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 ST000572 main page
Analysis: UHPLC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
4-AMINOBUTANOATE (GABA)
gamma-Aminobutyric acid
ME169336
119
-
0.79
104.0708
Choline
Choline
ME169356
305
-
0.83
104.1071
Tetrahydrothiophene-1-oxide
Tetrahydrothiophene-1-oxide
ME169418
1128
-
2.24
105.0370
CYTOSINE
Cytosine
ME169362
597
-
0.81
112.0504
Isocytosine
2-Amino-4-hydroxypyrimidine
ME169379
66950
-
1.55
112.0507
URACIL
Uracil
ME169426
1174
-
1.35
113.0347
CREATININE
Creatinine
ME169360
588
-
0.92
114.0664
L-PROLINE
Proline
ME169389
145742
-
0.81
116.0708
BETAINE
Betaine
ME169352
247
-
0.80
118.0864
PHENETHYLAMINE
Phenylethylamine
ME169409
1001
-
6.85
122.0965
NICOTINAMIDE
Niacinamide
ME169402
936
-
1.50
123.0555
PICOLINIC ACID
Picolinic acid
ME169411
1018
-
1.31
124.0396
5-Hydroxymethyl-2-furaldehyde_R1
5-Hydroxymethyl-2-furancarboxaldehyde
ME169342
237332
-
0.76
127.0391
5-Hydroxymethyl-2-furaldehyde_R2
5-Hydroxymethyl-2-furancarboxaldehyde
ME169343
237332
-
0.89
127.0391
4-IMIDAZOLEACETIC ACID
Imidazoleacetic acid
ME169339
96215
-
0.96
127.0501
Sulcatol
(R)-Sulcatol
ME169417
20745
-
8.96
129.1275
5-OXO-L-PROLINE
Pyroglutamic acid
ME169345
7405
-
1.76
130.0501
PIPECOLATE/L-PIPECOLIC ACID
Pipecolic acid
ME169412
439227
-
1.19
130.0864
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME169396
122356
-
1.05
131.1180
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME169340
137
-
0.78
132.0656
N-BOC-L-tert-Leucine
-
ME169398
2734668
-
10.86
132.1019
L-Isoleucine
Isoleucine
ME169384
6306
-
2.14
132.1020
L-LEUCINE
Leucine
ME169385
857
-
2.49
132.1021
TRANS-CINNAMALDEHYDE
Cinnamaldehyde
ME169419
637511
-
7.85
133.0606
N-BOC-L-Aspartic Acid
Aspartic acid
ME169397
99718
-
-
134.0448
ASPARTATE
Aspartic acid
ME169351
5960
-
0.71
134.0449
Creatine-D3
Creatine
ME169359
-
-
0.89
135.0958
ADENINE
Adenine
ME169347
190
-
1.42
136.0619
HYPOXANTHINE
Hypoxanthine
ME169378
790
-
1.96
137.0459
Trigonelline
Trigonelline
ME169422
5570
-
0.97
138.0551
TYRAMINE
Tyramine
ME169425
5610
-
4.49
138.0916
L-Leucine 13C6
Leucine
ME169386
-
-
2.50
138.1222
NICOTINAMIDE-N-OXIDE
Nicotinamide N-oxide
ME169403
-
-
1.51
139.0504
UROCANATE
Urocanic acid
ME169429
736715
-
1.92
139.0504
N-ACETYLGLYCINE
N-Acetylglycine
ME169395
10972
-
1.48
140.0344
SUCCINATE
Succinic acid
ME169416
1110
-
2.24
141.0160
L-ALLOTHREONINE
Allothreonine
ME169380
99289
-
0.89
142.0499
L-Leucine-D10
Leucine
ME169387
16213587
-
2.46
142.1647
Stachydrine
Stachydrine
ME169415
115244
-
0.96
144.102
ERYTHRITOL
Erythritol
ME169371
222285
-
0.76
145.0495
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME169337
500
-
1.57
146.0925
DEOXYCARNITINE
3-Dehydroxycarnitine
ME169363
725
-
1.28
146.1176
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME169404
22880
-
0.77
148.0604
3-METHYL-2-OXINDOLE
3-Methyloxindole
ME169335
150923
-
8.82
148.0757
TRANS-CINNAMATE
trans-Cinnamic acid
ME169420
444539
-
9.75
149.0597
3,4-Dimethylbenzoic acid
3,4-Dimethylbenzoic acid
ME169332
11897
-
8.52
151.0754
GUANINE
Guanine
ME169376
764
-
1.44
152.0568
Acetaminophen/Paracetamol
Acetaminophen
ME169346
1983
-
6.89
152.0708
Norephedrine
Phenylpropanolamine
ME169405
26934
-
6.36
152.1070
3-AMINO-5-HYDROXYBENZOIC ACID
3-Amino-5-hydroxybenzoic acid
ME169334
127115
-
2.00
154.0502
GLUTARATE
Glutaric acid
ME169374
743
-
4.64
155.0306
Dipropylene glycol
-
ME169367
6510
-
6.51
157.0836
L-CARNITINE
Carnitine
ME169381
10917
-
0.88
162.1125
2,4-DIHYDROXYPTERIDINE
Lumazine
ME169330
10250
-
3.50
165.0408
BOC-D-Phenylalanine
-
ME169353
637610
-
11.41
166.0864
Phenylalanine
Phenylalanine
ME169410
6140
-
6.23
166.0864
PYRIDOXAL
Pyridoxal
ME169414
1050
-
1.85
168.0656
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME169338
36143
-
0.81
168.0662
URATE
Uric acid
ME169427
1175
-
1.78
169.0358
CITRAMALATE
Citramalic acid
ME169357
1081
-
2.19
171.0265
L-Phenylalanine 13C6
Phenylalanine
ME169388
-
-
6.22
172.1065
D-Ribose
Ribose
ME169368
10975657
-
0.82
173.0420
BOC-L-Tyrosine
Tyrosine
ME169354
117439
-
-
182.0812
2-Hydroxyphenylalanine
2-Hydroxy-L-Phenylalanine
ME169331
6950574
-
3.33
182.0813
Triethyl phosphate
Triethyl phosphate
ME169421
6535
-
9.31
183.0781
L-Tyrosine 13C6
Tyrosine
ME169390
-
-
3.33
188.1013
Glycyl-L-leucine
Gly-Leu
ME169375
92843
-
6.78
189.1234
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME169394
185
-
2.14
190.0711
Caffeine-D3
Caffeine
ME169355
13001298
-
7.88
198.1065
ALDO/KETO-HEXOSE
Hexose
ME169350
-
-
0.71
203.0525
N-BOC-L-Tryptophan_R1
Tryptophan
ME169399
-
-
-
205.0972
Tryptophan
Tryptophan
ME169423
6305
-
7.63
205.0974
Tryptophan-2,3,3-D3
Tryptophan
ME169424
-
-
7.63
208.1160
1,3-Benzodioxolyl-N-methylbutanamine (MBDB)
-
ME169329
124844
-
9.15
208.1316
N-Butylbenzenesulfonamide
-
ME169401
19241
-
11.88
214.0895
CITRATE
Citric acid
ME169358
311
-
1.86
215.0161
N-Acetyl-Arginine
N-Acetylarginine
ME169393
67427
-
1.60
217.1291
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME169373
-
-
0.72
219.0476
3,5-Di-tert-butylbenzaldehyde
-
ME169333
6440942
-
14.28
219.1743
Pantothenic Acid
Pantothenic acid
ME169407
6613
-
6.60
220.1178
Monobutyl phthalate
Monobutylphthalate
ME169392
8575
-
12.39
223.0965
METHYL JASMONATE
Methyl jasmonate
ME169391
5281929
-
11.66
225.1484
DEOXYCYTIDINE
Deoxycytidine
ME169364
13711
-
2.15
228.0976
Leu Pro_R1
Leu-Pro
ME169382
-
-
7.30
229.1545
Leu Pro_R2
Leu-Pro
ME169383
-
-
7.17
229.1545
Ergothioneine
Ergothioneine
ME169369
5351619
-
1.29
231.0975
Formylkynurenine
N-Formyl-L-kynurenine
ME169372
910
-
10.67
237.0868
CYTIDINE
Cytidine
ME169361
6175
-
1.55
244.0926
DEOXYURIDINE
Deoxyuridine
ME169365
13712
-
4.37
251.0635
5'-DEOXYADENOSINE
5'-Deoxyadenosine
ME169341
439182
-
6.04
252.1089
5-Hydroxy-N-formylkynurenine
5-Hydroxy-N-formylkynurenine
ME169344
440744
-
11.13
253.0816
Palmitoleic acid
Palmitoleic acid
ME169406
445638
-
14.17
255.2316
PEG n5
Pentaethylene glycol
ME169408
62551
-
7.06
261.1307
URIDINE
Uridine
ME169428
6029
-
2.75
267.0585
ADENOSINE
Adenosine
ME169348
60961
-
5.65
268.1037
Dibutyl phthalate
Dibutyl phthalate
ME169366
3026
-
14.70
279.1588
N-BOC-L-Tryptophan_R2
Tryptophan
ME169400
-
-
-
327.1310
Erucamide
13Z-Docosenamide
ME169370
5365371
-
16.82
338.3412
HEXOSE-DISACCHARIDE
Hexose disaccharide
ME169377
-
-
0.81
365.1047
Pyridine
Pyridine
ME169413
1049
-
1.10
80.0496
ALANINE/SARCOSINE
Alanine/Sarcosine
ME169349
-
-
0.71
90.0551
Analysis: UHPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
GLYCERIC ACID
Glyceric acid
ME169457
439194
-
0.83
105.0192
SUCCINATE
Succinic acid
ME169482
1110
-
2.26
117.0195
4-HYDROXYBENZALDEHYDE
4-Hydroxybenzaldehyde
ME169437
126
-
8.10
121.0299
SUCCINIC ACID-13C4
Succinic acid
ME169483
16213533
-
2.26
121.0331
Sulfoacetaldehyde
Sulfoacetaldehyde
ME169484
160226
-
0.74
122.9760
4-oxoproline
4-Oxo-proline
ME169438
107541
-
1.78
128.0356
ETHYLMALONIC ACID
Ethylmalonic acid
ME169453
11756
-
6.06
131.0353
6-Hydroxycaproic acid
6-Hydroxycaproic acid
ME169439
14490
-
7.90
131.0718
ASPARTATE
Aspartic acid
ME169443
83887
-
0.72
132.0306
MALATE
Malic acid
ME169467
92824
-
1.06
133.0145
ADENINE
Adenine
ME169440
190
-
1.44
134.0476
HYPOXANTHINE
Hypoxanthine
ME169460
790
-
1.99
135.0315
ANTHRANILATE
2-Aminobenzoic acid
ME169442
227
-
7.96
136.0407
Salicylic Acid-D4
Salicylic acid
ME169481
46782907
-
9.96
141.0500
L-GLUTAMIC ACID
Glutamic acid
ME169463
33032
-
0.77
146.0462
ALDOPENTOSE
Aldopentose
ME169441
-
-
0.85
149.0458
GUANINE
Guanine
ME169458
764
-
1.45
150.0422
XANTHINE
Xanthine
ME169488
1188
-
2.44
151.0264
3-SULFINO-L-ALANINE
3-Sulfino-alanine
ME169435
1549098
-
0.78
152.0026
3-Aminosalicylic acid
3-Aminosalicylic acid
ME169432
68443
-
11.04
152.0357
N-BOC-L-tert-Leucine_R1
-
ME169476
-
-
10.87
156.0669
N-BOC-L-Aspartic Acid_R2
Aspartic acid
ME169475
-
-
-
158.0098
3-methyladipic acid
3-Methyladipic acid
ME169434
12292
-
7.85
159.0668
N-METHYL-L-GLUTAMATE
N-Methyl-glutamic acid
ME169480
439377
-
0.81
160.0619
2,4-DIHYDROXYPTERIDINE
Lumazine
ME169430
10250
-
3.52
163.0264
3-(2-HYDROXYPHENYL)PROPANOATE
3-(2-Hydroxyphenyl)propanoic acid
ME169431
873
-
8.72
165.0560
URATE
Uric acid
ME169486
1175
-
1.79
167.0212
L-Phenylalanine-13C6
Phenylalanine
ME169464
71309396
-
6.24
170.0922
N-ACETYL-L-LEUCINE
N-Acetylleucine
ME169472
70912
-
7.56
172.0983
C6H12O6-HEXOSE/KETOSE/INOSITOL
Hexose
ME169446
-
-
0.78
179.0564
L-TYROSINE
Tyrosine
ME169465
6057
-
3.35
180.0670
Xylenesulfonate
-
ME169489
11868
-
8.24
185.0282
L-Tyrosine-13C6
Tyrosine
ME169466
12144755
-
3.35
186.0870
3-Hydroxydecanoic acid
3-Hydroxydecanoic acid
ME169433
26612
-
11.30
187.1343
N-ACETYL-DL-GLUTAMIC ACID
N-Acetylglutamic acid
ME169470
185
-
2.16
188.0568
CITRATE
Citric acid
ME169447
311
-
1.87
191.0201
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTU...
-
ME169450
-
-
0.78
193.0358
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE
Gluconic acid/Gulonolactone
ME169454
-
-
0.74
195.0513
CITRIC ACID-13C6
Citric acid
ME169448
16217547
-
1.87
197.0400
3-tert-Butyladipic acid
Sebacic acid
ME169436
5192
-
9.85
201.1137
BOC-L-Tyrosine_R1
Tyrosine
ME169444
-
-
-
206.0462
Tryptophan-2,3,3-D3
Tryptophan
ME169485
-
-
7.63
206.1018
GLUCOSE/FRUCTOSE_R1
Hexose
ME169455
-
C00293;C01496
0.72
215.0332
GLUCOSE/FRUCTOSE_R2
Hexose
ME169456
5793
-
0.72
217.0300
N-ACETYLSEROTONIN
N-Acetylserotonin
ME169473
903
-
8.10
218.1018
Monobutyl phthalate
Monobutylphthalate
ME169469
8575
-
11.40
221.0825
DEOXYURIDINE
Deoxyuridine
ME169449
13712
-
4.40
227.0678
N-BOC-L-Tryptophan_R2
Tryptophan
ME169479
-
-
-
229.0622
N-BOC-L-tert-Leucine_R2
-
ME169477
-
-
10.87
230.1401
N-BOC-L-Aspartic Acid_R1
Aspartic acid
ME169474
-
-
-
232.0831
Dinoterb (herbicide)
-
ME169451
14994
-
14.31
239.0681
URIDINE
Uridine
ME169487
6029
-
2.78
243.0625
N-ACETYL-D-MANNOSAMINE
N-Acetyl-mannosamine
ME169471
439281
-
0.77
256.0603
Inosine
Inosine
ME169461
6021
C00294
0.86
267.0725
Mono-(2-Ethylhexyl) Phthalate
Monoethylhexyl phthalic acid
ME169468
20393
-
13.53
277.1449
BOC-L-Tyrosine_R2
Tyrosine
ME169445
-
-
-
280.1195
Guanosine
Guanosine
ME169459
6802
-
6.23
282.0848
N-BOC-L-Tryptophan_R1
Tryptophan
ME169478
-
-
-
303.1356
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose
-
ME169452
-
-
0.78
377.0862
LACTATE
Lactic acid
ME169462
612
-
1.21
89.0242
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel