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 ST000289 main page
Analysis: ESI Positive mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME103842
119
C00334
0.78
104.071
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME103884
185
-
2.2
190.0709
ADENINE
Adenine
ME103847
190
C00147
1.5
136.0618
ALLANTOIN
Allantoin
ME103853
204
C01551
0.79
159.0516
HEXOSE-6-PHOSPHATE
Hexose 6-phosphate
ME103869
208
C02965
0.78
261.0374
BETAINE
Betaine
ME103856
247
C00719
0.86
118.0866
CITRATE
Citric acid
ME103858
311
C00158
1.93
215.0167
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME103843
500
C01035
1.62
146.0925
1-AMINOCYCLOPROPANE-1-CARBOXYLATE
1-Aminocyclopropanecarboxylic acid
ME103841
535
C01234
0.72
102.0554
CREATINE
Creatine
ME103860
586
C00300
0.99
132.0773
CYTOSINE
Cytosine
ME103862
597
C00380
0.81
112.0509
DEOXYCARNITINE
3-Dehydroxycarnitine
ME103864
725
C05543
1.35
146.1175
HYPOXANTHINE
Hypoxanthine
ME103871
790
C00262
2.05
137.0459
Pantothenic Acid
Pantothenic acid
ME103891
988
C00864
6.62
220.1179
PHENETHYLAMINE
Phenylethylamine
ME103892
1001
C05332
6.86
122.0967
PICOLINIC ACID
Picolinic acid
ME103896
1018
C10164
1.37
124.0398
SUCCINATE
Succinic acid
ME103900
1110
C00042
2.29
141.016
URACIL
Uracil
ME103907
1174
C00106
1.37
113.0348
URATE
Uric acid
ME103908
1175
C00366
1.86
169.0359
ASPARTATE
Aspartic acid
ME103855
5960
C00049
0.7
134.0449
L-GLUTAMINE
Glutamine
ME103874
5961
C00064
0.72
147.0764
URIDINE
Uridine
ME103909
6029
C00299
2.84
267.0587
URIDINE-5-MONOPHOSPHATE
UMP
ME103910
6030
C00105
1.25
325.0427
L-TYROSINE
Tyrosine
ME103879
6057
C00082
3.36
182.0815
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME103849
6083
C00020
1.67
348.0704
LEUCINE
Leucine
ME103873
6106
C00123
2.48
132.1022
L-METHIONINE
Methionine
ME103877
6137
C00073
1.41
150.0587
Phenylalanine
Phenylalanine
ME103893
6140
C00079
6.2
166.0864
Tryptophan
Tryptophan
ME103903
6305
C00078
7.64
205.0971
Tryptophan-NH3
Tryptophan
ME103906
6305
C00078
7.64
188.071
L-Isoleucine
Isoleucine
ME103875
6306
C00407
2.18
132.1023
QUINATE
Quinic acid
ME103898
6508
C00296
0.82
193.0713
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME103868
6804
C00144
1.96
364.0646
CITRULLINE
Citrulline
ME103859
9750
C00327
0.76
176.1035
NICOTINAMIDE MONONUCLEOTIDE
Nicotinamide ribotide
ME103889
14180
C00455
1.13
335.0637
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME103840
17520
-
9.95
152.0166
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME103890
22880
C12269
0.75
148.0608
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME103899
34755
C00019
0.8
399.1456
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME103844
36143
C12323
0.81
168.0658
ADENOSINE
Adenosine
ME103848
60961
C00212
5.64
290.0856
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME103883
64969
C01152
0.72
170.0926
N-ACETYL-L-ALANINE
N-Acetylalanine
ME103885
88064
-
2.15
154.0476
(R)-MALATE
D-Malic acid
ME103839
92824
C00497
1.07
157.0111
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME103888
92907
C12989
1.05
189.1238
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME103887
122356
C02714
1.15
131.118
PHOSPHOCHOLINE
Choline phosphate
ME103895
135437
-
0.72
184.0737
L-PROLINE
Proline
ME103878
145742
C00148
0.81
116.071
N-ACETYLNEURAMINATE
N-Acetylneuraminic acid
ME103886
439197
C00270
0.79
310.114
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME103897
439227
C00408
1.27
130.0867
D-(+)-RAFFINOSE
Raffinose
ME103863
439242
C00492
0.82
527.1598
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME103872
439278
-
0.76
187.0006
CYS-GLY
Cys-Gly
ME103861
439498
-
0.87
179.0476
4-HYDROXYPROLINE
cis-4-Hydroxyproline
ME103845
440015
C01015
0.73
132.0658
TRANS-CINNAMATE
trans-Cinnamic acid
ME103902
444539
C00423
9.77
149.0597
FERULATE
trans-Ferulic acid
ME103865
445858
C01494
8.37
195.065
LysoPC (16:0)
LPC 16:0
ME103881
460602
C04230
13.66
496.3384
LysoPE (18:1)
LPE 18:1
ME103882
9547071
-
13.66
480.3073
Caffeine-D3
Caffeine
ME103857
13001298
-
7.89
198.1067
L-Leucine-D10
Leucine
ME103876
16213587
-
2.45
142.1648
6C-SUGAR ALCOHOL
-
ME103846
-
-
0.73
205.0687
ALANINE/SARCOSINE
Alanine/Sarcosine
ME103850
-
-
0.71
90.0553
ALDO/KETO-HEXOSE
Hexose
ME103851
-
-
0.76
203.053
ALDOPENTOSE
Aldopentose
ME103852
-
-
0.8
173.0428
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME103854
-
-
0.81
162.0763
GLUCOSAMINE/MANNOSAMINE
-
ME103866
-
-
0.75
180.0868
GLUCOSE/FRUCTOSE-PHOSPHATE
-
ME103867
-
-
0.72
283.0193
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME103870
-
-
0.89
365.1048
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE
-
ME103880
-
-
1.1
118.0866
Phenylalanine-HCOOH
-
ME103894
-
-
6.2
120.081
THREONINE/HOMOSERINE
Threonine/Homoserine
ME103901
-
-
0.73
120.0658
Tryptophan-2,3,3-D3
Tryptophan
ME103904
-
-
7.62
208.1162
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME103905
-
-
7.63
191.0893
Analysis: ESI Negative mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-METHYL-2-OXOVALERIC ACID
3-Methyl-2-oxovaleric acid
ME103915
47
C03465
6.71
129.0558
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME103925
51
C00026
1.3
145.0143
4-METHYL-2-OXO-PENTANOIC ACID
Ketoleucine
ME103916
70
C00233
7.31
129.0558
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME103963
185
-
2.23
188.0558
ADENINE
Adenine
ME103919
190
C00147
1.5
134.047
CITRATE
Citric acid
ME103930
311
C00158
1.95
191.0194
3,4-DIHYDROXYPHENYLACETATE
3,4-Dihydroxybenzeneacetic acid
ME103913
547
C01161
7.04
167.0329
DIHYDROXYACETONE PHOSPHATE
Dihydroxyacetone phosphate
ME103934
668
C00111
0.74
168.9906
GLUTARATE
Glutaric acid
ME103943
743
C00489
4.68
131.0348
Glyceraldehyde
Glyceraldehyde
ME103945
751
C02154
0.74
89.0238
GLYCOLATE
Glycolic acid
ME103948
757
C00160
0.83
75.008
MALONATE
Malonic acid
ME103960
867
C00383
1.19
103.0032
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME103912
873
C01198
8.73
165.0553
NICOTINATE
Nicotinic acid
ME103965
938
C00253
1.36
122.0244
SUCCINATE
Succinic acid
ME103972
1110
C00042
2.3
117.0193
URACIL
Uracil
ME103978
1174
C00106
1.34
111.0197
URATE
Uric acid
ME103979
1175
C00366
1.88
167.021
2,5-DIHYDROXYBENZOATE
Gentisic acid
ME103911
3469
C00628
7.48
153.0188
ASPARTATE
Aspartic acid
ME103927
5960
C00049
0.72
132.0299
L-GLUTAMINE
Glutamine
ME103955
5961
C00064
0.72
145.0615
Inosine
Inosine
ME103952
6021
C00294
0.8
267.0721
INOSINE
Inosine
ME103953
6021
C00294
6.11
267.0723
ADP_1
ADP
ME103922
6022
C00008
1.13
426.0223
ADP_2
ADP
ME103923
6022
C00008
0.84
426.0217
URIDINE
Uridine
ME103980
6029
C00299
2.87
243.0614
URIDINE-5-MONOPHOSPHATE
UMP
ME103981
6030
C00105
1.27
323.028
UDP
UDP
ME103977
6031
C00015
0.86
402.993
L-TYROSINE
Tyrosine
ME103958
6057
C00082
3.39
180.0668
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME103921
6083
C00020
1.69
346.0545
3'-CMP
3'-CMP
ME103914
6131
C05822
1.6
322.0446
CMP
CMP
ME103932
6131
C00055
1.11
322.0446
L-METHIONINE
Methionine
ME103957
6137
C00073
1.43
148.0439
ASPARAGINE
Asparagine
ME103926
6267
C00152
0.7
131.0461
Tryptophan
Tryptophan
ME103976
6305
C00078
7.64
203.0821
QUINATE
Quinic acid
ME103969
6508
C00296
0.8
191.0557
Guanosine
Guanosine
ME103949
6802
C00387
6.23
282.0844
GUANOSINE 5'-MONOPHOSPHATE
GMP
ME103950
6804
C00144
1.99
362.0517
5-OXO-L-PROLINE
Pyroglutamic acid
ME103917
7405
C01879
1.81
128.035
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME103961
20393
C03343
13.54
277.1447
Mono-(2-Ethylhexyl) Phthalate Dimer
Monoethylhexyl phthalic acid
ME103962
20393
C03343
13.65
540.3293
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME103966
22880
C12269
0.74
146.0458
D-SACCHARIC ACID
Glucaric acid
ME103937
33037
C00818
0.72
209.0301
ADENOSINE
Adenosine
ME103920
60961
C00212
5.67
266.0897
Glucose 1-Phosphate
Glucose 1-phosphate
ME103941
65533
C11450
0.73
259.0227
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME103918
91493
C00345
0.78
275.0182
NALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME103964
92907
C12989
1.34
187.1089
Erythrose 4-Phosphate
Erythrose 4-phosphate
ME103938
122357
C00279
0.74
199.001
GLUTATHIONE
Glutathione
ME103944
124886
C00051
1.62
306.0769
Proline
Proline
ME103968
145742
C00148
0.8
114.0559
MALATE
Malic acid
ME103959
222656
C00149
0.9
133.0139
GLYCERIC ACID
Glyceric acid
ME103946
439194
C00258
0.8
105.0188
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME103954
439278
-
0.73
184.9849
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME103967
439377
C01046
0.79
160.0612
TRANS-ACONITATE
trans-Aconitic acid
ME103975
444212
C02341
3.22
173.0089
Fumaric Acid
Fumaric acid
ME103939
444972
C00122
2.07
115.0035
Linoleic Acid (18:2)
Linoleic acid
ME103956
5280450
C01595
16.23
279.2328
CITRIC ACID-13C6
Citric acid
ME103931
16217547
-
1.95
197.0399
Salicylic Acid-D4
Salicylic acid
ME103970
46782907
-
9.93
141.0496
ALDOPENTOSE
Aldopentose
ME103924
-
-
0.75
149.0451
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL...
-
ME103928
-
-
0.79
341.1074
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME103929
-
-
0.74
179.0558
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME103933
-
-
0.72
193.0346
DISACCHARIDE (6C/6C)
-
ME103935
-
-
0.8
377.0848
D-RIBOSE 5-PHOSPHATE/RIBULOSE 5-PHOSPHATE
Ribose
ME103936
-
-
0.73
229.0119
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME103940
-
-
0.73
195.0509
GLUCOSE/FRUCTOSE [M+Cl]-
Hexose
ME103942
-
-
0.73
215.0326
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATE
Phosphoglyceric acid
ME103947
-
-
0.73
171.0059
HEXOSE ALCOHOL
-
ME103951
-
-
0.73
181.0714
SARCOSINE/BETA-ALANINE
-
ME103971
-
-
0.72
88.0398
SUCCINIC ACID-13C6
Succinic acid
ME103973
-
-
2.31
121.0325
THREONINE/HOMOSERINE
Threonine/Homoserine
ME103974
-
-
0.72
118.0509
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel