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 ST000549 main page
Analysis: HILIC POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Deoxymethynolide
10-Deoxymethynolide
ME163218
-
C11993
1.1252754
-
11-amino-undecanoic acid
11-Aminoundecanoic acid
ME161712
-
C19325
1.3436909
-
11-amino-undecanoic acid + 1.4218489
11-Aminoundecanoic acid
ME161734
-
C19325
1.4218489
-
11-amino-undecanoic acid + 5.2308316
11-Aminoundecanoic acid
ME162271
-
C19325
5.2308316
-
(±)11-HEDE
-
ME161290
-
-
1.0772122
-
12,13S-epoxy-9Z,11-octadecadienoic acid
-
ME161330
-
C04594
1.093414
-
12,13S-epoxy-9Z,11-octadecadienoic acid + 1.229105...
-
ME163230
-
C04594
1.2291057
-
1,2,3-Trimethylbenzene
1,2,3-Trimethylbenzene
ME161460
-
C14518
1.1510674
-
1?,25-dihydroxy-24-oxo-23-azavitamin D2 / 1?,25-di...
-
ME162322
-
-
5.6232924
-
12a-Hydroxyrotenone
cis-Rotenolone
ME163087
-
C10464
3.0461662
-
1,2-Diacetylhydrazine
-
ME163184
-
C16622
7.153519
-
1,2-Diamino-4-nitrobenzene
-
ME163078
-
C19384
2.2973633
-
12-oxo-10E-dodecenoic acid
Traumatin
ME161400
-
C16309
1.1337296
-
12-trans-Hydroxy juvenile hormone III
-
ME161407
-
C16508
1.1292775
-
13(S)-HpODE
13S-HpODE
ME161632
-
C04717
1.2239071
-
16(S)-HETE
-
ME163326
-
-
1.1067971
-
17,20-dimethyl Prostaglandin F1?
-
ME161563
-
-
1.2337272
-
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acet...
-
ME161918
-
C14955
2.1612184
-
17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5a...
-
ME161306
-
C14919
1.0802852
-
17beta-Hydroxy-6beta-methyl-5alpha-androstan-3-one...
-
ME162329
-
C15331
5.6339655
-
17-Ethynyl-10-hydroxy-19-nortestosterone
-
ME161393
-
C14670
1.1299831
-
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diac...
-
ME161394
-
C14947
1.1271217
-
1-(8-[3]-ladderane-octanoyl-2-(8-[3]-ladderane-oct...
-
ME162168
-
-
4.619491
-
19-(3-methyl-butanoyloxy)-villanovane-13alpha,17-d...
-
ME162538
-
-
6.4168506
-
1-AG
MG 20:4
ME162292
-
C13857
5.4568133
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME162790
-
-
7.1051326
-
1-Aminocyclohexanecarboxylic acid + 7.5476794
1-Azaniumylcyclohexane-1-carboxylate
ME162859
-
-
7.5476794
-
1-Aminocyclohexanecarboxylic acid + 8.401059
1-Azaniumylcyclohexane-1-carboxylate
ME162920
-
-
8.401059
-
1-Hydroxy-2-acetamidofluorene
-
ME162464
-
C14481
6.1592774
-
1-Methoxypyrene-6,7-oxide
-
ME163077
-
C18262
2.3022802
-
1-Methyladenine
1-Methyladenine
ME163367
-
C02216
5.6857085
-
1-methylhistidine
1-Methylhistidine
ME162081
-
C01152
4.2162795
-
1-Nitronaphthalene-5,6-oxide
-
ME162182
-
C14800
4.657124
-
1-Phenyl-2-(diethylamino)-1-propanol
-
ME161820
-
-
1.7104056
-
21-Hydroxy-5?-pregnane-3,11,20-trione
21-Hydroxy-5beta-pregnane-3,11,20-trione
ME161560
-
C05477
1.2327633
-
(22Z)-1?-hydroxy-22,23-didehydrovitamin D3 / (22Z)...
-
ME161384
-
-
1.1040775
-
2,3-dinor-11b-PGF2?
2,3-Dinor-11beta-PGF2alpha
ME162996
-
C14794
1.1282063
-
2-(3'-Methylthio)propylmalic acid
2-(3-Methylthiopropyl)malic acid
ME161220
-
C17214
1.0295202
-
2-(3'-Methylthio)propylmalic acid + 1.0449985
2-(3-Methylthiopropyl)malic acid
ME161229
-
C17214
1.0449985
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid
-
ME161753
-
-
1.4736587
-
(23S)-3?,7?,23-Trihydroxy-5?-cholan-24-oic Acid + ...
-
ME161872
-
-
1.8877333
-
24,25-epoxy-cholesterol
24,25-Epoxycholesterol
ME161374
-
C15632
1.1148764
-
2,4,6,8-decatetraenal
2,4,6,8-Decatetraenal
ME161404
-
-
1.1285329
-
2,4-Dihydroxybenzophenone
2,4-Dihydroxybenzophenone
ME161831
-
C14215
1.7193168
-
26-Hydroxycastasterone
-
ME161398
-
C19873
1.133569
-
2-(6'-Methylthio)hexylmalic acid
-
ME162873
-
C17226
7.648919
-
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17b...
2alpha-(Hydroxymethyl)-5alpha-androstane-3beta,17beta-diol
ME161314
-
C14970
1.0844821
-
(2-Chlorophenyl)diphenylmethane
(2-Chlorophenyl)diphenylmethane
ME162592
-
-
6.6523366
-
2-Cyanopyridine
2-Cyanopyridine
ME162875
-
C02221
7.6488957
-
2'-Deoxyuridine
Deoxyuridine
ME161808
-
C00526
1.6537197
-
2-Fluoroaniline
2-Fluoroaniline
ME161937
-
C11010
2.2883675
-
2-Fluoroaniline + 1.5872291
2-Fluoroaniline
ME163054
-
C11010
1.5872291
-
2-Formyl-1-indanone
-
ME162840
-
C07719
7.342805
-
2'-Hydroxydihydrodaidzein
2'-Hydroxydihydrodaidzein
ME161840
-
C03567
1.7302556
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME162541
-
C16582
6.4073725
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME161887
-
-
1.941181
-
2'-O-Methyladenosine
2'-O-Methyladenosine
ME162537
-
C04779
6.399857
-
2-oxo-5-amino-pentanoic acid
5-Amino-2-oxopentanoic acid
ME162694
-
C01110
6.83269
-
2-Oxo-9-methylthiononanoic acid
-
ME163049
-
C17228
1.5723234
-
2-Oxo-delta3-4,5,5-trimethylcyclopentenylacetate
-
ME163017
-
C07159
1.2087672
-
2R-amino-butanoic acid + 6.82218
2R-Aminobutyric acid
ME162702
-
C02261
6.82218
-
2S-amino-pentanoic acid
2S-Aminopentanoic acid
ME161767
-
C01826
1.5343401
-
2S-amino-pentanoic acid + 1.9324512
2S-Aminopentanoic acid
ME161885
-
C01826
1.9324512
-
2S-amino-pentanoic acid + 6.319823
2S-Aminopentanoic acid
ME162507
-
C01826
6.319823
-
2S-amino-pentanoic acid + 6.656693
2S-Aminopentanoic acid
ME162614
-
C01826
6.656693
-
2S-amino-pentanoic acid + 6.959881
2S-Aminopentanoic acid
ME162755
-
C01826
6.959881
-
2S-amino-tridecanoic acid
2S-Aminotridecanoic acid
ME162100
-
C13795
4.27988
-
2S-amino-tridecanoic acid + 6.56059
2S-Aminotridecanoic acid
ME162563
-
C13795
6.56059
-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid
-
ME161282
-
-
1.0725418
-
3,3'-Biflaviolin
3,3'-Biflaviolin
ME161807
-
C18013
1.6538016
-
3,4-Dihydroxybenzylamine
3,4-Dihydroxybenzylamine
ME161842
-
-
1.7464333
-
3-(a-Naphthoxy)lactic acid glucuronide
-
ME161973
-
-
2.9584527
-
3b,17a,21-Trihydroxypregnenone
3beta,17alpha,21-Trihydroxy-pregnenone
ME161724
-
C05487
1.3938074
-
3b,17a,21-Trihydroxypregnenone + 1.4572551
3beta,17alpha,21-Trihydroxy-pregnenone
ME161755
-
C05487
1.4572551
-
3beta-hydroxy-4beta-methyl-5alpha-cholest-7-ene-4a...
3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carbaldehyde
ME161244
-
C11509
1.0519689
-
3-Buten-1-amine
3-Buten-1-amine
ME162504
-
C12244
6.3197694
-
3-Butynoate
3-Butynoic acid
ME162860
-
C06144
7.5481524
-
3-Butynoate + 1.091489
3-Butynoic acid
ME163208
-
C06144
1.091489
-
3-Cyano-L-alanine
Dihydrouracil
ME162463
-
C02512
6.1465983
-
3?-Hydroxy-12-oxo-5?-chol-6-en-24-oic Acid
-
ME163327
-
-
1.1548241
-
3-Hydroxy-4-methoxyphenylacetic acid
-
ME162958
-
-
0.9300586
-
3-Hydroxy-4-methylanthranilate
-
ME161851
-
C03986
1.8311125
-
3-Hydroxy-palmitic acid methyl ester
Cyclopamine
ME163413
-
C11849
1.2287426
-
3-Hydroxysuberic acid
3-Hydroxysuberic acid
ME161769
-
-
1.5365499
-
3-Imidazole-2-oxopropanoate
3-Imidazol-1-yl-2-oxopropanoic acid
ME161939
-
C03762
2.2981129
-
3-Indoleacetic Acid
Indoleacetic acid
ME162003
-
C00954
3.34169
-
3-ketosphinganine
3-Ketosphinganine
ME161564
-
C02934
1.2340895
-
3-ketosphingosine
3-Ketosphingosine
ME161522
-
C06121
1.2158562
-
3-methoxy Prostaglandin F1?
-
ME161504
-
-
1.1862227
-
3-Methyl-2-butenoic acid
beta,beta-Dimethyl acrylic acid
ME161509
-
-
1.1939839
-
3-Methyl-quinolin-2-ol
-
ME162245
-
C06345
4.931611
-
3-O-Methylanhydrotuberosin
3-O-Methylanhydrotuberosin
ME163306
-
-
0.7706163
-
3-oxo-dodecanoic acid
3-Oxododecanoic acid
ME161582
-
C02367
1.2423513
-
3R-aminononanoic acid
3R-Aminononanoic acid
ME162446
-
-
6.019514
-
(3Z,6Z,9Z)-dodecatrienol
-
ME161702
-
C08375
1.3049446
-
4,4-difluoro-1?,25-dihydroxyvitamin D3 / 4,4-diflu...
-
ME162990
-
-
1.113789
-
4,5,6,7-Tetrahydroisoxazolo(5,4-c)pyridin-3-ol
-
ME162531
-
C13693
6.386847
-
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME163347
-
C05639
1.802759
-
4,7,10,13-Hexadecatetraenoic acid
4,7,10,13-Hexadecatetraenoic acid
ME161336
-
-
1.0977863
-
4-Acetamido-2-amino-6-nitrotoluene
-
ME161951
-
C16420
2.5628643
-
4alpha-formyl-4beta-methyl-5alpha-cholesta-8,24-di...
4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol
ME161297
-
-
1.0767372
-
4-Dodecylphenol
4-Dodecylphenol
ME161362
-
C14245
1.1330767
-
4-Heptyloxyphenol
4-Heptyloxyphenol
ME161421
-
C14236
1.137754
-
4-Hydroxyaminoquinoline N-oxide
4-(Hydroxyamino)quinoline N-oxide
ME161953
-
C04050
2.564377
-
4-Hydroxyindole
4-Hydroxyindole
ME161168
-
C02040
0.7999384
-
4-Methylaminobutanal
4-(Methylamino)butanal
ME163039
-
C10974
1.2688656
-
4-Methylene-L-glutamine
4-Methylene-glutamine
ME162880
-
C01109
7.691398
-
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol gluc...
-
ME162927
-
C19605
8.5739155
-
4-Nitroaniline
4-Nitroaniline
ME161846
-
C02126
1.7614093
-
4-Nitroaniline + 2.7460015
4-Nitroaniline
ME161960
-
C02126
2.7460015
-
4-Nitroaniline + 3.668444
4-Nitroaniline
ME162021
-
C02126
3.668444
-
4-oxo-2-Nonenal
-
ME161304
-
-
1.1155127
-
4-oxo-9Z,11E,13E-octadecatrienoic acid
alpha-Licanic acid
ME161340
-
C08319
1.1009626
-
4-Vinylcyclohexene
-
ME161444
-
C19310
1.1518548
-
5-(1-Hydroxyethyl)-4-methylthiazole
-
ME162874
-
-
7.64864
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME161855
-
-
1.8640534
-
5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroqui...
-
ME162002
-
C06726
3.3248916
-
5,6-epoxy-18R-HEPE
-
ME163219
-
C18175
1.1154392
-
5,6-Indolequinone-2-carboxylic acid
5,6-Indolequinone-2-carboxylic acid
ME163076
-
C17938
2.2974086
-
5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
5,7,2'-Trihydroxy-3,6,4',5'-tetramethoxyflavone
ME163248
-
-
2.966713
-
5-Aminopentanamide
5-Aminopentanamide
ME161799
-
C00990
1.6189432
-
5?-Chola-3,8(14),11-trien-24-oic Acid
-
ME161868
-
-
1.8787795
-
5?-Cholane-3?,7?,23,24-tetrol
-
ME162341
-
-
5.672421
-
5?-Deoxy-5?-(methylthio)adenosine
5'-Methylthioadenosine
ME161926
-
C00170
2.1648464
-
5-Dodecenoic acid
5-Dodecenoic acid
ME161324
-
-
1.0899496
-
5-hexenal
5-Hexenal
ME162347
-
-
5.697753
-
5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
5-Hydroxy-3,6,7,2',4',5'-hexamethoxyflavone
ME163357
-
-
4.2780056
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME163339
-
C05635
1.5452938
-
5-Hydroxytryptophan
5-Hydroxy-tryptophan
ME163133
-
C01017
6.060743
-
5-Methoxytryptophan
5-Methoxytryptophan
ME162216
-
-
4.7946258
-
5-Methylcytidine
5-Methylcytidine
ME162031
-
-
3.7899442
-
5-Methylcytidine + 6.077912
5-Methylcytidine
ME162452
-
-
6.077912
-
5-Methylcytidine + 9.106024
5-Methylcytidine
ME162943
-
-
9.106024
-
5-Methylcytosine
5-Methylcytosine
ME162147
-
C02376
4.4695187
-
5-Methyldeoxycytidine
5-Methyldeoxycytidine
ME162146
-
C03592
4.469048
-
5-Methylthioribose
5-Methylthioribose
ME161984
-
C03089
3.0358496
-
5-O-?-D-Mycaminosyltylactone
CHEMBL296286
ME162077
-
C12001
4.1915216
-
5-O-(Indol-3-ylacetyl-myo-inositol) D-galactoside
5-O-(Indol-3-ylacetyl)-myo-inositol D-galactoside
ME163379
-
C04695
6.180263
-
5-Oxoavermectin ''1a'' aglycone
-
ME162363
-
C11978
5.7634177
-
6-Gingerol
Gingerol
ME162217
-
C10462
4.7910037
-
6-Hydroxynicotine (R)
(S)-6-Hydroxynicotine
ME162871
-
C01056
7.6426883
-
6'-Hydroxysiphonaxanthin
6'-Hydroxysiphonaxanthin
ME163408
-
-
5.4896264
-
6-keto PGE1
6-Keto PGE1
ME163013
-
C05962
1.2029549
-
6-methyltetrahydropterin
6-Methyltetrahydropterin
ME161912
-
-
2.1584811
-
(6S)-dehydrovomifoliol
(6S)-Dehydrovomifoliol
ME163337
-
C02533
1.4714152
-
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME162951
-
C01037
9.950603
-
7a-Hydroxy-3-oxo-4-cholenoic acid
-
ME162966
-
-
1.1145232
-
7-Mercaptoheptanoylthreonine
-
ME162792
-
C16594
7.1226935
-
7-Methylguanine
7-Methylguanine
ME162062
-
C02242
4.086957
-
7S,8S-dihydroxy-9Z,12Z,15Z-octadecatrienoic acid
7S,8S-DiHOTrE
ME161339
-
C07357
1.097548
-
8-hydroxy Guanosine
8-Hydroxyguanosine
ME161905
-
-
2.127978
-
8(S)-HETrE
8S-HETrE
ME163322
-
-
1.1339425
-
(±)9,10-DiHOME
9,10-DiHOME
ME161458
-
C14828
1.1475863
-
(±)9,10-DiHOME + 1.0888939
9,10-DiHOME
ME163207
-
C14828
1.0888939
-
9,12-dioxo-dodecanoic acid
9,12-Dioxo-dodecanoic acid
ME163428
-
-
1.2607647
-
9,12-octadecadienal
9,12-Octadecadienal
ME163005
-
-
1.1570152
-
9-dodecynoic acid
9-Dodecynoic acid
ME161479
-
-
1.1462369
-
9E-heptadecenoic acid
(Z)-9-Heptadecenoic acid
ME162969
-
C16536
1.0719757
-
9(S)-HpOTrE
9S-HpOTrE
ME163012
-
C16321
1.1895744
-
9Z-undecenoic acid
9Z-Undecenoic acid
ME163429
-
-
1.2570957
-
Acetoacetic acid
Acetoacetic acid
ME162891
-
C00164
7.8188577
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME162017
-
C02659
3.6427777
-
Acetophenazine
Acetophenazine
ME163289
-
C06807
6.888448
-
Acetylsulfamethoxazole
-
ME163235
-
C13061
1.3136238
-
Adenine
Adenine
ME162038
-
C00147
3.831744
-
Adenine + 3.1587083
Adenine
ME163090
-
C00147
3.1587083
-
(+)-Adlumine
Adlumine
ME162917
-
C09324
8.348879
-
AK-toxin I
AK toxin I
ME162901
-
C16787
7.926347
-
Alanine
Alanine
ME162821
-
C01401
7.210038
-
Allantoin
Allantoin
ME161862
-
C01551
1.8813473
-
alpha-D-galactosyl undecaprenyl diphosphate
alpha-D-galactosyl undecaprenyl diphosphate
ME162669
-
C04507
6.7381043
-
alpha-Ionone
alpha-Ionone
ME161569
-
C12286
1.2345767
-
alpha-Methylstyrene
-
ME161454
-
C14395
1.150304
-
Alpinine
Alpinine
ME162867
-
C09331
7.587975
-
a-L-Rhamnose
Rhamnose
ME161778
-
C00507
1.5531787
-
Amikacin
Amikacin
ME163395
-
C06820
7.0735254
-
aminocaproic acid
Aminocaproic acid
ME162191
-
C02378
4.708906
-
Aminopentol
-
ME161373
-
C19805
1.1181566
-
Amiprilose
-
ME162890
-
-
7.8175416
-
Ammothamnine
Oxymatrine
ME161671
-
C10749
1.2769941
-
Androst-4-ene-3alpha,17beta-diol diacetate
-
ME163109
-
C15423
5.011442
-
Androsterone
Androsterone
ME161293
-
C00523
1.0791572
-
Angustibalin
Angustibalin
ME161932
-
C09293
2.2864175
-
Aniracetam
Aniracetam
ME162170
-
C13355
4.617007
-
Ankorine
Ankorine
ME163278
-
C09337
6.3399115
-
AP 23573
-
ME162439
-
C15183
5.949091
-
Arg Arg Arg
Arg-Arg-Arg
ME163376
-
-
5.9671884
-
Arg Arg Met
Arg-Arg-Met
ME163068
-
-
1.867821
-
Arg-OEt
Ethyl arginate
ME162936
-
C01404
8.948673
-
Ascidiacyclamide
-
ME161234
-
C15738
1.0455271
-
Asn-Abu-OH
-
ME162944
-
-
9.107249
-
Asn Cys Cys
Asn-Cys-Cys
ME161876
-
-
1.892552
-
Astrasieversianin XVI
Astrasieversianin XVI
ME163106
-
C08925
4.636721
-
Athamantin
Athamantin
ME161385
-
C09123
1.1239628
-
Athamantin + 1.2098414
Athamantin
ME161535
-
C09123
1.2098414
-
Aureothin
Aureothin
ME162916
-
C15689
8.283623
-
Avocadyne acetate
-
ME163000
-
-
1.1433647
-
Azaconazole
-
ME162440
-
C18701
5.9486256
-
Barringtogenol C
Theasapogenol B
ME162044
-
C08931
3.9616969
-
Batatasin IV
Batatasin IV
ME163002
-
C10247
1.1490388
-
Batrachotoxin
Batrachotoxin
ME162590
-
C13750
6.643933
-
Belladonnine
Belladonnine
ME162334
-
C10845
5.645353
-
Bergenin
Bergenin
ME161922
-
C09919
2.1622493
-
beta-D-Glucosyl-1,4-N-acetyl-D-glucosaminyldiphosp...
-
ME162418
-
C04830
5.8359656
-
Biliverdin IX
Biliverdin
ME163344
-
C00500
1.654554
-
Bisindolylmaleimide I
Bisindolylmaleimide i
ME161285
-
C11238
1.0735351
-
Bitolterol
-
ME163194
-
C06853
7.5482416
-
Borreverine
Borreverine
ME162466
-
C09082
6.172808
-
Boschnialactone + 1.2586726
Boschnialactone
ME161680
-
C09772
1.2586726
-
Bryotoxin A
Bryotoxin A
ME161771
-
C08853
1.5430819
-
Bufadienolide + 1.8836479
-
ME161874
-
C16921
1.8836479
-
Buprenorphine
Buprenorphine
ME162343
-
C08007
5.68811
-
Buprenorphine + 6.8252945
Buprenorphine
ME162705
-
C08007
6.8252945
-
Buprenorphine + 6.915001
Buprenorphine
ME162741
-
C08007
6.915001
-
Buspirone
Buspirone
ME161356
-
C06861
1.1217374
-
Buspirone + 4.3572464
Buspirone
ME162125
-
C06861
4.3572464
-
Butanone
Butanone
ME161675
-
C02845
1.2724594
-
Butoctamide hydrogen succinate
Listomin S
ME162762
-
C12946
6.989814
-
Butyric acid
Butyric acid
ME161839
-
C00246
1.7315768
-
C18-OH Sulfatide
-
ME162342
-
-
5.662143
-
C25:4 Highly branched isoprenoid B
-
ME162959
-
-
1.0928196
-
Caproic acid
Caproic acid
ME161667
-
C01585
1.2912201
-
?-Caprolactam
Epsilon-caprolactam
ME161788
-
C06593
1.5871117
-
Capryloylglycine
Capryloylglycine
ME161751
-
-
1.4579339
-
Capsi-amide
Capsiamide
ME163315
-
C17515
1.0795077
-
?-Captrolactone
-
ME161618
-
C01880
1.2557777
-
carboprost
Carboprost
ME161418
-
-
1.1337794
-
Carboxynorspermidine
Carboxynorspermidine
ME162753
-
C18174
6.959584
-
CE(20:4)
CE 20:4
ME162972
-
-
1.0774299
-
Ceramide (d18:1/16:0)
Cer 18:1;O2/16:0
ME161392
-
C00195
1.1261863
-
Ceramide (d18:1/24:0)
Cer 18:1;O2/24:0
ME162985
-
C00195
1.1153939
-
Ceramide (d18:1/24:1(15Z))
Cer 18:1;O2/24:1(15Z)
ME161376
-
C00195
1.1221131
-
Cer(d18:2/16:0)
Cer 18:2;O2/16:0
ME162986
-
-
1.1204612
-
Chalconaringenin 2',4'-di-O-glucoside
Chalconaringenin 2',4'-di-O-glucoside
ME163362
-
-
5.4650803
-
Chaparrinone
Chaparrinone
ME163006
-
C08757
1.1589627
-
Chaulmoogric acid
Chaulmoogric acid
ME161380
-
C08282
1.0990576
-
Chivosazole F
-
ME162708
-
C15733
6.8318305
-
Chivosazole F + 7.4589205
-
ME163192
-
C15733
7.4589205
-
Chlorambucil
Chlorambucil
ME161925
-
C06900
2.1672678
-
Chlorocresol
-
ME163083
-
C14331
3.005084
-
Chlorophyll b
Chlorophyll B
ME163360
-
C05307
4.724706
-
Cholestenone
Cholestenone
ME161318
-
C00599
1.0824918
-
cholesteryl beta-D-glucoside
Cholesteryl beta-D-glucoside
ME161661
-
C03855
1.2646005
-
Cinnamyl alcohol
Cinnamyl alcohol
ME161455
-
C02394
1.1496845
-
Cinnamyl alcohol + 1.4422443
Cinnamyl alcohol
ME161746
-
C02394
1.4422443
-
Cinnamyl alcohol + 1.5503812
Cinnamyl alcohol
ME161776
-
C02394
1.5503812
-
clavirin II
Clavirin II
ME162361
-
-
5.726158
-
Clitidine
-
ME161994
-
C19977
3.1375344
-
CMP-pseudaminic acid
CMP-pseudaminic acid
ME163313
-
C20083
1.0360416
-
Compound III(S)
Compound III(S)
ME162272
-
C06495
5.207351
-
Convoline
Convoline
ME161916
-
C10855
2.1635633
-
Corey PG-Lactone Diol
-
ME162559
-
-
6.5342627
-
Corey PG-Lactone Diol + 1.133648
-
ME163217
-
-
1.133648
-
Creatine
Creatine
ME162833
-
C00300
7.2951646
-
Creatinine
Creatinine
ME162127
-
C00791
4.378695
-
Creatinine + 7.2947903
Creatinine
ME162834
-
C00791
7.2947903
-
Cucurbitine
-
ME162813
-
C10140
7.1465015
-
Curacin A
Curacin A
ME162137
-
C11689
4.417174
-
Cuscohygrine
Cuscohygrine
ME161578
-
C06521
1.2376783
-
Cyclopamine
Cyclopamine
ME163417
-
C10798
4.236847
-
Cyclopropylamine
Cyclopropylamine
ME162757
-
C14150
6.960572
-
Cys His Ser
Cys-His-Ser
ME162616
-
-
6.6672487
-
Cytidine
Cytidine
ME162085
-
C00475
4.228518
-
Cytochalasin B
Cytochalasin B
ME163255
-
C19954
4.311219
-
Cytosine
Cytosine
ME162034
-
C00380
3.7902985
-
Cytosine + 4.227604
Cytosine
ME162084
-
C00380
4.227604
-
Cytosine + 4.314314
Cytosine
ME162110
-
C00380
4.314314
-
D-2-Aminobutyric acid
2R-Aminobutyric acid
ME161881
-
C02261
1.9040687
-
D-2-Amino-hexano-6-lactam
Undecylprodigiosin
ME162949
-
C05328
9.330056
-
D-Alanine
D-Alanine
ME162012
-
C00133
3.5739682
-
D-Alanine + 6.7376966
D-Alanine
ME162660
-
C00133
6.7376966
-
D-Alanine + 7.295138
D-Alanine
ME162827
-
C00133
7.295138
-
Darlingine
Darlingine
ME163037
-
C10857
1.2609951
-
D-Asparagine
D-Asparagine
ME161956
-
C01905
2.6352746
-
D-Asparagine + 3.0625474
D-Asparagine
ME161986
-
C01905
3.0625474
-
D-Asparagine + 3.5735521
D-Asparagine
ME162013
-
C01905
3.5735521
-
D-Biotin
Biotin
ME163252
-
C00120
3.9212277
-
d-Dethiobiotin
Dethiobiotin
ME162087
-
C01909
4.23153
-
d-Dethiobiotin + 4.5324354
Dethiobiotin
ME162157
-
C01909
4.5324354
-
Debneyol
Debneyol
ME161411
-
C09653
1.1282991
-
Decaline
Decaline
ME162857
-
C10589
7.5128465
-
Decaline + 7.456029
Decaline
ME163295
-
C10589
7.456029
-
Decarbamoylsaxitoxin
-
ME161815
-
C20021
1.6776861
-
Demethyltexasin
Demethyltexasin
ME161160
-
C14314
0.7356324
-
Deoxycytidine
Deoxycytidine
ME162111
-
C00881
4.3147187
-
Deoxyguanosine
Deoxyguanosine
ME161997
-
C00330
3.1589007
-
Deoxymiroestrol
Deoxymiroestrol
ME161263
-
C18164
1.0675449
-
Deoxyvasicinone
Deoxyvasicinone
ME162225
-
C10659
4.8083916
-
Dextroamphetamine
Dextroamphetamine
ME163092
-
C07884
3.4751046
-
DG(15:0/16:1(9Z)/0:0)
DG 15:0/16:1(9Z)/0:0*
ME161273
-
-
1.0733875
-
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)
DG 15:0/18:4(6Z,9Z,12Z,15Z)/0:0*
ME161305
-
-
1.0844543
-
DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG 15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME163328
-
-
1.1618862
-
DG(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)
DG 15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME163226
-
-
1.1819592
-
DG(18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0)
DG 18:2(9Z,12Z)/18:3(6Z,9Z,12Z)/0:0*
ME163312
-
-
1.0234065
-
DG(18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0)
DG 18:3(6Z,9Z,12Z)/20:4(5Z,8Z,11Z,14Z)/0:0*
ME163311
-
-
1.0194954
-
DG(20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0...
DG 20:3(5Z,8Z,11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0*
ME162992
-
-
1.1243834
-
DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)
DG 22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0*
ME161344
-
-
1.1028801
-
DG(22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:...
DG 22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0*
ME161372
-
-
1.118149
-
DGDG(18:2(9Z,12Z)/18:2(9Z,12Z)[15(R)OH-18:2(9Z,12Z...
-
ME163361
-
-
5.452849
-
?-D-Glucose
Glucose
ME161962
-
C00267
2.7738783
-
D-Glucosyldihydrosphingosine
D-Glucosyldihydrosphingosine
ME163027
-
C03858
1.2545047
-
Diazepam
Diazepam
ME161913
-
C06948
2.1594338
-
Dibutyl phthalate
Dibutyl phthalate
ME161252
-
C14214
1.0597287
-
Dicyclohexylamine
N,N-Dicyclohexylamine
ME162142
-
C14686
4.451823
-
Didrovaltratum
Didrovaltratum
ME161284
-
C09776
1.0864221
-
Diethanolamine
Diethanolamine
ME162490
-
C06772
6.208659
-
Diethanolamine + 6.678039
Diethanolamine
ME162627
-
C06772
6.678039
-
Diethylene glycol
Diethylene glycol
ME163052
-
C14689
1.6272333
-
Dihomo-?-linolenoyl-EA
Dihomo-gamma-linolenoyl-EA
ME161579
-
C13828
1.2450869
-
Dihomomethionine
Dihomomethionine
ME161961
-
C17217
2.763817
-
Dihydroartemisinin
Dihydroartemisinin
ME163180
-
-
7.1035924
-
Dihydrocortisol
Dihydrocortisol
ME163242
-
C05471
1.9058994
-
Diisooctyl phthalate
Diisooctyl phthalate
ME161230
-
C14577
1.0447284
-
Diltiazem
Diltiazem
ME161836
-
C06958
1.7256956
-
Dimethametryn
-
ME163056
-
C18537
1.5883565
-
Dinor-PGD2
Dinor-PGD2
ME161424
-
-
1.1428493
-
Diosmetin
Diosmetin
ME163086
-
C10038
3.0244029
-
Dipropyl disulfide
Dipropyl disulfide
ME161946
-
C08373
2.4042609
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME161794
-
-
1.6105052
-
DL-2-amino-octanoic acid + 6.4934916
2-Aminocaprylic acid
ME162553
-
-
6.4934916
-
DL-2-amino-octanoic acid + 7.0471787
2-Aminocaprylic acid
ME162773
-
-
7.0471787
-
dl-alpha-Tocopherol nicotinate
Vitamin E Nicotinate
ME162719
-
C12981
6.8590055
-
D-Leucic acid
D-Leucic acid
ME163070
-
C03264
1.9006482
-
DL-pipecolic acid + 6.6582723
Pipecolic acid
ME162611
-
C00408
6.6582723
-
DL-Serine
Serine
ME162677
-
C00716
6.7850647
-
D-myo-Inositol-1,2,4,5,6-pentaphosphate
-
ME162383
-
C04563
5.8358884
-
Dodecanedioic acid
Dodecanedioic acid
ME161607
-
C02678
1.2545176
-
Dolastatin 11
-
ME162442
-
C16905
5.957612
-
D-Phenylalanine
D-Phenylalanine
ME162434
-
C02265
5.955865
-
D-Proline
D-Proline
ME161857
-
C00763
1.8627179
-
D-Proline + 4.22679
D-Proline
ME162082
-
C00763
4.22679
-
D-Proline + 6.653455
D-Proline
ME162599
-
C00763
6.653455
-
Ectocarpen
Ectocarpen
ME161462
-
C16993
1.1514455
-
Ectoine
Ectoine
ME162870
-
C06231
7.634795
-
Eicosanedioic acid
Eicosanedioic acid
ME163325
-
-
1.1674825
-
Embelin
Embelin
ME161406
-
C10342
1.1563085
-
Enalkiren
Enalkiren
ME163409
-
C07466
6.755967
-
Enniatin B4
Enniatin B4
ME162445
-
C15757
5.9670935
-
(-)-Epinephrine
Epinephrine
ME161833
-
C00788
1.7228727
-
Epinephrine sulfate
Epinephrine sulfate
ME161175
-
-
0.88739944
-
Eplerenone
Eplerenone
ME161448
-
C12512
1.1493633
-
Erythrohydrobupropion
Erythrohydrobupropion
ME162115
-
-
4.3161874
-
Erythromycin estolate
Erythromycin estolate
ME162653
-
C08031
6.7114573
-
Erythromycin estolate + 6.7943406
Erythromycin estolate
ME162697
-
C08031
6.7943406
-
Estradiol-17-phenylpropionate
-
ME163210
-
C14645
1.1060929
-
Ethambutol aldehyde
-
ME161897
-
-
2.0545263
-
Ethyl 3-(N-butylacetamido)propionate
-
ME161730
-
C18830
1.4088768
-
Ethyl acetate
Ethyl acetate
ME161684
-
C00849
1.2749375
-
Evodiamine
Evodiamine
ME162159
-
C09187
4.542899
-
Faropenem
Faropenem
ME161914
-
C13310
2.1597743
-
Faropenem + 2.889555
Faropenem
ME163082
-
C13310
2.889555
-
Ferimzone
Ferimzone
ME161361
-
C18579
1.1297677
-
Ferimzone + 1.587867
Ferimzone
ME163057
-
C18579
1.587867
-
Fexofenadine
Fexofenadine
ME162303
-
C06999
5.5354357
-
Fexofenadine + 5.6458764
Fexofenadine
ME162333
-
C06999
5.6458764
-
Fibrin
Fibrin
ME162542
-
C00290
6.433407
-
Fortimicin FU-10
-
ME162124
-
C17971
4.3575306
-
Fosinopril
Fosinopril
ME162681
-
C07016
6.7719574
-
furazolidone
Furazolidone
ME162455
-
C07999
6.1113214
-
Gabapentin
Gabapentin
ME161682
-
C07018
1.2758588
-
Galactonic acid
Galactonic acid
ME163259
-
C00880
4.5872617
-
GalCer(d18:2/22:0)
GalCer 18:2;O2/22:0
ME161687
-
-
1.28474
-
Gallopamil
Gallopamil
ME163129
-
C13764
5.9701333
-
Gambieric acid B
-
ME162695
-
C16886
6.79865
-
(+)-gamma-Hydroxy-L-homoarginine
gamma-Hydroxy-homoarginine
ME162806
-
C08286
7.147945
-
gamma-Nonalactone
(S)-4-Nonanolide
ME161335
-
C08501
1.1251279
-
Geniposidic acid
Geniposidic acid
ME161858
-
C11673
1.8674428
-
Gibberellin A3
Gibberellin A3
ME162685
-
C01699
6.7760186
-
Gln Trp Glu
Gln-Trp-Glu
ME163366
-
-
5.655397
-
Glucosylceramide (d18:1/16:0)
-
ME161703
-
C01190
1.3247412
-
Glucosylceramide (d18:1/16:0) + 1.4790593
GlcCer 18:1;O2/16:0
ME161761
-
C01190
1.4790593
-
Glucosylceramide (d18:1/24:1(15Z))
-
ME161685
-
C01190
1.2865404
-
Glucosylceramide (d18:1/24:1(15Z)) + 1.4387408
GlcCer 18:1;O2/24:1
ME161745
-
C01190
1.4387408
-
Glutamine
Glutamine
ME161959
-
C00064
2.7383006
-
Glutathione, oxidized
Oxidized glutathione
ME161909
-
C00127
2.1594422
-
Glycidyl oleate
-
ME161203
-
C19426
1.119708
-
Gly Cys Trp
Gly-Cys-Trp
ME161693
-
-
1.2832457
-
Gö 6983
-
ME162978
-
-
1.0808438
-
GPSer(18:0/18:1(9Z))
PS 18:0/18:1(9Z)
ME162290
-
C02737
5.448682
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME162457
-
C03139
6.0983543
-
Guanidinosuccinic Acid + 6.1773696
Guanidinosuccinic acid
ME162473
-
C03139
6.1773696
-
Guazatine
Guazatine
ME162061
-
C10997
4.0853767
-
GW 9662
-
ME161178
-
C15627
0.9295518
-
Gymnodimine
Gymnodimine
ME162324
-
C20025
5.623964
-
Gymnodimine + 6.7119865
Gymnodimine
ME162647
-
C20025
6.7119865
-
Gymnodimine + 6.8054833
Gymnodimine
ME162701
-
C20025
6.8054833
-
HA-1077
-
ME162788
-
-
7.1036997
-
Harmalol
Harmalol
ME162000
-
C06537
3.2085829
-
Harmalol + 4.906716
Harmalol
ME162244
-
C06537
4.906716
-
Hecogenin
Hecogenin
ME161521
-
C08902
1.2045225
-
Heliamine
Heliamine
ME162777
-
C09460
7.0484853
-
Hemigossypol
Hemigossypol
ME163058
-
C09680
1.5901996
-
Heptanoic acid
Heptylic acid
ME161610
-
C05799
1.2514364
-
Hexazinone
-
ME161848
-
C10926
1.7872953
-
Hexazinone + 2.021875
-
ME161895
-
C10926
2.021875
-
Hispidol
(Z)-4',6-Dihydroxyaurone
ME161162
-
C08644
0.74429685
-
Histamine
Histamine
ME163195
-
C00388
7.5740147
-
Hodgkinsine
Hodgkinsine
ME163364
-
C09211
5.601868
-
Homaline
Homaline
ME161278
-
C10599
1.0733131
-
Homomethionine
Homomethionine
ME161992
-
C17213
3.0937402
-
HPF
-
ME161779
-
-
1.5569327
-
Hydnocarpic acid
Hydnocarpic acid
ME161490
-
C16795
1.1733196
-
Hygrine
Hygrine
ME161768
-
C06179
1.5406988
-
Hymenoflorin
Hymenoflorin
ME161451
-
C09480
1.1493529
-
Hypoglycin
-
ME162257
-
C08287
5.0487785
-
Hypoxanthine
Hypoxanthine
ME161964
-
C00262
2.8386796
-
Hypoxanthine + 3.086139
Hypoxanthine
ME161991
-
C00262
3.086139
-
IBMX
-
ME161700
-
C13708
1.302048
-
Indican
Indican
ME161980
-
C08481
3.012869
-
Indole-3-acetaldoxime N-oxide
Indole-3-acetaldoxime N-oxide
ME161803
-
C17204
1.6340783
-
Indole-3-acetaldoxime N-oxide + 5.5751677
Indole-3-acetaldoxime N-oxide
ME162311
-
C17204
5.5751677
-
Indole-3-ethanol
Tryptophanol
ME162652
-
C00955
6.7169604
-
Indoleacrylic acid
Indoleacrylic acid
ME162368
-
C00331
5.824093
-
Indoleacrylic acid + 5.8675737
Indoleacrylic acid
ME162419
-
C00331
5.8675737
-
Indospicine
Indospicine
ME162566
-
C08288
6.5858164
-
Inulicin
-
ME161690
-
C09483
1.2867934
-
Irbesartan
Irbesartan
ME163128
-
C07469
5.9553537
-
Iriomoteolide 1a
-
ME162711
-
C20009
6.840804
-
Isobutyronitrile
Isobutyronitrile
ME162600
-
C02420
6.653347
-
Isopentenyladenine
N6-Isopentenyladenine
ME162862
-
C04083
7.5485244
-
Isosafrole
Isosafrole
ME161260
-
C10472
1.066141
-
Isosafrole + 1.1335262
Isosafrole
ME161408
-
C10472
1.1335262
-
Isovalerylalanine
Isovalerylalanine
ME162001
-
-
3.2196655
-
Istamycin C1
-
ME162078
-
C17996
4.1909657
-
Ivermectin B1a
-
ME162443
-
C07970
5.9519877
-
Jasmonic acid
Jasmonic acid
ME161364
-
C08491
1.1927333
-
KAPA
Acetoacetic acid
ME161770
-
C01092
1.540136
-
Kukoamine B
-
ME161972
-
C17616
2.96017
-
L-alpha-Aspartyl-L-hydroxyproline
-
ME161854
-
-
1.8584633
-
Lankacidin C
-
ME163423
-
C15758
1.0817
-
L-Arginine
Arginine
ME162930
-
C00062
8.715344
-
L-Ascorbic acid
Vitamin C
ME161161
-
C00072
0.738635
-
Lasonolide A
-
ME163110
-
C19903
5.0245934
-
L-beta-aspartyl-L-threonine
-
ME161996
-
-
3.153038
-
L-Cladinose
L-Cladinose
ME161879
-
C11917
1.8969164
-
Lentiginosine
Lentiginosine
ME162786
-
C10155
7.077419
-
Lentiginosine + 1.3061546
Lentiginosine
ME163041
-
C10155
1.3061546
-
Leucodelphinidin 3-O-(beta-D-glucopyranosyl-(1-4)-...
-
ME162321
-
-
5.624102
-
Leu-leu-tyr
Leu-Leu-Tyr
ME162816
-
C11331
7.156671
-
Leu Tyr
Leu-Tyr
ME161880
-
-
1.8959446
-
L-Formylkynurenine
N-Formyl-L-kynurenine
ME163134
-
C02700
6.1699133
-
L-Glutamate 5-semialdehyde
L-Glutamic-gamma-semialdehyde
ME161954
-
C01165
2.5747325
-
(±)-Limonene
Limonene
ME163404
-
-
1.2596614
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME161459
-
C07271
1.1485678
-
Limonene-1,2-epoxide + 1.4060118
Limonene-1,2-epoxide
ME161728
-
C07271
1.4060118
-
Lindheimerine
Lindheimerine
ME162760
-
C08695
6.9929986
-
?-Linolenic Acid
Octadecatrienoic acid
ME161298
-
C06427
1.087934
-
Linoleoyl Ethanolamide
Linoleoyl-EA
ME161506
-
-
1.1889015
-
L-isoleucyl-L-proline
Ile-Pro
ME162911
-
-
8.215546
-
L-isoleucyl-L-proline + 8.420621
Ile-Pro
ME162922
-
-
8.420621
-
L-Leucine
Leucine
ME162787
-
C00123
7.0991254
-
l-Methamphetamine
Methamphetamine
ME162071
-
C07164
4.148058
-
L-Methionine
Methionine
ME162016
-
C00073
3.6429126
-
L-Methionine S-oxide
Methionine sulfoxide
ME161748
-
C02989
1.4467877
-
L-Methionine S-oxide + 7.688807
Methionine sulfoxide
ME162881
-
C02989
7.688807
-
L-Norleucine
Norleucine
ME161818
-
C01933
1.6932186
-
L-Norleucine + 6.0978947
Norleucine
ME162454
-
C01933
6.0978947
-
L-Norleucine + 6.176548
Norleucine
ME162469
-
C01933
6.176548
-
Lovastatin acid (Mevinolinic acid)
-
ME163123
-
-
5.9288664
-
Loxoprofen Metabolite (b-D-Glucopyranuronic acid, ...
-
ME163245
-
-
2.1652963
-
Loxtidine
Loxtidine
ME161353
-
C11805
1.1108028
-
Loxtidine + 1.1110786
Loxtidine
ME161355
-
C11805
1.1110786
-
L-Pipecolic acid
Pipecolic acid
ME162284
-
C00408
5.3569207
-
L-Threonine
Threonine
ME162580
-
C00188
6.673125
-
Lupanyl Acid
-
ME161943
-
-
2.3022113
-
Lupanyl Acid + 3.9595964
-
ME162043
-
-
3.9595964
-
Lysine
Lysine
ME163422
-
C16440
8.990875
-
Lys-Lys-OH
-
ME162004
-
-
3.347584
-
LysoPE(0:0/16:0)
LPE 0:0/16:0
ME162353
-
-
5.7185373
-
LysoPE(0:0/16:1(9Z))
LPE 0:0/16:1(9Z)
ME163190
-
-
7.323031
-
LysoPE(0:0/18:0)
LPE 0:0/18:0
ME162337
-
-
5.6583056
-
LysoPE(0:0/18:0) + 6.773583
LPE 0:0/18:0
ME162684
-
-
6.773583
-
LysoPE(0:0/18:0) + 6.8673964
LPE 0:0/18:0
ME162722
-
-
6.8673964
-
LysoPE(0:0/18:1(11Z))
LPE 0:0/18:1(11Z)
ME162307
-
-
5.568454
-
LysoPE(0:0/18:1(11Z)) + 5.671535
LPE 0:0/18:1(11Z)
ME162340
-
-
5.671535
-
LysoPE(0:0/20:0)
LPE 0:0/20:0
ME162630
-
-
6.6885204
-
LysoPE(0:0/20:0) + 6.7854633
LPE 0:0/20:0
ME162689
-
-
6.7854633
-
LysoPE(0:0/22:0)
LPE 0:0/22:0
ME162581
-
-
6.621859
-
LysoPE(0:0/22:0) + 6.722954
LPE 0:0/22:0
ME162657
-
-
6.722954
-
LysoPE(0:0/22:1(13Z))
LPE 0:0/22:1(13Z)*
ME162668
-
-
6.736052
-
LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
LPE 0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME162325
-
-
5.6248355
-
Lys Thr Trp
Lys-Thr-Trp
ME161847
-
-
1.7659953
-
Macrocin
Macrocin
ME162416
-
C00744
5.8461366
-
Melamine
Melamine
ME162049
-
C08737
3.9874303
-
Melengestrol acetate
-
ME161496
-
C14642
1.1818823
-
Mephentermine
Mephentermine
ME162050
-
C07889
4.0012
-
Mesquitol-4beta-ol 3,8-dimethyl ether
Mesquitol-4beta-ol 3,8-dimethyl ether
ME162495
-
-
6.25176
-
Metalaxyl
Metalaxyl
ME163287
-
C10947
6.8561373
-
Metaldehyde
-
ME161928
-
C18744
2.288355
-
MET-enkephalin
MET-enkephalin
ME163375
-
C11684
5.9658327
-
Met Gly His
Met-Gly-His
ME163088
-
-
3.1577623
-
Methiuron
-
ME163353
-
C19086
2.9720387
-
methyl (+)-7-isojasmonate
Methyl-7-isojasmonate
ME163223
-
C16318
1.1494325
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME162130
-
-
4.381767
-
Methylenediurea
Methylenediurea
ME162032
-
C06381
3.78813
-
Methylimidazole acetaldehyde
Methylimidazole acetaldehyde
ME161993
-
C05827
3.118276
-
Methylitaconate
-
ME161967
-
C02295
2.9065425
-
Methylitaconate + 7.548231
-
ME162861
-
C02295
7.548231
-
Methyl N-butyrylglycine
-
ME163350
-
-
2.2263994
-
Methylnoradrenaline
Levonordefrin
ME163400
-
C11768
0.8957567
-
MG(0:0/16:0/0:0)
MG 0:0/16:0/0:0
ME161375
-
-
1.1527176
-
MG(0:0/18:1(9Z)/0:0)
MG 0:0/18:1(9Z)/0:0
ME161470
-
-
1.1561633
-
MG(0:0/18:3(6Z,9Z,12Z)/0:0)
MG 0:0/18:3(6Z,9Z,12Z)/0:0*
ME161403
-
-
1.131286
-
MG(0:0/20:2(11Z,14Z)/0:0)
MG 0:0/20:2(11Z,14Z)/0:0*
ME161363
-
-
1.1227365
-
MG(0:0/22:2(13Z,16Z)/0:0)
MG 0:0/22:2(13Z,16Z)/0:0*
ME161342
-
-
1.1036906
-
MG(0:0/24:1(15Z)/0:0)
MG 0:0/24:1(15Z)/0:0
ME161950
-
-
2.5377781
-
MG(18:0/0:0/0:0)
MG 18:0/0:0/0:0
ME161347
-
-
1.1036855
-
MID42329:(22S)-1?,22,25-trihydroxy-26,27-dimethyl-...
-
ME162468
-
-
6.160147
-
Militarinone A
Militarinone A
ME161427
-
C12333
1.1528153
-
Militarinone B
Militarinone B
ME163296
-
C12334
7.4876575
-
Monuron
Monuron
ME162040
-
C19087
3.8713799
-
Mulberrofuran C
Mulberrofuran C
ME162298
-
C08928
5.4861608
-
Muramic acid
Muramic acid
ME161927
-
C06470
2.1637948
-
Mycobactin S
Mycobactin S
ME163165
-
C12216
6.7312994
-
N1-Acetylspermidine
N1-Acetylspermidine
ME161426
-
C00612
1.1397169
-
N1-Acetylspermidine + 9.039678
N1-Acetylspermidine
ME162939
-
C00612
9.039678
-
N1,N4-Diacetylsulfanilamide
-
ME163321
-
-
1.1239978
-
N2-Acetyl-L-ornithine
N-Acetylornithine
ME162233
-
C00437
4.866964
-
N2-Acetyl-L-ornithine + 7.505078
N-Acetylornithine
ME162853
-
C00437
7.505078
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME162027
-
-
3.7350883
-
N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone
N-(3-hydroxy-7Z-tetradecenoyl)-homoserine lactone
ME162120
-
C11845
4.3255677
-
N-(3-oxo-hexanoyl)-homoserine lactone
N-(3-Oxo-hexanoyl)-homoserine lactone
ME163309
-
C11839
0.92410725
-
N4-Acetylcytidine
N4-Acetylcytidine
ME161942
-
-
2.301084
-
N6,N6-Dimethyladenosine
N(6),N(6)-Dimethyladenosine
ME163348
-
C03416
2.0563102
-
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME161999
-
C03137
3.2105124
-
N?-Acetyl-L-arginine
N-Acetylarginine
ME163377
-
-
5.9756985
-
N-Acetyl-L-Histidine
N-Acetylhistidine
ME162865
-
C02997
7.5775366
-
N-acetyl-S-geranylgeranyl-L-Cysteine
-
ME163221
-
-
1.1228797
-
Nadolol
Nadolol
ME163279
-
C07249
6.3468485
-
Nadolol + 6.457579
Nadolol
ME163280
-
C07249
6.457579
-
Nalidixic acid
Nalidixic acid
ME162015
-
C05079
3.6008804
-
N(alpha)-Benzyloxycarbonyl-L-leucine
N-Benzyloxycarbonyl-L-leucine
ME162714
-
C04335
6.853635
-
N(alpha)-t-Butoxycarbonyl-L-leucine
-
ME162483
-
C04301
6.2090387
-
N(alpha)-t-Butoxycarbonyl-L-leucine + 7.0559106
-
ME162779
-
C04301
7.0559106
-
N-(Aminomethyl)urea
N-(Aminomethyl)urea
ME162035
-
C06383
3.787943
-
Nap-Ile-OH
-
ME162380
-
-
5.8366666
-
n-decanohydroxamic acid
N-Decanohydroxamic acid
ME161725
-
C12889
1.3747275
-
n-decanohydroxamic acid + 1.4612739
N-Decanohydroxamic acid
ME161756
-
C12889
1.4612739
-
N-dodecanoyl-L-Homoserine lactone
N-Dodecanoyl-homoserine lactone
ME162258
-
-
5.046059
-
Nelfinavir
Nelfinavir
ME162767
-
C07257
7.0063252
-
Nelfinavir + 7.450638
Nelfinavir
ME162849
-
C07257
7.450638
-
Ne-Methyl-L-lysine
N(6)-Methyllysine
ME162938
-
C02728
9.063201
-
Netilmicin
Netilmicin
ME162149
-
C07657
4.488249
-
N-Formiminoglycine
N-Formimidoylglycine
ME163354
-
C02718
3.1539679
-
N-hexanoyl-L-Homoserine lactone
-
ME163043
-
-
1.3703777
-
N-Hydroxy-1-aminonaphthalene
-
ME161841
-
C14789
1.7373525
-
Niacinamide
Niacinamide
ME161837
-
C00153
1.7314665
-
Nitrilacarb
-
ME162937
-
C18954
9.017194
-
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME163072
-
C11118
1.9363258
-
N-Methyl-4-pyridone-3-carboxamide
N1-Methyl-4-pyridone-3-carboxamide
ME161899
-
C05843
2.0728695
-
N-Methylformamide
N-Methylformamide
ME163135
-
C11489
6.1738796
-
N-Methylhistamine
1-Methylhistamine
ME163191
-
-
7.392769
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME161983
-
C04259
3.0276031
-
N,N-dimethylhistidine + 4.45251
N,N-Dimethylhistidine
ME162143
-
C04259
4.45251
-
N,N-dimethylsphing-4-enine
N,N-Dimethylsphingosine
ME161546
-
C13914
1.2188791
-
N,N-dimethylsphing-4-enine + 4.1255655
N,N-Dimethylsphingosine
ME162067
-
C13914
4.1255655
-
N-oleoyl ethanolamine + 1.2216221
Oleoyl-EA
ME161548
-
-
1.2216221
-
Nonoxynol-9
Nonoxynol-9
ME163343
-
-
1.6426911
-
Norepinephrine (noradrenaline)
Xi-Norepinephrine
ME163143
-
C00547
6.207168
-
Norepinephrine sulfate
Norepinephrine sulfate
ME161182
-
-
0.9953287
-
Norepinephrine sulfate + 1.0737517
Norepinephrine sulfate
ME161269
-
-
1.0737517
-
Norharman
beta-Carboline
ME163351
-
-
2.7481444
-
Noscapine
alpha-Narcotine
ME162931
-
C09592
8.678719
-
Novobiocic acid
Novobiocic acid
ME162907
-
C12474
8.048765
-
N-palmitoyl glutamic acid
N-Palmitoyl glutamic acid
ME162521
-
-
6.3549566
-
N-palmitoyl glutamic acid + 6.5176063
N-Palmitoyl glutamic acid
ME162556
-
-
6.5176063
-
N-Valerylglycine methyl ester
-
ME161805
-
-
1.648754
-
o-Coumaric acid
trans-o-Coumaric acid
ME162467
-
C01772
6.174449
-
Okanin 4'-(4''-acetyl-6''-p-coumarylglucoside)
-
ME161338
-
-
1.1057636
-
Oleoyl Ethanolamide
Oleoyl-EA
ME161488
-
-
1.1765511
-
Oleoyl Serotonin
-
ME163318
-
-
1.1045661
-
Orsellinic acid
Orsellinic acid
ME161902
-
C01839
2.1097262
-
Otonecine
Otonecine
ME162744
-
C10356
6.921283
-
Otonecine + 1.4471529
Otonecine
ME163044
-
C10356
1.4471529
-
Otonecine + 4.6158233
Otonecine
ME163104
-
C10356
4.6158233
-
PA(20:2(11Z,14Z)/19:0)
PA 20:2(11Z,14Z)/19:0*
ME163319
-
-
1.1157641
-
Palmitic Acid methyl ester
Methyl hexadecanoate
ME162119
-
C16995
4.325129
-
p-Aminobenzoic acid
p-Aminobenzoic acid
ME162776
-
C00568
7.046158
-
p-Aminobenzoic acid + 7.2129807
p-Aminobenzoic acid
ME162822
-
C00568
7.2129807
-
Pantothenic Acid
Pantothenic acid
ME161949
-
C00864
2.520448
-
PA(O-18:0/12:0)
PA O-18:0/12:0
ME162709
-
-
6.831672
-
PD 173074
PD173074
ME162533
-
-
6.382411
-
PE(14:0/10:0)[U]
PE 14:0/10:0*
ME163388
-
-
6.6751556
-
PE(17:0/22:4(7Z,10Z,13Z,16Z))
PE 17:0/22:4(7Z,10Z,13Z,16Z)*
ME162297
-
-
5.491455
-
PE(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))
PE 18:3(6Z,9Z,12Z)/18:2(9Z,12Z)*
ME163114
-
C00350
5.4304347
-
PE(20:0/15:0)
PE 20:0/15:0*
ME163276
-
C00350
6.316049
-
PE(20:1(11Z)/15:0)
PE 20:1(11Z)/15:0*
ME162305
-
C00350
5.576248
-
PE(20:2(11Z,14Z)/18:2(9Z,12Z))
PE 20:2(11Z,14Z)/18:2(9Z,12Z)*
ME162218
-
C00350
4.802058
-
PE(20:2(11Z,14Z)/21:0)
PE 20:2(11Z,14Z)/21:0*
ME162453
-
-
6.132487
-
PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
PE 20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)*
ME162209
-
C00350
4.7748513
-
PE(20:3(5Z,8Z,11Z)/20:2(11Z,14Z))
PE 20:3(5Z,8Z,11Z)/20:2(11Z,14Z)*
ME162335
-
C00350
5.6434307
-
PE(20:3(8Z,11Z,14Z)/17:0)
PE 20:3(8Z,11Z,14Z)/17:0*
ME162472
-
-
6.161041
-
PE(20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z))
PE 20:3(8Z,11Z,14Z)/18:4(6Z,9Z,12Z,15Z)*
ME162213
-
C00350
4.7945743
-
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
PE 20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)*
ME162207
-
C00350
4.7697663
-
PE(20:3(8Z,11Z,14Z)/P-18:0)
-
ME162228
-
C00350
4.8370814
-
PE(20:3(8Z,11Z,14Z)/P-18:1(9Z))
-
ME161642
-
C00350
1.2716798
-
PE(20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z))
PE 20:4(5Z,8Z,11Z,14Z)/20:3(5Z,8Z,11Z)*
ME162197
-
C00350
4.74903
-
PE(20:4(8Z,11Z,14Z,17Z)/P-18:1(9Z))
-
ME162211
-
C00350
4.7862577
-
PE(22:1(13Z)/18:1(11Z))
PE 22:1(13Z)/18:1(11Z)*
ME163385
-
C00350
6.3137946
-
PE(22:1(13Z)/20:4(5Z,8Z,11Z,14Z))
PE 22:1(13Z)/20:4(5Z,8Z,11Z,14Z)*
ME163122
-
C00350
5.8394213
-
PE(22:2(13Z,16Z)/15:0)
PE 22:2(13Z,16Z)/15:0*
ME162302
-
C00350
5.5530453
-
PE(22:4(7Z,10Z,13Z,16Z)/19:0)
PE 22:4(7Z,10Z,13Z,16Z)/19:0*
ME161629
-
-
1.265828
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))
-
ME162212
-
C00350
4.795175
-
PE(22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
PE 22:5(4Z,7Z,10Z,13Z,16Z)/18:4(6Z,9Z,12Z,15Z)*
ME162208
-
C00350
4.7757564
-
PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z))
PE 22:5(4Z,7Z,10Z,13Z,16Z)/22:1(13Z)*
ME163117
-
C00350
5.448762
-
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
-
ME162196
-
C00350
4.7374825
-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)...
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z)*
ME162220
-
C00350
4.8067527
-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))
PE 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)*
ME163118
-
-
5.4764686
-
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
-
ME163359
-
C00350
4.6985397
-
PE(24:1(15Z)/14:1(9Z))
PE 24:1(15Z)/14:1(9Z)*
ME162310
-
C00350
5.578175
-
PE(24:1(15Z)/14:1(9Z)) + 5.6096344
PE 24:1(15Z)/14:1(9Z)*
ME162326
-
C00350
5.6096344
-
Pederin
-
ME161536
-
C15760
1.2058316
-
Pedunculagin
Pedunculagin
ME163119
-
C10236
5.536335
-
PE(O-18:0/0:0)
PE O-18:0/0:0*
ME162359
-
-
5.7415977
-
PE(P-18:0/17:2(9Z,12Z))
PE P-18:0/17:2(9Z,12Z)*
ME163365
-
-
5.6195655
-
PE(P-18:0/22:4(7Z,10Z,13Z,16Z))
PE P-18:0/22:4(7Z,10Z,13Z,16Z)*
ME163407
-
-
4.829559
-
PE(P-20:0/17:1(9Z))
PE P-20:0/17:1(9Z)*
ME162296
-
-
5.457796
-
PG(18:1(11Z)/18:1(9Z))
PG 18:1(11Z)/18:1(9Z)*
ME162971
-
-
1.1199673
-
PG(18:1(11Z)/20:3(5Z,8Z,11Z))
PG 18:1(11Z)/20:3(5Z,8Z,11Z)*
ME162429
-
-
5.9455495
-
PGC2
PGC2
ME161410
-
C05955
1.1480751
-
PGE2
PGE2
ME162993
-
C00584
1.16921
-
PGF1?
PGF1alpha
ME161681
-
C06475
1.2730963
-
Phe Gly Phe Gly
-
ME163345
-
-
1.6964256
-
Phenylenediamine
-
ME162843
-
C02454
7.393098
-
Phenylethylamine
Phenylethylamine
ME162022
-
C05332
3.70951
-
Phlorizin chalcone
-
ME161882
-
C16406
1.9173528
-
PI(16:0/20:5(5Z,8Z,11Z,14Z,17Z))
PI 16:0/20:5(5Z,8Z,11Z,14Z,17Z)*
ME162198
-
-
4.7613006
-
PI(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PI 16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME162186
-
-
4.6667156
-
PI(18:1(11Z)/16:1(9Z))
PI 18:1(11Z)/16:1(9Z)*
ME162199
-
C00626
4.7583895
-
PI(18:1(9Z)/18:1(9Z))
PI 18:1(9Z)/18:1(9Z)*
ME163107
-
C00626
4.729662
-
PI(18:1(9Z)/18:2(9Z,12Z))
PI 18:1(9Z)/18:2(9Z,12Z)*
ME162192
-
-
4.7104692
-
PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PI 18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME162176
-
-
4.652464
-
PI(20:3(5Z,8Z,11Z)/18:1(11Z))
PI 20:3(5Z,8Z,11Z)/18:1(11Z)*
ME162178
-
C00626
4.635655
-
PI(20:3(8Z,11Z,14Z)/18:2(9Z,12Z))
PI 20:3(8Z,11Z,14Z)/18:2(9Z,12Z)*
ME162193
-
C00626
4.646698
-
PI(20:4(8Z,11Z,14Z,17Z)/16:0)
PI 20:4(8Z,11Z,14Z,17Z)/16:0*
ME162185
-
C00626
4.6675854
-
PI(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))
PI 22:1(11Z)/22:4(7Z,10Z,13Z,16Z)*
ME162441
-
-
5.9566607
-
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0*
ME162167
-
C00626
4.6210527
-
Piperidine
Piperidine
ME162456
-
C01746
6.0980835
-
Piperidine + 6.1769915
Piperidine
ME162471
-
C01746
6.1769915
-
Pirbuterol
Pirbuterol
ME162925
-
C07807
8.521822
-
Pirimicarb
Pirimicarb
ME161935
-
C11079
2.2883043
-
Piscerythramine
Piscerythramine
ME162897
-
C10518
7.8594813
-
Poloxalene
-
ME161735
-
-
1.4281267
-
Primflasine
Primflasine
ME161239
-
-
1.049438
-
Procyanidin B1
Procyanidin B1
ME161974
-
C10221
2.9883502
-
Prometon
Prometon
ME163299
-
C14186
7.9244475
-
Propanethial S-oxide
Thial-1-Propene-1-thiol S-oxide
ME162018
-
C08389
3.6413476
-
Propanoylagmatine
Propanoylagmatine
ME163358
-
C02581
4.37832
-
Propofol
Propofol
ME161606
-
C07523
1.2552315
-
Prosopinine
Prosopinine
ME161677
-
-
1.253655
-
Pro Trp Cys
Pro-Trp-Cys
ME161287
-
-
1.0761787
-
PS(14:1(9Z)/0:0)
PS 14:1(9Z)/0:0
ME162883
-
-
7.703299
-
PS(16:0/18:1(9Z))[U]
PS 16:0/18:1(9Z)*
ME162295
-
C13880
5.4751906
-
PS(18:0/20:4(8Z,11Z,14Z,17Z))
PS 18:0/20:4(8Z,11Z,14Z,17Z)*
ME162379
-
C02737
5.835391
-
PS(18:0/22:5(7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:5(7Z,10Z,13Z,16Z,19Z)*
ME162285
-
C02737
5.3751197
-
PS(20:0/0:0)
LPS 20:0/0:0
ME162633
-
-
6.7352467
-
PS(21:0/20:4(5Z,8Z,11Z,14Z))
PS 21:0/20:4(5Z,8Z,11Z,14Z)*
ME162444
-
-
5.963296
-
PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME163363
-
-
5.4804873
-
PS(22:4(7Z,10Z,13Z,16Z)/0:0)
PS 22:4(7Z,10Z,13Z,16Z)/0:0*
ME163161
-
-
6.735529
-
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z))
PS 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(11Z)*
ME162414
-
-
5.8326197
-
Psicofuranine
Angustmycin C
ME162006
-
C05342
3.396048
-
Psicofuranine + 3.517004
Angustmycin C
ME162011
-
C05342
3.517004
-
PS(P-20:0/20:3(8Z,11Z,14Z))
PS P-20:0/20:3(8Z,11Z,14Z)*
ME162293
-
-
5.4770684
-
Pumiliotoxin A
-
ME162103
-
C20033
4.295532
-
Quinolin-2-ol
2-Hydroxyquinoline
ME161433
-
C06338
1.1438377
-
Quinolin-2-ol + 1.9616449
2-Hydroxyquinoline
ME161889
-
C06338
1.9616449
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid
-
ME162491
-
C02237
6.2081575
-
(R)-(+)-2-Pyrrolidone-5-carboxylic acid + 7.156825...
-
ME162804
-
C02237
7.1568255
-
Ramipril
Ramipril
ME162036
-
C07232
3.809555
-
(R)-benzyl Mandelate
-
ME161164
-
-
0.76998836
-
Resveratrol 4'-Methyl Ether
-
ME163097
-
-
4.149179
-
Rhexifoline
Rhexifoline
ME163093
-
C09986
3.5318797
-
Riboflavin (Vitamin B2)
Riboflavin
ME161985
-
C00255
3.0548222
-
Ricinoleic acid
Ricinoleic acid
ME161315
-
C08365
1.0853553
-
Rimantadine
Rimantadine
ME163033
-
C07236
1.2911017
-
Rugosal A
Rugosal
ME161523
-
C09717
1.2021598
-
Ruscopine
Ruscopine
ME161605
-
C08510
1.2542356
-
S-(4-Methylthiobutylthiohydroximoyl)-L-cysteine
-
ME163141
-
C17242
6.2065043
-
S-Acetyldihydrolipoamide
S-Acetyldihydrolipoamide
ME161891
-
C01136
1.9870639
-
Saphenamycin
Saphenamycin
ME163374
-
C12311
5.9658666
-
S-(Carboxymethyl)-L-cysteine
S-Carboxymethyl-cysteine
ME162010
-
C03727
3.4975598
-
sec-Butylbenzene
-
ME163001
-
C14142
1.1326512
-
Sesamex
-
ME161747
-
C19146
1.4458069
-
Sesamex + 1.5498425
-
ME161777
-
C19146
1.5498425
-
Sethoxydim
-
ME161781
-
C18539
1.5755668
-
Sethoxydim + 6.207309
-
ME162486
-
C18539
6.207309
-
Spergualin
Spergualin
ME161299
-
C16747
1.080361
-
Spergualin + 1.1258513
Spergualin
ME161388
-
C16747
1.1258513
-
Sphinganine
Sphinganine
ME162140
-
C00836
4.433731
-
Sphingosine
Sphingosine
ME162073
-
C00319
4.1568027
-
Sphingosine + 4.3871903
Sphingosine
ME162134
-
C00319
4.3871903
-
Staphidine
-
ME161652
-
C08712
1.271624
-
Stearamide
Stearamide
ME161437
-
C13846
1.1336201
-
Strictosidine aglycone
Strictosidine aglycone
ME161359
-
C03309
1.1083748
-
Stypoltrione
-
ME163329
-
-
1.1792867
-
Sugetriol
-
ME161533
-
C17502
1.2182125
-
Sulfathalidine
Phthalylsulfathiazole
ME162288
-
C07659
5.4071345
-
Taurine
Taurine
ME162308
-
C00245
5.5771956
-
Taurocholic acid
Taurocholic acid
ME162042
-
C05122
3.9029086
-
Taurohyocholic acid + 4.3186736
Taurohyocholic acid
ME162118
-
C15516
4.3186736
-
Taurohyocholic acid + 4.596465
Taurohyocholic acid
ME162164
-
C15516
4.596465
-
Taxine B
-
ME162793
-
C19989
7.1898646
-
Tetranactin
-
ME163168
-
C06764
6.746477
-
TG(16:0/17:2(9Z,12Z)/18:2(9Z,12Z))[iso6]
TG 16:0/17:2(9Z,12Z)/18:2(9Z,12Z)*
ME161283
-
-
1.0744252
-
TG(17:0/17:1(10Z)/17:0) (d5)
TG 17:0/17:1(10Z)/17:0*
ME161691
-
-
1.2885
-
TG(18:2(9Z,12Z)/14:0/18:2(9Z,12Z))[iso3]
TG 18:2(9Z,12Z)/14:0/18:2(9Z,12Z)*
ME161256
-
-
1.0698285
-
TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z))[iso3...
TG 18:2(9Z,12Z)/18:2(9Z,12Z)/18:3(6Z,9Z,12Z)*
ME162968
-
-
1.0649006
-
Thr Phe Asp
Thr-Phe-Asp
ME162908
-
-
8.075741
-
Thr Trp Asn
Thr-Trp-Asn
ME161309
-
-
1.0880101
-
THTC
Tetrahydrothiophene-2-carboxylic acid
ME162476
-
C11074
6.1869273
-
Thymidine
Thymidine
ME161795
-
C00214
1.584274
-
Thymine
Thymine
ME161790
-
C00178
1.5834508
-
Thymine + 7.1826386
Thymine
ME163396
-
C00178
7.1826386
-
Traumatic Acid
Traumatic acid
ME161390
-
C16308
1.1800236
-
Traumatic Acid + 1.2060251
Traumatic acid
ME163018
-
C16308
1.2060251
-
Tridemorph
Tridemorph
ME161417
-
C11285
1.1356211
-
Trilobine
Trilobine
ME162619
-
C09669
6.664668
-
Trimethylamine
Trimethylamine
ME162459
-
C00565
6.0988913
-
Trimethylamine + 7.8191104
Trimethylamine
ME162888
-
C00565
7.8191104
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME162624
-
C01104
6.673725
-
Trolamine
Triethanolamine
ME162479
-
C06771
6.2068024
-
Tryptophan
Tryptophan
ME162210
-
C00806
4.781196
-
Tumonoic Acid I
-
ME163317
-
-
1.0914599
-
Tutin
Tutin
ME161434
-
C09570
1.1476514
-
Tutin + 2.6770117
Tutin
ME161958
-
C09570
2.6770117
-
Tutin + 3.0069094
Tutin
ME163084
-
C09570
3.0069094
-
Tylosin
Tylosin
ME162408
-
C01457
5.867512
-
Tyr Glu Ile
Tyr-Glu-Ile
ME162872
-
-
7.6439857
-
Ubiquinone (Q2)
-
ME161387
-
C00399
1.1329608
-
Undecylprodigiosin
Undecylprodigiosin
ME162956
-
C12023
0.90340513
-
Uracil
Uracil
ME161811
-
C00106
1.6533031
-
Uracil + 1.7113016
Uracil
ME161824
-
C00106
1.7113016
-
Urea
Urea
ME161864
-
C00086
1.8798817
-
Urea + 2.1285865
Urea
ME161906
-
C00086
2.1285865
-
Urea + 3.788126
Urea
ME162033
-
C00086
3.788126
-
Uridine
Uridine
ME161941
-
C00299
2.2960243
-
Urocortisol
Tetrahydrocortisol
ME163282
-
C05472
6.556257
-
Valeroidine
Valeroidine
ME161674
-
C10869
1.2671084
-
Val Ile
Val-Ile
ME162934
-
-
8.871842
-
Velloquercetin
Velloquercetin
ME163147
-
C10194
6.3205137
-
Vernolic acid
12S,13R-EpOME
ME161323
-
C08368
1.089021
-
Vernolic acid + 1.1473087
12S,13R-EpOME
ME161445
-
C08368
1.1473087
-
Xamoterol
Xamoterol
ME162636
-
C11775
6.6908283
-
Xamoterol + 9.089115
Xamoterol
ME162941
-
C11775
9.089115
-
Xanthine
Xanthine
ME161988
-
C00385
3.06367
-
Xanthoaphin
Xanthoaphin
ME161301
-
C01863
1.0854591
-
Xeniasterol-a
Xeniasterol-a
ME163202
-
-
1.0918106
-
ZK 168281
ZK 168281
ME162202
-
-
4.69521
-
ZK 168281 + 3.9079714
ZK 168281
ME163415
-
-
3.9079714
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-Oxabenzo[def]chrysen-9-one
-
ME164479
-
C18281
2.2907298
-
10-Oxabenzo[def]chrysen-9-one - 1.5784571
-
ME164584
-
C18281
1.5784571
-
(10S)-Juvenile hormone III diol
-
ME163778
-
C16505
1.1572257
-
(10S)-Juvenile hormone III diol - 1.1661133
-
ME164578
-
C16505
1.1661133
-
1,11-Undecanedicarboxylic acid
Tridecanedioic acid
ME163801
-
-
1.1688803
-
11-Deoxytetrodotoxin
-
ME164406
-
C20026
9.131393
-
11(Z),14(Z)-Eicosadienoic Acid
11Z,14Z-Eicosadienoic acid
ME163618
-
C16525
1.0672239
-
12,13S-epoxy-9Z,11-octadecadienoic acid
-
ME163659
-
C04594
1.0892818
-
1?,25-dihydroxy-11?-[(1R)-oxiranyl]vitamin D3 / 1?...
-
ME163826
-
-
1.2036616
-
1?,25-dihydroxy-16,17-didehydrovitamin D3 / 1?,25-...
-
ME164422
-
-
1.1204358
-
12-tridecynoic acid
12-Tridecynoic acid
ME164444
-
-
1.1482933
-
13,14-dihydro-15-keto Prostaglandin J2
-
ME163737
-
-
1.1432635
-
13(S)-HpODE
13S-HpODE
ME163754
-
C04717
1.134
-
(±)14-HDoHE
14-HDoHE
ME163679
-
-
1.1001076
-
14-keto pentadecanoic acid
14-Oxopentadecanoic acid
ME163721
-
-
1.1255863
-
15-keto-PGE2
15-Keto-PGE2
ME163805
-
C04707
1.1754178
-
1,5-Naphthalene diisocyanate
-
ME163541
-
C19464
0.8817621
-
16-hydroxy hexadecanoic acid
Juniperic acid
ME164434
-
C18218
1.1409479
-
16-Oxo-palmitate
-
ME164435
-
C19614
1.1453323
-
16(S)-HETE
-
ME163711
-
-
1.1127337
-
?17-6-keto PGF1?
-
ME163812
-
-
1.1784481
-
17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one
17beta-Hydroxy-4,4,17-trimethylandrost-5-en-3-one
ME163619
-
C15413
1.0677586
-
17-Methyl-5alpha-androstane-11beta,17beta-diol
17-Methyl-5alpha-androstane-11beta,17beta-diol
ME163621
-
C15399
1.068426
-
18-acetoxy-1?,25-dihydroxyvitamin D3 / 18-acetoxy-...
-
ME163843
-
-
1.2386568
-
18-hydroxy-9S,10R-epoxy-stearic acid
18-Hydroxy-9S,10R-epoxy-stearic acid
ME163779
-
-
1.1551886
-
1'-Acetoxyeugenol acetate
1'-Acetoxyeugenol acetate
ME164282
-
C10427
6.207774
-
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-ox...
-
ME164521
-
-
1.157571
-
1-Naphthalenesulfonic acid
Naphthalene-1-sulfonic acid
ME164558
-
C16201
1.063885
-
1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphth...
-
ME164464
-
C14804
1.7098279
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanehexanoic acid
-
ME163676
-
-
1.1036218
-
20-carboxy-LTB4
20-Carboxy-LTB4
ME163698
-
C05950
1.106462
-
2,22,25-trideoxyecdysone
2,22,25-Trideoxyecdysone
ME163680
-
C16493
1.100697
-
2,2-Dimethylglutaric acid
2,2-Dimethylglutaric acid
ME164452
-
-
1.3846548
-
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME163515
-
C00196
0.832319
-
2,3-dinor Thromboxane B1
2,3-Dinor-TXB1
ME164448
-
-
1.1924704
-
2,4,6-octatrienal
2,4,6-Octatrienal
ME163549
-
-
0.8851814
-
2,4,6-octatrienal - 1.1827954
2,4,6-Octatrienal
ME163816
-
-
1.1827954
-
2,4-dimethyl-tetradecanoic acid
2,4-Dimethyl-tetradecanoic acid
ME164023
-
-
2.1204457
-
26,27-diethyl-1?,25-dihydroxy-23-oxavitamin D3 / 2...
-
ME163673
-
-
1.0977546
-
2-(7'-Methylthio)heptylmalic acid
-
ME164529
-
C17230
1.5166653
-
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME163692
-
-
1.1077397
-
2-Amino-3-hydroxy-5-nitrobenzophenone
-
ME164069
-
-
2.6576576
-
2-Benzothiazolesulfonamide
-
ME163557
-
C14181
0.913999
-
2'-Deoxyuridine
Deoxyuridine
ME163935
-
C00526
1.6549358
-
2E-Eicosenoic acid
-
ME163616
-
-
1.0661881
-
2-Ethylhexyl-4-hydroxybenzoate
Hexyl benzoate
ME163628
-
C14716
1.0684062
-
2-Hydroxycaproic acid
2-Hydroxyhexanoic acid
ME164009
-
-
2.1207018
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME164022
-
C05123
2.1209927
-
2-Hydroxyfelbamate
2-Hydroxyfelbamate
ME163506
-
C16582
0.8285713
-
2-Hydroxymyristic Acid
2-Hydroxymyristic acid
ME163802
-
-
1.1699609
-
2-Methoxyestrone 3-sulfate
2-Methoxyestrone 3-sulfate
ME164046
-
C08358
2.1595879
-
2-methyl-3-hydroxybutyric acid
2-Methyl-3-hydroxybutyric acid
ME163898
-
-
1.5347873
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME163977
-
-
1.9425317
-
2-Methylbutyrylglycine - 3.444688
2-Methylbutyrylglycine
ME164102
-
-
3.444688
-
2-Naphthaleneacetic acid, 6-(sulfooxy)-
-
ME164000
-
-
2.1168876
-
2-Naphthylamine
2-Aminonaphthalene
ME164220
-
C02227
5.844705
-
2-Oxo-7-methylthioheptanoic acid
2-Oxo-7-methylthioheptanoic acid
ME164037
-
C17220
2.1542516
-
2-Oxo-7-methylthioheptanoic acid - 2.1569676
2-Oxo-7-methylthioheptanoic acid
ME164476
-
C17220
2.1569676
-
2-oxo capric acid
2-Oxo capric acid
ME163829
-
C13945
1.2034925
-
2(R)-HPOT
2R-HpOTrE
ME163686
-
C16341
1.1040595
-
2S-hydroxy-octadecanoic acid
-
ME163699
-
C03045
1.1116574
-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid
-
ME164457
-
-
1.4701248
-
3?,11?-Dihydroxy-12-oxo-5?-cholan-24-oic Acid - 1....
-
ME164525
-
-
1.2354674
-
3-(2,3-Dihydroxyphenyl)propanoate
-
ME164061
-
C04044
2.5484023
-
3,4,2',4',6',beta-Hexahydroxychalcone 2'-glucoside
-
ME163795
-
-
1.1641788
-
3,4-Dihydroxybenzylamine
3,4-Dihydroxybenzylamine
ME163859
-
-
1.3006434
-
3',4'-dihydroxyflurbiprofen
-
ME164055
-
-
2.2118914
-
3,4-Dihydroxyphenylglycol O-sulfate
3,4-Dihydroxyphenylglycol O-sulfate
ME163485
-
-
0.7961429
-
3,4-Dihydroxypyridine
-
ME163945
-
C02932
1.7126181
-
3,4-Dihydroxystyrene
3,4-Dihydroxystyrene
ME163478
-
C06224
0.78497297
-
3,5-Dihydroxy-1,4-naphthoquinone
-
ME163985
-
C04110
2.1146555
-
3?,5?-Dihydroxycholan-24-oic Acid
-
ME163782
-
-
1.0939356
-
3?,7?,12?-Trihydroxy-24-methyl-5?-cholest-23-en-26...
-
ME164563
-
-
1.1173339
-
3?,7?-Dihydroxy-5?-cholestanate - 1.2261018
3alpha,7alpha-Dihydroxy-5beta-cholestanoic acid
ME163844
-
C04554
1.2261018
-
3alpha,12alpha,25-trihydroxy-5beta-cholestan-7-one
3alpha,12alpha,25-Trihydroxy-5beta-cholestan-7-one
ME163682
-
-
1.1040123
-
3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oi...
-
ME163893
-
-
1.4828986
-
3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oi...
-
ME163941
-
-
1.6919683
-
3-Amino-4,7-dihydroxy-8-methylcoumarin
3-Amino-4,7-dihydroxy-8-methylcoumarin
ME164010
-
C12466
2.1206062
-
3-(a-Naphthoxy)lactic acid
-
ME164008
-
-
2.1195114
-
3-butyrl propionic acid
3-Butyrl propionic acid
ME163813
-
-
1.1772108
-
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate
ME163775
-
C04604
1.1547
-
3-Imidazole-2-oxopropanoate
3-Imidazol-1-yl-2-oxopropanoic acid
ME164058
-
C03762
2.2933838
-
3-Indoleacetic Acid
Indoleacetic acid
ME164523
-
C00954
1.181309
-
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate
ME163496
-
-
0.83569986
-
3-Methoxy-androsta-3,5-diene-7,17-dione
3-Methoxy-androsta-3,5-diene-7,17-dione
ME164429
-
C14930
1.1249509
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME164480
-
C00671
2.4238033
-
3-Methyldioxyindole
3-Methyldioxyindole
ME163931
-
C05834
1.634772
-
3-Methyloxindole
3-Methyloxindole
ME163901
-
C02366
1.5397656
-
3-Oxoalanine
3-Oxoalanine
ME164287
-
-
6.219868
-
3-oxo-dodecanoic acid
3-Oxododecanoic acid
ME164445
-
C02367
1.1906193
-
3-Oxohexanoyl-coenzyme A
3-Oxohexanoyl-CoA
ME164575
-
-
1.0154475
-
3-oxo-tetradecanoic acid
3-Oxotetradecanoic acid
ME163809
-
-
1.1754184
-
(3R)-3-isopropenyl-6-oxoheptanoic acid
-
ME163696
-
C11405
1.1186116
-
3-Sulfino-L-alanine
3-Sulfino-alanine
ME164077
-
C00606
2.8190246
-
3-Sulfocatechol
3-Sulfocatechol
ME163451
-
C06336
0.731612
-
4,14-Dimethyl-hexadecanoic acid
4,14-Dimethyl-hexadecanoic acid
ME164020
-
-
2.120367
-
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
4-(2-Aminophenyl)-2,4-dioxobutanoic acid
ME163930
-
C01252
1.6341451
-
4,4'-Thiodianiline
-
ME164259
-
C19303
6.1085773
-
4,4'-Thiodianiline - 6.182754
-
ME164262
-
C19303
6.182754
-
4,6-Dihydroxyquinoline
4,6-Dihydroxyquinoline
ME164590
-
C05639
0.8331557
-
4,7,10,13-Hexadecatetraenoic acid
4,7,10,13-Hexadecatetraenoic acid
ME164418
-
-
1.0858262
-
4E-Decenedioic acid
4E-Decenedioic acid
ME164443
-
-
1.1636633
-
4-hydroxy-2-oxo-Heptanedioic acid
4-Hydroxy-2-oxo-heptanedioic acid
ME163842
-
C05601
1.2411244
-
4-Hydroxy-6-methylpyran-2-one
-
ME163606
-
C02752
1.0439814
-
4-hydroxybutanoic acid
4-Hydroxybutyric acid
ME163910
-
C00989
1.5669972
-
4-hydroxy capric acid
4-Hydroxycapric acid
ME164526
-
-
1.2467096
-
4-Hydroxyphenylpyruvic acid
4-Hydroxyphenylpyruvic acid
ME163477
-
C01179
0.78605634
-
4-Octenedioic acid
-
ME164528
-
-
1.3646888
-
4-oxo-9Z,11E,13E-octadecatrienoic acid
alpha-Licanic acid
ME163671
-
C08319
1.0974531
-
4-Quinolinecarboxylic acid
4-Quinolinecarboxylic acid
ME163830
-
C06414
1.221552
-
4-Sulfobenzyl alcohol
-
ME163474
-
C06678
0.778158
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME163958
-
-
1.8466145
-
5,6-Dihydroxy-3-methyl-2-oxo-1,2,5,6-tetrahydroqui...
-
ME164099
-
C06726
3.3263607
-
5,7,4'-Trihydroxyflavanone 7-sulfate
5,7,4'-Trihydroxyflavanone 7-sulfate
ME163453
-
-
0.7316172
-
5,7-nonadienal
5,7-Nonadienal
ME164562
-
-
1.1240278
-
5-Acetylamino-6-formylamino-3-methyluracil
5-Acetylamino-6-formylamino-3-methyluracil
ME164084
-
C16365
2.9027047
-
5alpha-Androstan-17beta-ol propionate
-
ME163615
-
C15373
1.0651481
-
5-Amino-1-ribofuranosylimidazole-4-carboxyamide
5-Amino-1-Ribofuranosylimidazole-4-carboxyamide
ME164019
-
C04663
2.1273518
-
5?-Chola-7,9(11)-dien-24-oic Acid
-
ME163614
-
-
1.0651765
-
5-Cholestene-3?,7?,12?,24-tetrol
-
ME163662
-
-
1.103758
-
5-Hydroxyindoleacetic acid
5-Hydroxyindoleacetic acid
ME163902
-
C05635
1.5397311
-
5-Hydroxyisourate
5-Hydroxyisouric acid
ME163892
-
C11821
1.4616607
-
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME164539
-
C05660
3.2937427
-
5-Methyldeoxycytidine
5-Methyldeoxycytidine
ME164029
-
C03592
2.1256495
-
5-O-Methylembelin
5-O-Methylembelin
ME163705
-
C10373
1.1114756
-
5-Oxoavermectin ''2a'' aglycone
Homoserine lactone
ME164196
-
C11970
5.767298
-
5-Oxo-ETE
5-Oxo-ETE
ME163661
-
C14732
1.0955794
-
5-Sulfosalicylic acid
5-Sulfosalicylic acid
ME163537
-
C16199
0.86550575
-
5-Sulfosalicylic acid - 0.97004646
5-Sulfosalicylic acid
ME163585
-
C16199
0.97004646
-
5-Sulfosalicylic acid - 1.5343589
5-Sulfosalicylic acid
ME163899
-
C16199
1.5343589
-
5-tert-Butyl-4-hydroxymethylfuran-2-carboxylic aci...
-
ME163864
-
-
1.3189714
-
6alpha-Methylprogesterone
-
ME163626
-
C14586
1.0695748
-
6-keto-n-caprylic acid
6-Ketooctanoic acid
ME163806
-
-
1.1644487
-
6-Nitrochrysene
-
ME163994
-
C19271
2.1179392
-
6-O-Methyleuparin
-
ME163874
-
C08762
1.4540424
-
(6S)-dehydrovomifoliol
(6S)-Dehydrovomifoliol
ME163719
-
C02533
1.1223623
-
7?,12?-Dihydroxy-5?-cholan-24-oic Acid
-
ME163849
-
-
1.2110813
-
7,4'-Dihydroxyflavone
7,4'-Dihydroxyflavone
ME163759
-
C12123
1.1360292
-
7-Decynoic acid, 5-oxo-
5-Oxo-7-Decynoic acid
ME164520
-
-
1.1460311
-
7-Hydroxydoxazosin
-
ME164400
-
-
7.305836
-
7-keto-stearic acid
7-Keto-stearic acid
ME164569
-
-
2.1188977
-
8-Epiiridotrial glucoside
8-Epiiridotrial glucoside
ME163886
-
C11652
1.4519207
-
8-Epiiridotrial glucoside - 1.5395757
8-Epiiridotrial glucoside
ME163900
-
C11652
1.5395757
-
8-HETE
8-HETE
ME163683
-
C14776
1.09902
-
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
8-Hydroxy-3,5,7,3',4',5'-hexamethoxyflavone
ME164130
-
-
4.2811756
-
8(S)-HETrE
8S-HETrE
ME164437
-
-
1.1098403
-
(±)9,10-DiHOME
9,10-DiHOME
ME163651
-
C14828
1.085375
-
9,10-dihydroxy stearic acid
9,10-Dihydroxystearic acid
ME163799
-
C19622
1.1673945
-
9-dodecynoic acid
9-Dodecynoic acid
ME163539
-
-
0.87675464
-
9-hydroperoxy-12,13-epoxy-10-octadecenoic acid
9-Hydroperoxy-12,13-epoxy-10-octadecenoic acid
ME163814
-
-
1.1466906
-
9-hydroperoxy-12,13-epoxy-10-octadecenoic acid - 1...
9-Hydroperoxy-12,13-epoxy-10-octadecenoic acid
ME163847
-
-
1.2004614
-
9-oxo-nonanoic acid
9-Oxo-nonanoic acid
ME163785
-
C16322
1.1583015
-
9S,10S,11R-trihydroxy-12Z-octadecenoic acid
9S,10S,11R-Trihydroxy-12Z-octadecenoic acid
ME163848
-
-
1.2519901
-
9S,12S,13S-trihydroxy-10E-octadecenoic acid - 1.33...
9,12,13-TriHOME
ME163862
-
C14833
1.3309315
-
(9S,13S)-1a,1b-dihomo-jasmonic acid
-
ME164576
-
-
1.0870699
-
9S-hydroxy-12R,13S-epoxy-10E,15Z-octadecadienoic a...
9H-12(13)-EpODE
ME163768
-
-
1.1565818
-
9Z,11E,13-Tetradecatrienal
9Z,11E,13-Tetradecatrienal
ME163758
-
-
1.1314459
-
Abu-His-OH
-
ME163928
-
-
1.6212337
-
Acetoacetic acid
Acetoacetic acid
ME164080
-
C00164
2.8895628
-
Adipic acid
Adipic acid
ME163895
-
C06104
1.4991586
-
AG-18
-
ME164070
-
-
2.7107995
-
alhpa-tocopheronolactone
Alhpa-tocopheronolactone
ME163738
-
-
1.1186355
-
Allantoin
Allantoin
ME163971
-
C01551
1.8811419
-
Alloxydim
-
ME163774
-
C18772
1.1541116
-
all-trans-heptaprenyl diphosphate
All-trans-heptaprenyl diphosphate
ME163652
-
C04216
1.0842626
-
Allysine
Allysine
ME164124
-
C01475
4.075222
-
Aminopterin
4-Aminofolic acid
ME163647
-
D02527
1.081098
-
Angiotensin III
Angiotensin III
ME163604
-
C15848
1.0369911
-
Angustibalin
Angustibalin
ME164030
-
C09293
2.1351895
-
Anhalamine
Anhalamine
ME163612
-
C12231
1.064203
-
Anhydroglycinol
Anhydroglycinol
ME163458
-
C10200
0.7416897
-
Anhydrorhodovibrin
Anhydrorhodovibrin
ME164417
-
C15877
1.0995163
-
Antirrhinoside
Antirrhinoside
ME164050
-
C09768
2.1605783
-
Arachidonic Acid (peroxide free)
Arachidonic acid
ME163629
-
C00219
1.0694298
-
Argiotoxin 659
Argiotoxin 659
ME164294
-
C13929
6.4762487
-
Arg Pro Thr
Arg-Pro-Thr
ME164106
-
-
3.5339143
-
Artabsin
Artabsin
ME164519
-
C09301
1.114883
-
Ascorbate 2-sulfate
-
ME163456
-
C02812
0.7367556
-
Asiatic acid
Asiatic acid
ME163845
-
C08617
1.2378591
-
Aspidin
Aspidin
ME163740
-
C10672
1.1261556
-
Aspulvinone H
Aspulvinone H
ME163796
-
C02008
1.164044
-
Auricularine
Auricularine
ME163512
-
C09043
0.8304261
-
Barbiturate
Barbituric acid
ME163747
-
C00813
1.125763
-
Bendiocarb
Bendiocarb
ME164488
-
C14433
4.004199
-
Benfuresate
-
ME164256
-
C18452
5.9805064
-
Benzoic acid
Benzoic acid
ME163736
-
C00180
1.1223295
-
beta-hydroxylauric acid
-
ME163820
-
-
1.1912678
-
Borreverine
Borreverine
ME163510
-
C09082
0.8314288
-
Botrydial
Botrydial
ME163765
-
C09622
1.1455373
-
Botrydial - 2.1188974
Botrydial
ME164012
-
C09622
2.1188974
-
Brucine
Brucine
ME163729
-
C09084
1.116074
-
Bumetanide M1
-
ME163645
-
-
1.0919282
-
Butein 4'-arabinosyl-(1-4)-galactoside
-
ME163590
-
-
0.9921207
-
Callicarpone
Callicarpone
ME163714
-
C09067
1.1490357
-
Capryloylglycine
Capryloylglycine
ME163888
-
-
1.4562584
-
Capryloylglycine - 2.4119985
Capryloylglycine
ME164535
-
-
2.4119985
-
Carboxyprimaquine
Carboxyprimaquine
ME163841
-
-
1.3665445
-
Carboxyprimaquine - 2.2894254
Carboxyprimaquine
ME164478
-
-
2.2894254
-
Carnosol
Carnosol
ME163791
-
C09069
1.1677306
-
Caryoptin
Caryoptin
ME164483
-
C09070
2.8308132
-
Cefaclor
Cefaclor
ME163472
-
C06877
0.7712111
-
Chaulmoogric acid
Chaulmoogric acid
ME163636
-
C08282
1.0733137
-
Chaulmoogric acid - 6.7127714
Chaulmoogric acid
ME164320
-
C08282
6.7127714
-
Chaulmoogric acid - 6.811256
Chaulmoogric acid
ME164368
-
C08282
6.811256
-
cholesterol sulfate
Cholesterol sulfate
ME163513
-
C18043
0.831861
-
Chymostatin
Chymostatin
ME164381
-
C11308
6.8710823
-
Clobetasol propionate
Clobetasol propionate
ME163743
-
-
1.1260794
-
Coenzyme Q4
Coenzyme Q4
ME164591
-
-
1.1689627
-
Compactin diol lactone
ML 236A
ME163792
-
C14183
1.1720889
-
Convicine
Convicine
ME164461
-
C08430
1.5876749
-
Cornudentanone
Cornudentanone
ME163837
-
C10320
1.2156321
-
Creatinine
Creatinine
ME164133
-
C00791
4.383683
-
Cucurbitacin S
Cucurbitacin S
ME163526
-
C08806
0.84243673
-
Cymarin
Cymarin
ME163657
-
C08859
1.0941874
-
Cytidine
Cytidine
ME164128
-
C00475
4.232026
-
Cytidine - 9.126549
Cytidine
ME164407
-
C00475
9.126549
-
D-(+)-3-Phenyllactic acid
L-3-Phenyllactic acid
ME163545
-
C05607
0.8846165
-
Daimuron
-
ME164567
-
C18427
1.5967797
-
D-Alanine
D-Alanine
ME164401
-
C00133
7.307549
-
DCI
-
ME163980
-
C11772
2.1149712
-
Debromohymenialdisine
-
ME163988
-
C19897
2.1098592
-
Decoside
Decoside
ME164581
-
C08860
1.0874441
-
Decursinol
Decursinol
ME163983
-
C09259
2.107255
-
Demethyltexasin
Demethyltexasin
ME163685
-
C14314
1.1064692
-
deschlorobenzoyl Indomethacin
-
ME164139
-
-
4.615958
-
desmethylnortriptyline glucuronide
-
ME164509
-
-
0.9662047
-
DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)
DG 15:0/18:4(6Z,9Z,12Z,15Z)/0:0*
ME163668
-
-
1.0917486
-
DG(15:0/22:4(7Z,10Z,13Z,16Z)/0:0)
DG 15:0/22:4(7Z,10Z,13Z,16Z)/0:0*
ME163755
-
-
1.1307318
-
DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)
DG 15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0*
ME163772
-
-
1.1532649
-
DG(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0)
DG 20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z)/0:0*
ME164426
-
-
1.1219213
-
DG(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)
DG 22:1(13Z)/20:5(5Z,8Z,11Z,14Z,17Z)/0:0*
ME163723
-
-
1.1158994
-
DG(22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0)
DG 22:4(7Z,10Z,13Z,16Z)/22:2(13Z,16Z)/0:0*
ME163697
-
-
1.1074431
-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0)
DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:2(13Z,16Z)/0:0*
ME163712
-
-
1.111895
-
DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0)
DG 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:0/0:0*
ME164424
-
-
1.102297
-
D-Glucose 6-sulfate
D-Glucose 6-sulfate
ME163716
-
C02827
1.1156061
-
D-Glutamine
D-Glutamine
ME164398
-
C00819
7.177983
-
Diethyl adipate
-
ME163873
-
C14566
1.4122254
-
Diethyl adipate - 1.2166648
-
ME164447
-
C14566
1.2166648
-
Dihydroclavaminic acid
Dihydroclavaminic acid
ME164549
-
C06659
6.4773746
-
Dihydrojasmonic Acid, Methyl Ester
-
ME163713
-
-
1.1157472
-
Dihydrojasmonic Acid, Methyl Ester - 1.2360836
-
ME163850
-
-
1.2360836
-
dihydrophaseic acid
Dihydrophaseic acid
ME164470
-
C15971
1.9342897
-
Dimethyl adipate
Dimethyl adipate
ME163860
-
C14570
1.317512
-
Di-n-decyl phthalate
-
ME163678
-
C14505
1.0997345
-
Dinoseb
2-(1-Methylpropyl)-4,6-dinitrophenol
ME163582
-
C14302
0.9667774
-
DL-2-Aminoadipic acid
alpha-Aminoadipic acid
ME164542
-
-
5.8714004
-
DL-3-hydroxy caproic acid
3-Hydroxycaproic acid
ME164491
-
-
5.4513288
-
DL-9-hydroxy stearic acid
9-Hydroxy stearic acid
ME163787
-
-
1.1617153
-
DL-a-Hydroxybutyric acid
2R-Hydroxybutyric acid
ME163876
-
C05984
1.4291327
-
D-Leucic acid
D-Leucic acid
ME163868
-
C03264
1.3888779
-
DL-Serine
Serine
ME164362
-
C00716
6.8079095
-
DL-Tyrosine
Tyrosine
ME164273
-
C01536
6.186845
-
DL-Tyrosine - 6.185105
Tyrosine
ME164498
-
C01536
6.185105
-
Docosanedioic acid
Docosanedioic acid
ME164425
-
C19625
1.1126282
-
docusate
2-Methylacetophenone
ME164534
-
C07874
2.1182919
-
Dodecanedioic acid
Dodecanedioic acid
ME163807
-
C02678
1.1756431
-
doxylamine
Doxylamine
ME163580
-
-
0.9955655
-
D-Phenylalanine
D-Phenylalanine
ME164249
-
C02265
5.967726
-
D-Proline
D-Proline
ME164308
-
C00763
6.662177
-
Drazoxolon
-
ME163881
-
C18929
1.4296914
-
D-Sorbitol
Sorbitol
ME164100
-
C00794
3.36174
-
D-Tryptophan
D-Tryptophan
ME164413
-
C00525
1.0612248
-
Dulcitol
Galactitol
ME164202
-
C01697
5.8264937
-
edetate
Edetic acid
ME163959
-
C00284
1.8477808
-
Embelin
Embelin
ME163770
-
C10342
1.1502733
-
Embelin - 2.1210034
Embelin
ME164013
-
C10342
2.1210034
-
epi-4'-hydroxyjasmonic acid
Epi-4'-hydroxyjasmonic acid
ME163766
-
-
1.1631896
-
Epibatidine
Epibatidine
ME164042
-
C11690
2.155493
-
Epicatechin 5-O-beta-D-glucopyranoside-3-benzoate
Epicatechin 5-O-beta-D-glucoside-3-benzoate
ME164074
-
-
2.8302107
-
Erythromycin C
Erythromycin C
ME164552
-
C06616
7.041082
-
Ethyl 3-(N-butylacetamido)propionate
-
ME163872
-
C18830
1.4071358
-
Ethyl (R)-3-hydroxyhexanoate
Ethyl (R)-3-hydroxyhexanoate
ME163858
-
C03864
1.3056948
-
Etioporphyrin III
-
ME163514
-
-
0.8326201
-
Evodiamine
Evodiamine
ME164031
-
C09187
2.1352677
-
Falaconitine
-
ME164551
-
C08683
6.976751
-
Fampridine
4-Aminopyridine
ME163956
-
C13728
1.761673
-
Fampridine - 2.7416701
4-Aminopyridine
ME164071
-
C13728
2.7416701
-
Faropenem
Faropenem
ME164081
-
C13310
2.9003725
-
Fenothiocarb
Fenothiocarb
ME164489
-
C11084
4.235811
-
Ferimzone
Ferimzone
ME163800
-
C18579
1.1578294
-
Fexofenadine
Fexofenadine
ME164174
-
C06999
5.5387588
-
Fexofenadine - 5.6491313
Fexofenadine
ME164185
-
C06999
5.6491313
-
Forchlorfenuron
-
ME164277
-
C18604
6.196276
-
Formimidoyl-fortimicin A
-
ME163748
-
C17979
1.1272665
-
Furfural diethyl acetal
-
ME163932
-
C14280
1.6419237
-
Furmecyclox
Furmecyclox
ME163609
-
C18912
1.055813
-
Fusarin C
-
ME164416
-
C19243
1.078372
-
Gal?1-3[Neu5Ac?2,6]GalNAc?-Thr
-
ME164502
-
-
6.6139793
-
Ganglioside GA2 (d18:1/16:0)
-
ME164338
-
C06135
6.746597
-
Ganglioside GA2 (d18:1/9Z-18:1)
-
ME164348
-
C06135
6.7670865
-
Ginkgolic Acid
Ginkgolic acid
ME163672
-
C10794
1.0937707
-
Glu Ser
Glu-Ser
ME164094
-
-
3.1554823
-
Glutaric acid
Glutaric acid
ME163939
-
C00489
1.674779
-
Goniothalenol - 2.1228929
Altholactone
ME164053
-
C09930
2.1228929
-
Guanosine
Guanosine
ME164125
-
C00387
4.06969
-
GW 409544
-
ME164583
-
C15623
1.4643068
-
Gymnodimine
Gymnodimine
ME164313
-
C20025
6.674411
-
Gymnodimine - 6.775499
Gymnodimine
ME164350
-
C20025
6.775499
-
Halfordinol
Halfordinol
ME163501
-
C10596
0.80608374
-
Hellebrigenin 3-acetate
Hellebrigenin 3-acetate
ME163702
-
C08867
1.108578
-
Hexadecanedioic acid
Hexadecanedioic acid
ME163764
-
C08260
1.1530219
-
Hippuric acid
Hippuric acid
ME164538
-
C01586
3.1511285
-
His His Glu
His-His-Glu
ME164092
-
-
3.0020556
-
His-Phe-OH
-
ME164571
-
-
2.1580293
-
Homocysteinesulfinic acid
Homocysteinesulfinic acid
ME164104
-
-
3.4792216
-
Homoserine lactone
Homoserine lactone
ME164198
-
C02926
5.819209
-
Homoveratric acid
Homoveratric acid
ME163818
-
-
1.1758742
-
HR1917
-
ME163689
-
C15343
1.1037077
-
Hydroquinone
Hydroquinone
ME163450
-
C00530
0.7317022
-
Hydroquinone - 0.8294034
Hydroquinone
ME163509
-
C00530
0.8294034
-
?-Hydroxyisovaleric acid
Hydroxyisovaleric acid
ME164570
-
-
2.1252458
-
?-Hydroxypyruvic acid
Hydroxypyruvic acid
ME164145
-
C00168
4.64277
-
Hymenoflorin
Hymenoflorin
ME163734
-
C09480
1.1162913
-
Hymenoxon
Hymenoxon
ME163828
-
C09482
1.1937623
-
IAA-94
-
ME164052
-
C13703
2.1703522
-
Icaritin 3-rhamnoside
Icaritin 3-rhamnoside
ME164456
-
-
1.4621562
-
Ile Arg Ile
Ile-Arg-Ile
ME163720
-
-
1.1145331
-
Indole
Indole
ME164126
-
C00463
4.094502
-
Indole-3-carboxaldehyde
1H-Indole-3-carboxaldehyde
ME163762
-
C08493
1.14343
-
Indole - 5.8447213
Indole
ME164228
-
C00463
5.8447213
-
Ingenol 3,20-dibenzoate
Ingenol 3,20-dibenzoate
ME163950
-
C09113
1.713355
-
Isodomedin - 1.2324258
Isodomedin
ME163833
-
C09115
1.2324258
-
Isovaleric acid
Isovaleric acid
ME163897
-
C08262
1.498921
-
Isovalerylsarcosine
Isovalerylsarcosine
ME164098
-
-
3.2197332
-
Istamycin A3
-
ME163780
-
C17989
1.1572971
-
Jasmonic acid
Jasmonic acid
ME163819
-
C08491
1.188357
-
Jasmonic acid - 1.1212678
Jasmonic acid
ME164514
-
C08491
1.1212678
-
Kanamycin
Kanamycin
ME163962
-
C01822
1.8806869
-
KAPA
Acetoacetic acid
ME163903
-
C01092
1.5392792
-
KAPA - 2.9342902
Acetoacetic acid
ME164485
-
C01092
2.9342902
-
Kikkanol D
-
ME164442
-
C17606
1.163185
-
Lactaldehyde
Lactaldehyde
ME163879
-
C05999
1.4284569
-
Lactaldehyde - 2.1190975
Lactaldehyde
ME164018
-
C05999
2.1190975
-
Lactic acid
Lactic acid
ME164064
-
C01432
2.5364687
-
L-Ascorbic acid
Vitamin C
ME163455
-
C00072
0.7367018
-
Lauryl hydrogen sulfate
Dopamine
ME163511
-
C11166
0.83064514
-
Lauryl hydrogen sulfate - 2.119083
Dopamine
ME163995
-
C11166
2.119083
-
Lesquerolic acid
Lesquerolic acid
ME164512
-
-
1.1050663
-
L-Glutamic acid n-butyl ester
-
ME164103
-
-
3.4723406
-
L-Homotyrosine
Homotyrosine
ME163622
-
C18622
1.0673876
-
?-Linolenic Acid
Octadecatrienoic acid
ME163639
-
C06427
1.0758681
-
L-Isoleucine
Isoleucine
ME164272
-
C00407
6.1858974
-
L-Leucine
Leucine
ME164261
-
C00123
6.1090474
-
L-Methionine
Methionine
ME164280
-
C00073
6.1970496
-
lokundjoside
Lokundjoside
ME164559
-
C08874
1.0820272
-
Losartan
Losartan
ME164439
-
C07072
1.1650151
-
Luciduline
Luciduline
ME163955
-
C09872
1.7359345
-
LysoPE(0:0/18:0)
LPE 0:0/18:0
ME164186
-
-
5.663514
-
LysoPE(0:0/18:0) - 6.735483
LPE 0:0/18:0
ME164331
-
-
6.735483
-
LysoPE(0:0/18:0) - 6.834247
LPE 0:0/18:0
ME164372
-
-
6.834247
-
LysoPE(0:0/18:1(11Z))
LPE 0:0/18:1(11Z)
ME164188
-
-
5.6772294
-
LysoPE(0:0/18:2(9Z,12Z))
LPE 0:0/18:2(9Z,12Z)*
ME164190
-
-
5.705796
-
LysoPE(0:0/20:0)
LPE 0:0/20:0
ME164346
-
-
6.760607
-
LysoPE(0:0/20:2(11Z,14Z))
LPE 0:0/20:2(11Z,14Z)*
ME164325
-
-
6.7130117
-
m-Cresol
m-Cresol
ME163857
-
C01467
1.2975398
-
meso-Tartaric acid
Meso-tartaric acid
ME163600
-
C00552
1.0218455
-
Methanesulfonic acid
Methanesulfonic acid
ME164028
-
C11145
2.1216273
-
Methitural
Methitural
ME163921
-
C07558
1.5883406
-
methyl (2E,6E,10R,11S)-10,11-epoxy-3,7,11-trimethy...
-
ME163730
-
C04867
1.1182053
-
Methylglyoxal
Pyruvaldehyde
ME163927
-
C00546
1.596375
-
Methyl jasmonate
Methyl jasmonate
ME163695
-
C11512
1.1242819
-
Methyl N-(a-methylbutyryl)glycine
Azelaic acid
ME163855
-
C08261
1.2627705
-
Metsulfovax
-
ME164363
-
C18934
6.8064804
-
MG(24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0)
MG 24:6(6Z,9Z,12Z,15Z,18Z,21Z)/0:0/0:0*
ME163823
-
-
1.1997329
-
Mibolerone
Mibolerone
ME163635
-
C14255
1.0733768
-
MID42332:(22R)-1?,22,25-trihydroxy-26,27-dimethyl-...
-
ME163825
-
-
1.2011917
-
MID42391:26,27-diethyl-1?,25-dihydroxy-20,21-dideh...
-
ME164440
-
-
1.1735598
-
Minosaminomycin
-
ME164477
-
C17969
2.2099528
-
Monomethyl sulfate
Methyl sulfate
ME163579
-
C02704
0.95406026
-
N2-Acetyl-L-aminoadipate
N-Acetyl-2-aminoadipic acid
ME164472
-
C12986
2.1113331
-
N4-Phosphoagmatine
N(4)-Phosphoagmatine
ME163854
-
C02726
1.2385699
-
N-acetyl-2-carboxy Benzenesulfonamide
-
ME163482
-
-
0.7931195
-
N-Acetyl-DL-methionine
N-Acetylmethionine
ME164119
-
-
3.916011
-
N-Acetyl-D-tryptophan
N-Acetyl-D-tryptophan
ME164097
-
C03137
3.2113614
-
N-Acetylgalactosaminate
N-Acetylgalactosaminate
ME164274
-
C03408
6.187944
-
N-Acetyl-leu-leu-leu-tyr-amide
NAc-L3Y-amide
ME164358
-
C11296
6.7983794
-
N-Acetyl-L-phenylalanine
N-Acetylphenylalanine
ME164107
-
-
3.5382733
-
Nanchangmycin
-
ME164160
-
C12047
4.760864
-
Naringin
Naringin
ME163589
-
C09789
0.986263
-
Nemertelline
-
ME164496
-
C17016
5.9758925
-
N-Formylmethionine
N-Formylmethionine
ME164127
-
C03145
4.1363745
-
Nicotinamide N-oxide
Nicotinamide N-oxide
ME163957
-
-
1.76117
-
Nigakilactone B
-
ME163804
-
C17013
1.1701047
-
Nitrofurazone
Nitrofurazone
ME163867
-
C08042
1.3758582
-
N-linoleoyl taurine
N-Linoleoyl taurine
ME163871
-
-
1.3992633
-
N,N-Dihydroxy-L-tyrosine
N,N-Dihydroxy-tyrosine
ME164245
-
C15503
5.953198
-
Nocardicin D
-
ME164076
-
C17353
2.8144095
-
N-octanoyl-L-Homoserine lactone
-
ME164056
-
-
2.2647219
-
Norwogonin
Norwogonin
ME163447
-
C10113
0.73201704
-
NVP-BEZ235
-
ME164415
-
-
1.0749508
-
o-Coumaric acid
trans-o-Coumaric acid
ME163821
-
C01772
1.1895788
-
Oleandolide
Oleandolide
ME164114
-
C11990
3.764336
-
Olprinone
Olprinone hydrochloride
ME164066
-
C13546
2.589613
-
Orotic acid
Orotic acid
ME164111
-
C00295
3.6877422
-
Oxidized Watasenia luciferin
Oxidized Watasenia luciferin
ME163725
-
C03888
1.1172457
-
Oxolinic Acid
Oxolinicacid
ME164278
-
C11342
6.1931624
-
Oxolinic Acid - 6.190845
Oxolinicacid
ME164546
-
C11342
6.190845
-
PA(20:2(11Z,14Z)/0:0)
PA 20:2(11Z,14Z)/0:0*
ME163963
-
-
1.8813349
-
Palmitic acid
Palmitic acid
ME163638
-
C00249
1.0750768
-
Palmitic acid - 6.8347077
Palmitic acid
ME164375
-
C00249
6.8347077
-
Palmitoyl glucuronide
Palmitoyl glucuronide
ME163756
-
C03033
1.1297914
-
Pantoic acid
(R)-Pantoic acid
ME164467
-
C00522
1.8465428
-
Pantothenic Acid
Pantothenic acid
ME164059
-
C00864
2.5208025
-
p-Benzosemiquinone
-
ME163454
-
C02389
0.7324581
-
PD 169316
-
ME164511
-
-
1.082761
-
PE(16:0/0:0)
LPE 16:0/0:0
ME164193
-
-
5.7233253
-
PE(20:2(11Z,14Z)/18:2(9Z,12Z))
PE 20:2(11Z,14Z)/18:2(9Z,12Z)*
ME164163
-
C00350
4.801623
-
PE(20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z))
PE 20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)*
ME164162
-
C00350
4.777125
-
PE(20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z))
PE 20:3(5Z,8Z,11Z)/20:3(5Z,8Z,11Z)*
ME164490
-
C00350
5.420885
-
PE(20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z))
PE 20:3(8Z,11Z,14Z)/20:3(8Z,11Z,14Z)*
ME164161
-
C00350
4.771625
-
PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))
PE 20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)*
ME164156
-
C00350
4.7443237
-
PE(20:3(8Z,11Z,14Z)/P-18:0)
-
ME164593
-
C00350
4.841394
-
PE(22:4(7Z,10Z,13Z,16Z)/P-18:1(9Z))
-
ME164165
-
C00350
4.7987056
-
PE(22:5(7Z,10Z,13Z,16Z,19Z)/P-18:1(11Z))
-
ME164155
-
C00350
4.7289543
-
Penicilloic G acid
-
ME164275
-
C16672
6.1911063
-
PE(O-20:0/22:0)
PE O-20:0/22:0
ME164241
-
-
5.9208236
-
PE(P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE P-18:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME164585
-
-
4.838579
-
Perfluorooctanesulfonic acid
Perfluorooctanesulfonic acid
ME163440
-
C18142
0.71050334
-
Petroselinic acid
6-Octadecylenic acid
ME163630
-
C08363
1.0698535
-
PGE3 1,15-lactone
PGE3 1,15-lactone
ME164451
-
-
1.2388207
-
PGF2?
PGF2
ME163840
-
C00639
1.2394578
-
Phe Lys His
Phe-Lys-His
ME164421
-
-
1.0886667
-
Phenol
Phenol
ME163471
-
C00146
0.77064246
-
Phenylacetic acid
Phenylacetic acid
ME163750
-
C07086
1.1291705
-
Phenylacetic acid - 2.5097709
Phenylacetic acid
ME164060
-
C07086
2.5097709
-
Phenyl sulfate
Phenyl hydrogen sulfate
ME163469
-
C00850
0.77008986
-
PI(18:1(11Z)/16:1(9Z))
PI 18:1(11Z)/16:1(9Z)*
ME164158
-
C00626
4.7577825
-
PI(18:1(9Z)/18:1(9Z))
PI 18:1(9Z)/18:1(9Z)*
ME164153
-
C00626
4.7284927
-
PI(18:1(9Z)/18:2(9Z,12Z))
PI 18:1(9Z)/18:2(9Z,12Z)*
ME164152
-
-
4.7113395
-
PI(18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))
PI 18:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z)*
ME164142
-
-
4.631914
-
PI(20:3(5Z,8Z,11Z)/18:1(11Z))
PI 20:3(5Z,8Z,11Z)/18:1(11Z)*
ME164143
-
C00626
4.6371
-
PI(20:4(8Z,11Z,14Z,17Z)/16:0)
PI 20:4(8Z,11Z,14Z,17Z)/16:0*
ME164148
-
C00626
4.6654606
-
PI(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,...
PI 20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*
ME164556
-
-
1.0343332
-
PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
PI 22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0*
ME164140
-
C00626
4.6102796
-
Polhovolide
Polhovolide
ME163704
-
C09532
1.1095816
-
Portulal
3-Methoxy-androsta-3,5-diene-7,17-dione
ME164428
-
C09175
1.1219727
-
Propionic acid
Propionic acid
ME163967
-
C00163
1.8676617
-
Prostaglandin D1 Alcohol
-
ME164517
-
-
1.1545147
-
PS(12:0/22:0)
PS 12:0/22:0*
ME164458
-
-
1.520983
-
PS(18:0/20:2(11Z,14Z))
PS 18:0/20:2(11Z,14Z)*
ME164543
-
-
5.9332275
-
PS(18:1(9Z)/16:1(9Z))
PS 18:1(9Z)/16:1(9Z)*
ME164468
-
-
1.8543673
-
PS(19:0/0:0)
LPS 19:0/0:0
ME164380
-
-
6.8642173
-
PS(19:0/16:0)
PS 19:0/16:0*
ME164182
-
-
5.592865
-
PS(19:0/16:1(9Z))
PS 19:0/16:1(9Z)*
ME164171
-
-
5.4554877
-
PS(21:0/20:4(5Z,8Z,11Z,14Z))
PS 21:0/20:4(5Z,8Z,11Z,14Z)*
ME164170
-
-
5.4540076
-
Pyridafenthion
Pyridaphenthion
ME164233
-
C18762
5.844303
-
Pyroglutamic acid
Pyroglutamic acid
ME164285
-
C01879
6.2150803
-
Pyroglutamic acid - 6.2167535
Pyroglutamic acid
ME164499
-
C01879
6.2167535
-
Ramipril
Ramipril
ME164116
-
C07232
3.80262
-
Rhizocticin A
Rhizocticin A
ME164588
-
C17944
0.83456796
-
Ribonic acid
Ribonic acid
ME163599
-
C01685
1.0155679
-
Ricinoleic acid
Ricinoleic acid
ME163715
-
C08365
1.11644
-
Ripazepam
-
ME164441
-
C19518
1.1738787
-
Rishitin
Rishitin
ME163773
-
C09715
1.1470741
-
S-(2,4-Dinitrophenyl)glutathione
S-(2,4-Dinitrophenyl)glutathione
ME163538
-
C11175
0.8928392
-
Salannin
Salannin
ME164189
-
C08780
5.7137284
-
Sarcosine
Sarcosine
ME164487
-
C00213
3.5752156
-
S-(Carboxymethyl)-L-cysteine
S-Carboxymethyl-cysteine
ME164105
-
C03727
3.4960835
-
Scarlet Red
-
ME163641
-
C19520
1.0748825
-
Sedoheptulose
Glucoheptulose
ME164032
-
C02076
2.145603
-
Sinulobatin A
Sinulobatin A
ME163665
-
-
1.0921416
-
Spirodilactone
-
ME163982
-
C06986
2.1147382
-
Spironolactone
Spironolactone
ME164466
-
C07310
1.7677959
-
Stearic acid
Stearic acid
ME163623
-
C01530
1.0680251
-
Stearic acid - 6.7605224
Stearic acid
ME164343
-
C01530
6.7605224
-
Succinic acid
Succinic acid
ME163966
-
C00042
1.8672279
-
Succinic acid - 2.118289
Succinic acid
ME164011
-
C00042
2.118289
-
Succinic anhydride
Succinic anhydride
ME164197
-
C19524
5.814591
-
Succinic anhydride - 5.8640885
Succinic anhydride
ME164586
-
C19524
5.8640885
-
Sugetriol
-
ME163781
-
C17502
1.1680126
-
Sulfolithocholylglycine
Sulfoglycolithocholic acid
ME164085
-
C11301
2.9382262
-
Sulfolithocholylglycine - 2.9932208
Sulfoglycolithocholic acid
ME164090
-
C11301
2.9932208
-
Sulfolithocholylglycine - 4.0221667
Sulfoglycolithocholic acid
ME164121
-
C11301
4.0221667
-
Taurine
Taurine
ME164179
-
C00245
5.5811996
-
Taurochenodeoxycholic acid
Taurochenodeoxycholic acid
ME164108
-
C05465
3.5944006
-
Taurochenodeoxycholic acid - 3.6667702
Taurochenodeoxycholic acid
ME164113
-
C05465
3.6667702
-
Taurohyocholic acid
Taurohyocholic acid
ME164118
-
C15516
3.9026082
-
Taurohyocholic acid - 4.0034986
Taurohyocholic acid
ME164120
-
C15516
4.0034986
-
Taurohyocholic acid - 4.322024
Taurohyocholic acid
ME164132
-
C15516
4.322024
-
Taurohyocholic acid - 4.592833
Taurohyocholic acid
ME164137
-
C15516
4.592833
-
Taurohyocholic acid - 4.759052
Taurohyocholic acid
ME164157
-
C15516
4.759052
-
Tauropine
Tauropine
ME164088
-
C01616
2.9571037
-
Teniposide
Teniposide
ME163793
-
C11153
1.16396
-
Tetradecanedioic acid
Tetradecanedioic acid
ME163784
-
C11002
1.1574907
-
Tetradecanedioic acid - 1.2295798
Tetradecanedioic acid
ME163834
-
C11002
1.2295798
-
Tetradecyl sulfate
-
ME163502
-
D06882
0.8230049
-
Tetrahydroneopterin
-
ME164266
-
-
6.1839027
-
Thr-Asp-OH
-
ME164204
-
-
5.822926
-
Thr Gly Thr
Thr-Gly-Thr
ME164095
-
-
3.1588783
-
Thymidine
Thymidine
ME163923
-
C00214
1.5883137
-
Topotecan
Topotecan
ME163620
-
C11158
1.0662354
-
Totarol-19-Carboxylic Acid
-
ME163667
-
-
1.1123343
-
trans-9-palmitoleic acid
Palmitelaidic acid
ME163643
-
C08362
1.0773731
-
Tricetin 7,3'-diglucuronide
Tricetin 7,3'-diglucuronide
ME163601
-
-
1.0315224
-
Tropicamide
Tropicamide
ME164474
-
-
2.1231537
-
Trp Thr Tyr
Trp-Thr-Tyr
ME164475
-
-
2.1459084
-
Tryptophan
Tryptophan
ME164231
-
C00806
5.844762
-
Tuberonic acid glucoside
Tuberonic acid glucoside
ME164087
-
C08558
2.9704542
-
Uracil
Uracil
ME163889
-
C00106
1.456582
-
Uracil - 3.6865609
Uracil
ME164112
-
C00106
3.6865609
-
Uric acid
Uric acid
ME164115
-
C00366
3.790449
-
Uridine
Uridine
ME163948
-
C00299
1.7130746
-
Uridine - 2.2936547
Uridine
ME164057
-
C00299
2.2936547
-
Urocanic acid
Urocanic acid
ME164572
-
C00785
2.7396026
-
Valine
Valine
ME164290
-
C16436
6.334648
-
Valnemulin
Valnemulin
ME164582
-
C12066
1.0875113
-
Vernolic acid
12S,13R-EpOME
ME163707
-
C08368
1.1061225
-
Vidarabine
Vidarabine
ME164096
-
C07195
3.1623676
-
Xanthine
Xanthine
ME163979
-
C00385
2.0160277
-
Xanthosine
Xanthosine
ME164537
-
C01762
3.071348
-
Xanthoxic acid
Xanthoxic acid
ME163724
-
C13454
1.1174362
-
Xanthoxin
-
ME163757
-
C13453
1.1329747
-
Yellow AB
-
ME164594
-
C19552
0.74829733
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
(-)-11-hydroxy-9,10-dihydrojasmonic acid
11-Hydroxy-9,10-dihydrojasmonic acid
ME164672
-
-
4.6477866
-
1,2-Dioctanoyl-sn-glycerol
-
ME164724
-
-
13.463746
-
13,14-dihydro Prostaglandin F1?
-
ME164706
-
-
10.526692
-
1,4-Naphthoquinone
Naphthoquinone
ME164659
-
C02617
1.9779603
-
1,5-Anhydrosorbitol
1,5-Anhydrosorbitol
ME164625
-
C07326
1.0283113
-
18-hydroxy-9S,10R-epoxy-stearic acid
18-Hydroxy-9S,10R-epoxy-stearic acid
ME164699
-
-
10.447966
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME164630
-
-
1.0611482
-
1-Ethyl-1,3-dimethyl-cyclohexane skeleton
-
ME164683
-
-
7.1010733
-
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopy...
-
ME164693
-
C15027
10.106113
-
2,3-bis (4-Hydroxyphenyl) Propionitrile
2,3-bis(4-Hydroxyphenyl)propionitrile
ME164665
-
-
3.4485347
-
2(5H)-Furanone
4-Hydroxy-2-butenoic acid gamma-lactone
ME164647
-
C17601
1.326162
-
2-(6'-Methylthio)hexylmalic acid
-
ME164635
-
C17226
1.1439302
-
2-Amino-3-methyl-1-butanol
-
ME164612
-
-
0.93268967
-
2-Amino-3-methyl-1-butanol + 10.466517
-
ME164701
-
-
10.466517
-
2-Aminopropanol
2-Aminopropanol
ME164619
-
-
0.98570514
-
2-Methyleneglutarate
-
ME164646
-
C02930
1.3262916
-
3,6-dioxo-decanoic acid
3,6-Dioxo-decanoic acid
ME164660
-
-
3.0615351
-
3-ketosphingosine
3-Ketosphingosine
ME164723
-
-
13.001573
-
4-heptynoic acid
4-Heptynoic acid
ME164643
-
-
1.3236178
-
4-Hydroxy-2-butynal
4-Hydroxybut-2-ynal
ME164610
-
C02648
0.9157354
-
4-Oxoproline
4-Oxo-proline
ME164644
-
C01877
1.3279362
-
6-Methoxyquinoline
6-Methoxyquinoline
ME164661
-
-
3.1908777
-
7(Z),11(Z)-Heptacosadiene
7Z,11Z-Heptacosadiene
ME164750
-
-
5.0781894
-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid
9,13-Dihydroxy-10-ethoxy-11-octadecenoic acid
ME164698
-
-
10.442167
-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10...
9,13-Dihydroxy-10-ethoxy-11-octadecenoic acid
ME164742
-
-
10.442588
-
9,13-dihydroxy-10-ethoxy-11-octadecenoic acid + 10...
9,13-Dihydroxy-10-ethoxy-11-octadecenoic acid
ME164707
-
-
10.527603
-
Acetoacetic acid
Acetoacetic acid
ME164617
-
C00164
0.96769637
-
Acetone cyanohydrin
2-Hydroxy-2-methylpropanenitrile
ME164740
-
C02659
1.3337828
-
ADMA
Dimethylarginine
ME164631
-
C03626
1.0736225
-
Alanine
Alanine
ME164620
-
C01401
0.98917526
-
alpha-Hydroxytamoxifen
alpha-Hydroxytamoxifen
ME164688
-
C16544
8.097681
-
Amitrole
Amitrole
ME164601
-
C11261
0.8528662
-
Avizafone
Avizafone
ME164737
-
C11725
10.521523
-
Barbital
5,5-Diethylbarbituric acid
ME164654
-
-
1.5800242
-
Benzaldehyde
Benzaldehyde
ME164663
-
C00261
3.3674893
-
Buprenorphine
Buprenorphine
ME164697
-
C08007
10.409461
-
C12
CAR 12:0
ME164749
-
-
0.7959821
-
Caproic acid
Caproic acid
ME164650
-
C01585
1.331534
-
CB3717
10-Propargyl-5,8-dideazafolic acid
ME164685
-
C11737
8.012016
-
Corticosterone
Corticosterone
ME164686
-
C02140
8.021635
-
Creatinine
Creatinine
ME164623
-
C00791
1.0088667
-
DL-pipecolic acid
Pipecolic acid
ME164600
-
C00408
0.83639187
-
endo-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3...
-
ME164682
-
-
6.572036
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME164692
-
C15382
9.476321
-
Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triac...
-
ME164704
-
C15382
10.542064
-
Fexofenadine
Fexofenadine
ME164714
-
C06999
11.028918
-
Gymnodimine
Gymnodimine
ME164718
-
C20025
11.296145
-
Heptanoic acid, 2-amino-, (R)-; (R)-2-Aminoheptano...
-
ME164628
-
-
1.04263
-
Hydroxyibuprofen
Hydroxyibuprofen
ME164690
-
-
8.850112
-
Ile Pro
Ile-Pro
ME164747
-
-
1.3288687
-
Indoleacrylic acid
Indoleacrylic acid
ME164668
-
C00331
3.9084373
-
Isowillardiine
Isowillardiine
ME164618
-
C08289
0.9697428
-
L-alpha-glutamyl-L-hydroxyproline
-
ME164689
-
-
8.386641
-
L-Glutamic acid dibutyl ester
-
ME164736
-
-
5.744078
-
L-Glutamic acid n-butyl ester
-
ME164648
-
-
1.3262129
-
L-Glutamic acid n-butyl ester + 1.51668
-
ME164651
-
-
1.51668
-
L-Isoleucine
Isoleucine
ME164731
-
C00407
1.932036
-
L-Leucine
Leucine
ME164657
-
C00123
1.7926453
-
L-Pipecolic acid
Pipecolic acid
ME164629
-
C00408
1.055295
-
L-Tryptophan
Tryptophan
ME164741
-
C00078
3.9088888
-
L-Valine
Valine
ME164614
-
C00183
0.93732774
-
L-Valine + 1.2355758
Valine
ME164638
-
C00183
1.2355758
-
Lys Lys Lys
Lys-Lys-Lys
ME164700
-
-
10.46364
-
Lys Lys Lys + 10.543157
Lys-Lys-Lys
ME164708
-
-
10.543157
-
LysoPE(0:0/18:2(9Z,12Z))
LPE 0:0/18:2(9Z,12Z)*
ME164715
-
-
11.047896
-
LysoPE(0:0/22:0)
LPE 0:0/22:0
ME164722
-
-
12.834578
-
Methdilazine
Methdilazine
ME164666
-
C07175
3.5842211
-
MS-275
-
ME164751
-
-
5.0790086
-
N4-Acetylaminobutanal
N4-Acetylaminobutanal
ME164639
-
C05936
1.3036062
-
N(alpha)-t-Butoxycarbonyl-L-leucine
-
ME164667
-
C04301
3.8533192
-
N(alpha)-t-Butoxycarbonyl-L-leucine + 3.9469597
-
ME164669
-
C04301
3.9469597
-
Naphthalic anhydride
-
ME164606
-
C19125
0.90065885
-
Niacin (Nicotinic acid)
Nicotinic acid
ME164632
-
C00253
1.097304
-
Nitrapyrin
-
ME164677
-
C18751
5.145276
-
N-Methyl-2-pyrrolidinone
2-Pyrrolidinone
ME164733
-
C11118
3.538678
-
N-n-Hexanoylglycine methyl ester
-
ME164627
-
-
1.0380604
-
Oxindole
Indolin-2-one
ME164671
-
C12312
4.357333
-
Oxyquinoline
Quinolin-8-ol
ME164681
-
C19434
6.1905494
-
p-Aminobenzoic acid
p-Aminobenzoic acid
ME164739
-
C00568
0.99348116
-
Pantoic acid
(R)-Pantoic acid
ME164735
-
C00522
4.2516723
-
PE(18:0/0:0)
LPE 18:0/0:0
ME164713
-
-
11.020047
-
PE(19:1(9Z)/0:0)
PE 19:1(9Z)/0:0
ME164703
-
-
10.510197
-
PE(19:1(9Z)/0:0) + 10.729481
PE 19:1(9Z)/0:0
ME164709
-
-
10.729481
-
PE(19:1(9Z)/0:0) + 10.803823
PE 19:1(9Z)/0:0
ME164710
-
-
10.803823
-
Phe His Phe
Phe-His-Phe
ME164673
-
-
4.6606
-
Phenacylamine
-
ME164652
-
-
1.5968683
-
Phenylpyruvic acid
Phenylpyruvic acid
ME164653
-
C00166
1.5971736
-
Piperideine
Piperideine
ME164599
-
C06181
0.8367317
-
Piperideine + 1.3051474
Piperideine
ME164640
-
C06181
1.3051474
-
Prometon
Prometon
ME164656
-
C14186
1.5912669
-
Prometon + 1.7550333
Prometon
ME164658
-
C14186
1.7550333
-
Prostaglandin D1 Alcohol
-
ME164705
-
-
10.530775
-
Rebaudioside C
-
ME164687
-
-
8.096962
-
Sarcoaldesterol A
-
ME164748
-
C19656
8.010402
-
(S)-ATPA
(S)-ATPA
ME164634
-
C13733
1.1289841
-
Taurine
Taurine
ME164607
-
C00245
0.89985734
-
(+)-Tephrorin A
Tephrorin A
ME164684
-
-
8.011135
-
Tetrahydrofuran
Tetrahydrofuran
ME164670
-
-
4.1956863
-
Thr Ser Ser
Thr-Ser-Ser
ME164624
-
-
1.0145044
-
Tranexamic acid
Tranexamic acid
ME164642
-
C12535
1.3197683
-
Traumatic Acid
Traumatic acid
ME164675
-
C16308
4.7458344
-
Trp Tyr Tyr
Trp-Tyr-Tyr
ME164745
-
-
5.0374207
-
Tubastatin A
-
ME164732
-
-
3.1900206
-
Tyr Thr Gln
Tyr-Thr-Gln
ME164676
-
-
5.035639
-
Urea
Urea
ME164615
-
C00086
0.9478241
-
Uric acid
Uric acid
ME164641
-
C00366
1.312818
-
Val Gly
Val-Gly
ME164730
-
-
1.0840595
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
Terms of use
Site map
Contact
NMDR Personnel