390775
245
galactonic acid
Galactonic acid
ME054045
128869
C00880
690882
292
glucoheptulose
Glucoheptulose
ME053402
102926
C02076
828606
217
gluconic acid
Gluconic acid
ME053401
10690
C00800
693148
333
glucose
Glucose
ME053884
5793
C00221
659798
319
glutamic acid
Glutamic acid
ME053881
33032
C00025
529100
246
glutamine
Glutamine
ME053399
5961
C00064
600315
156
glyceric acid
Glyceric acid
ME053879
439194
C00258
377495
189
glycerol
Glycerol
ME053878
753
C00116
344466
205
glycerol-3-galactoside
Galactosylglycerol
ME053877
16048618
C05401
805227
204
glycerol-alpha-phosphate
sn-Glycero-3-phosphate
ME053876
754
C03189
590747
357
glycine
Glycine
ME053397
750
C00037
368707
248
glycolic acid
Glycolic acid
ME017198
757
C00160
227636
177
heptadecanoic acid
Margaric acid
ME017196
10465
-
751309
117
hexitol
Sorbitol
ME053873
453
C00392
704741
217
hexuronic acid
Hexuronic acid
ME053396
152867
-
667373
160
histidine
Histidine
ME053871
6274
C00135
663790
154
hydroxylamine
Hydroxylamine
ME054076
787
C00192
255241
146
hypoxanthine
Hypoxanthine
ME053868
790
C00262
619128
265
indole-3-acetate
Indoleacetic acid
ME053867
802
C00954
684929
202
indole-3-lactate
Indolelactic acid
ME053393
92904
C02043
764586
202
inosine
Inosine
ME053948
6021
C00294
897184
230
isocitric acid
Isocitric acid
ME053947
1198
C00451
616323
245
isoheptadecanoic acid NIST
-
ME053391
164860
-
737927
117
isoleucine
Isoleucine
ME017193
6306
C00407
359251
158
isothreonic acid 1
PGF2alpha
ME053390
5280363
C00639
489385
292
lactamide
Lactamide
ME053389
94220
-
265698
232
lactic acid
Lactic acid
ME017192
107689
C01432
217657
191
lactulose
Lactulose
ME053857
3278275
C07064
929908
204
lauric acid
Lauric acid
ME053388
3893
C02679
547906
117
leucine
Leucine
ME053856
6106
C00123
346101
158
levoglucosan
Glucosan
ME053855
2724705
0
569637
204
linoleic acid
Linoleic acid
ME017189
5280450
C01595
777414
150
linolenic acid
alpha-Linolenic acid
ME054075
5280934
C06427
780376
108
lysine
Lysine
ME053387
5962
C00047
663483
156
lyxitol
L-Arabitol
ME053386
439255
C00532
573587
217
maleimide
Maleimide
ME053852
10935
C07272
245118
154
malic acid
Malic acid
ME017188
222656
C00711
463180
233
maltose 1
Maltose
ME017187
439186
C00208
946601
204
maltotriose
Maltotriose
ME054074
439586
C01835
1176972
361
mannitol
Mannitol
ME017186
6251
C00392
663215
319
mannose
Mannose
ME053944
18950
C00159
645856
205
melibiose
Melibiose
ME054073
440658
C05402
988497
361
methionine
Methionine
ME053382
6137
C00073
483560
176
methionine sulfoxide
Methionine sulfoxide
ME053381
847
C02989
637588
128
myo-inositol
Myo-inositol
ME053380
892
C00137
730022
305
myristic acid
Myristic acid
ME017182
11005
C06424
634414
117
n-acetyl-d-hexosamine
N-Acetylhexosamine
ME054038
24139
C03878
746341
319
n-acetylglutamate
N-Acetylglutamic acid
ME053379
70914
C00624
477776
158
N-acetylglycine NIST
-
ME054015
10972
0
356109
174
N-methylalanine
N-Methylalanine
ME054072
5288725
C02721
288133
130
oleamide NIST
-
ME054071
5283387
C19670
849710
144
oleic acid
Oleic acid
ME053893
445639
C00712
779120
339
ornithine 4tms
Ornithine
ME017179
6262
C00077
619548
142
oxalic acid
Oxalic acid
ME053374
971
C00209
260513
190
oxoproline
Pyroglutamic acid
ME053838
7405
C01879
485935
156
palmitic acid
Palmitic acid
ME053373
985
C00249
713809
313
palmitoleic acid
Palmitoleic acid
ME017177
445638
C08362
706508
117
p-cresol
P-Cresol
ME053833
2879
C01468
280360
165
pelargonic acid
Pelargonic acid
ME017175
8158
C01601
399229
117
phenol
Phenol
ME054070
996
C00146
218927
151
phenylacetic acid
Phenylacetic acid
ME053371
999
C07086
368081
164
phenylalanine
Phenylalanine
ME053370
6140
C00079
537804
218
phenylethylamine
Phenylethylamine
ME053369
1001
C05332
510327
174
phosphate
Phosphoric acid
ME053829
1004
C00009
345365
314
pipecolinic acid
Pipecolic acid
ME017174
849
C00408
404121
156
piperidone
2-Piperidinone
ME054010
12665
0
275603
156
proline
Proline
ME053367
145742
C00148
364716
142
pseudo uridine
Pseudouridine
ME053981
15047
C02067
813899
217
pyruvic acid
Pyruvic acid
ME054068
1060
C00022
211003
174
ribonic acid
Ribonic acid
ME054008
5460677
C01685
599680
292
ribose
Ribose
ME053363
5779
C00121
553135
217
serine
Serine
ME017170
5951
C00065
395020
218
sorbitol
Sorbitol
ME053360
453
C00794
667922
217
stearic acid
Stearic acid
ME053816
5281
C01530
787622
117
succinic acid
Succinic acid
ME053358
1110
C00042
370608
247
sucrose
Sucrose
ME053357
5988
C00089
915139
271
tagatose
Fructose
ME054067
1101
C00795
627414
307
taurine
Taurine
ME053356
1123
C00245
556690
326
threitol
Threitol
ME053355
169019
C16884
467595
217
threonic acid
D-Threonic acid
ME053354
151152
C01620
497572
292
threonine
Threonine
ME053353
6288
C00188
409568
218
tocopherol alpha-
Retinal
ME017217
638015
C00376
1067809
237
tocopherol gamma-
gamma-Tocopherol
ME053926
92729
C02483
1026121
223
trans-4-hydroxyproline
trans-4-Hydroxyproline
ME053351
11137200
C01157
484934
140
tryptophan
Tryptophan
ME053350
6305
C00078
780482
202
tyrosine
Tyrosine
ME017165
6057
C00082
671252
218
UDP-glucuronic acid
UDP-glucuronic acid
ME053808
17473
C00167
587601
217
uracil
Uracil
ME053349
1174
C00106
385816
241
urea
Urea
ME053925
1176
C00086
328888
189
uric acid
Uric acid
ME053347
1175
C00366
730691
441
uridine
Uridine
ME017162
6029
C00299
856709
224
valine
Valine
ME053804
6287
C00183
313502
144
xanthine
Xanthine
ME017159
1188
C00385
701688
353
xylitol
Xylitol
ME053346
6912
C00379
567437
217
xylose
Xylose
ME017158
135191
C00181
543267
103
xylulose NIST
L-Xylulose
ME053801
5289590
C00312
553450
173
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel