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 ST000564 main page
Analysis: HPLC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate
-
ME167265
13119151
-
11.78
353.2306
1,5-anhydro-D-mannitol
1,5-Anhydro-mannitol
ME167272
445184
-
12.87
165.0762
2,3-dihydroxy-3-methylvalerate
2,3-Dihydroxy-3-methylvaleric acid
ME167274
12
-
0.8
149.0807
2-(6'-methylthio)hexylmalate
-
ME167273
44237241
-
1.57
265.1117
2-aceto-2-hydroxy-butanoate
2-Acetolactate
ME167275
22
-
0.83
147.066
2-dehydro-3-deoxy-L-rhamnonate
-
ME167276
49852300
-
0.89
163.0602
(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanon...
-
ME167266
25243894
-
0.9
141.0548
2-isopropylmaleate
Isopropylmaleate
ME167277
5280533
-
0.89
159.0656
2-keto-6-aminocaproate
2-Keto-6-aminocaproate
ME167278
26
-
0.85
146.0815
2-keto-L-gulonate
-
ME167279
7059386
-
8.3
195.0486
2-oxindole-3-acetyl-L-aspartate
-
ME167280
23
-
7.95
307.0924
2-oxoglutarate
2-Oxoglutaric acid
ME167281
2
-
2.02
147.0289
2-oxo-indole-3-acetate
-
ME167282
23
-
7.97
192.0653
(2S,4S)-4-hydroxy-2,3,4,5-tetrahydrodipicolinate
-
ME167267
53323638
-
3.08
188.0543
3-(2'-methylthio)ethylmalic-acid
-
ME167283
32
-
1.01
209.0497
3,4-dihydroxyphenylglycol
3,4-Dihydroxyphenylglycol
ME167285
91528
-
2.38
171.0632
3-methyladenine
3-Methyladenine
ME167286
3
-
1.65
150.0776
3-(phosphonoacetylamido)-L-alanine
-
ME167284
46926153
-
7.59
227.0441
4,5-dihydroxyisophthalate
-
ME167287
54746222
-
1.2
199.022
4,8-sphingadienine
-
ME167288
71296149
-
12.77
298.2741
4-aminobenzoate
p-Aminobenzoic acid
ME167289
4876
-
0.89
138.0553
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME167290
119
-
0.86
104.0713
4-deoxypyridoxine 5'-phosphate
4-Deoxypyridoxine 5'-phosphate
ME167291
95687
-
7.59
234.0523
4-GUANIDINOBUTANOATE
4-Guanidinobutanoic acid
ME167292
500
-
1.72
146.0928
4-hydroxy-2,5-dimethyl-3(2H)-furanone
Furaneol
ME167293
19309
-
0.81
129.055
4-hydroxy-5-methyl-2-methylene-3(2H)-furanone
-
ME167294
17755065
-
0.89
127.0393
4-hydroxybutanoate
4-Methylthiobutylhydroximoyl-cysteinylglycine
ME167295
4
-
0.83
105.0551
4-HYDROXY-L-PHENYLGLYCINE
4-Hydroxyphenylglycine
ME167296
36143
-
0.89
168.0657
4-methylthiobutanaldoxime
4-Methylthiobutanaldoxime
ME167297
3
-
0.76
134.0644
4-methylthiobutylhydroximoyl-cysteinylglycine
4-Methylthiobutylhydroximoyl-cysteinylglycine
ME167298
90658957
-
1.68
310.0873
4-methylumbelliferone_R1
4-Methylumbelliferone
ME167299
5280567
-
12.54
177.0549
4-methylumbelliferone_R2
4-Methylumbelliferone
ME167300
5280567
-
8.28
177.0535
4-prenylphlorisovalerophenone_R1
-
ME167301
25200610
-
14.85
279.159
4-prenylphlorisovalerophenone_R2
-
ME167302
25200610
-
13.66
279.159
5-AMINOLEVULINIC ACID
5-Amino-levulinic acid
ME167303
137
-
0.8
132.065
5-hydroxyindole acetate
5-Hydroxyindoleacetic acid
ME167304
5
-
8.56
192.0658
5-methoxyindoleacetaldehyde
5-Methoxyindoleacetaldehyde
ME167305
45479662
-
7.73
190.0846
5-methyl-DL-tryptophan_R1
-
ME167306
5
-
8.71
219.1131
5-methyl-DL-tryptophan_R2
-
ME167307
5
-
0.8
219.113
5-methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME167308
25010757
-
0.79
148.0797
5'-n-propylthioadenosine
-
ME167309
5
-
0.85
326.1269
6-gingerol
Gingerol
ME167310
442793
-
12.88
295.1906
6-methylthiohexylhydroximate
-
ME167311
44237358
-
1.24
194.066
7,8-dihydropterin
7,8-Dihydropterin
ME167312
65260
-
0.76
166.0712
7-hydroxy-2-oxindole-3-acetic-acid_R1
-
ME167313
723
-
8.03
208.0606
7-hydroxy-2-oxindole-3-acetic-acid_R2
-
ME167314
723
-
7.58
208.0607
8-methylthiooctanaldoxime
8-Methylthiooctanaldoxime
ME167315
25010745
-
0.93
190.1268
8-methylthiooctylhydroximate
-
ME167316
44237310
-
0.89
222.0972
9,10-epoxy-12-cis-octadecenoate
-
ME167317
86583477
-
14.73
297.2421
(9Z)-12,13,17-trihydroxyoctadeca-9-enoate_R1
-
ME167268
52940143
-
11.19
331.2483
(9Z)-12,13,17-trihydroxyoctadeca-9-enoate_R2
-
ME167269
52940143
-
11.78
331.2487
(9Z,12E)-octadecadienoate
-
ME167270
25246006
-
16.43
281.2475
acetylcholine
Acetylcholine
ME167318
187
-
0.8
147.1244
Adenine
Adenine
ME167319
190
-
1.63
136.0621
Adenosine
Adenosine
ME167320
60961
-
5.92
268.1041
Adenosine monophosphate
AMP
ME167321
6083
-
1.79
348.0702
ADP
ADP
ME167322
6022
-
0.98
428.0364
albaflavenone_R1
Albaflavenone
ME167323
25137938
-
14.43
219.1746
albaflavenone_R2
Albaflavenone
ME167324
25137938
-
15.92
219.1745
allantoate
Allantoic acid
ME167325
5287444
-
0.83
177.0619
ALLANTOIN
Allantoin
ME167326
204
-
0.86
159.0514
allylcysteine
S-Allylcysteine
ME167327
23437571
-
3.01
162.0585
ALPHA-AMINOADIPATE
Aminoadipic acid
ME167328
92136
-
0.89
162.0762
alpha-ethyl-L-glutamate
-
ME167259
-
-
1.2
176.0921
alpha-methyl-tyrosine
Metyrosine
ME167260
-
-
7.28
196.0971
aminoethoxyvinylglycine
-
ME167329
6436272
-
0.89
161.0924
ammeline
Ammeline
ME167330
12583
-
7.13
128.0548
Arginine
Arginine
ME167331
6322
-
0.76
175.1193
Aspartic acid
Aspartic acid
ME167332
5960
-
0.77
134.0451
benzoate
Benzoic acid
ME167333
242
-
3.54
123.0446
benzylisothiocyanate
Benzyl isothiocyanate
ME167334
2346
-
6.68
150.0383
bergapten
Bergapten
ME167335
5
-
7.93
217.0509
BETA-ALANINE
beta-Alanine
ME167336
239
-
0.78
90.0557
beta-eudesmol
beta-Eudesmol
ME167261
-
-
15.37
223.2057
BETAINE
Betaine
ME167337
247
-
0.91
118.0867
betalamate
-
ME167338
25246067
-
1
212.054
Caffeine-D3
Caffeine
ME167339
13001298
-
8
198.1065
CDP
CDP
ME167340
6132
-
0.87
404.0251
CITRATE
Citric acid
ME167341
311
-
2.02
215.0165
CITRULLINE
Citrulline
ME167342
9750
-
0.84
176.1033
CMP
CMP
ME167343
6131
-
0.92
324.0591
coniferyl alcohol
Coniferyl alcohol
ME167344
1549095
-
7.12
181.0861
coumarin_R1
Coumarin
ME167345
323
-
8.92
147.0442
coumarin_R2
Coumarin
ME167346
323
-
7.03
147.0442
crepenynate
-
ME167347
5461139
-
15.62
279.2318
cycloheptadienyl_R1
-
ME167348
44123451
-
9.28
225.0757
cycloheptadienyl_R2
-
ME167349
44123451
-
8.31
225.0757
CYS-GLY
Cys-Gly
ME167350
439498
-
0.89
179.0488
CYTOSINE
Cytosine
ME167351
597
-
0.89
112.051
D-(+)-GLUCOSAMINE
Glucosamine
ME167352
439213
-
0.82
180.0869
D-GLUCOSE-6-PHOSPHATE
Glucose 6-phosphate
ME167353
5958
-
0.9
261.0373
D-glucurono-6,3-lactone
Glucuronolactone
ME167354
92283
-
1.24
177.0382
D-glyceraldehyde
Glyceraldehyde
ME167355
79014
-
5.47
91.0397
DIETHANOLAMINE
Diethanolamine
ME167356
8113
-
0.79
106.0868
dihydrocoumarin
3,4-Dihydro-2H-1-benzopyran-2-one
ME167357
660
-
13.69
149.0601
dihydrosanguinarine
Dihydrosanguinarine
ME167358
124069
-
10.88
334.1081
DIMBOA
2,4-Dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
ME167359
2358
-
8.3
212.0554
DIMBOA-beta-D-glucoside
-
ME167360
-
-
8.33
374.1084
dioxindole-3-acetyl-3-O-beta-glucose
-
ME167361
25244878
-
7.6
370.1135
dithiothreitol
D-1,4-Dithiothreitol
ME167362
446094
-
2.03
155.02
D-ribulose
D-Ribulose
ME167363
151261
-
1.5
151.062
D-sorbitol
Sorbitol
ME167365
5780
-
3.56
183.0849
D-SORBITOL
Sorbitol
ME167364
5780
-
0.8
205.0686
ethiin
Ethiin
ME167366
146416
-
0.84
166.0535
ethionine
L-Ethionine
ME167367
25674
-
6.65
164.0728
ethyleneglycol-P
-
ME167368
12691400
-
2.02
143.0104
gamma-glutamyl-ethylamide
-
ME167262
-
-
0.9
175.1079
gamma-glutamyl-isopropylamide
-
ME167263
-
-
1.38
189.1234
germacra-1(10),4,11(13)-trien-12-oate
-
ME167369
25245824
-
14.34
235.1694
Glutamine
Glutamine
ME167370
5961
-
0.79
147.0767
glutathione
Glutathione
ME167371
124886
-
1.68
308.0914
GLYCINE
Glycine
ME167372
750
-
0.78
76.0401
guanine
Guanine
ME167374
764
-
6.38
152.057
GUANINE
Guanine
ME167373
764
-
1.6
152.0563
Guanosine
Guanosine
ME167375
6802
-
6.38
284.0987
Guanosine monophosphate
GMP
ME167376
6804
-
2.08
364.0651
Histidine
Histidine
ME167377
6274
-
0.76
156.0771
homoarginine
Homoarginine
ME167378
9085
-
0.84
189.1346
homomethionine
Homomethionine
ME167379
11298145
-
0.75
164.0742
hypusine
Hypusine
ME167380
65396
-
0.75
234.1813
indole-3-acetate_R1
Indoleacetic acid
ME167381
802
-
9.97
176.0707
indole-3-acetate_R2
Indoleacetic acid
ME167382
802
-
8.01
176.0706
indole-3-acetate_R3
Indoleacetic acid
ME167383
802
-
7.88
176.0708
indole-3-acetyl-L-aspartate
Indole-3-acetyl-aspartic acid
ME167384
6921620
-
8.85
291.0975
indole-3-acetyl-N-beta-D-glucose
Indole-3-acetyl-N-beta-D-glucose
ME167385
25203545
-
7.86
338.1238
indole-3-acetyl-tyrosine
-
ME167386
44123409
-
10.07
339.1336
indole-3-carboxylate
Indole-3-carboxylic acid
ME167387
69867
-
7.82
162.0548
ISOCITRIC ACID
Isocitric acid
ME167388
1198
-
1.2
215.0165
L-2-amino-4-oxo-5-chloropentanoate_R1
-
ME167390
25200575
-
1.22
166.0251
L-2-amino-4-oxo-5-chloropentanoate_R2
-
ME167391
25200575
-
2.03
166.0263
L-2-aminoadipate
alpha-Aminoadipic acid
ME167392
92136
-
1.59
162.0762
L-2-PHOSPHOGLYCERIC ACID
2-Phosphoglyceric acid
ME167393
439278
-
0.89
187.0003
L-ASPARAGINE
Asparagine
ME167394
6267
-
0.76
133.0611
lathyrine
Lathyrine
ME167395
166766
-
0.8
183.0867
L-beta-phenylalanine
-
ME167389
-
-
6.36
166.0865
L-dehydro-ascorbate_R1
Dehydroascorbic acid
ME167396
15558810
-
2.02
175.024
L-dehydro-ascorbate_R2
Dehydroascorbic acid
ME167397
15558810
-
1.17
175.0241
L-dopachrome
Dopachrome
ME167398
46173181
-
8.3
194.0447
Leucine-D10
Leucine
ME167399
-
-
2.58
142.1649
L-glutamate-5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME167400
193305
-
2.03
132.0659
linoleate
Linoleic acid
ME167401
5280450
-
12.92
281.2478
lipoamide
Lipoamide
ME167402
863
-
1.63
206.0661
L-Isoleucine
Isoleucine
ME167403
6306
-
2.58
132.1023
L-METHIONINE
Methionine
ME167404
6137
-
1.5
150.0587
L-pipecolate
Pipecolic acid
ME167405
439227
-
0.72
130.0865
L-quinate
Quinic acid
ME167406
6508
-
8.55
193.0691
L-SERINE
Serine
ME167407
5951
-
0.76
106.0505
MANNOSE
Mannose
ME167408
18950
-
0.81
203.0529
melilotate
3-(2-Hydroxyphenyl)propanoic acid
ME167409
873
-
13.52
167.0708
methionol
3-(Methylthio)-1-propanol
ME167410
10448
-
0.76
107.0538
methyl (indol-3-yl)acetate
Indole-3-methyl acetate
ME167411
74706
-
11.56
190.0866
methylsuccinate
Methylsuccinic acid
ME167412
10349
-
0.89
133.0497
mugineate
-
ME167413
45266663
-
0.79
321.1289
N-ACETYLPUTRESCINE
N-Acetylputrescine
ME167415
122356
-
1.21
131.1182
N-amino DAP
N-Dimethylethanolamine phosphate
ME167416
25201959
-
9.08
206.1152
N-dimethylethanolamine phosphate
N-Dimethylethanolamine phosphate
ME167417
25201906
-
0.78
170.0585
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE
N-6-Trimethyllysine
ME167418
440120
-
0.77
189.1599
nicotinamide
Niacinamide
ME167419
936
-
3.79
123.0557
NICOTINATE
Nicotinic acid
ME167420
938
-
1.5
124.0397
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME167421
22880
-
0.82
148.0607
norfuraneol
Norfuraneol
ME167422
4564493
-
0.89
115.0395
N(PAI)-METHYL-L-HISTIDINE
3-Methylhistidine
ME167414
64969
-
0.79
170.0926
octanal_R1
Caprylaldehyde
ME167423
454
-
12.5
129.1279
octanal_R2
Caprylaldehyde
ME167424
454
-
9.12
129.1278
O-feruloylquinate_R1
-
ME167425
-
-
8.21
369.1178
O-feruloylquinate_R2
-
ME167426
-
-
8.72
369.1178
omega-hydroxylaurate
-
ME167264
-
-
12.71
217.1803
penicillamine
Penicillamine
ME167427
5852
-
1.81
150.0581
phaseic acid
Phaseic acid
ME167428
5281527
-
12.87
281.1383
phlorisovalerophenone
4-Heptanone
ME167429
31246
-
9.89
211.0966
phosphate
Phosphoric acid
ME167430
1061
-
0.91
98.9848
PHOSPHOCHOLINE
Choline phosphate
ME167432
1014
-
0.79
184.0735
PHOSPHO(ENOL)PYRUVIC ACID
Phosphoenolpyruvic acid
ME167431
1005
-
0.88
168.9897
phytosphingosine
Phytosphingosine
ME167433
122121
-
12.95
318.3
PIPECOLATE
Pipecolic acid
ME167434
439227
-
1.32
130.0867
piperidine
Piperidine
ME167435
8082
-
2.36
86.0972
Proline
Proline
ME167436
614
-
0.89
116.0712
pseudobaptigenin
Pseudobaptigenin
ME167437
5281805
-
8.16
283.0592
PYRIDOXAL
Pyridoxal
ME167438
1050
-
1.99
168.0658
pyruvate
Pyruvic acid
ME167439
107735
-
1.13
89.0241
QUINATE
Quinic acid
ME167440
6508
-
0.85
193.0694
(R)-MALATE
D-Malic acid
ME167271
92824
-
1.13
157.0111
S-(5'-ADENOSYL)-L-METHIONINE
S-Adenosylmethionine
ME167441
34755
-
0.88
399.1441
S-5-methylthiopentylhydroximoyl-L-cysteine
-
ME167442
44237267
-
8.13
267.0848
S-8-methylthiooctylhydroximoyl-L-cysteine
-
ME167443
44237198
-
11.93
309.131
scoparone_R1
Scoparone
ME167444
8417
-
9.27
207.0652
scoparone_R2
Scoparone
ME167445
8417
-
8.31
207.0654
sinapyl-alcohol
Sinapyl alcohol
ME167446
5280507
-
7.28
211.0963
SN-GLYCEROL 3-PHOSPHATE
sn-Glycero-3-phosphate
ME167447
439162
-
0.83
173.0227
succinate
Succinic acid
ME167448
160419
-
2.41
119.0343
SUCCINATE
Succinic acid
ME167449
1110
-
2.38
141.0159
SUCROSE
Sucrose
ME167450
5988
-
0.93
365.1059
Threonine
Threonine
ME167451
6288
-
0.79
120.0659
TRANS-ACONITATE
trans-Aconitic acid
ME167452
444212
-
3.37
197.0057
TRANS-CINNAMATE
trans-Cinnamic acid
ME167453
444539
-
9.88
149.06
Tryptophan
Tryptophan
ME167454
6305
-
7.73
205.0973
Tryptophan-2,3,3-D3
Tryptophan
ME167455
-
-
7.73
208.1161
Tryptophan-2,3,3-D3-NH3
Tryptophan
ME167456
-
-
7.73
191.0895
Tryptophan-NH3
Tryptophan
ME167457
-
-
7.73
188.0709
Tyrosine
Tyrosine
ME167458
6057
-
3.56
182.0816
uracil
Uracil
ME167459
1174
-
3.01
113.0352
URACIL
Uracil
ME167460
1174
-
1.51
113.0352
Urate
Uric acid
ME167461
1175
-
1.98
169.0359
Uridine 5'-diphosphate
UDP
ME167462
6031
-
0.9
405.0092
Uridine 5'-monophosphate
UMP
ME167463
6030
-
1.34
325.0435
UROCANATE
Urocanic acid
ME167464
736715
-
2.13
139.0504
Valine
Valine
ME167465
6287
-
1.18
118.0868
vanillyl mandelate_R1
Vanillylmandelic acid
ME167466
6931438
-
7.68
199.0602
vanillyl mandelate_R2
Vanillylmandelic acid
ME167467
6931438
-
8.5
199.0601
Analysis: HPLC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
1,3-dioctanoylglycerol_R1
-
ME167472
150911
-
10.64
329.233
1,3-dioctanoylglycerol_R2
-
ME167473
150911
-
11.18
329.233
1,3-dioctanoylglycerol_R3
-
ME167474
150911
-
11.78
329.2329
15-hydroxysolavetivone
15-Hydroxysolavetivone
ME167475
25200393
-
14.33
233.1544
1-O-vanilloyl-beta-D-glucose_R1
1-O-Vanilloyl-beta-D-glucose
ME167476
-
-
7.18
329.0872
1-O-vanilloyl-beta-D-glucose_R2
1-O-Vanilloyl-beta-D-glucose
ME167477
-
-
7.53
329.0871
2,4',5,7-tetrahydroxyisoflavanone_R1
2-Hydroxy-2,3-dihydrogenistein
ME167478
443902
-
9.98
287.0558
2,4',5,7-tetrahydroxyisoflavanone_R2
2,5,7-Trihydroxy-4'-methoxyisoflavanone
ME167479
443902
-
10.59
287.0558
2,5,7-trihydroxy-4'-methoxyisoflavanone
2,5,7-Trihydroxy-4'-methoxyisoflavanone
ME167480
25203448
-
11.34
301.0718
2,5-DIHYDROXYBENZOATE
Gentisic acid
ME167481
3469
-
7.58
153.0191
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R1
-
ME167482
-
-
7.57
315.072
2,5-dihydroxybenzoate 5-O-beta-D-glucoside_R2
-
ME167483
-
-
7.11
315.0719
2-alpha-D-glucosyl-D-glucose [M+Cl]-
-
ME167484
-
-
0.89
377.0856
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R1
-
ME167485
2
-
0.8
276.9886
2-C-methyl-D-erythritol-2,4-cyclodiphosphate_R2
-
ME167486
2
-
0.83
276.9885
2-deoxy-alpha-D-ribose 1-phosphate
Deoxyribose 1-phosphate
ME167487
-
-
11.29
213.015
2-deoxy-D-galactose (fructose/glucose)
-
ME167488
-
-
0.97
163.0609
2'-deoxyribose
-
ME167489
2
-
1.59
133.0506
2-hydroxy-3-nitropropionate
-
ME167490
78448633
-
1.01
135.0183
2-hydroxy-5-methylquinone_R1
-
ME167491
69212
-
8.03
137.0243
2-hydroxy-5-methylquinone_R2
-
ME167492
69212
-
10.09
137.0243
2-isopropylmaleate
Isopropylmaleate
ME167493
5280533
-
8.08
157.0503
2-oxindole-3-acetyl-L-aspartate
-
ME167494
23
-
7.94
305.0777
2-oxoadipate
Oxoadipic acid
ME167495
2
-
1.85
159.0298
2-oxo-indole-3-acetate
-
ME167496
23
-
8.55
190.0509
2-oxopent-4-enoate
-
ME167497
9543147
-
0.81
113.0243
2-oxopenta-3,4-dienoate
-
ME167498
25203760
-
2.03
111.0085
3,5-dihydroxybenzoate
m-Cresol
ME167499
54706645
-
9.04
153.0191
3-carboxy-4-methoxy-N-methyl-2-pyridone
m-Cresol
ME167500
342
-
6.42
182.0459
3-hydroxy-2-oxo-indole-3-acetate
-
ME167501
25202316
-
8.02
206.0457
3-hydroxypropionaldehyde
3-Hydroxypropanal
ME167502
75049
-
2.39
73.0288
3-methylthiopropyl-glucosinolate
-
ME167503
3
-
2.02
406.0321
4-amino-2-methyl-5-phosphomethylpyrimidine
4-Amino-2-methyl-5-phosphomethylpyrimidine
ME167507
25244846
-
0.8
218.0328
4-(beta-D-glucosyloxy)benzoate_R1
-
ME167504
-
-
6.66
299.0767
4-(beta-D-glucosyloxy)benzoate_R2
-
ME167505
-
-
7.28
299.077
4-(beta-D-glucosyloxy)benzoate_R3
-
ME167506
-
-
7.63
299.0768
4-hydroxybenzaldehyde
4-Hydroxybenzaldehyde
ME167508
4
-
8.66
121.0295
4-hydroxyphenylpyruvate
4-Hydroxyphenylpyruvic acid
ME167509
979
-
8.44
179.0348
4-methylthiobutanaldoxime
4-Methylthiobutanaldoxime
ME167510
3
-
0.78
132.0486
4-methylumbelliferyl glucoside
-
ME167511
2733779
-
7.93
337.0926
4-nitrophenyl phosphate
4-Nitrophenyl phosphate
ME167512
378
-
0.78
218.9941
4-prenylphlorisovalerophenone_R1
-
ME167513
25200610
-
13.65
277.1437
4-prenylphlorisovalerophenone_R2
-
ME167514
25200610
-
13.03
277.1438
5-amino-6-(5-phospho-D-ribosylamino)uracil
D-Ribofuranosylamine 5-phosphate
ME167515
25245199
-
8.39
353.0513
5-hydroxytryptophol glucuronide_R1
5-Hydroxytryptophol glucuronide
ME167516
-
-
7.9
352.1032
5-hydroxytryptophol glucuronide_R2
5-Hydroxytryptophol glucuronide
ME167517
-
-
8.02
352.1032
5-methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME167518
25010757
-
0.79
146.0649
5-OXO-L-PROLINE
Pyroglutamic acid
ME167519
7405
-
1.9
128.0354
6-diazo-5-oxonorleucine
-
ME167520
25246179
-
8.87
171.0661
6-gingerol_R1
Gingerol
ME167521
442793
-
12.21
293.1753
6-gingerol_R2
Gingerol
ME167522
442793
-
12.87
293.1753
6-PHOSPHOGLUCONIC ACID
6-Phosphogluconic acid
ME167523
91493
-
0.9
275.0193
7-hydroxy-2-oxindole-3-acetate glucoside
7-Methylthioheptyl-desulfoglucosinolate
ME167524
723
-
7.59
368.0983
7-methylthioheptyldesulfoglucosinolate
7-Methylthioheptyl-desulfoglucosinolate
ME167525
90657713
-
0.88
382.1347
7-methylxanthine
7-Methylxanthine
ME167526
7
-
0.82
165.0403
9,10-epoxy-12-cis-octadecenoate_R1
-
ME167527
86583477
-
14.73
295.2271
9,10-epoxy-12-cis-octadecenoate_R2
-
ME167528
86583477
-
13.71
295.2272
(9R,10S)-dihydroxystearate
-
ME167470
25201835
-
12.89
315.2541
acetoacetate
Acetoacetic acid
ME167529
3
-
0.81
101.024
acetylmaltose_R1
Acetyl-maltose
ME167530
439660
-
7.85
383.1179
acetylmaltose_R2
Acetyl-maltose
ME167531
439660
-
8.17
383.118
Adenine
Adenine
ME167532
190
-
1.62
134.0471
adenosine 3',5'-bisphosphate
-
ME167533
35
-
1.22
426.0218
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME167534
6083
-
1.8
346.0549
adenylo-succinate
Adenylsuccinic acid
ME167535
46878398
-
6.58
462.0663
adipate
Adipic acid
ME167536
200164
-
7.17
145.0505
ALLANTOIN
Allantoin
ME167537
204
-
0.85
157.0367
allicin
Allicin
ME167538
65036
-
2.16
161.0089
ALPHA-AMINOADIPATE
Aminoadipic acid
ME167539
92136
-
0.87
160.0615
ALPHA-KETOGLUTARIC ACID
2-Oxoglutaric acid
ME167540
51
-
1.37
145.014
alpha-ketol
-
ME167468
-
-
13.17
311.2226
alpha-methyl-tyrosine
Metyrosine
ME167469
-
-
13.4
194.0818
Arginine
Arginine
ME167541
6322
-
0.76
173.1043
Aspartic acid
Aspartic acid
ME167542
5960
-
0.78
132.0303
benzyladenine
Cytokinin B
ME167543
62389
-
13.28
224.0926
benzylglucosinolate
-
ME167544
21600402
-
12.45
408.0421
BETA-ALANINE
beta-Alanine
ME167545
239
-
0.78
88.0399
CITRATE
Citric acid
ME167546
311
-
2.02
191.0195
cycloheptadienyl
-
ME167547
44123451
-
9.28
223.0611
CYTIDINE 5'-DIPHOSPHATE
CDP
ME167548
6132
-
0.87
402.0097
D-(-)-3-PHOSPHOGLYCERIC ACID_R1
3-Phosphoglyceric acid
ME167549
724
-
0.79
184.9855
D-(-)-3-PHOSPHOGLYCERIC ACID_R2
3-Phosphoglyceric acid
ME167550
724
-
0.81
184.9855
D-(-)-ARABINOSE
Arabinose
ME167551
66308
-
0.9
149.0452
D-galacto-hexodialdose
Galacto-hexodialdose
ME167553
439962
-
1.85
177.0402
D-glucurono-6,3-lactone
Glucuronolactone
ME167554
92283
-
1.3
175.0244
D-GLUCURONOLACTONE
Glucuronolactone
ME167555
92283
-
0.8
193.0352
dihydroconiferyl alcohol glucoside
Dihydroconiferyl alcohol glucoside
ME167556
14427336
-
9.12
343.1396
dihydroconiferyl aldehyde
Dihydroconiferyl aldehyde
ME167557
529899
-
11.23
179.0712
DIMBOA-beta-D-glucoside_R1
-
ME167558
-
-
7.57
372.0923
DIMBOA-beta-D-glucoside_R2
-
ME167559
-
-
8.32
372.0927
diphosphate
Pyrophosphate
ME167560
644102
-
0.77
176.9358
diphyllin
Diphyllin
ME167561
100492
-
0.89
379.0816
DL-3-aminobutyrate
-
ME167562
25201443
-
0.81
102.0558
D-(+)-RAFFINOSE
Raffinose
ME167552
439242
-
0.88
503.1617
D-RIBOSE 5-PHOSPHATE
Ribose 5-phosphate
ME167563
439167
-
0.79
229.0115
D-SACCHARIC ACID
Glucaric acid
ME167564
33037
-
0.81
209.0303
D-SORBITOL
Sorbitol
ME167565
5780
-
0.79
181.0714
D-xylonolactone
D-Xylono-1,5-lactone
ME167566
439692
-
1.54
147.0298
ethylnitronate
Ethylnitronate
ME167567
-
-
0.77
74.0241
Fructose 1,6-bisphosphate
Fructose 1,6-bisphosphate
ME167568
10267
-
0.72
338.9887
GDP-beta-L-fucose
GDP-beta-L-fucose
ME167569
-
-
1.2
588.0739
GLUCONIC ACID
Gluconic acid
ME167570
10690
-
0.79
195.051
Glucose 6-phosphate/Fructose 6-phosphate
Glucose 6-phosphate
ME167571
-
-
0.78
259.0224
Glucose/Fructose [M+Cl]-
Hexose
ME167572
-
-
0.8
215.0329
Glutamine
Glutamine
ME167573
5961
-
0.78
145.0617
glutarate
Glutaric acid
ME167574
743
-
0.81
131.0349
glutarate semialdehyde
Glutarate semialdehyde
ME167575
439963
-
3.09
115.04
GLUTATHIONE
Glutathione
ME167576
124886
-
1.69
306.0759
Glyceraldehyde
Glyceraldehyde
ME167577
751
-
0.81
89.024
GLYCERALDEHYDE
Glyceraldehyde
ME167578
751
-
1.3
89.024
GLYCERATE
Glyceric acid
ME167579
439194
-
0.9
105.019
GLYCEROL 2-PHOSPHATE
sn-Glycero-2-phosphate
ME167580
2526
-
0.79
171.0062
glycerophosphoglycerol
sn-Glycero-3-phosphoglycerol
ME167581
439964
-
0.8
245.0427
GLYCOLATE
Glycolic acid
ME167582
757
-
1.12
75.008
GMP
GMP
ME167583
6804
-
2.1
362.0507
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester)...
-
ME167584
-
-
7.86
546.1726
GMP-N-epsilon-(N-alpha-acetyl lysine methyl ester)...
-
ME167585
-
-
8.11
546.1726
gossypol-6,6'-dimethyl ether
-
ME167586
25200979
-
0.87
545.2203
GUANINE
Guanine
ME167587
764
-
1.58
150.0413
Guanosine
Guanosine
ME167588
6802
-
6.37
282.0839
Histidine
Histidine
ME167589
6274
-
0.76
154.0621
homogentisate
Homogentisic acid
ME167590
780
-
9.14
167.0348
HOMOVANILLATE
Homovanillic acid
ME167591
1738
-
7.58
181.0506
indole-3-acetyl-L-aspartate
Indole-3-acetyl-aspartic acid
ME167592
6921620
-
8.84
289.0823
indole-3-carbinol
Indole-3-carbinol
ME167593
3712
-
8.55
146.0611
inosine
Inosine
ME167595
6021
-
6.26
267.0731
Inosine
Inosine
ME167594
6021
-
0.88
267.0719
ISOCITRIC ACID
Isocitric acid
ME167596
1198
-
1.04
191.0194
L-2-aminoadipate
alpha-Aminoadipic acid
ME167597
92136
-
1.67
160.0615
L-ASPARAGINE
Asparagine
ME167598
6267
-
0.77
131.0462
linoleate
Linoleic acid
ME167599
5280450
-
16.41
279.233
L-METHIONINE
Methionine
ME167600
6137
-
1.49
148.0437
L-SERINE
Serine
ME167601
5951
-
0.76
104.035
L-threonate
Threonic acid
ME167602
21145021
-
0.84
135.0299
MALEIC ACID
Maleic acid
ME167603
444266
-
2.17
115.0034
METHYL BETA-D-GALACTOSIDE
Methyl beta-D-galactoside
ME167604
94214
-
0.9
193.0715
MEVALOLACTONE
Mevalolactone
ME167605
10428
-
2.3
147.0662
mugineate
-
ME167606
45266663
-
0.79
319.1145
MYO-INOSITOL
Myo-inositol
ME167607
892
-
0.82
179.0558
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME167608
22880
-
0.81
146.0456
O-feruloylquinate_R1
-
ME167609
-
-
8.11
367.103
O-feruloylquinate_R2
-
ME167610
-
-
8.61
367.1031
oxalosuccinate
Oxalosuccinic acid
ME167611
972
-
0.91
189.0041
penicillin N
Penicillin N
ME167612
71724
-
0.84
358.1069
phenoxy radical VIII
-
ME167613
13815501
-
11.24
271.0613
phlorisovalerophenone
4-Heptanone
ME167614
31246
-
8.6
209.082
phosphate_R1
Phosphoric acid
ME167615
1061
-
0.77
96.9692
phosphate_R2
Phosphoric acid
ME167616
1061
-
0.82
96.9684
phthalate
Phthalic acid
ME167617
181977
-
8.21
165.0192
pimelate
Pimelic acid
ME167618
385
-
7.97
159.066
pyrimidin-2-one-ribonucleoside
-
ME167619
100016
-
0.81
227.0657
QUINATE
Quinic acid
ME167620
6508
-
0.87
191.0558
rishitin
Rishitin
ME167621
108064
-
14.09
221.1547
(R)-MALATE
D-Malic acid
ME167471
92824
-
1.01
133.0142
scopolin
Scopolin
ME167622
439514
-
7.59
353.0874
SHIKIMATE
Shikimic acid
ME167623
8742
-
1.11
173.0455
sinapaldehyde glucoside
Sinapaldehyde glucoside
ME167624
25244544
-
0.81
369.1209
suberate
Suberic acid
ME167625
5249080
-
8.67
173.0816
SUCCINATE
Succinic acid
ME167626
1110
-
2.4
117.0193
SUCROSE
Sucrose
ME167627
5988
-
0.87
341.1079
Threonine
Threonine
ME167628
6288
-
0.79
118.0509
TRIBOA
TRIBOA
ME167629
10965465
-
10.38
196.0249
triketide pyrone
-
ME167630
44237250
-
10.64
181.087
Tyrosine
Tyrosine
ME167631
6057
-
3.54
180.0662
UDP
UDP
ME167632
6031
-
0.9
402.994
UDP-alpha-D-galactose
-
ME167633
-
-
0.86
565.0475
UMP
UMP
ME167634
6030
-
1.34
323.0283
Urate
Uric acid
ME167635
1175
-
1.97
167.0207
URIDINE
Uridine
ME167636
6029
-
3
243.062
XANTHINE
Xanthine
ME167637
1188
-
2.65
151.0261
XYLITOL
Xylitol
ME167638
6912
-
0.81
151.061
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel