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 ST000286 main page
Analysis: ESI Positive ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
2-Methylpropanamine
-
ME103112
6558
C02787
0.01
74.0972
2-Thiophenesulfonamide
-
ME103116
72881
C14764
0.04
163.9839
3-Phosphonooxypyruvate
Phosphohydroxypyruvic acid
ME103130
5460375
C03232
0.04
184.9858
Acetyl phosphate
Acetylphosphate
ME103163
186
C00227
0.04
140.996
2,2-Dichloro-1,1-ethanediol_3
-
ME103094
85275
C14860
0.14
130.966
Fluoroacetate
Fluoroacetic acid
ME103262
5236
C06108
0.35
79.0186
sym-Homospermidine
-
ME103401
368
C06366
0.53
160.1809
3-Chloro-D-alanine
3-Chloro-D-alanine
ME103124
439771
C02634
0.54
124.0152
PUTRESCINE
Putrescine
ME103388
1045
C00134
0.59
89.108
Toxyl angelate
Toxyl angelate
ME103408
11953921
C08981
0.6
301.1423
Harmalol
Harmalol
ME103278
5353656
C06537
0.62
201.1006
Calystegin B2
Calystegin B2
ME103201
443000
C10851
0.63
176.092
Taurine
Taurine
ME103403
1123
C00245
0.64
126.0232
4-Aminobutyraldehyde_4
4-Aminobutyraldehyde
ME103138
118
C00555
0.66
88.0763
Pentadecane
Pentadecane
ME103360
12391
C08388
0.66
213.2568
L-LYSINE
Lysine
ME103301
5962
C00047
0.68
147.113
2,5-Dichloro-4-oxohex-2-enedioate
2,5-Dichloro-4-oxohex-2-enedioate
ME103098
5282172
C12835
0.71
226.9512
Creatine
Creatine
ME103211
586
C00300
0.71
132.077
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furano...
-
ME103123
53665
C19205
0.73
216.9206
Debrisoquin_1
Debrisoquine
ME103224
2966
C13650
0.74
176.1183
L-ARGININE
Arginine
ME103292
6322
C00062
0.74
175.1192
L-Cystine
Cystine
ME103295
67678
C00491
0.74
241.0309
L-HISTIDINE
Histidine
ME103298
6274
C00135
0.74
156.0769
Pentylenetetrazole_1
Pentylenetetrazole
ME103362
5917
C13692
0.74
139.098
AGMATINE SULFATE
Agmatine
ME103168
199
C00179
0.76
131.1295
GLYCINE
Glycine
ME103271
750
C00037
0.76
76.0401
5-Methylthiopentanaldoxime
5-Methylthiopentanaldoxime
ME103155
25010757
C17245
0.78
148.0799
BETA-ALANINE
beta-Alanine
ME103183
239
C00099
0.78
90.0557
Histamine
Histamine
ME103284
774
C00388
0.78
112.0873
L-GLUTAMINE
Glutamine
ME103297
5961
C00064
0.78
147.0766
(R)-Mevalonate
Mevalonic acid
ME103069
439230
C00418
0.78
149.0822
1,2,3-Trihydroxybenzene_1
1,2,3-Trihydroxybenzene
ME103072
1057
C01108
0.79
127.0393
2,3-Dimethylmaleate
Dimethyl maleate
ME103097
3032309
C00922
0.79
145.0497
2-Hydroxymethylclavam
-
ME103110
3050259
C17357
0.79
144.0657
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME103143
439778
C02648
0.79
85.0291
DIETHANOLAMINE
Diethanolamine
ME103234
8113
C06772
0.79
106.0867
Protoanemonin
Protoanemonin
ME103386
66948
C07090
0.79
97.0291
D-MANNOSAMINE
2-Amino-2-deoxy-D-mannose
ME103246
440049
-
0.8
180.0867
Lichenin
Lichenin
ME103299
439241
C00478
0.8
163.0602
MANNOSE
Mannose
ME103312
18950
C00159
0.8
203.0528
Phenylacetaldehyde_1
Phenylacetaldehyde
ME103369
998
C00601
0.8
121.0653
L-THREONINE
Threonine
ME103308
6288
C00188
0.81
120.0659
2-Hydroxy-2,4-pentadienoate_1
2-Hydroxypenta-2,4-dienoic acid
ME103106
54675827
C00596
0.82
115.0389
4-Methylene-L-glutamine
4-Methylene-glutamine
ME103146
439401
C01109
0.82
159.0766
N-METHYL-D-ASPARTIC ACID
N-Methyl-D-aspartic acid
ME103337
22880
C12269
0.82
148.0606
3-Methyl-2-oxobutanoic acid_1
Ketoisovaleric acid
ME103127
49
C00141
0.83
117.055
Acridine
Acridine
ME103165
9215
C20141
0.83
180.0812
D-(-)-ARABINOSE
Arabinose
ME103222
66308
-
0.83
173.0421
D-Xylonate
Xylonic acid
ME103250
5460056
C00502
0.83
167.0566
L-Methionine S-oxide
Methionine sulfoxide
ME103303
158980
C02989
0.83
166.0535
4-AMINOBUTANOATE
gamma-Aminobutyric acid
ME103134
119
C00334
0.84
104.0712
CITRULLINE
Citrulline
ME103209
9750
C00327
0.84
174.0874
1,2,6-Hexanetriol_2
-
ME103075
7823
C20334
0.85
135.1018
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME103326
656979
C15532
0.87
218.1129
Thiofanox
-
ME103405
38235
C18652
0.89
219.1168
6-DEOXY-L-GALACTOSE
D-Fucose
ME103158
17106
C01019
0.9
187.0578
N-Acetylputrescine
N-Acetylputrescine
ME103328
122356
C02714
0.9
131.1182
L-PROLINE
Proline
ME103307
145742
C00148
0.92
116.071
5,6-Dihydrothymine
Dihydrothymine
ME103149
93556
C00906
0.94
129.0662
5-Aminopentanamide
5-Aminopentanamide
ME103153
439358
C00990
0.94
117.1027
Methylguanidine
Methylguanidine
ME103319
10111
C02294
0.95
74.0721
4-Amino-2-hydroxylamino-6-nitrotoluene
-
ME103133
9543061
C16403
0.96
184.0727
Creatinine
Creatinine
ME103213
588
C00791
0.96
112.0511
N-Acetylserotonin
N-Acetylserotonin
ME103329
903
C00978
0.96
219.1113
N1-Acetylspermidine
N1-Acetylspermidine
ME103323
496
C00612
0.97
188.1759
N,N'-Diethylthiourea
-
ME103322
2735009
C19400
0.97
133.0792
CREATININE
Creatinine
ME103212
588
C00791
1.01
114.0666
Elaeokanine C
Elaeokanine C
ME103251
442855
C10592
10.13
212.1646
(+)-Bornane-2,5-dione
Bornane-2,5-dione
ME103060
20218
C03037
10.34
167.1068
L-CARNITINE
Carnitine
ME103293
288
-
1.04
162.1124
Trimethylamine N-oxide
Trimethylamine N-oxide
ME103412
1145
C01104
1.04
76.0765
Mandipropamid
-
ME103311
11292824
C18522
10.46
412.1324
Hetacillin
Hetacillin
ME103280
443387
C11729
10.51
390.1497
Saphenic acid methyl ester
Saphenic acid methyl ester
ME103396
443634
C12118
10.52
283.1077
beta-Carboline
beta-Carboline
ME103184
64961
C20157
10.56
169.0756
Orthophosphate_4
Phosphoric acid
ME103351
-
C00009
10.56
98.9849
Butabarbital
Butabarbital
ME103194
2479
C07827
1.06
213.1224
(+)-Camphor
Camphor
ME103061
2537
C00808
10.6
153.1276
Menadiol
Menadiol
ME103316
10209
C07126
10.62
175.0755
Ornaline
Nopalinic acid
ME103347
4474580
C01683
10.62
263.1254
Traumatic acid
Traumatic acid
ME103411
5283028
C16308
10.62
229.1434
Phenylethyl alcohol
2-Phenylethanol
ME103371
6054
C05853
10.64
123.0808
Benzofuran
Benzofuran
ME103178
9223
C14512
10.67
119.0495
Phenyl acetate
Phenyl acetate
ME103368
31229
C00548
10.71
137.0599
2,6-Diamino-7-hydroxy-azelaic acid
-
ME103099
443585
C12025
10.75
235.1307
(3S,5S)-Carbapenam-3-carboxylic acid
(3S,5S)-Carbapenam-3-carboxylic acid
ME103064
6337945
C17367
1.08
156.0649
Cycluron
-
ME103221
16554
C19109
10.8
199.1806
Hercynine
Hercynine
ME103279
5459798
C05575
10.89
199.133
Orthophosphate_2
Phosphoric acid
ME103349
-
C00009
10.94
98.9848
Dihydrosanguinarine
Dihydrosanguinarine
ME103238
124069
C05191
10.95
334.1074
Tos-Lys-CH2Cl
-
ME103407
73094
C00896
10.95
333.104
Cyclopiazonic acid
alpha-Cyclopiazonic acid
ME103220
54682463
C03032
10.98
337.1543
Rabeprazole
Rabeprazole
ME103393
5029
C07864
10.98
360.1398
Tarennoside
Tarennoside
ME103402
182279
C11654
10.98
359.1368
Phenazopyridine
Phenazopyridine
ME103365
4756
C07429
11
214.107
2-Furoate
2-Furoic acid
ME103105
5460151
C01546
1.1
113.0228
4-Acetamidobutanoate
4-Acetamidobutanoic acid
ME103132
6991994
C02946
1.11
146.0814
Cuauhtemone
Cuauhtemone
ME103214
442357
C09645
11.14
253.1796
Dihydroanhydropodorhizol
Yatein
ME103237
442835
C10557
11.15
401.1587
8-Deoxylactucin
Deoxylactucin
ME103161
442196
C09392
11.17
261.1101
Cycasin
Cycasin
ME103215
5459896
C01418
11.17
253.105
9,12,13-TriHOME
9,12,13-TriHOME
ME103162
9858729
C14833
11.19
331.2479
5,6-Dihydrouracil
Dihydrouracil
ME103150
649
C00429
1.12
115.0507
Guanidinoacetate
Guanidoacetic acid
ME103275
763
C00581
1.12
118.0611
2,2,4-Trimethyl-3-(4-fluorophenyl)-2H-1-benzopyran...
-
ME103091
255266
C15056
11.22
327.1416
Jasmone
cis-Jasmone
ME103291
1549018
C08490
11.29
165.1276
N-Acetylornithine
N-Acetylornithine
ME103327
439232
C00437
1.13
175.1077
Orthophosphate_1
Phosphoric acid
ME103348
-
C00009
11.37
98.9848
Lophocerine
Lophocerine
ME103304
442313
C09571
11.42
250.178
(E)-4-(Trimethylammonio)but-2-enoate
(E)-4-(Trimethylammonio)but-2-enoate
ME103068
-
C04114
1.15
144.1021
Dopaquinone
Dopaquinone
ME103249
439316
C00822
11.52
196.0595
Sulfamethazine
Sulfamethazine
ME103400
5327
C19530
11.54
279.0934
Urate-3-ribonucleoside
3-(beta-D-Ribofuranosyl)uric acid
ME103419
-
C05513
11.54
301.0757
Tolbutamide
Tolbutamide
ME103406
5505
C07148
11.61
271.1115
Deidaclin
-
ME103227
73604
C08329
11.63
272.1147
2-Aminoadenosine
2-Aminoadenosine
ME103101
72200
C00939
11.67
283.1177
Orthophosphate_3
Phosphoric acid
ME103350
-
C00009
11.68
98.9848
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate
(S)-1-Piperideine-6-carboxylic acid
ME103071
24771808
C00450
1.17
128.0709
Butanal
Butanal
ME103195
261
C01412
11.72
73.0656
Ferimzone
Ferimzone
ME103260
9013425
C18579
11.79
255.159
Hymexazol O-glucoside
Hymexazol O-glucoside
ME103285
443069
C11102
11.82
262.0913
5-AMINOPENTANOATE
5-Aminopentanoic acid
ME103154
138
C00431
1.19
118.0866
14-Dihydroxycornestin
Cornexistin
ME103082
5281160
C08483
11.94
309.131
Eprosartan
Eprosartan
ME103252
5281037
C07467
11.97
425.1568
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME103085
4484222
C10427
12.03
265.1047
13(S)-HPOT
13S-HpOTrE
ME103081
5497123
C04785
12.08
311.2218
Prosulfocarb
-
ME103385
62020
C18760
1.21
252.1441
Penicillin K
-
ME103359
12314049
C17403
12.14
343.1655
Burseran
Burseran
ME103193
11101102
C10547
12.18
387.1807
Devazepide
Devazepide
ME103228
443375
C11710
12.18
409.1628
Dimetacrine tartrate
-
ME103241
94279
C12959
12.18
445.2336
Linustatin
Linustatin
ME103300
119301
C08333
12.18
410.1656
Buddledin A_2
Buddledin A
ME103191
5281514
C09623
12.24
277.1793
Botrydial
Botrydial
ME103189
185781
C09622
12.3
311.1852
4'-Hydroxy-3'-prenylacetophenone
-
ME103145
442916
C10702
12.35
205.1225
Phenylacetaldehyde_2
Phenylacetaldehyde
ME103370
998
C00601
12.36
121.0652
Salicin
Salicin
ME103395
439503
C01451
12.36
287.1144
Melithiazol A
-
ME103315
23724543
C15696
12.44
423.141
1-Octanal
Caprylaldehyde
ME103088
454
C01545
12.48
129.1277
Trisphaeridine
Trisphaeridine
ME103414
443684
C12182
12.48
224.0724
Terazosin
Terazosin
ME103404
5401
C07127
12.5
388.1963
Beclomethasone
Beclomethasone
ME103176
20469
C06842
12.51
409.1747
1,3,8-Naphthalenertriol
Naphthalene-1,3,8-triol
ME103076
439428
C01173
12.54
177.0547
Probenecid
Probenecid
ME103382
4911
C07372
12.56
286.1111
4-Hexyloxyphenol
-
ME103142
29354
C14305
12.6
195.1383
Dodecanamide
Dodecanamide
ME103247
14256
C13831
12.63
200.201
Prostaglandin B1_2
PGB1
ME103384
5280388
C00959
12.67
337.2348
Fagomine
Fagomine
ME103259
72259
C10144
1.27
148.097
(-)-Menthyl acetate
Menthyl acetate
ME103059
220674
C09870
12.71
199.1694
Phytuberin
Phytuberin
ME103376
442387
C09709
12.89
295.1901
4-Oxocyclohexanecarboxylate
-
ME103147
5460131
C03767
1.31
143.069
L-Cysteate
Cysteic acid
ME103294
72886
C00506
1.31
170.0126
Monodehydroascorbate
-
ME103321
-
C01041
1.31
176.03
Acremoauxin A
Acremoauxin A
ME103164
441556
C08468
13.21
324.142
Methyleugenol
Methyleugenol
ME103318
7127
C10454
13.23
179.1069
cis-1,2-Dihydro-3-ethylcatechol_1
cis-1,2-Dihydro-3-ethylcatechol
ME103206
441155
C06727
13.25
141.0911
Phaseollidin
Phaseollidin
ME103364
119268
C05230
13.26
325.1449
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME103120
15944652
C20199
13.27
239.1275
Xanthan
-
ME103421
7107
C01464
13.33
183.0807
Dinotefuran
Dinotefuran
ME103243
197701
C18509
1.34
203.114
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME103325
128888
C03955
1.34
205.1184
Chlorpromazine N-oxide_1
Chlorpromazine N-oxide
ME103202
443037
C10966
13.43
335.0996
PIPECOLATE
Pipecolic acid
ME103377
849
C00408
1.35
130.0865
3-(2-Hydroxyphenyl)propanoate
3-(2-Hydroxyphenyl)propanoic acid
ME103117
6930705
C01198
13.52
167.0704
Zingerone
Zingerone
ME103425
31211
C17497
13.52
195.1016
1-Palmitoylglycerophosphocholine
LPC 16:0/0:0
ME103089
460602
C04102
13.63
497.3442
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME103104
-
C03343
13.66
279.159
(9Z,11E)-(13S)-13-Hydroperoxyoctadeca-9,11-dienoic...
13S-HpODE
ME103066
5280720
C04717
13.66
313.2365
Phthalate_2
Phthalic acid
ME103375
1017
C01606
13.66
167.0341
Psoralidin
Psoralidin
ME103387
5281806
C10523
13.69
337.1045
Convallasaponin A
-
ME103210
441883
C08893
13.7
581.3669
Militarinone D
Militarinone D
ME103320
54691338
C12332
13.71
422.2365
Tris(butoxyethyl)phosphate
-
ME103413
6540
C14446
13.71
399.2511
17beta-Hydroxy-4,17-dimethyl-4-azaandrost-5-en-3-o...
-
ME103084
235498
C15175
13.8
318.2401
Gentamicin C1a
-
ME103268
72396
C00908
13.87
450.2909
16-Feruloyloxypalmitate
-
ME103083
44237331
C18217
13.88
449.287
Lovastatin
Lovastatin
ME103305
53232
C07074
13.94
405.2617
11beta-17-Dihydroxy-6alpha-methylpregn-4-ene-3,20-...
-
ME103080
243748
C14939
13.96
361.2345
Bensulfuron-methyl
-
ME103177
54960
C10937
14.03
411.0937
Alprazolam
Alprazolam
ME103170
2118
C06817
14.05
309.0921
Glutathione
Glutathione
ME103270
124886
C00051
14.05
308.0886
Bufanolide
Bufanolide
ME103192
115047
C19660
14.11
359.295
1H-Imidazole-4-methanol_1
Imidazole-4-methanol
ME103086
1745
C05562
14.17
99.0559
(+/-)-5-[(tert-Butylamino)-2'-hydroxypropoxy]-1,2,...
-
ME103062
-
C04875
14.32
294.2065
Ostruthin
Ostruthin
ME103352
5281420
C09281
14.32
299.1621
Precocene II
Precocene II
ME103381
12565
C09018
14.32
221.117
Bakkenolide A
Bakkenolide A
ME103175
442173
C09350
14.33
235.1692
alpha-Sinensal
Sinensal
ME103169
5281534
C09729
14.44
219.1745
Oxidized Latia luciferin
4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone
ME103355
519382
C03527
14.47
195.1746
(9Z)-Octadecenoic acid
Oleic acid
ME103065
445639
C00712
14.56
283.2635
Buddledin A_1
Buddledin A
ME103190
5281514
C09623
14.65
277.1785
1H-Imidazole-4-methanol_2
Imidazole-4-methanol
ME103087
1745
C05562
14.66
99.0559
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid
8R-HODE
ME103067
5281117
C08318
14.72
297.2428
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME103103
-
C03343
14.83
279.1588
URACIL
Uracil
ME103418
1174
C00106
1.49
113.035
2-Oxooctadecanoic acid
2-Oxo-octadecanoic acid
ME103114
439332
C00869
15.08
299.2582
Dipropyl disulfide
Dipropyl disulfide
ME103244
12377
C08373
1.54
151.0619
L-METHIONINE
Methionine
ME103302
6137
C00073
1.54
150.0584
Cyclopentanone
Cyclopentanone
ME103219
8452
C00557
1.56
85.0655
Calcitriol
1alpha,25-Dihydroxyvitamin D3
ME103198
5280453
C01673
15.86
417.3358
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
ME103122
439479
C01301
15.88
435.3477
Prostaglandin B1_1
PGB1
ME103383
5280388
C00959
16.18
337.2349
Dodemorph
-
ME103248
61899
C18786
16.19
282.2791
GUANINE
Guanine
ME103276
764
C00242
1.62
152.0559
2,2-Dichloro-1,1-ethanediol_4
-
ME103095
85275
C14860
1.63
130.9657
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME103160
173
C01092
1.63
188.1289
7-Dehydrodesmosterol
7-Dehydro-desmosterol
ME103159
440558
C05107
16.33
383.3312
Paspalinine
-
ME103357
9867531
C20554
16.33
434.2297
Phorbol 13-butanoate
-
ME103372
439882
C03019
16.37
435.2335
ADENINE
Adenine
ME103166
190
C00147
1.65
136.0621
Ethephon
-
ME103254
27982
C18399
16.96
144.9823
Fomepizole
Fomepizole
ME103263
3406
C07837
17.11
83.0611
Cholesterol sulfate
Cholesterol sulfate
ME103204
65076
C18043
17.15
467.3175
Oxethazaine
Oxethazaine
ME103354
4621
C12552
17.17
468.3206
Dimethylbenzimidazole
Dimethylbenzimidazole
ME103242
675
C03114
1.72
147.0917
NICOTINAMIDE
Niacinamide
ME103335
936
C00153
1.74
123.0556
Gyromitrin
Gyromitrin
ME103277
9548611
C08305
17.5
101.0717
Fosetyl
-
ME103264
6328134
C18401
17.51
111.0207
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME103141
500
C01035
1.78
146.0924
4-Guanidinobutanal
4-Guanidinobutanal
ME103140
25200663
C02647
1.79
130.0977
ADENOSINE 5'-MONOPHOSPHATE
AMP
ME103167
6083
C00020
1.79
348.0699
Isobutyronitrile
Isobutyronitrile
ME103289
6559
C02420
1.79
70.0659
3-Sulfocatechol
3-Sulfocatechol
ME103131
9543247
C06336
1.8
191.0004
2-Nitrofuran
2-Nitrofuran
ME103113
11865
C14414
1.95
114.018
Isoniazid
Isoniazid
ME103290
3767
C07054
1.96
138.0653
5-OXO-L-PROLINE
Pyroglutamic acid
ME103156
7405
C01879
1.97
130.0502
Bergapten
Bergapten
ME103182
2355
C01557
1.97
109.0289
N-Phosphohypotaurocyamine
N(omega)-Phosphohypotaurocyamine
ME103342
16019959
C03624
1.97
232.013
Apigenin 7,4'-dimethyl ether
-
ME103171
5281601
C10019
1.99
299.0898
Phthalate_1
Phthalic acid
ME103374
1017
C01606
2
167.034
gamma-Glutamyl-beta-aminopropiononitrile
gamma-Glutamyl-beta-aminopropiononitrile
ME103267
440920
C06114
2.03
200.103
3-Methyl-2-oxobutanoic acid_2
Ketoisovaleric acid
ME103128
49
C00141
2.06
117.055
UROCANATE
Urocanic acid
ME103420
1549103
-
2.08
139.0496
2-Maleylacetate
Maleylacetic acid
ME103111
5280500
C02222
2.17
159.0279
Aplysin
-
ME103172
99997
C17132
2.17
295.0663
Pyridostigmine
Pyridostigmine
ME103391
4991
C07410
2.17
182.1037
1,2,3-Trihydroxybenzene_2
1,2,3-Trihydroxybenzene
ME103073
1057
C01108
2.24
127.0381
Diacetyl
Diacetyl
ME103229
650
C00741
2.28
87.0448
Butanoic acid
Butyric acid
ME103196
20975673
C00246
2.33
89.0604
Euxanthone
Euxanthone
ME103258
5281631
C10061
2.34
229.0513
Piperideine
Piperideine
ME103378
68161
C06181
2.35
84.0815
Pentanamide
Pentanamide
ME103361
12298
C01842
2.36
102.0919
Succinic anhydride
Succinic anhydride
ME103398
7922
C19524
2.47
101.0239
Xanthine
Xanthine
ME103422
1188
C00385
2.66
153.0409
2,3-Dihydroxybenzoate
2-Pyrocatechuic acid
ME103096
54675818
C00196
2.69
155.0331
Dichloromethane_1
Dichloromethane
ME103231
6344
C02271
2.69
84.9604
NORLEUCINE
Norleucine
ME103341
21236
C01933
2.74
132.1021
N-Cyclohexylformamide
N-Cyclohexylformamide
ME103330
13017
C11519
2.99
128.1074
Pyridoxine
Pyridoxine
ME103392
1054
C00314
3.17
170.0812
Melamine
Melamine
ME103313
7955
C08737
3.18
127.0736
Disulfiram
Disulfiram
ME103245
3117
C01692
3.31
297.0571
L-Tyrosine
Tyrosine
ME103310
6057
C00082
3.65
182.0814
Dichloromethane_2
Dichloromethane
ME103232
6344
C02271
3.75
84.9604
5-Valerolactone
5-Valerolactone
ME103157
10953
C02240
4.38
101.0603
Bis(chloromethyl) ether
-
ME103187
10967
C19158
4.54
114.9717
2,2-Dichloro-1,1-ethanediol_1
-
ME103092
85275
C14860
4.7
130.9661
Dichloromethane_3
Dichloromethane
ME103233
6344
C02271
4.95
84.9604
2,2-Dichloro-1,1-ethanediol_2
-
ME103093
85275
C14860
5.16
130.9663
2'-DEOXYGUANOSINE
Deoxyguanosine
ME103102
187790
C00330
5.95
268.104
N-Succinyl-2-L-amino-6-oxoheptanedioate
N-Succinyl-2-amino-6-ketopimelate
ME103343
440349
C04462
5.95
290.086
N6-(delta2-Isopentenyl)-adenine
N6-Isopentenyladenine
ME103324
92180
C04083
6
204.1232
Pyraclonil
-
ME103389
11563984
C18613
6.25
315.1118
Hypoxanthine
Hypoxanthine
ME103286
790
C00262
6.27
137.0459
Inosine
Inosine
ME103288
6021
C00294
6.27
269.0883
11-Aminoundecanoic acid
11-Aminoundecanoic acid
ME103078
17083
C19325
6.36
202.1803
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME103336
13387
C11118
6.38
100.0762
Levetiracetam
Levetiracetam
ME103296
5284583
C07841
6.44
171.1129
L-Phenylalanine
Phenylalanine
ME103306
6140
C00079
6.45
166.0863
4-Fluorocyclohexadiene-cis,cis-1,2-diol
-
ME103139
11829464
C16483
6.46
131.0493
N-Cyclopropylammeline
-
ME103331
6321196
C14148
6.46
168.0867
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine
-
ME103334
597195
C19872
6.46
167.0917
2-Hydroxy-2,4-pentadienoate_2
2-Hydroxypenta-2,4-dienoic acid
ME103107
54675827
C00596
6.61
115.0393
Hexylamine
Hexylamine
ME103282
8102
C08306
6.64
102.1281
Cyclohexylamine
Cyclohexylamine
ME103218
7965
C00571
6.67
100.1126
N-Nitrosopiperidine
-
ME103340
7526
C19284
6.69
115.087
N-Methylpelletierine
Methylisopelletierine
ME103338
86786
C06184
6.71
156.1385
3,4-Methylenedioxymethamphetamine
3,4-Methylenedioxymethamphetamine
ME103119
1615
C07577
6.73
194.118
Zeatin
trans-Zeatin
ME103424
449093
C00371
6.76
220.1177
N-Vinyl-2-pyrrolidone
-
ME103345
6917
C19548
6.77
112.0761
3,4-Dihydroxyphenylethyleneglycol
3,4-Dihydroxyphenylglycol
ME103118
91528
C05576
6.79
171.064
Indole-3-acetaldehyde
Indoleacetaldehyde
ME103287
800
C00637
6.88
160.0756
Pentylenetetrazole_2
Pentylenetetrazole
ME103363
5917
C13692
6.9
139.098
1,2,6-Hexanetriol_1
-
ME103074
7823
C20334
6.97
135.1018
cis-2-Carboxycyclohexyl-acetic acid
cis-2-Carboxycyclohexyl-acetic acid
ME103208
656884
C14112
6.99
187.0948
Tyramine
Tyramine
ME103417
5610
C00483
7.11
138.0916
Dikegulac
-
ME103240
65420
C18825
7.14
275.1098
Yellow OB
-
ME103423
8578
C19553
7.17
262.1344
Pirimicarb
Pirimicarb
ME103380
31645
C11079
7.18
239.149
epsilon-Caprolactam
Epsilon-caprolactam
ME103253
7768
C06593
7.2
114.0918
Tropinone
Tropinone
ME103415
446337
C00783
7.21
140.107
Cyclohexane-1,3-dione
Cyclohexane-1,3-dione
ME103217
10434
C01066
7.25
113.0601
gamma-Coniceine
gamma-Coniceine
ME103266
442632
C10138
7.27
126.128
1-Phenylethylamine
-
ME103090
7408
C02455
7.3
122.0967
Phenmetrazine
Phenmetrazine
ME103367
4762
C07432
7.41
178.1227
cis-1,2-Dihydro-3-ethylcatechol_2
cis-1,2-Dihydro-3-ethylcatechol
ME103207
441155
C06727
7.52
141.0911
N-Ethylmaleimide
N-Ethylmaleimide
ME103333
4362
C02441
7.54
126.0548
Otonecine
Otonecine
ME103353
5281740
C10356
7.57
186.1127
Callytriol C
-
ME103200
10593857
C17005
7.59
349.1829
Calcium L-aspartate
-
ME103199
30465
C13058
7.6
171.993
Phendimetrazine
Phendimetrazine
ME103366
12460
C07904
7.7
192.1384
Diallyl disulfide
-
ME103230
16590
C08369
7.71
147.0311
Betamethasone
Betamethasone
ME103186
9782
C06848
7.74
393.2099
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME103100
21
C00659
7.76
147.0654
2-Oxosuberate
-
ME103115
146903
C16589
7.76
189.0741
3-Methyleneoxindole
3-Methyleneoxindole
ME103129
150946
C02796
7.76
146.0602
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate
-
ME103179
440386
C04561
7.76
209.118
Deethylatrazine
6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine
ME103226
22563
C06559
7.76
188.0707
L-Tryptophan
Tryptophan
ME103309
6305
C00078
7.76
205.0972
N-Ethylglycocyamine
N-Ethylglycocyamine
ME103332
439826
C02852
7.76
208.116
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME103317
439447
C01223
7.77
215.1255
Digitalose
Digitalose
ME103236
192798
C08235
7.83
179.0897
Cyclohex-2-enone
Cyclohex-2-enone
ME103216
13594
C02395
7.85
97.0655
3-Dehydroquinate
3-Dehydroquinate
ME103125
439351
C00944
7.89
191.0531
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluo...
-
ME103079
228786
C14664
7.9
437.2337
N'-Nitrosoanabasine
-
ME103339
14335
C19477
7.91
192.113
4-Hydroxy-2-quinolinecarboxylic acid
Kynurenic acid
ME103144
3845
C01717
7.94
190.0501
4-Aminobutyraldehyde_1
4-Aminobutyraldehyde
ME103135
118
C00555
7.96
88.0764
Ethosuximide
Ethosuximide
ME103255
3291
C07505
7.98
142.0864
Hippurate
Hippuric acid
ME103283
464
C01586
7.99
180.0669
2-Hydroxycyclohexan-1-one
2-Hydroxycyclohexan-1-one
ME103109
10785
C01147
8.01
115.0753
Simazine
Simazine
ME103397
5216
C11172
8.1
202.0839
Pyrene
Pyrene
ME103390
31423
C14335
8.11
203.0875
Ethyl tiglate
Ethyl tiglate
ME103257
5281163
C08487
8.12
129.0913
Penicillin G
Penicillin G
ME103358
5904
C05551
8.18
335.1074
Chlorpromazine N-oxide_2
Chlorpromazine N-oxide
ME103203
443037
C10966
8.2
335.0995
trans-4-Hydroxycyclohexanecarboxylate
4-Hydroxycyclohexylcarboxylic acid
ME103409
19034555
C04404
8.21
145.0857
5-Acetamidopentanoate
5-Acetamidovaleric acid
ME103151
439903
C03087
8.22
160.0968
Pantothenate
Pantothenic acid
ME103356
988
C00864
8.23
220.1161
Phosphoagmatine
-
ME103373
72734288
C02726
8.28
211.0942
Piperidione
Piperidione
ME103379
6465
C17730
8.34
170.1177
Butoctamide hydrogen succinate
Listomin S
ME103197
2486
C12946
8.36
316.2116
Gibberellin A12 aldehyde
-
ME103269
193542
C06093
8.43
317.2086
(3-Arylcarbonyl)-alanine
-
ME103063
412786
C03450
8.44
194.0813
Octylamine
Octylamine
ME103346
8143
C01740
8.46
130.1594
4-Aminobutyraldehyde_2
4-Aminobutyraldehyde
ME103136
118
C00555
8.48
88.0764
Debrisoquin_2
Debrisoquine
ME103225
2966
C13650
8.49
176.1182
(R*,S*)-4-[1-Ethyl-2-(4-fluorophenyl)butyl]phenol
-
ME103070
11954181
C15463
8.52
273.1671
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyri...
-
ME103108
104954
C20286
8.55
241.1078
N-Trimethyl-2-aminoethylphosphonate
-
ME103344
1014
C06459
8.58
169.0861
4-Vinylcyclohexene
-
ME103148
7499
C19310
8.6
109.1019
Ethyl 3-(N-butylacetamido)propionate
-
ME103256
104150
C18830
8.7
216.1597
3-Isopropylcatechol
3-Isopropylcatechol
ME103126
16498
C01014
8.8
153.0912
D-Arabinono-1,4-lactone
D-Arabinono-1,4-lactone
ME103223
17723
C00652
8.8
149.0449
4-Aminobutyraldehyde_3
4-Aminobutyraldehyde
ME103137
118
C00555
8.83
88.0764
Cinnamaldehyde
Cinnamaldehyde
ME103205
637511
C00903
8.85
133.0651
Sulcatone
Sulcatone
ME103399
9862
C07287
8.86
127.1121
Diethylene glycol
Diethylene glycol
ME103235
8117
C14689
8.91
107.0707
Benzyl alcohol
Benzyl alcohol
ME103180
244
C00556
8.94
109.0653
Benzylpenicilloic acid
-
ME103181
98994
C16672
8.98
353.1164
Flumioxazin
Flumioxazin
ME103261
92425
C11035
8.98
355.112
Diisopropyl phthalate
-
ME103239
11799
C14468
8.99
251.1256
5-Amino-6-(5'-phosphoribosylamino)uracil
-
ME103152
439462
C01268
9.06
355.0631
Guanfacine
Guanfacine
ME103274
3519
C07037
9.06
246.0213
Rhododendrin
Rhododendrin
ME103394
442538
C09965
9.08
329.1571
(-)-Jasmonic acid
Jasmonic acid
ME103058
5281166
C08491
9.14
211.1329
Trp-P-1
-
ME103416
5284474
C19306
9.24
212.1184
Azelaic acid
Azelaic acid
ME103174
2266
C08261
9.34
189.1127
Furfural diethyl acetal
-
ME103265
83553
C14280
9.34
171.1015
Artecanin
Chrysartemin B
ME103173
442147
C09302
9.43
279.1203
beta-Cotonefuran
beta-Cotonefuran
ME103185
441781
C08740
9.53
305.0996
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-i...
-
ME103121
15944652
C20199
9.62
239.1255
Heteropyrithiamine
1-[(4-Amino-2-methylpyrimidin-5-yl)methyl]pyridinium
ME103281
439786
C02691
9.68
202.1226
10-Hydroxycarbazepine
Licarbazepine
ME103077
114709
C07493
9.81
255.1106
Boschnialactone
Boschnialactone
ME103188
442420
C09772
9.83
155.1068
Graphinone
Ovalicin
ME103273
442372
C09674
9.83
297.1675
Goniothalenol
Altholactone
ME103272
343590
C09930
9.89
233.0786
TRANS-CINNAMATE
trans-Cinnamic acid
ME103410
444539
C00423
9.89
149.0598
Melatonin
Melatonin
ME103314
896
C01598
9.92
233.1284
Analysis: ESI Negative ion mode
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
TDE
DDD
ME103655
6294
C06636
0.71
316.9474
Triphosphate
-
ME103667
-
C00536
0.72
256.9019
Histidine
Histidine
ME103585
6274
C00135
0.75
154.0609
2,2',5,5'-Tetrachlorobenzidine
-
ME103448
27465
C19533
0.76
318.9379
7-Methyluric acid
7-Methyluric acid
ME103506
69160
C16355
0.76
181.0374
Sinapyl alcohol
Sinapyl alcohol
ME103647
5280507
C02325
0.76
209.0805
Taurine
Taurine
ME103651
1123
C00245
0.76
124.0062
Arginine
Arginine
ME103520
6322
C00062
0.77
173.1034
Oxaloglutarate_1
2-Oxaloglutaric acid
ME103623
440718
C05533
0.77
203.0195
L-Cysteate
Cysteic acid
ME103591
72886
C00506
0.78
167.9961
5-O-Feruloylquinic acid
3-O-Feruloylquinic acid
ME103502
9799386
C02572
0.79
367.105
Glucose/Fructose [M+Cl]-
Hexose
ME103581
-
C00293/C01496
0.79
215.0321
Glutamine
Glutamine
ME103582
5961
C00303
0.79
145.0606
Nifuradene
-
ME103619
9568055
C19272
0.79
223.0455
Threonine
Threonine
ME103658
6288
C00188
0.79
118.0496
2-Deoxy-D-ribose 1-phosphate_2
Deoxyribose 1-phosphate
ME103462
439287
C00672
0.8
213.0165
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME103500
108214
C16365
0.8
225.061
D-Xylonate_1
Xylonic acid
ME103562
5460056
C00502
0.8
165.0394
(+)-Medicarpin
-
ME103426
73067
C01729
0.8
269.0813
Phaseolic acid
Phaseolic acid
ME103628
5281786
C10483
0.8
295.0475
Threonate_2
Threonic acid
ME103657
5460407
C01620
0.8
135.0287
GLUCONIC ACID
Gluconic acid
ME103580
10690
C00257
0.81
195.0501
MYO-INOSITOL
Myo-inositol
ME103608
892
C00137
0.81
179.0553
S-Sulfo-L-cysteine
Cysteine-S-sulfate
ME103648
115015
C05824
0.81
199.9684
3-Sulfino-L-alanine
3-Sulfino-alanine
ME103480
1549098
C00606
0.82
152.001
Cytidine
Cytidine
ME103549
6175
C00475
0.82
242.0796
D-Ribose
Ribose
ME103561
5779
C00121
0.82
149.0444
Ferrous lactate_2
-
ME103577
22197
C17382
0.82
232.9743
L-Glutamate_1
Glutamic acid
ME103594
33032
C00025
0.82
146.0448
L-Methionine S-oxide
Methionine sulfoxide
ME103599
158980
C02989
0.82
164.0376
Dihydrolipoate
(R)-Dihydrolipoic acid
ME103557
421
C02147
0.83
207.0502
Glutarate
Glutaric acid
ME103583
743
C00489
0.83
131.0337
Lichenin
Lichenin
ME103596
439241
C00478
0.83
161.0445
Fenamiphos
Fenamiphos
ME103574
31070
C18659
0.84
302.1006
Tauropine
Tauropine
ME103654
3082376
C01616
0.84
196.0279
3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole
-
ME103477
443072
C11107
0.86
274.0579
D-Glucono-1,5-lactone
Gluconolactone
ME103554
7027
C00198
0.86
177.0396
Ketoprofen
Ketoprofen
ME103590
3825
C01716
0.86
253.0863
Neopterin
Neopterin
ME103617
4455
C05926
0.86
252.075
Allantoin
Allantoin
ME103515
204
C01551
0.87
157.0357
Sedoheptulose
Glucoheptulose
ME103646
102926
C02076
0.87
209.0662
N-Acetyl-L-citrulline
N-Acetylcitrulline
ME103611
656979
C15532
0.88
216.0985
Trimetaphosphoric acid
-
ME103666
510
C02466
0.93
238.8912
Creatine
Creatine
ME103545
586
C00300
0.99
130.0609
4-Hydroxybenzoate_1
4-Hydroxybenzoic acid
ME103487
135
C00156
10.17
137.0231
Bowdichione
Bowdichione
ME103531
5281705
C10202
10.27
297.0379
2-O-Caffeoylglucarate_2
-
ME103468
5459979
C03062
10.37
371.0597
Ethyl (R)-3-hydroxyhexanoate_1
Ethyl (R)-3-hydroxyhexanoate
ME103567
440150
C03864
10.37
159.1016
Methyl 2-diazoacetamidohexonate
Methyl 2-diazoacetamidohexonate
ME103607
439447
C01223
10.4
213.1127
Zingerone_1
Zingerone
ME103679
31211
C17497
10.43
193.086
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME103478
54683777
C04604
10.44
196.0243
4-Nitrophenol
4-Nitrophenol
ME103492
980
C00870
10.48
138.0185
(R)-5-Phosphomevalonate
5-Phosphomevalonic acid
ME103435
439400
C01107
10.5
227.0344
Taurodeoxycholate
Taurodeoxycholic acid
ME103653
2733768
C05463
10.52
498.2895
9,12,13-TriHOME_3
9,12,13-TriHOME
ME103511
9858729
C14833
10.64
329.2335
5-Oxo-1,2-campholide_1
5-Oxo-1,2-campholide
ME103503
439864
C02952
10.68
181.086
Coniferyl alcohol_3
Coniferyl alcohol
ME103543
1549095
C00590
10.68
179.0703
Dehydroepiandrosterone sulfate
Dehydroepiandrosterone sulfate
ME103552
12594
C04555
10.69
367.1585
Citrate
Citric acid
ME103539
311
C00158
1.07
191.0191
Traumatic acid
Traumatic acid
ME103663
5283028
C16308
10.79
227.1284
PS-5
-
ME103637
196445
C17370
10.86
297.0914
Enhydrin_2
-
ME103566
5281441
C09405
10.89
463.1614
Fagomine
Fagomine
ME103573
72259
C10144
1.09
146.0812
Euparotin acetate_1
Euparotin acetate
ME103571
5281456
C09435
10.9
417.1557
Cyclopiazonic acid
alpha-Cyclopiazonic acid
ME103548
54682463
C03032
10.98
335.1398
Quinalphos
Quinalphos
ME103641
26124
C11030
11.06
297.0467
Dodecanedioic acid
Dodecanedioic acid
ME103560
12736
C02678
11.11
229.1441
9,12,13-TriHOME_1
9,12,13-TriHOME
ME103509
9858729
C14833
11.18
329.2335
Coniferyl alcohol_1
Coniferyl alcohol
ME103541
1549095
C00590
11.26
179.0702
2,4-Dinitrophenol
2,4-Dinitrophenol
ME103459
1493
C02496
11.27
183.0038
5-Oxo-1,2-campholide_2
5-Oxo-1,2-campholide
ME103504
439864
C02952
11.27
181.086
Euparotin acetate_2
Euparotin acetate
ME103572
5281456
C09435
11.34
417.1557
2-Deoxy-D-ribose 1-phosphate_1
Deoxyribose 1-phosphate
ME103461
439287
C00672
11.39
213.0148
4-Acetamidobutanoate_3
4-Acetamidobutanoic acid
ME103485
6991994
C02946
1.14
144.0655
N-Benzoyl-4-methoxyanthranilate
-
ME103615
9548581
C04208
11.4
270.0784
10-Hydroxydecanoic acid_2
10-Hydroxydecanoic acid
ME103440
74300
C02774
11.43
187.133
2,4-Dichlorobenzoate
2,4-Dichlorobenzoic acid
ME103458
4294268
C06670
11.47
188.9508
Enhydrin_1
-
ME103565
5281441
C09405
11.47
463.1613
Tolbutamide
Tolbutamide
ME103661
5505
C07148
11.52
269.097
2,3-Dihydroxycyclopentaneundecanoic acid_1
-
ME103451
243756
C14987
11.54
285.2073
Apiole
Apiole
ME103519
10659
C10429
11.55
221.0815
N-(3-Oxohexanoyl)homoserine lactone
N-(3-Oxo-hexanoyl)-homoserine lactone
ME103609
119133
C11839
11.62
212.092
Dithranol
Anthralin
ME103559
2202
C06831
11.63
225.0551
Coniferyl alcohol_2
Coniferyl alcohol
ME103542
1549095
C00590
11.69
179.0703
Dehydrovomifoliol
Dehydrovomifoliol
ME103553
688492
C02533
11.69
221.1176
9,12,13-TriHOME_2
9,12,13-TriHOME
ME103510
9858729
C14833
11.79
329.2335
Ferimzone
Ferimzone
ME103575
9013425
C18579
11.79
253.1445
AL-321
-
ME103514
194620
C17303
11.87
354.1176
N-Formimino-L-glutamate
Formiminoglutamic acid
ME103618
439233
C00439
1.19
173.0559
10-Hydroxydecanoic acid_1
10-Hydroxydecanoic acid
ME103439
74300
C02774
11.92
187.133
2,3-Dinor-8-iso prostaglandin F2alpha
2,3-Dinor-8-iso-PGF2alpha
ME103455
9548881
C14794
11.93
325.2022
2,3-Dihydroxycyclopentaneundecanoic acid_4
-
ME103454
243756
C14987
12.01
285.2073
Bellendine
Bellendine
ME103525
442996
C10846
12.12
204.1021
Dibutyl adipate
Dibutyl adipate
ME103555
7784
C14253
12.13
257.1757
Valine
Valine
ME103675
6287
C16436
1.22
116.0703
Thymyl acetate_2
Thymol acetate
ME103660
68252
C09909
12.2
191.1068
(10S)-Juvenile hormone III acid diol
-
ME103427
23724772
C16506
12.22
269.1757
Cucurbic acid
Cucurbic acid
ME103546
5281159
C08482
12.23
211.1334
Phytuberin_2
Phytuberin
ME103633
442387
C09709
12.24
293.176
Phenisopham
-
ME103629
94578
C19061
12.28
341.1502
Botrydial_1
Botrydial
ME103529
185781
C09622
12.3
309.1712
Chenodeoxycholate
Chenodeoxycholic acid
ME103534
10133
C02528
12.36
391.2859
Probenecid
Probenecid
ME103636
4911
C07372
12.43
284.096
Rugosinone
Rugosinone
ME103644
442350
C09634
12.47
352.0834
2,3-Dihydroxycyclopentaneundecanoic acid_3
-
ME103453
243756
C14987
12.48
285.2073
Aspulvinone H
Aspulvinone H
ME103521
25245780
C02008
12.5
431.1832
Hydrocortisone caproate
Hydrocortisone caproate
ME103586
107423
C13422
12.53
459.272
4,4'-Diaminostilbene dihydrochloride_2
-
ME103482
11954176
C15452
12.54
281.0627
(S)-Malate_2
Malic acid
ME103437
222656
C00149
1.26
133.013
Volkenin
Volkenin
ME103676
181811
C08344
12.6
286.0924
Botrydial_2
Botrydial
ME103530
185781
C09622
12.63
309.171
Thymyl acetate_1
Thymol acetate
ME103659
68252
C09909
12.71
191.1068
Ethyl(E,Z)-decadienoate
-
ME103570
5281162
C08486
12.75
195.1381
Zingerone_2
Zingerone
ME103680
31211
C17497
12.81
193.086
Phytuberin_1
Phytuberin
ME103632
442387
C09709
12.89
293.1759
Bis(2-ethylhexyl)phthalate
Bis(2-ethylhexyl)phthalate
ME103528
8343
C03690
12.92
389.2695
Ferrous lactate_1
-
ME103576
22197
C17382
1.3
232.9746
4,4'-Diaminostilbene dihydrochloride_1
-
ME103481
11954176
C15452
13.01
281.0627
(9R,10R)-Dihydroxyoctadecanoic acid
9,10-Dihydroxystearic acid
ME103430
12235228
C08314
13.06
315.2536
Cortol
Cortol
ME103544
246873
C05482
13.09
367.2486
Malaoxon
Malaoxon
ME103604
15415
C07498
1.31
313.0514
Phenylmercury acetate
-
ME103630
16682730
C11151
1.31
337.0125
2-Ethylhexyl phthalate_2
Monoethylhexyl phthalic acid
ME103464
-
C03343
13.1
277.1444
1-Hydroxy-2-naphthoate
1-Hydroxy-2-naphthoate
ME103446
6844
C03203
1.32
187.041
Phytuberin_3
Phytuberin
ME103634
442387
C09709
13.26
293.1759
6-Benzylaminopurine
Cytokinin B
ME103505
62389
C11263
13.32
224.0923
L-Tyrosine methyl ester
Methyl tyrosinate
ME103603
70652
C03404
13.45
194.0816
2,3-Dihydroxycyclopentaneundecanoic acid_2
-
ME103452
243756
C14987
13.46
285.2074
N-Acetylornithine
N-Acetylornithine
ME103614
439232
C00437
1.35
173.092
N6-Acetyl-N6-hydroxy-L-lysine
N(6)-Acetyl-N(6)-hydroxy-lysine
ME103610
128888
C03955
1.36
203.103
2-Ethylhexyl phthalate_1
Monoethylhexyl phthalic acid
ME103463
-
C03343
13.66
277.1444
Imazosulfuron
-
ME103587
92433
C18443
13.88
411.0321
2-Oxooctadecanoic acid_1
2-Oxo-octadecanoic acid
ME103470
439332
C00869
14.02
297.2433
D-Xylonate_2
Xylonic acid
ME103563
5460056
C00502
14.02
165.0398
Rishitin
Rishitin
ME103643
108064
C09715
14.11
221.1541
Bakkenolide A
Bakkenolide A
ME103524
442173
C09350
14.33
233.1542
16-Oxo-palmitate_3
-
ME103445
15931626
C19614
14.38
269.2122
Rapanone
Rapanone
ME103642
100659
C10399
14.55
321.2101
(R)-2-Hydroxystearate
2-Hydroxystearic acid
ME103434
21145040
C03042
14.56
299.2591
L-Glutamate_2
Glutamic acid
ME103595
33032
C00025
1.47
146.0448
2-Ethylhexyl phthalate_3
Monoethylhexyl phthalic acid
ME103465
-
C03343
14.72
277.1444
16-Oxo-palmitate_2
-
ME103444
15931626
C19614
14.92
269.2122
16-Dehydroprogesterone
16,17-Didehydroprogesterone
ME103442
101964
C03207
14.97
311.2014
Gemfibrozil
Gemfibrozil
ME103579
3463
C07020
15.08
249.1493
2-Oxooctadecanoic acid_2
2-Oxo-octadecanoic acid
ME103471
439332
C00869
15.17
297.2434
16-Oxo-palmitate_1
-
ME103443
15931626
C19614
15.25
269.2123
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid
8R-HODE
ME103431
5281117
C08318
15.34
295.2279
Furmecyclox
Furmecyclox
ME103578
43359
C18912
15.37
250.1448
Cyclic GMP-AMP
-
ME103547
71563406
C20640
15.72
673.0963
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
ME103475
439479
C01301
15.83
433.3323
Adenine
Adenine
ME103513
190
C00147
1.59
134.0459
Uridine_2
Uridine
ME103674
6029
C00299
1.61
243.0617
AMP
AMP
ME103517
6083
C00020
1.67
346.0555
3alpha,7alpha,12alpha-Trihydroxy-5beta-cholestan-2...
3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
ME103476
439479
C01301
16.76
433.3324
D-Xylonate_3
Xylonic acid
ME103564
5460056
C00502
16.81
165.0398
2-(Acetamidomethylene)succinate
-
ME103447
21158439
C01215
1.72
186.0393
IMP
IMP
ME103588
8582
C00130
1.89
347.0391
Ureidoacrylate
Ureidoacrylic acid
ME103672
1751484
C20254
1.96
129.0309
4-Oxoproline
4-Oxo-proline
ME103493
107541
C01877
1.98
128.0341
L-Pipecolate_2
Pipecolic acid
ME103602
439227
C00408
1.98
128.0724
Urate
Uric acid
ME103671
1175
C00366
2.11
167.0202
Oxaloglutarate_2
2-Oxaloglutaric acid
ME103624
440718
C05533
2.17
203.018
Threonate_1
Threonic acid
ME103656
5460407
C01620
2.32
135.0287
(S)-Malate_1
Malic acid
ME103436
222656
C00149
2.33
133.013
N'-Phosphoguanidinoethyl methyl phosphate_1
-
ME103620
440365
C04503
2.38
276.0176
D-Arabinono-1,4-lactone
D-Arabinono-1,4-lactone
ME103551
17723
C00652
2.4
147.0287
L-Leucine_2
Leucine
ME103598
6106
C00123
2.41
130.086
8-Oxoguanine
8-Hydroxyguanine
ME103508
65154
C20155
2.52
166.0361
Xanthine
Xanthine
ME103677
1188
C00385
2.64
151.0248
2,3-Dihydroxybenzoate_2
2-Pyrocatechuic acid
ME103450
54675818
C00196
2.69
153.019
N'-Phosphoguanidinoethyl methyl phosphate_2
-
ME103621
440365
C04503
2.74
276.0176
4-Methyl-2-oxopentanoate_1
Ketoleucine
ME103489
70
C00233
2.77
129.0545
L-Leucine_1
Leucine
ME103597
6106
C00123
2.77
130.086
L-Pipecolate_1
Pipecolic acid
ME103601
439227
C00408
2.82
128.0704
Uridine_1
Uridine
ME103673
6029
C00299
3.05
243.0618
Pyridoxine
Pyridoxine
ME103640
1054
C00314
3.19
168.0656
Disulfiram
Disulfiram
ME103558
3117
C01692
3.35
295.0426
Acetyl-maltose
Acetyl-maltose
ME103512
11349616
C02130
3.65
383.122
Tyrosine
Tyrosine
ME103670
6057
C01536
3.65
180.0658
4-Pyridoxate
4-Pyridoxic acid
ME103494
6723
C00847
6.18
182.0449
Pyraclonil
-
ME103638
11563984
C18613
6.21
313.0975
Inosine
Inosine
ME103589
6021
C00294
6.28
267.0736
(E)-4-(Trimethylammonio)but-2-enoate_1
(E)-4-(Trimethylammonio)but-2-enoate
ME103432
-
C04114
6.43
142.0861
Levetiracetam_1
Levetiracetam
ME103592
5284583
C07841
6.43
169.0974
L-Phenylalanine
Phenylalanine
ME103600
6140
C00079
6.45
164.0708
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile_1
-
ME103456
3003768
C15084
6.46
281.1074
4-Pyridoxolactone_2
4-Pyridoxolactone
ME103496
151228
C00971
6.57
164.0343
beta-Cymaropyranose
beta-Cymaropyranose
ME103527
441417
C08234
6.74
161.0809
Zeatin
trans-Zeatin
ME103678
449093
C00371
6.75
218.1027
Levetiracetam_2
Levetiracetam
ME103593
5284583
C07841
6.8
169.0974
(E)-4-(Trimethylammonio)but-2-enoate_2
(E)-4-(Trimethylammonio)but-2-enoate
ME103433
-
C04114
6.82
142.0861
4-Acetamidobutanoate_1
4-Acetamidobutanoic acid
ME103483
6991994
C02946
6.91
144.0655
4-Methyl-2-oxopentanoate_3
Ketoleucine
ME103491
70
C00233
7.14
129.0545
5-Acetamidopentanoate_2
5-Acetamidovaleric acid
ME103499
439903
C03087
7.17
158.0811
2-Aceto-2-hydroxybutanoate
2-Acetolactate
ME103460
21
C00659
7.2
145.0494
4-Acetamidobutanoate_2
4-Acetamidobutanoic acid
ME103484
6991994
C02946
7.37
144.0655
Penicillin G_3
Penicillin G
ME103627
5904
C05551
7.4
333.0917
2-Oxosuberate
-
ME103472
146903
C16589
7.43
187.0602
Toluene-4-sulfonate
Toluene-4-sulfonic acid
ME103662
85570
C06677
7.45
171.0112
2,3-Diphenyl-3-(2-pyridinyl)acrylonitrile_2
-
ME103457
3003768
C15084
7.46
281.1074
3-(4-Hydroxyphenyl)lactate
Hydroxyphenyllactic acid
ME103474
9548580
C03672
7.63
181.0494
N-Benzyloxycarbonylglycine
N-Benzyloxycarbonylglycine
ME103616
14349
C03710
7.64
208.0608
4-Methyl-2-oxopentanoate_2
Ketoleucine
ME103490
70
C00233
7.65
129.0545
1,2-Bis(4-nitrophenyl)ethane
-
ME103438
69776
C14589
7.73
271.0703
3-Methyleneoxindole
3-Methyleneoxindole
ME103479
150946
C02796
7.75
144.0442
Coenzyme B
Coenzyme B
ME103540
5462265
C04628
7.76
342.0756
Pyridafenthion
Pyridaphenthion
ME103639
8381
C18762
7.76
339.0576
Tryptophan
Tryptophan
ME103668
6305
C00806
7.76
203.082
Tryptophan-2,3,3-D3
Tryptophan
ME103669
-
-
7.76
206.1007
MC-6063
-
ME103605
39975
C11069
7.77
324.0101
Triadimenol
Triadimenol
ME103664
41368
C11127
7.79
294.1017
2-Quinolinecarboxylic acid
Quinaldic acid
ME103473
7124
C06325
7.82
172.0395
N-Acetyl-L-leucine_2
N-Acetylleucine
ME103613
75619
C02710
7.83
172.0969
D-2-Hydroxyisocaproate
D-Leucic acid
ME103550
439960
C03264
7.93
131.0702
Diethyl 2-methyl-3-oxosuccinate
4-Heptenal diethyl acetal
ME103556
97750
C04067
7.97
201.076
Pimelate
Pimelic acid
ME103635
385
C02656
7.97
159.0652
Choline phosphate
Choline phosphate
ME103535
135437
C00588
8.03
183.0654
cis-1,2-Dihydro-3-ethylcatechol
cis-1,2-Dihydro-3-ethylcatechol
ME103536
441155
C06727
8.05
139.0753
4-Hydroxybenzoate_2
4-Hydroxybenzoic acid
ME103488
135
C00156
8.07
137.0231
Hippurate
Hippuric acid
ME103584
464
C01586
8.07
178.0501
Cefuroxime
Cefuroxime
ME103533
5479529
C06894
8.18
423.0604
N-Succinyl-LL-2,6-diaminoheptanedioate
N-Succinyl-L,L-2,6-diaminopimelate
ME103622
440333
C04421
8.19
289.1015
Penicillin G_1
Penicillin G
ME103625
5904
C05551
8.2
333.0918
Phthalate
Phthalic acid
ME103631
1017
C01606
8.27
165.0182
5-Acetamidopentanoate_1
5-Acetamidovaleric acid
ME103498
439903
C03087
8.3
158.081
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME103507
173
C01092
8.34
186.1125
N-Acetyl-L-leucine_1
N-Acetylleucine
ME103612
75619
C02710
8.35
172.0969
(3-Arylcarbonyl)-alanine_1
-
ME103428
412786
C03450
8.46
192.0657
Suberic acid_1
Suberic acid
ME103649
10457
C08278
8.68
173.0811
4-Sulfobenzyl alcohol
-
ME103497
9543135
C06678
8.74
187.0062
(3-Arylcarbonyl)-alanine_2
-
ME103429
412786
C03450
8.79
192.0657
2-Hydroxy-3-chloropenta-2,4-dienoate
-
ME103466
5281907
C11353
8.85
146.9864
Aucubin
Aucubin
ME103522
91458
C09771
8.9
345.1187
Benzylpenicilloic acid
-
ME103526
98994
C16672
8.95
351.1018
2-Oxo-3-hydroxy-4-phosphobutanoate
2-Oxo-3-hydroxy-4-phosphobutanoic acid
ME103469
25245610
C06054
8.96
212.9787
Camoensine
Camoensine
ME103532
442946
C10758
8.97
229.1343
Methicillin sodium
-
ME103606
23667627
C13973
8.99
419.0897
Triethylene glycol diglycidyl ether
-
ME103665
16058
C19537
8.99
261.1345
2-O-Caffeoylglucarate_1
-
ME103467
5459979
C03062
9.03
371.0596
5-Amino-6-(5'-phosphoribosylamino)uracil
-
ME103501
439462
C01268
9.06
353.0487
Suberic acid_2
Suberic acid
ME103650
10457
C08278
9.15
173.0811
cis-2-Carboxycyclohexyl-acetic acid
cis-2-Carboxycyclohexyl-acetic acid
ME103537
656884
C14112
9.18
185.081
alpha-Oxo-benzeneacetic acid
Phenylglyoxylic acid
ME103516
11915
C02137
9.21
149.0233
4-Pyridoxolactone_1
4-Pyridoxolactone
ME103495
151228
C00971
9.32
164.0343
Azelaic acid
Azelaic acid
ME103523
2266
C08261
9.34
187.0966
Penicillin G_2
Penicillin G
ME103626
5904
C05551
9.37
333.0918
4-Acetamidobutanoate_4
4-Acetamidobutanoic acid
ME103486
6991994
C02946
9.38
144.0655
2,3-Dihydroxybenzoate_1
2-Pyrocatechuic acid
ME103449
54675818
C00196
9.39
153.0182
Anisatin
Anisatin
ME103518
115121
C09294
9.5
327.1082
Ethyl 3-(N-butylacetamido)propionate
-
ME103569
104150
C18830
9.56
214.1443
Ethyl (R)-3-hydroxyhexanoate_2
Ethyl (R)-3-hydroxyhexanoate
ME103568
440150
C03864
9.82
159.1016
Taurocholate
Taurocholic acid
ME103652
6675
C05122
9.93
514.2837
Sebacic acid
Sebacic acid
ME103645
5192
C08277
9.97
201.1125
10-Hydroxydecanoic acid_3
10-Hydroxydecanoic acid
ME103441
74300
C02774
9.99
187.133
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel