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 ST001163 main page
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
L-ASPARAGINE
Asparagine
ME277347
6267
-
0.71
133.0606
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME277364
440120
-
0.71
189.1595
TAURINE
Taurine
ME277379
1123
-
0.72
126.0223
L-GLUTAMINE_R1
Glutamine
ME277349
5961
-
0.73
147.0762
THREONINE/HOMOSERINE_R1
Threonine/Homoserine
ME277381
-
-
0.73
120.0655
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME277318
137
-
0.74
132.0651
Glycerophosphocholine
sn-Glycero-3-phosphocholine
ME277339
71920
-
0.75
258.1095
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME277367
22880
-
0.75
148.0602
4-AMINOBUTANOATE (GABA)_R1
gamma-Aminobutyric acid
ME277314
119
-
0.77
104.0706
5-Hydroxymethyl-2-furaldehyde
5-Hydroxymethyl-2-furancarboxaldehyde
ME277320
237332
-
0.77
127.0389
CITRULLINE
Citrulline
ME277333
9750
-
0.77
176.1025
ALANINE/SARCOSINE
Alanine/Sarcosine
ME277322
-
-
0.78
90.0550
BETAINE
Betaine
ME277327
247
-
0.78
118.0862
Choline
Choline
ME277332
305
-
0.80
104.107
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE
-
ME277325
-
-
0.82
162.0759
L-PROLINE
Proline
ME277357
145742
-
0.82
116.0706
THREONINE/HOMOSERINE_R2
Threonine/Homoserine
ME277382
-
-
0.86
120.0654
CREATINE
Creatine
ME277334
586
-
0.88
132.0769
Creatine-D3
Creatine
ME277335
-
-
0.88
135.0954
L-CARNITINE
Carnitine
ME277348
10917
-
0.90
162.1121
Trigonelline
Trigonelline
ME277383
5570
-
0.90
138.0547
L-GLUTAMINE_R2
Glutamine
ME277350
5961
-
0.92
147.0760
Stachydrine
Stachydrine
ME277377
115244
-
0.92
144.1018
ALDOPENTOSE
Aldopentose
ME277323
-
-
0.93
173.0426
N-ALPHA-ACETYL-L-LYSINE
N(2)-Acetyllysine
ME277359
92907
-
0.95
189.1229
4-AMINOBUTANOATE (GABA)_R2
gamma-Aminobutyric acid
ME277315
119
-
0.97
104.0706
HOMOCYSTEINE
Homocysteine
ME277342
778
-
0.98
136.0423
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME277358
94214
-
0.99
217.0685
Octanoylcarnitine
CAR 8:0
ME277368
11953814
-
10.36
288.2163
Formylkynurenine
N-Formyl-L-kynurenine
ME277338
910
-
10.63
237.0865
BUTYROBETAINE_R1
3-Dehydroxycarnitine
ME277330
-
C01181
1.08
146.1174
N-BOC-L-tert-Leucine
-
ME277361
2734668
-
10.84
132.1017
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME277372
439227
-
1.12
130.0862
BOC-D-Phenylalanine
-
ME277328
637610
-
11.38
166.0861
Decanoylcarnitine
CAR 10:0
ME277336
10245190
-
11.60
316.2476
BUTYROBETAINE_R2
3-Dehydroxycarnitine
ME277331
-
C01181
1.18
146.1174
PICOLINIC ACID
Picolinic acid
ME277371
1018
-
1.29
124.0394
NICOTINAMIDE_R2
Niacinamide
ME277366
936
-
1.39
123.0553
GUANINE
Guanine
ME277341
764
-
1.41
152.0561
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME277316
500
-
1.52
146.0922
Isocytosine
2-Amino-4-hydroxypyrimidine
ME277345
66950
-
1.52
112.0506
NICOTINAMIDE_R1
Niacinamide
ME277365
936
-
1.55
123.0553
Pyroglutamic Acid
Pyroglutamic acid
ME277374
7405
-
1.72
130.0499
URATE
Uric acid
ME277387
1175
-
1.79
169.0357
HYPOXANTHINE
Hypoxanthine
ME277343
790
-
1.96
137.0458
DEOXYCYTIDINE
Deoxycytidine
ME277337
13711
-
2.10
228.0969
L-Isoleucine
Isoleucine
ME277351
6306
-
2.10
132.1019
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME277380
1128
-
2.17
105.0369
SUCCINATE
Succinic acid
ME277378
1110
-
2.19
141.0156
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME277313
6047
-
2.25
198.0757
L-Leucine-D10
Leucine
ME277355
16213587
-
2.34
142.1645
L-LEUCINE
Leucine
ME277353
857
-
2.37
132.1019
L-Leucine 13C6
Leucine
ME277354
-
-
2.37
138.1221
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME277312
6950574
-
3.26
182.0809
2'-DEOXYADENOSINE
Deoxyadenosine
ME277311
13730
-
6.00
252.1086
Allopurinol
Allopurinol
ME277324
2094
-
6.04
137.0457
Phenylalanine
Phenylalanine
ME277370
6140
-
6.10
166.0861
L-Phenylalanine 13C6
Phenylalanine
ME277356
-
-
6.15
172.1068
L-KYNURENINE
Kynurenine
ME277352
161166
-
6.38
209.0914
Proprionylcarnitine
CAR DC3:0
ME277373
107738
-
6.55
218.1383
Acyl-Carnitine(5-OH)
CAR 5:0;OH
ME277321
-
-
6.58
262.1643
5-HYDROXY-L-TRYPTOPHAN
5-Hydroxy-tryptophan
ME277319
144
-
6.63
221.0916
Glycyl-L-leucine
Gly-Leu
ME277340
92843
-
6.71
189.1229
PHENETHYLAMINE
Phenylethylamine
ME277369
1001
-
6.74
122.0963
SEROTONIN
Serotonin
ME277375
5202
-
6.86
177.1020
5-(Dihydroxyphenyl)-gamma-Valerolactone
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone
ME277317
152432
-
7.18
209.0784
Isobutyrylcarnitine
CAR 3:0;2Me
ME277344
10177002
-
7.37
232.1539
Tryptophan-2,3,3-D3
Tryptophan
ME277385
-
-
7.61
208.1156
Tryptophan-NH3
Tryptophan
ME277386
-
-
7.61
188.0703
Source Fragment TRP
-
ME277376
-
-
7.62
118.0651
Tryptophan
Tryptophan
ME277384
6305
-
7.62
205.0970
Valerylcarnitine
CAR 5:0
ME277388
6426903
-
7.89
246.1695
Isovalerylcarnitine
CAR 4:0;3Me
ME277346
169235
-
8.04
246.1695
Anthranilate
2-Aminobenzoic acid
ME277326
227
-
8.56
120.0443
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME277310
17520
-
9.91
152.0163
BOC-L-Tyrosine
Tyrosine
ME277329
117439
-
-
182.0809
N-BOC-L-Aspartic Acid
Aspartic acid
ME277360
99718
-
-
134.0446
N-BOC-L-Tryptophan_R1
Tryptophan
ME277362
-
-
-
205.0968
N-BOC-L-Tryptophan_R2
Tryptophan
ME277363
-
-
-
327.1308
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
CARNOSINE
Carnosine
ME277401
439224
-
0.72
225.0992
GLUCOSE/FRUCTOSE_R1
Hexose
ME277409
-
C00293/C01496
0.72
215.0325
GLUCOSE/FRUCTOSE_R2
Hexose
ME277410
5793
-
0.73
217.0298
L-GLUTAMINE
Glutamine
ME277419
5961
-
0.73
145.0617
THREONINE/HOMOSERINE
Threonine/Homoserine
ME277443
-
-
0.73
118.0508
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME277408
-
-
0.74
195.0508
D-SACCHARIC ACID
Glucaric acid
ME277406
33037
-
0.75
209.0300
L-GLUTAMIC ACID_R1
Glutamic acid
ME277417
33032
-
0.75
146.0458
Sulfoacetaldehyde
Sulfoacetaldehyde
ME277441
160226
-
0.78
122.9756
LL-2,6-DIAMINOHEPTANEDIOATE
2,6-Diaminopimelic acid
ME277421
439283
-
0.82
189.0879
L-ANSERINE
Anserine
ME277415
112072
-
0.83
239.1143
N-ACETYL-HEXOSAMINE
N-Acetylhexosamine
ME277427
-
-
0.83
220.0823
GLYCOLATE
Glycolic acid
ME277412
757
-
0.85
75.0081
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME277436
439377
-
0.85
160.0613
L-GLUTAMIC ACID_R2
Glutamic acid
ME277418
33032
-
0.86
146.0457
SARCOSINE/BETA-ALANINE
-
ME277439
-
-
0.87
88.0399
ASCORBIC ACID-2H
Vitamin C
ME277397
54670067
-
0.89
173.0089
CREATINE
Creatine
ME277404
586
-
0.89
130.0621
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME277400
-
-
0.91
179.0559
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME277405
-
-
0.91
193.0351
ASCORBIC ACID
Vitamin C
ME277396
54670067
-
0.92
175.0241
L-CARNITINE
Carnitine
ME277416
10917
-
0.93
196.0742
ALDOPENTOSE
Aldopentose
ME277393
-
-
0.96
149.0453
Inosine
Inosine
ME277414
135398641
C00294
0.96
267.0715
GLYCERIC ACID
Glyceric acid
ME277411
439194
-
1.00
105.0189
MALATE
Malic acid
ME277425
92824
-
1.05
133.0141
N-BOC-L-tert-Leucine_R1
-
ME277432
-
-
10.82
156.0665
N-BOC-L-tert-Leucine_R2
-
ME277433
-
-
10.82
230.1394
Chenodeoxycholic Acid (CDCA)
Chenodeoxycholic acid
ME277402
-
-
12.19
437.2904
ADENINE
Adenine
ME277392
190
-
1.41
134.0471
N-ACETYL-L-ASPARTIC ACID
N-Acetylaspartic acid
ME277428
65065
-
1.55
174.0405
Arachidonic Acid (20:4)
Arachidonic acid
ME277395
444899
-
15.88
303.2325
URATE
Uric acid
ME277445
1175
-
1.80
167.0208
CITRIC ACID-13C6
Citric acid
ME277403
16217547
-
1.82
197.0396
Fumaric Acid
Fumaric acid
ME277407
444972
C00122
1.95
115.0035
SUCCINIC ACID-13C4
Succinic acid
ME277440
16213533
-
2.17
121.0322
Propionic Acid-13C3
Propionic acid
ME277437
9877334
-
2.19
76.0388
3,4-DIHYDROXY-L-PHENYLALANINE
DOPA
ME277391
6047
-
2.25
196.0611
L-ISOLEUCINE
Isoleucine
ME277420
6306
-
2.33
130.0872
XANTHINE
Xanthine
ME277446
1188
-
2.42
151.0258
METHYLMALONATE
Methylmalonic acid
ME277426
487
-
2.63
117.0191
L-TYROSINE
Tyrosine
ME277423
6057
-
3.27
180.0664
L-Tyrosine-13C6
Tyrosine
ME277424
12144755
-
3.27
186.0864
L-Phenylalanine-13C6
Phenylalanine
ME277422
71309396
-
6.09
170.0916
Guanosine
Guanosine
ME277413
6802
-
6.27
282.0841
3,4-DIHYDROXYBENZOATE
Protocatechuic acid
ME277390
72
-
6.79
153.0194
Tryptophan
Tryptophan
ME277444
6305
-
7.60
203.0824
ANTHRANILATE
2-Aminobenzoic acid
ME277394
227
-
7.87
136.0403
N-ACETYLSEROTONIN
N-Acetylserotonin
ME277429
903
-
8.07
218.1017
Salicylic Acid-D4
Salicylic acid
ME277438
46782907
-
9.87
141.0495
Taurocholic acid (TCA)
Taurocholic acid
ME277442
-
-
9.89
514.2829
1,2-Benzisothiazolin-3-one
1,2-Benzisothiazol-3(2H)-one
ME277389
17520
-
9.90
150.0016
BOC-L-Tyrosine_R1
Tyrosine
ME277398
-
-
-
206.0456
BOC-L-Tyrosine_R2
Tyrosine
ME277399
-
-
-
280.1186
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME277430
-
-
-
232.0825
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME277431
-
-
-
158.0093
N-BOC-L-Tryptophan_R1
Tryptophan
ME277434
-
-
-
229.0615
N-BOC-L-Tryptophan_R2
Tryptophan
ME277435
-
-
-
303.1348
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel