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Return to study ST000422 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
10,12,15-octadecatrienoic acid
10,12,15-Octadecatrienoic acid
ME142558
-
-
-
-
11-amino-undecanoic acid
11-Aminoundecanoic acid
ME143404
-
-
-
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME143132
-
-
-
-
Hydroxyhydroquinone + 2.6783457
1,2,4-Trihydroxybenzene
ME143155
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME142406
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 0....
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME142431
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 0....
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME142457
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 1....
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME142799
-
-
-
-
12-oxo-10Z-dodecenoic acid
12-Oxo-10Z-dodecenoic acid
ME142636
-
-
-
-
12-oxo-9-octadecynoic acid
12-Oxo-9-octadecynoic acid
ME142684
-
-
-
-
12-oxo-9-octadecynoic acid + 1.0624902
12-Oxo-9-octadecynoic acid
ME144079
-
-
-
-
1-(2-Pyrimidyl)piperazine
1-(2-Pyrimidyl)piperazine
ME144037
-
-
-
-
1-(2-Pyrimidyl)piperazine + 5.1889305
1-(2-Pyrimidyl)piperazine
ME144045
-
-
-
-
13E,17-octadecadienoic acid
13E,17-Octadecadienoic acid
ME142554
-
-
-
-
14-hydroxy-12-tetradecenoic acid
14-Hydroxy-12-tetradecenoic acid
ME142575
-
-
-
-
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid
16-HpOTrE
ME142650
-
-
-
-
19'-Hexanoyloxyfucoxanthinol
19'-Hexanoyloxyfucoxanthinol
ME143909
-
-
-
-
19'-Hexanoyloxyfucoxanthinol + 7.361186
19'-Hexanoyloxyfucoxanthinol
ME144142
-
-
-
-
1-Aminocyclopropane-1-carboxylic acid
1-Aminocyclopropanecarboxylic acid
ME143623
-
-
-
-
1-Aminocyclopropane-1-carboxylic acid + 6.633693
1-Aminocyclopropanecarboxylic acid
ME144138
-
-
-
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME142866
-
-
-
-
1-Aminocyclohexanecarboxylic acid + 7.1225743
1-Azaniumylcyclohexane-1-carboxylate
ME143865
-
-
-
-
1-Aminocyclohexanecarboxylic acid + 7.6290727
1-Azaniumylcyclohexane-1-carboxylate
ME143882
-
-
-
-
1-Aminocyclohexanecarboxylic acid + 7.9522114
1-Azaniumylcyclohexane-1-carboxylate
ME143884
-
-
-
-
1-Hexadecylamine
1-Hexadecylamine
ME143139
-
-
-
-
1-Hexadecylamine + 3.6846936
1-Hexadecylamine
ME143257
-
-
-
-
1-Hydroxyvitamin D3 3-D-glucopyranoside
1-Hydroxyvitamin D3 3-D-glucopyranoside
ME143783
-
-
-
-
1-Methyladenosine
1-Methyladenosine
ME143663
-
-
-
-
1-Methylguanine
1-Methylguanine
ME143256
-
-
-
-
1-Methylguanosine
1-Methylguanosine
ME143215
-
-
-
-
1-Methylinosine
1-Methylinosine
ME143119
-
-
-
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME143931
-
-
-
-
20alpha-Dihydroprednisolone
20alpha-dihydroprednisolone
ME143027
-
-
-
-
2,5-decadienoic acid
2,5-Decadienoic acid
ME142645
-
-
-
-
25-hydroxy-26,27-dimethylvitamin D3 / 25-hydroxy-2...
25-Hydroxy-26,27-dimethylvitamin D3
ME142505
-
-
-
-
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME142809
-
-
-
-
2,8-decadiene-4,6-diyn-1-al
2,8-Decadiene-4,6-diyn-1-al
ME143997
-
-
-
-
DL-2-Aminooctanoic acid
2-Aminocaprylic acid
ME143679
-
-
-
-
DL-2-Aminooctanoic acid + 6.633369
2-Aminocaprylic acid
ME143823
-
-
-
-
o-Hydroxyaniline
2-Aminophenol
ME142419
-
-
-
-
2-Aminopropanol
2-Aminopropanol
ME143712
-
-
-
-
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho...
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acid
ME142405
-
-
-
-
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho...
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acid
ME143015
-
-
-
-
alpha-Ketopantoic acid
2-Dehydropantoic acid
ME142698
-
-
-
-
2-Hydroxyadipic acid
2-Hydroxyadipic acid
ME143137
-
-
-
-
2-Hydroxyadipic acid + 2.6645286
2-Hydroxyadipic acid
ME143147
-
-
-
-
2-Hydroxyadipic acid + 2.7195904
2-Hydroxyadipic acid
ME143161
-
-
-
-
2-Hydroxyiminodibenzyl
2-Hydroxyiminodibenzyl
ME143121
-
-
-
-
2-hydroxypyridine
2-Hydroxypyridine
ME143214
-
-
-
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME143008
-
-
-
-
2-Methylbutyrylglycine + 2.0658128
2-Methylbutyrylglycine
ME143082
-
-
-
-
2-Methylbutyrylglycine + 3.1855338
2-Methylbutyrylglycine
ME143221
-
-
-
-
2-Methylbutyrylglycine + 6.5119143
2-Methylbutyrylglycine
ME143793
-
-
-
-
(E)-2-Methylglutaconic acid
2-Methylglutaconic acid
ME143164
-
-
-
-
(E)-2-Methylglutaconic acid + 2.6909642
2-Methylglutaconic acid
ME144101
-
-
-
-
(E)-2-Methylglutaconic acid + 7.1278715
2-Methylglutaconic acid
ME143864
-
-
-
-
2-methyl-tridecanedioic acid
2-Methyl-tridecanedioic acid
ME142596
-
-
-
-
2-Octenedioic acid
2-Octenedioic acid
ME143974
-
-
-
-
2-Pyrrolidinone
2-Pyrrolidinone
ME142966
-
-
-
-
2-Pyrrolidinone + 2.0412295
2-Pyrrolidinone
ME143076
-
-
-
-
2-Pyrrolidinone + 2.7877567
2-Pyrrolidinone
ME143190
-
-
-
-
2-Pyrrolidinone + 3.2443242
2-Pyrrolidinone
ME143227
-
-
-
-
2-Pyrrolidinone + 3.7429416
2-Pyrrolidinone
ME143261
-
-
-
-
2R-aminoheptanoic acid
2R-Aminoheptanoic acid
ME143867
-
-
-
-
3,5-hexadienoic acid
3,5-Hexadienoic acid
ME142812
-
-
-
-
3,6,8-dodecatrien-1-ol
3,6,8-Dodecatrien-1-ol
ME142516
-
-
-
-
3,6-octadecadiynoic acid
3,6-Octadecadiynoic acid
ME142623
-
-
-
-
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acid
ME142603
-
-
-
-
3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-chola...
3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic acid
ME143570
-
-
-
-
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid
ME143195
-
-
-
-
3E,5E-tridecadienoic acid
3E,5E-Tridecadienoic acid
ME142800
-
-
-
-
3-hexenal
3-Hexenal
ME143534
-
-
-
-
3-hexenal + 1.1179125
3-Hexenal
ME143968
-
-
-
-
3-Indolepropionic acid
3-Indolepropionic acid
ME142708
-
-
-
-
3-Methyl-3Z-Pentenoic Acid
3-Methyl-3Z-pentenoic acid
ME142538
-
-
-
-
3-Methyl-3Z-Pentenoic Acid + 1.2662184
3-Methyl-3Z-pentenoic acid
ME142898
-
-
-
-
3-Methyldioxyindole
3-Methyldioxyindole
ME143280
-
-
-
-
3-Methylxanthine
3-Methylxanthine
ME143983
-
-
-
-
3-Methylxanthine + 1.594748
3-Methylxanthine
ME144166
-
-
-
-
3-oxo-4-pentenoic acid
3-Oxo-4-pentenoic acid
ME143131
-
-
-
-
3-oxo-4-pentenoic acid + 2.668039
3-Oxo-4-pentenoic acid
ME143152
-
-
-
-
3-Oxovalproic acid
3-Oxovalproicacid
ME143871
-
-
-
-
3R-hydroxy-5Z-dodecenoic acid
3R-Hydroxy-5Z-dodecenoic acid
ME142653
-
-
-
-
3-tert-butyl-3-butenoic acid
3-tert-Butyl-3-butenoic acid
ME142528
-
-
-
-
4,4'-Diapolycopene
4,4'-Diapolycopene
ME144076
-
-
-
-
4,7,10,13,16-docosapentaenoic acid
4,7,10,13,16-Docosapentaenoic acid
ME142446
-
-
-
-
4,7,10,13-hexadecatetraenoic acid
4,7,10,13-Hexadecatetraenoic acid
ME142710
-
-
-
-
4,8,12,15,19,21-tetracosahexaenoic acid
4,8,12,15,19,21-Tetracosahexaenoic acid
ME142822
-
-
-
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME143435
-
-
-
-
4-Aminobutyraldehyde + 5.281818
4-Aminobutyraldehyde
ME143460
-
-
-
-
p-Hydroxyaniline
4-Aminophenol
ME142439
-
-
-
-
4-dodecynoic acid
4-Dodecynoic acid
ME142537
-
-
-
-
4-Guanidinobutanoate
4-Guanidinobutanoic acid
ME143668
-
-
-
-
4-Hydroxybenzyl cyanide
4-Hydroxybenzeneacetonitrile
ME142420
-
-
-
-
4-hydroxy pelargonic acid
4-Hydroxypelargonic acid
ME142657
-
-
-
-
4-Nitroquinoline-1-oxide
4-Nitroquinoline N-oxide
ME143090
-
-
-
-
4-Hydroxypyridine
4-Pyridone
ME142430
-
-
-
-
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylh...
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
ME144124
-
-
-
-
(+/-)5,6-DiHETrE
5,6-DiHETrE
ME142590
-
-
-
-
(+/-)5,6-DiHETrE + 1.1581783
5,6-DiHETrE
ME142743
-
-
-
-
5,7-nonadienoic acid
5,7-Nonadienoic acid
ME142807
-
-
-
-
5,8-Dihydroxy-3,4-dihydrocarbostyril
5,8-Dihydroxy-3,4-dihydrocarbostyril
ME143213
-
-
-
-
5-Acetyl-4-methylthiazole
5-Acetyl-4-methylthiazole
ME142946
-
-
-
-
5-Androstene-3b,16b,17a-triol
5-Androstene-3beta,16beta,17alpha-triol
ME144147
-
-
-
-
5-Methylthioribose
5-Methylthioribose
ME143184
-
-
-
-
6-[3]-ladderane-1-hexanol
6-[3]-Ladderane-1-hexanol
ME142552
-
-
-
-
6,8-dihydroxy-octanoic acid
6,8-Dihydroxyoctanoic acid
ME143007
-
-
-
-
6,9,12-hexadecatrienoic acid
6,9,12-hexadecatrienoic acid
ME142574
-
-
-
-
6alpha-Hydroxycastasterone
6alpha-Hydroxycastasterone
ME142564
-
-
-
-
6-Formylindolo [3,2-B] carbazole
6-Formylindolo[3,2-B]carbazole
ME143511
-
-
-
-
6-hydroxy-2-hexynoic acid
6-Hydroxy-2-hexynoic acid
ME143057
-
-
-
-
7,12-Dioxo-5beta-cholan-24-oic Acid
7,12-Dioxo-5beta-cholan-24-oic acid
ME142503
-
-
-
-
7,8-dihydroxy stearic acid
7,8-Dihydroxy stearic acid
ME142565
-
-
-
-
7-Hydroxymethotrexate
7-Hydroxymethotrexate
ME143020
-
-
-
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME142922
-
-
-
-
8-Amino-7-oxononanoate + 7.2430987
8-Amino-7-oxononanoic acid
ME143872
-
-
-
-
8-Amino Caprylic acid
8-Aminooctanoic acid
ME143839
-
-
-
-
8-Amino Caprylic acid + 6.837762
8-Aminooctanoic acid
ME143848
-
-
-
-
8-methoxy-13-hydroxy-9,11-octadecadienoic acid
8-Methoxy-13-hydroxy-9,11-octadecadienoic acid
ME142719
-
-
-
-
9,13-dihydroxy-11-octadecenoic acid
9,13-DiHOME(11)
ME142553
-
-
-
-
9-amino-nonanoic acid
9-Aminononanoic acid
ME143339
-
-
-
-
9-amino-nonanoic acid + 1.2047073
9-Aminononanoic acid
ME143964
-
-
-
-
9-amino-nonanoic acid + 4.605744
9-Aminononanoic acid
ME143362
-
-
-
-
9-deoxy-9-methylene-16,16-dimethyl -PGE2
9-Deoxy-9-methylene-16,16-dimethyl -PGE2
ME142638
-
-
-
-
9-lauroleic acid
9-Dodecenoic acid
ME142519
-
-
-
-
9-hydroxy-12-oxo-10-octadecenoic acid
9-Hydroxy-12-oxo-10-octadecenoic acid
ME144163
-
-
-
-
ACECLIDINE
Aceclidine
ME142919
-
-
-
-
Acenocoumarol
Acenocoumarol
ME142410
-
-
-
-
Acetamide
Acetamide
ME142917
-
-
-
-
Acetoacetic acid
Acetoacetic acid
ME143156
-
-
-
-
Acetoacetic acid + 2.6694648
Acetoacetic acid
ME143176
-
-
-
-
Acetoacetic acid + 7.447589
Acetoacetic acid
ME143880
-
-
-
-
Acetoin
Acetoin
ME142979
-
-
-
-
Acetoin + 1.7575139
Acetoin
ME142998
-
-
-
-
Acipimox
Acipimox
ME143091
-
-
-
-
Adenine
Adenine
ME143199
-
-
-
-
Adenine + 3.4309747
Adenine
ME144024
-
-
-
-
allopurinol
Allopurinol
ME143142
-
-
-
-
alpha-Hydroxymetoprolol
alpha-Hydroxymetoprolol
ME143726
-
-
-
-
L-2-Aminoadipic acid
Aminoadipic acid
ME143151
-
-
-
-
ANCITABINE
Ancitabine
ME143237
-
-
-
-
Androsterone
Androsterone
ME142449
-
-
-
-
Anhydrorhodovibrin
Anhydrorhodovibrin
ME142597
-
-
-
-
ANISOMYCIN
Anisomycin
ME143787
-
-
-
-
L-Alanine n-butyl ester
Arabinonic acid
ME143727
-
-
-
-
ARECOLINE
Arecoline
ME142950
-
-
-
-
Asp Met Asp
Asp-Met-Asp
ME143892
-
-
-
-
Benserazide
Benserazide
ME143240
-
-
-
-
Benzyl alcohol
Benzyl alcohol
ME144072
-
-
-
-
BERGENIN
Bergenin
ME143994
-
-
-
-
beta-Alanine
beta-Alanine
ME143736
-
-
-
-
beta-Alanine + 6.8803706
beta-Alanine
ME143852
-
-
-
-
beta-vinyl acrylic acid
beta-Vinyl acrylic acid
ME143122
-
-
-
-
beta-vinyl acrylic acid + 2.0097528
beta-Vinyl acrylic acid
ME143990
-
-
-
-
beta-vinyl acrylic acid + 2.6757517
beta-Vinyl acrylic acid
ME143150
-
-
-
-
Bilirubin
Bilirubin
ME142535
-
-
-
-
Bilirubin + 1.1141803
Bilirubin
ME142726
-
-
-
-
Bilirubin + 3.9510157
Bilirubin
ME143282
-
-
-
-
Biliverdin IX
Biliverdin
ME142795
-
-
-
-
Biliverdin IX + 1.5380905
Biliverdin
ME142954
-
-
-
-
Biliverdin IX + 1.6137809
Biliverdin
ME142975
-
-
-
-
Biliverdin IX + 1.9856964
Biliverdin
ME143025
-
-
-
-
Brassinolide
Brassinolide
ME142689
-
-
-
-
BUFEXAMAC
Bufexamac
ME144000
-
-
-
-
Buprenorphine
Buprenorphine
ME143788
-
-
-
-
Buprenorphine + 6.5690656
Buprenorphine
ME143812
-
-
-
-
Cadaverine
Cadaverine
ME143203
-
-
-
-
Caffeine
Caffeine
ME143970
-
-
-
-
n-Hexanoic Acid
Caproic acid
ME142870
-
-
-
-
Carbaryl
Carbaryl
ME142902
-
-
-
-
ciclopirox
Ciclopirox
ME142957
-
-
-
-
p-Coumaric acid
cis-p-Coumaric acid
ME143611
-
-
-
-
Ubiquinone 8
Coenzyme Q8
ME143658
-
-
-
-
Creatine
Creatine
ME143851
-
-
-
-
Creatinine
Creatinine
ME143117
-
-
-
-
Creatinine + 3.973352
Creatinine
ME143284
-
-
-
-
Cys Ile His
Cys-Ile-His
ME143052
-
-
-
-
Cys Met
Cys-Met
ME143616
-
-
-
-
Cytosine
Cytosine
ME143101
-
-
-
-
Cytosine + 3.3837235
Cytosine
ME143239
-
-
-
-
Cytosine + 3.9137423
Cytosine
ME143278
-
-
-
-
D-1-Piperideine-2-carboxylic acid
D-1-Piperideine-2-carboxylic acid
ME143574
-
-
-
-
Demeclocycline
Demeclocycline
ME143597
-
-
-
-
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...
DG 16:1_17:2
ME142559
-
-
-
-
Diacetyl
Diacetyl
ME142951
-
-
-
-
Diacetyl + 2.545552
Diacetyl
ME144003
-
-
-
-
Diacetyl + 2.6585124
Diacetyl
ME143160
-
-
-
-
Diacetyl + 7.1288037
Diacetyl
ME143866
-
-
-
-
Diazepam
Diazepam
ME143070
-
-
-
-
Diethanolamine
Diethanolamine
ME143442
-
-
-
-
Diethanolamine + 5.581257
Diethanolamine
ME143542
-
-
-
-
Diethanolamine + 5.7690396
Diethanolamine
ME143619
-
-
-
-
Diethanolamine + 6.4915724
Diethanolamine
ME143796
-
-
-
-
Dimethylglycine
Dimethylglycine
ME142995
-
-
-
-
Dimethylglycine + 6.40687
Dimethylglycine
ME143757
-
-
-
-
dimethyl sulfoxide
Dimethyl sulfoxide
ME143005
-
-
-
-
D-Leucic acid
D-Leucic acid
ME142976
-
-
-
-
D-Leucic acid + 1.775536
D-Leucic acid
ME142996
-
-
-
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME143553
-
-
-
-
Ecgonine
Ecgonine
ME143804
-
-
-
-
2,4-octadienal
(E,E)-2,4-Octadienal
ME142532
-
-
-
-
Anandamide (20:2, n-6)
Eicosadienoyl-EA
ME142424
-
-
-
-
Eicosanedioic acid
Eicosanedioic acid
ME143673
-
-
-
-
Anandamide (20:5, n-3)
Eicosapentenoyl-EA
ME142515
-
-
-
-
Erythromycin
Erythromycin
ME143776
-
-
-
-
Ethosuximide
Ethosuximide
ME143377
-
-
-
-
Ethylene glycol
Ethylene glycol
ME143019
-
-
-
-
4,6-Diamino-5-formamidopyrimidine
FAPy-adenine
ME143241
-
-
-
-
Fexofenadine
Fexofenadine
ME143447
-
-
-
-
Fexofenadine + 5.334997
Fexofenadine
ME143472
-
-
-
-
Gabapentin
Gabapentin
ME143860
-
-
-
-
GlcAbeta-Cer(d18:1/18:0)
GlcAbeta-Cer 18:1;O2/18:0
ME143415
-
-
-
-
Glucoheptonic acid
Glucoheptonic acid
ME143543
-
-
-
-
Glucosamine
Glucosamine
ME144104
-
-
-
-
a-Glucose
Glucose
ME144022
-
-
-
-
D-Glucose
Glucose
ME142925
-
-
-
-
Glu Met Glu
Glu-Met-Glu
ME143891
-
-
-
-
Glutaral (Glutaraldehyde)
Glutaral
ME142905
-
-
-
-
Glutaral (Glutaraldehyde) + 6.6337214
Glutaral
ME143822
-
-
-
-
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME143382
-
-
-
-
Gly Gly Gly
Gly-Gly-Gly
ME143058
-
-
-
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME143579
-
-
-
-
Guanidinosuccinic Acid + 5.756057
Guanidinosuccinic acid
ME143602
-
-
-
-
HARMINE
Harmine
ME143984
-
-
-
-
Hematoporphyrin
Hematoporphyrin
ME142676
-
-
-
-
hexane
Hexane
ME142806
-
-
-
-
His Thr Asn
His-Thr-Asn
ME143068
-
-
-
-
Homoserine
Homoserine
ME144027
-
-
-
-
Hydrocortisone succinate
Hydrocortisone succinate
ME143232
-
-
-
-
Ile Ala
Ile-Ala
ME142852
-
-
-
-
Ile Ala + 7.037262
Ile-Ala
ME143861
-
-
-
-
INDOLE-3-CARBINOL
Indole-3-carbinol
ME142416
-
-
-
-
Indoleacetaldehyde
Indoleacetaldehyde
ME143831
-
-
-
-
3-Indoleacetic Acid
Indoleacetic acid
ME142742
-
-
-
-
Indoleacrylic acid
Indoleacrylic acid
ME143484
-
-
-
-
Indospicine
Indospicine
ME143692
-
-
-
-
Indoxylsulfuric acid
Indoxyl sulfate
ME143896
-
-
-
-
Irbesartan
Irbesartan
ME143531
-
-
-
-
Isoleucine
Isoleucine
ME143313
-
-
-
-
ISOPIMPINELLIN
Isopimpinellin
ME143170
-
-
-
-
Isoquinoline
Isoquinoline
ME142735
-
-
-
-
ISOSAFROLE
Isosafrole
ME142512
-
-
-
-
ISOSAFROLE + 1.0903074
Isosafrole
ME142672
-
-
-
-
KOBUSONE
Kobusone
ME142582
-
-
-
-
Lactaldehyde
Lactaldehyde
ME144098
-
-
-
-
Lamivudine
Lamivudine
ME142422
-
-
-
-
Leucine
Leucine
ME143578
-
-
-
-
Leucine + 5.7596836
Leucine
ME143608
-
-
-
-
Leucine + 6.673633
Leucine
ME143829
-
-
-
-
Leupeptin
Leupeptin
ME142803
-
-
-
-
Leu Pro
Leu-Pro
ME143883
-
-
-
-
Leu Pro + 7.972919
Leu-Pro
ME143885
-
-
-
-
Leu Thr
Leu-Thr
ME142798
-
-
-
-
Levamisole
Levamisole
ME142707
-
-
-
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME142526
-
-
-
-
Loroxanthin ester/ Loroxanthin dodecenoate
Loroxanthin dodecenoate
ME143424
-
-
-
-
Linolenoyl lysolecithin
LPC 18:3
ME144064
-
-
-
-
GPEtn(18:0/0:0)
LPE 18:0/0:0
ME143801
-
-
-
-
LTB4 ethanol amide
LTB4 ethanol amide
ME142681
-
-
-
-
L-Urobilin
L-Urobilin
ME142935
-
-
-
-
Lys Asn Pro
Lys-Asn-Pro
ME144054
-
-
-
-
Lys Gln Ile
Lys-Gln-Ile
ME144025
-
-
-
-
Lys His Met
Lys-His-Met
ME142699
-
-
-
-
Lys Trp Pro
Lys-Trp-Pro
ME142990
-
-
-
-
Methionine
Methionine
ME143226
-
-
-
-
1-hexadecanoyl-sn-glycerol
MG 16:0/0:0/0:0
ME142639
-
-
-
-
1-octadecanoyl-rac-glycerol
MG 18:0
ME142593
-
-
-
-
1-(11E-octadecenoyl)-rac-glycerol
MG 18:1
ME142711
-
-
-
-
1-(9Z,12Z-octadecadienoyl)-rac-glycerol
MG 18:2
ME142658
-
-
-
-
Phthalic acid Mono-2-ethylhexyl Ester
Monoethylhexyl phthalic acid
ME142504
-
-
-
-
Myricetin
Myricetin
ME143980
-
-
-
-
N1-Acetylspermidine
N1-Acetylspermidine
ME143889
-
-
-
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME143238
-
-
-
-
N-Acetylarylamine
N-Acetylarylamine
ME143609
-
-
-
-
N-Acetyl-beta-D-mannosamine
N-Acetyl-mannosamine
ME143220
-
-
-
-
NADH
NADH
ME144135
-
-
-
-
Nadolol
Nadolol
ME143686
-
-
-
-
Nalidixic acid
Nalidixic acid
ME143038
-
-
-
-
Nalorphine
Nalorphine
ME142682
-
-
-
-
N-arachidonoyl D-serine
N-Arachidonoyl D-serine
ME143573
-
-
-
-
Neomethymycin
Neomethymycin
ME143962
-
-
-
-
Netilmicin
Netilmicin
ME143306
-
-
-
-
Neuraminic acid
Neuraminic acid
ME143200
-
-
-
-
Nevirapine
Nevirapine
ME142937
-
-
-
-
Niacinamide
Niacinamide
ME144155
-
-
-
-
3-Nitrotyrosine
Nitrotyrosine
ME143095
-
-
-
-
n-methylnicotinamide
N-Methylnicotinamide
ME142901
-
-
-
-
n-methylnicotinamide + 1.3655726
N-Methylnicotinamide
ME142912
-
-
-
-
n-methylnicotinamide + 5.7810454
N-Methylnicotinamide
ME143625
-
-
-
-
n-methylnicotinamide + 5.9846854
N-Methylnicotinamide
ME143656
-
-
-
-
N,N-dimethylhistidine
N,N-Dimethylhistidine
ME143366
-
-
-
-
Norcodeine
Norcodeine
ME142727
-
-
-
-
Normeperidinic acid
Normeperidinicacid
ME143678
-
-
-
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]
NPPB
ME142768
-
-
-
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 2...
NPPB
ME143088
-
-
-
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 5...
NPPB
ME144130
-
-
-
-
Ophiobolin A
Ophiobolin A
ME144049
-
-
-
-
2-Oxovaleric acid
Oxovaleric acid
ME143185
-
-
-
-
Oxymorphone
Oxymorphone
ME142865
-
-
-
-
GPA(17:0/20:4(5Z,8Z,11Z,14Z))
PA 17:0/20:4(5Z,8Z,11Z,14Z)
ME143449
-
-
-
-
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME143421
-
-
-
-
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 5.16726
PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME143438
-
-
-
-
p-Aminobenzoic acid
p-Aminobenzoic acid
ME143017
-
-
-
-
p-Aminobenzoic acid + 6.617126
p-Aminobenzoic acid
ME143819
-
-
-
-
Pantothenic Acid
Pantothenic acid
ME143125
-
-
-
-
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME143335
-
-
-
-
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]
PE 18:0/18:3(9Z,12Z,15Z)
ME143344
-
-
-
-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]
PE 18:0/20:4(5Z,8Z,11Z,14Z)
ME143331
-
-
-
-
GPEtn(18:1(11Z)/18:1(9Z))[U]
PE 18:1(11Z)/18:1(9Z)
ME143102
-
-
-
-
GPEtn(18:1(11Z)/18:1(9Z))[U] + 2.466392
PE 18:1(11Z)/18:1(9Z)
ME143127
-
-
-
-
GPEtn(22:0/20:1(11Z))
PE 22:0/20:1(11Z)
ME143411
-
-
-
-
pentanamide
Pentanamide
ME143881
-
-
-
-
Perphenazine
Perphenazine
ME143167
-
-
-
-
GPGro(18:0/18:0)[U]
PG 18:0/18:0
ME142486
-
-
-
-
GPGro(18:0/20:4(5Z,8Z,11Z,14Z))
PG 18:0/20:4(5Z,8Z,11Z,14Z)
ME144126
-
-
-
-
GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME142670
-
-
-
-
PGF2alpha isopropyl ester
PGF2alpha isopropyl ester
ME142732
-
-
-
-
PGI3
PGI3
ME142752
-
-
-
-
Phe Leu
Phe-Leu
ME143242
-
-
-
-
Phe Leu + 3.7518454
Phe-Leu
ME143263
-
-
-
-
Phenacetine
Phenacetin
ME143655
-
-
-
-
Phenol
Phenol
ME143173
-
-
-
-
Phenylmethyl methyl ketone
Phenylacetone
ME142700
-
-
-
-
Ethanolamine phosphate (Phosphoethanolamine)
Phosphoethanolamine
ME143084
-
-
-
-
Phosphoric acid
Phosphoric acid
ME142625
-
-
-
-
GPIns(16:0/16:0)
PI 16:0/16:0
ME143418
-
-
-
-
GPIns(16:0/18:1(9Z))
PI 16:0/18:1(9Z)
ME143209
-
-
-
-
GPIns(16:0/18:1(9Z)) + 3.1299436
PI 16:0/18:1(9Z)
ME143218
-
-
-
-
GPIns(16:0/18:1(9Z)) + 5.007019
PI 16:0/18:1(9Z)
ME143412
-
-
-
-
Pilocarpine
Pilocarpine
ME142874
-
-
-
-
Pinacidil
Pindac
ME143794
-
-
-
-
Pivampicillin
Pivampicillin
ME142895
-
-
-
-
Pro His
Pro-His
ME143624
-
-
-
-
Pro His Gly
Pro-His-Gly
ME143981
-
-
-
-
Proline
Proline
ME143023
-
-
-
-
Proline + 6.253225
Proline
ME143706
-
-
-
-
PROPARGITE
Propargite
ME142460
-
-
-
-
Propofol
Propofol
ME142527
-
-
-
-
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...
PS 18:0_18:1
ME143444
-
-
-
-
Purine
Purine
ME143452
-
-
-
-
Purine + 5.749242
Purine
ME143593
-
-
-
-
Purine + 6.369356
Purine
ME143821
-
-
-
-
Pyrazinoic acid
Pyrazine-2-carboxylic ccid
ME143096
-
-
-
-
Pyridine
Pyridine
ME142883
-
-
-
-
Pyridoxamine
Pyridoxamine
ME142963
-
-
-
-
Pyroglutamic acid
Pyroglutamic acid
ME143426
-
-
-
-
Pyroglutamic acid + 5.771221
Pyroglutamic acid
ME143620
-
-
-
-
Pyroglutamic acid + 6.7862115
Pyroglutamic acid
ME143849
-
-
-
-
Pyroglutamic acid + 6.7877192
Pyroglutamic acid
ME143844
-
-
-
-
Methylglyoxal
Pyruvaldehyde
ME143140
-
-
-
-
Methylglyoxal + 2.6778965
Pyruvaldehyde
ME143157
-
-
-
-
Quinic acid
Quinic acid
ME143045
-
-
-
-
OXYQUINOLINE
Quinolin-8-ol
ME142703
-
-
-
-
OXYQUINOLINE + 1.1660604
Quinolin-8-ol
ME142779
-
-
-
-
OXYQUINOLINE + 5.4957175
Quinolin-8-ol
ME143526
-
-
-
-
Quinone
Quinone
ME143136
-
-
-
-
Quinone + 2.6753414
Quinone
ME143163
-
-
-
-
Rescinnamine
Rescinnamine
ME143580
-
-
-
-
Rescinnamine + 5.7395997
Rescinnamine
ME143600
-
-
-
-
Sorbaldehyde
Sorbaldehyde
ME142521
-
-
-
-
Sorbaldehyde + 1.2041405
Sorbaldehyde
ME142863
-
-
-
-
Succinic anhydride
Succinic anhydride
ME144004
-
-
-
-
Succinylacetone
Succinylacetone
ME143855
-
-
-
-
Sulfaquinoxaline
Sulfaquinoxaline
ME144002
-
-
-
-
Sulfaquinoxaline + 2.6867344
Sulfaquinoxaline
ME144005
-
-
-
-
5-(hydroxymethyl)- 2-Furancarboxylic acid
Sumiki's acid
ME143394
-
-
-
-
Taurine
Taurine
ME143431
-
-
-
-
Tauroursodeoxycholic acid
Tauroursodeoxycholic acid
ME143224
-
-
-
-
TEGASEROD
Tegaserod
ME143533
-
-
-
-
TEGASEROD + 6.9470444
Tegaserod
ME144069
-
-
-
-
Terephthalic acid
Terephthalic acid
ME142496
-
-
-
-
TG(18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16...
TG 18:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:4(7Z,10Z,13Z,16Z)
ME143494
-
-
-
-
Theophylline
Theophylline
ME143976
-
-
-
-
THIODIGLYCOL
Thiodiglycol
ME143613
-
-
-
-
Threonate
Threonic acid
ME143194
-
-
-
-
Thr Glu
Thr-Glu
ME143898
-
-
-
-
Tiglylglycine
Tiglylglycine
ME143201
-
-
-
-
Tranexamic acid
Tranexamic acid
ME142983
-
-
-
-
Tranexamic acid + 4.7597632
Tranexamic acid
ME143378
-
-
-
-
Tranexamic acid + 6.6616163
Tranexamic acid
ME143824
-
-
-
-
Trolamine
Triethanolamine
ME143547
-
-
-
-
Trolamine + 4.853744
Triethanolamine
ME144161
-
-
-
-
Trihydroxycoprostanoic acid
Trihydroxycoprostanoic acid
ME142570
-
-
-
-
Trihydroxycoprostanoic acid + 1.1183053
Trihydroxycoprostanoic acid
ME142680
-
-
-
-
Trimethylamine
Trimethylamine
ME143577
-
-
-
-
Trimethylamine N-oxide
Trimethylamine N-oxide
ME143001
-
-
-
-
Triparanol
Triparanol
ME142985
-
-
-
-
Triparanol + 6.3993936
Triparanol
ME143753
-
-
-
-
Triparanol + 6.6854663
Triparanol
ME143832
-
-
-
-
Trp Arg Gly
Trp-Arg-Gly
ME142825
-
-
-
-
Trp Phe
Trp-Phe
ME144034
-
-
-
-
Trp Trp His
Trp-Trp-His
ME142479
-
-
-
-
Trp Tyr Tyr
Trp-Tyr-Tyr
ME143233
-
-
-
-
Indole-3-ethanol
Tryptophanol
ME143740
-
-
-
-
Indole-3-ethanol + 5.0928
Tryptophanol
ME144040
-
-
-
-
Tylosin
Tylosin
ME143430
-
-
-
-
Tyr Pro
Tyr-Pro
ME142875
-
-
-
-
Tyr Tyr Thr
Tyr-Tyr-Thr
ME142824
-
-
-
-
Uracil
Uracil
ME142970
-
-
-
-
Urea
Urea
ME143018
-
-
-
-
Uridine
Uridine
ME143093
-
-
-
-
Uridine + 3.502514
Uridine
ME144026
-
-
-
-
Urocanic acid
Urocanic acid
ME142984
-
-
-
-
Urocanic acid + 2.3597238
Urocanic acid
ME143116
-
-
-
-
Urocanic acid + 2.7073207
Urocanic acid
ME143146
-
-
-
-
Urocanic acid + 2.8492754
Urocanic acid
ME144019
-
-
-
-
Urocanic acid + 3.2579272
Urocanic acid
ME143230
-
-
-
-
Valine
Valine
ME143807
-
-
-
-
Val Ser Arg
Val-Ser-Arg
ME144090
-
-
-
-
3-Methoxy-4-hydroxyphenylglycol
Vanylglycol
ME143174
-
-
-
-
Vigabatrin
Vigabatrin
ME142904
-
-
-
-
Vigabatrin + 3.9067154
Vigabatrin
ME143274
-
-
-
-
Vigabatrin + 5.8494177
Vigabatrin
ME143635
-
-
-
-
Vigabatrin + 5.9456253
Vigabatrin
ME143647
-
-
-
-
Vigabatrin + 6.240728
Vigabatrin
ME143703
-
-
-
-
Vitamin K2
Vitamin K2
ME144086
-
-
-
-
10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
-
ME142759
-
-
-
-
1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16...
-
ME142626
-
-
-
-
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...
-
ME143330
-
-
-
-
1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-di...
-
ME143079
-
-
-
-
13S-hydroxy-9E,11Z-octadecadienoic acid
-
ME142562
-
-
-
-
16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3
-
ME144087
-
-
-
-
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,...
-
ME143918
-
-
-
-
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...
-
ME143318
-
-
-
-
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...
-
ME143432
-
-
-
-
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...
-
ME143433
-
-
-
-
1alpha,25-dihydroxy-11alpha-[(1R)-oxiranyl]vitamin...
-
ME144014
-
-
-
-
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1al...
-
ME142620
-
-
-
-
1alpha,25-dihydroxy-16,17-didehydrovitamin D_3 / 1...
-
ME142787
-
-
-
-
1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutara...
-
ME143700
-
-
-
-
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...
-
ME142757
-
-
-
-
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...
-
ME143245
-
-
-
-
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...
-
ME143255
-
-
-
-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...
-
ME142610
-
-
-
-
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...
-
ME143948
-
-
-
-
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phen...
-
ME142749
-
-
-
-
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phen...
-
ME143183
-
-
-
-
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...
-
ME143250
-
-
-
-
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...
-
ME144038
-
-
-
-
1-heptadecanoyl, 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl...
-
ME143420
-
-
-
-
1-heptadecanoyl, 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl...
-
ME143437
-
-
-
-
1-Naphthylmethanol
-
ME143000
-
-
-
-
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...
-
ME143320
-
-
-
-
1-Phenyl-2-(diethylamino)-1-propanol
-
ME142673
-
-
-
-
20beta-Dihydroprednisolone
-
ME142841
-
-
-
-
(20S)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydr...
-
ME142729
-
-
-
-
21-Hydroxydydrogesterone
-
ME142480
-
-
-
-
(22E,24E,24bE)-1alpha,25-dihydroxy-26,27-dimethyl-...
-
ME142723
-
-
-
-
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...
-
ME142816
-
-
-
-
(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lact...
-
ME144089
-
-
-
-
(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D...
-
ME142815
-
-
-
-
2,4-Diamino-6,7-dimethoxyquinazoline
-
ME143178
-
-
-
-
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...
-
ME142661
-
-
-
-
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...
-
ME143902
-
-
-
-
2-Amino-2-methyl-1-propanol
-
ME143440
-
-
-
-
2-Amino-2-methyl-1-propanol + 5.273906
-
ME143465
-
-
-
-
2-Amino-3-methyl-1-butanol
-
ME143476
-
-
-
-
2-Amino-3-methyl-1-butanol + 5.85888
-
ME143645
-
-
-
-
2-Amino-3-methyl-1-butanol + 6.4113593
-
ME143759
-
-
-
-
2-Amino-3-methyl-1-butanol + 6.4972343
-
ME144065
-
-
-
-
2-Butanone
-
ME142853
-
-
-
-
3,4-Dehydrolycopene/ 3,4-Didehydrolycopene
-
ME142691
-
-
-
-
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-n...
-
ME143003
-
-
-
-
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-n...
-
ME143031
-
-
-
-
3alpha-HYDROXY-4,4-BISNOR-8,11,13-PODOCARPATRIENE
-
ME143961
-
-
-
-
3-(a-Naphthoxy)lactic acid glucuronide
-
ME143171
-
-
-
-
3-Hydroxyphenytoin
-
ME143192
-
-
-
-
3-Methylamino-1,2-propandiol
-
ME143723
-
-
-
-
(3S,4R,3'R)-4-Hydroxyalloxanthin
-
ME142434
-
-
-
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline
-
ME143838
-
-
-
-
4-Amino-m-cresol
-
ME143198
-
-
-
-
4-Aminophenyl 1-thio-beta-D-glucuronide
-
ME143153
-
-
-
-
4-Aminophenyl 1-thio-beta-D-glucuronide + 2.727820...
-
ME143187
-
-
-
-
4-Aminophenyl 1-thio-beta-D-glucuronide + 2.732670...
-
ME143175
-
-
-
-
4'-Apo-3,4-didehydrolycopene/ (4-Apo-3',4'-didehyd...
-
ME143920
-
-
-
-
(5E,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5E,...
-
ME143919
-
-
-
-
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric aci...
-
ME143211
-
-
-
-
5-Oxopyrrolidinyl sulpiride
-
ME143946
-
-
-
-
7-Desmethylprazosin
-
ME143059
-
-
-
-
8,11,14-nonadecatriynoic acid
-
ME142458
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid
-
ME142547
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 1.1164917
-
ME142686
-
-
-
-
Allocortol
-
ME142731
-
-
-
-
Allocortolone
-
ME144085
-
-
-
-
androst-16-en-3alpha-ol
-
ME143938
-
-
-
-
Arachidonyl lysolecithin
-
ME143715
-
-
-
-
AVOCADENE ACETATE
-
ME143682
-
-
-
-
beta-DIHYDROROTENONE
-
ME144100
-
-
-
-
Bis (2-hydroxypropyl) amine
-
ME143380
-
-
-
-
Bis (2-hydroxypropyl) amine + 5.2499375
-
ME143461
-
-
-
-
Bis (2-hydroxypropyl) amine + 5.4315743
-
ME143512
-
-
-
-
B-ureidoisobutyric acid
-
ME143304
-
-
-
-
CARYLOPHYLLENE OXIDE
-
ME142585
-
-
-
-
cefamandole nafate
-
ME143042
-
-
-
-
Chloramphenicol alcohol
-
ME143202
-
-
-
-
Clozapine-N-Oxide
-
ME142631
-
-
-
-
copper gluconate
-
ME142980
-
-
-
-
DALBERGIONE, 4-METHOXY-4'-HYDROXY-
-
ME143222
-
-
-
-
DEOXYSAPPANONE B TRIMETHYL ETHER
-
ME143582
-
-
-
-
Dermatan
-
ME144133
-
-
-
-
deschlorobenzoyl Indomethacin
-
ME142780
-
-
-
-
Ecgonine-methylester
-
ME143714
-
-
-
-
FENDILINE
-
ME143271
-
-
-
-
FENDILINE + 3.8905377
-
ME143277
-
-
-
-
GABOXADOL
-
ME143875
-
-
-
-
Galabiosylceramide (d18:1/12:0)
-
ME144042
-
-
-
-
Galalpha1-3Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp
-
ME143559
-
-
-
-
GANGALEOIDIN
-
ME142907
-
-
-
-
Gemeprost
-
ME143687
-
-
-
-
Gemeprost + 1.0948418
-
ME143939
-
-
-
-
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))
-
ME143315
-
-
-
-
GPEtn(20:2(5Z,8Z)/18:0)[S]
-
ME143423
-
-
-
-
GPEtn(20:2(5Z,8Z)/18:0)[S] + 5.1701465
-
ME144162
-
-
-
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]
-
ME143427
-
-
-
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.1267176
-
ME143434
-
-
-
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.2687573
-
ME143450
-
-
-
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.3522916
-
ME143479
-
-
-
-
HYDROLYSIS PRODUCT OF BUSSEIN
-
ME142777
-
-
-
-
HYDROLYSIS PRODUCT OF BUSSEIN + 1.4997364
-
ME142947
-
-
-
-
HYDROLYSIS PRODUCT OF BUSSEIN + 1.9920721
-
ME143030
-
-
-
-
L-4-Hydroxy-3-methoxy-a-methylphenylalanine
-
ME143047
-
-
-
-
Lanthionine ketimine
-
ME142418
-
-
-
-
LEVULINIC ACID, 3-BENZYLIDENYL-
-
ME142508
-
-
-
-
L-gamma-Cyano-gamma-aminobutyric acid
-
ME142876
-
-
-
-
L-gamma-Cyano-gamma-aminobutyric acid + 7.1699996
-
ME143868
-
-
-
-
L-Glutamic acid dibutyl ester
-
ME143729
-
-
-
-
L-Glutamic acid n-butyl ester
-
ME142867
-
-
-
-
L-Glutamic acid n-butyl ester + 7.1278462
-
ME143863
-
-
-
-
METHYL ROBUSTONE
-
ME143603
-
-
-
-
Metoprolol acid
-
ME143982
-
-
-
-
N-(2-fluro-ethyl)-eicosanoyl amine
-
ME142774
-
-
-
-
N-Didesethylquinagolide sulfate
-
ME143291
-
-
-
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME143428
-
-
-
-
N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)
-
ME142702
-
-
-
-
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)
-
ME143012
-
-
-
-
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetrae...
-
ME142813
-
-
-
-
Oscillol diglycoside/ Oacillol bisglycoside/ (Osci...
-
ME143416
-
-
-
-
p-Acetamidophenol (Acetaminophen, Tylenol)
-
ME142412
-
-
-
-
Pentazocine cis-alcohol
-
ME143383
-
-
-
-
Pinacidil-N-Oxide
-
ME143876
-
-
-
-
Pizotyline
-
ME143814
-
-
-
-
Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phen...
-
ME142955
-
-
-
-
Propionylglycine methyl ester
-
ME143223
-
-
-
-
QUERCETIN TETRAMETHYL (5,7,3',4') ETHER
-
ME143040
-
-
-
-
Ritodrine glucuronide
-
ME142881
-
-
-
-
Ritodrine glucuronide 2
-
ME143413
-
-
-
-
Tetrahydrothiophene sulfoxide
-
ME143231
-
-
-
-
Triiodothyronine (T3)
-
ME144132
-
-
-
-
TUBAIC ACID
-
ME142885
-
-
-
-
Ubiquinone
-
ME142745
-
-
-
-
Ubiquinone + 1.4034188
-
ME144094
-
-
-
-
VALERYL SALYCILATE
-
ME142756
-
-
-
-
Analysis: HILIC NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
11-deoxy-16,16-dimethyl-PGE2
11-Deoxy-16,16-dimethyl-PGE2
ME144507
-
-
-
-
PYROGALLIN
1,2,3-Trihydroxybenzene
ME145117
-
-
-
-
PYROGALLIN - 2.0559611
1,2,3-Trihydroxybenzene
ME145199
-
-
-
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME144594
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME144478
-
-
-
-
1,3-Dimethyluric acid
1,3-Dimethyluric acid
ME144747
-
-
-
-
1,3-Dimethyluric acid - 1.9602708
1,3-Dimethyluric acid
ME144762
-
-
-
-
13E,17-octadecadienoic acid
13E,17-Octadecadienoic acid
ME144397
-
-
-
-
16-phenyl-tetranor-PGE2
16-Phenyl-tetranor-PGE2
ME144330
-
-
-
-
1,7-Dioxo-5beta-chol-2-en-24-oic Acid
1,7-Dioxo-5beta-chol-2-en-24-oic acid
ME144614
-
-
-
-
1-Methylinosine
1-Methylinosine
ME144834
-
-
-
-
1-Methyluric acid
1-Methyluric acid
ME144835
-
C16359
-
-
1-Methyluric acid - 2.6962035
1-Methyluric acid
ME144856
-
C16359
-
-
1-METHYLXANTHINE
1-Methylxanthine
ME144712
-
-
-
-
2,2-Dimethylsuccinic acid
2,2-Dimethylsuccinic acid
ME144686
-
-
-
-
2,3-Didehydrogibberellin A9
2,3-Didehydrogibberellin A9
ME144214
-
C11866
-
-
2,4-DICHLOROPHENOXYACETIC ACID
2,4-Dichlorophenoxyacetic acid
ME144656
-
-
-
-
2,4-DINITROPHENOL
2,4-Dinitrophenol
ME144341
-
-
-
-
(24R)-1alpha,24,25-trihydroxyvitamin D2 / (24R)-1a...
(24R)-1alpha,24,25-Trihydroxyvitamin D2
ME144457
-
-
-
-
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epox...
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)ether
ME144470
-
-
-
-
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol
27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentol
ME145087
-
-
-
-
2-Deoxyglucose
2-Deoxy-glucose
ME145121
-
-
-
-
a-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME144658
-
-
-
-
a-hydroxyisovalerate - 1.4976814
2-Hydroxy-3-methylbutyric acid
ME144688
-
-
-
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME144699
-
-
-
-
2-Hydroxyethanesulfonate
2-Hydroxyethanesulfonate
ME144833
-
C05123
-
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME144333
-
-
-
-
2-Hydroxyethinylestradiol - 1.9910114
2-Hydroxyethinylestradiol
ME144780
-
-
-
-
2-Hydroxyethinylestradiol - 2.0854297
2-Hydroxyethinylestradiol
ME144814
-
-
-
-
2-Hydroxyethinylestradiol - 2.7639608
2-Hydroxyethinylestradiol
ME144882
-
-
-
-
alpha-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME145110
-
-
-
-
2-methyl-tridecanedioic acid
2-Methyl-tridecanedioic acid
ME144557
-
-
-
-
2-Naphthaleneacetic acid, 6-hydroxy-
2-Octenoic acid
ME144252
-
-
-
-
2-Oxo-3-hydroxy-4-phosphobutanoate
2-Oxo-3-hydroxy-4-phosphobutanoic acid
ME144289
-
C06054
-
-
2-Propylglutaric acid
2-Propylglutaric acid
ME144655
-
-
-
-
2-propyl-tridecanoic acid
2-Propyl-tridecanoic acid
ME144405
-
-
-
-
2-propyl-tridecanoic acid - 1.9500821
2-Propyl-tridecanoic acid
ME144757
-
-
-
-
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME144264
-
C00196
-
-
2,3-Dihydroxybenzoic acid - 0.93983877
2-Pyrocatechuic acid
ME144324
-
C00196
-
-
2,3-Dihydroxybenzoic acid - 1.0236459
2-Pyrocatechuic acid
ME144356
-
C00196
-
-
3,16-DIDEOXYMEXICANOLIDE-3alpha-DIOL
3,16-Dideoxymexicanolide-3alpha-diol
ME144357
-
-
-
-
3,6,8-dodecatrien-1-ol
3,6,8-Dodecatrien-1-ol
ME144577
-
-
-
-
3,9,15-Docosatriynoic acid
3,9,15-Docosatriynoic acid
ME144390
-
-
-
-
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acid
ME145091
-
-
-
-
3beta,4beta-Dihydroxy-5beta-cholan-24-oic Acid
3beta,4beta-Dihydroxy-5beta-cholan-24-oic acid
ME144464
-
-
-
-
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic ...
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acid
ME145168
-
-
-
-
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic ...
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acid
ME145212
-
-
-
-
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic A...
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic acid
ME144549
-
-
-
-
3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acid
3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acid
ME144452
-
-
-
-
3-Dehydroquinic acid
3-Dehydroquinate
ME144901
-
C00944
-
-
3-Dehydroshikimic acid
3-Dehydroshikimate
ME144709
-
-
-
-
3E,5E-tridecadienoic acid
3E,5E-Tridecadienoic acid
ME145098
-
-
-
-
3E-undecenoic acid
3E-Undecenoic acid
ME144574
-
-
-
-
3E-undecenoic acid - 1.2666442
3E-Undecenoic acid
ME144652
-
-
-
-
m-Salicylic acid
3-Hydroxybenzoic acid
ME144650
-
-
-
-
m-Salicylic acid - 0.9360621
3-Hydroxybenzoic acid
ME145064
-
-
-
-
3-Indolepropionic acid
3-Indolepropionic acid
ME144548
-
-
-
-
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate
3-Methoxy-4-hydroxyphenylethyleneglycol sulfate
ME144303
-
-
-
-
3-Methylindole
3-Methylindole
ME144570
-
C08313
-
-
3-Sulfinoalanine
3-Sulfino-alanine
ME144859
-
C00606
-
-
4,7,10,13,16-docosapentaenoic acid
4,7,10,13,16-Docosapentaenoic acid
ME144385
-
-
-
-
4,8-dimethyl-dodecanoic acid
4,8-Dimethyl-dodecanoic acid
ME144434
-
-
-
-
FAMPRIDINE
4-Aminopyridine
ME144854
-
-
-
-
4-dodecynoic acid
4-Dodecynoic acid
ME145166
-
-
-
-
4-Hydroxybenzyl cyanide
4-Hydroxybenzeneacetonitrile
ME144238
-
-
-
-
4-Hydroxybenzenesulfonic acid
4-Hydroxybenzenesulfonic acid
ME144220
-
-
-
-
4-hydroxy pelargonic acid
4-Hydroxypelargonic acid
ME144607
-
-
-
-
4Z,7Z,10Z,13Z-eicosatetraenoic acid
4Z,7Z,10Z,13Z-Eicosatetraenoic acid
ME144392
-
-
-
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME144739
-
-
-
-
5-Acetyl-4-methylthiazole
5-Acetyl-4-methylthiazole
ME144689
-
-
-
-
5beta-Androstan-3alpha-ol-17-one sulfate
5beta-Androstan-3alpha-ol-17-one sulfate
ME144295
-
-
-
-
5C-aglycone
5C-Aglycone
ME144248
-
-
-
-
6alpha-Hydroxycastasterone
6alpha-Hydroxycastasterone
ME144449
-
-
-
-
6-Hydroxynicotinic acid
6-Hydroxynicotinic acid
ME144455
-
C01020
-
-
6-Methoxy-2-naphthylacetic acid
6-Methoxy-2-naphthylaceticacid
ME144701
-
-
-
-
6-Methylmercaptopurine
6-Methylthiopurine
ME144353
-
-
-
-
5-octadecylenic acid
6-Octadecylenic acid
ME144389
-
-
-
-
7-Ethoxycoumarin
7-Ethoxycoumarin
ME144785
-
C11052
-
-
7-Hydroxymethotrexate
7-Hydroxymethotrexate
ME144769
-
-
-
-
7-Hydroxyoctanoic acid
7-Hydroxyoctanoic acid
ME144616
-
-
-
-
7-Hydroxyoctanoic acid - 1.2738136
7-Hydroxyoctanoic acid
ME144654
-
-
-
-
7-palmitoleic acid
7-Palmitoleic acid
ME144411
-
-
-
-
9,12,14-octadecatrienoic acid
9,12,14-Octadecatrienoic acid
ME144402
-
-
-
-
9-lauroleic acid
9-Dodecenoic acid
ME144483
-
-
-
-
9(S)-HODE-d4
9S-HODE
ME144490
-
-
-
-
Acamprosate
Acamprosate
ME144373
-
-
-
-
Acenocoumarol
Acenocoumarol
ME144210
-
-
-
-
Acetoacetic acid
Acetoacetic acid
ME144868
-
C00164
-
-
Acetoin
Acetoin
ME144657
-
C00810
-
-
Acetoin - 1.6489999
Acetoin
ME144734
-
C00810
-
-
Acipimox
Acipimox
ME144829
-
-
-
-
Acrylic acid
Acrylic acid
ME144346
-
-
-
-
Ala Asn Ala
Ala-Asn-Ala
ME144770
-
-
-
-
Ala Asn Asp
Ala-Asn-Asp
ME144715
-
-
-
-
Ala Asn Asp - 1.8246982
Ala-Asn-Asp
ME144740
-
-
-
-
Ala Asn Asp - 1.9234549
Ala-Asn-Asp
ME144749
-
-
-
-
Ala Tyr Lys
Ala-Tyr-Lys
ME144271
-
-
-
-
Allantoin
Allantoin
ME144736
-
C01551
-
-
Allysine
Allysine
ME144808
-
C01475
-
-
Aminosalicylic acid
Aminosalicylic acid
ME145084
-
-
-
-
Anhydrorhodovibrin
Anhydrorhodovibrin
ME145088
-
-
-
-
Arg Met Thr
Arg-Met-Thr
ME144620
-
-
-
-
Arg Phe Arg
Arg-Phe-Arg
ME144947
-
-
-
-
Arg Phe Arg - 5.3890805
Arg-Phe-Arg
ME144954
-
-
-
-
Asn Thr Phe
Asn-Thr-Phe
ME144400
-
-
-
-
Asp Gly Gly
Asp-Gly-Gly
ME144323
-
-
-
-
Asp Pro
Asp-Pro
ME144231
-
-
-
-
Benazeprilat
Benazeprilat
ME144624
-
-
-
-
Benzene
Benzene
ME144354
-
C01407
-
-
Benzene - 3.0397487
Benzene
ME144899
-
C01407
-
-
Benzoic acid
Benzoic acid
ME144352
-
C00180
-
-
Benzoic acid - 1.0892141
Benzoic acid
ME144503
-
C00180
-
-
Benzyl alcohol
Benzyl alcohol
ME144226
-
-
-
-
Benzyl alcohol - 1.1647297
Benzyl alcohol
ME144605
-
-
-
-
3-Amino-3-(4-hydroxyphenyl)propanoate
beta-Tyrosine
ME145011
-
C04368
-
-
Bilirubin
Bilirubin
ME144427
-
C00486
-
-
Biliverdin IX
Biliverdin
ME144684
-
C00500
-
-
(+)-Bornane-2,5-dione
Bornane-2,5-dione
ME144536
-
C03037
-
-
BUFEXAMAC
Bufexamac
ME144836
-
D01272
-
-
Canrenone
Canrenone
ME144320
-
-
-
-
Carboxyprimaquine
Carboxyprimaquine
ME144819
-
-
-
-
Catalpol
Catalpol
ME144801
-
C09773
-
-
Pyrocatechol sulfate
Catechol sulfate
ME144196
-
-
-
-
Chlorogenic acid
Chlorogenic acid
ME144775
-
C00852
-
-
Chlorogenic acid - 2.1337886
Chlorogenic acid
ME144820
-
C00852
-
-
Cilastatin
Cilastatin
ME144988
-
C01675
-
-
Creatinine
Creatinine
ME144912
-
C00791
-
-
Cucurbitacin E
Cucurbitacin E
ME144636
-
C08797
-
-
Cys Tyr Met
Cys-Tyr-Met
ME144319
-
-
-
-
Desmosine
Desmosine
ME144948
-
-
-
-
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...
DG 16:1_17:2
ME144419
-
-
-
-
Diacetyl
Diacetyl
ME144350
-
C00741
-
-
Diacetyl - 1.6494641
Diacetyl
ME144733
-
C00741
-
-
dihydroxyacetone phosphate (DHAP)
Dihydroxyacetone phosphate
ME144291
-
C00111
-
-
D-Leucic acid
D-Leucic acid
ME144659
-
C03264
-
-
D-Urobilinogen
D-Urobilinogen
ME144516
-
C05791
-
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME144989
-
C05608
-
-
Ecgonine
Ecgonine
ME145046
-
-
-
-
Embelin
Embelin
ME144347
-
-
-
-
Embelin - 1.0988984
Embelin
ME145104
-
-
-
-
Embelin - 1.1058253
Embelin
ME144531
-
-
-
-
Embelin - 1.9662282
Embelin
ME144763
-
-
-
-
Embelin - 5.080299
Embelin
ME144941
-
-
-
-
Fenoprofen
Fenoprofen
ME144192
-
-
-
-
Fluorescein
Fluorescein
ME144649
-
-
-
-
Fumaric acid
Fumaric acid
ME144345
-
C00122
-
-
Gemfibrozil
Gemfibrozil
ME144371
-
-
-
-
Gemfibrozil - 1.1654488
Gemfibrozil
ME144630
-
-
-
-
Gentianine
Gentianine
ME145173
-
C06525
-
-
Gibberellin A9
Gibberellin A9
ME145120
-
C11863
-
-
Glucoheptonic acid
Glucoheptonic acid
ME144729
-
-
-
-
D-Glucose
Glucose
ME144661
-
C00031
-
-
D-Glucose - 2.5938544
Glucose
ME144848
-
C00031
-
-
Glu Glu Arg
Glu-Glu-Arg
ME144562
-
-
-
-
Glu Gly Asn
Glu-Gly-Asn
ME144776
-
-
-
-
Glutaconic acid
Glutaconic acid
ME144351
-
C02214
-
-
Glutaconic acid - 2.0343776
Glutaconic acid
ME144807
-
C02214
-
-
Glutaral (Glutaraldehyde)
Glutaral
ME144609
-
C12518
-
-
Glutaral (Glutaraldehyde) - 1.4571375
Glutaral
ME144683
-
C12518
-
-
Glutaral (Glutaraldehyde) - 1.526691
Glutaral
ME144703
-
C12518
-
-
Glu Tyr Trp
Glu-Tyr-Trp
ME144665
-
-
-
-
Glycolaldehyde
Glycolaldehyde
ME144698
-
C00266
-
-
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME144927
-
-
-
-
Glycoursodeoxycholic acid - 4.818241
Glycoursodeoxycholic acid
ME144928
-
-
-
-
Gly His
Gly-His
ME144731
-
-
-
-
Gly Thr Met
Gly-Thr-Met
ME145000
-
-
-
-
griseorhodin A
Griseorhodin A
ME144874
-
-
-
-
Guaiacol
Guaiacol
ME144208
-
C01502
-
-
Hexadecanedioic acid
Hexadecanedioic acid
ME144524
-
C08260
-
-
Hippuric acid
Hippuric acid
ME144897
-
C01586
-
-
Hydralazine
Hydralazine
ME144662
-
C07040
-
-
Hypoxanthine
Hypoxanthine
ME144852
-
C00262
-
-
Hypoxanthine - 2.8624513
Hypoxanthine
ME144890
-
C00262
-
-
Imidazolone
Imidazolone
ME144261
-
C06195
-
-
Imidazolone - 0.9515435
Imidazolone
ME144338
-
C06195
-
-
Imidazolone - 1.1727113
Imidazolone
ME144612
-
C06195
-
-
Imidazolone - 1.3811468
Imidazolone
ME145108
-
C06195
-
-
Imidazolone - 2.0479496
Imidazolone
ME145138
-
C06195
-
-
Indoxylsulfuric acid
Indoxyl sulfate
ME144240
-
-
-
-
Inosine
Inosine
ME144889
-
C00294
-
-
Isoacitretin
Isoacitretin
ME144325
-
-
-
-
Isoacitretin - 1.110628
Isoacitretin
ME144627
-
-
-
-
Isoacitretin - 1.9933776
Isoacitretin
ME144779
-
-
-
-
Isoacitretin - 2.0841198
Isoacitretin
ME144813
-
-
-
-
Isoacitretin - 2.7621934
Isoacitretin
ME144865
-
-
-
-
ISOEUGENITOL
Isoeugenitol
ME144870
-
-
-
-
2-oxoisocaproic acid
Ketoleucine
ME144837
-
-
-
-
Ketorolac
Ketorolac
ME144180
-
C07062
-
-
KINETIN
Kinetin
ME144244
-
C08272
-
-
KOBUSONE
Kobusone
ME144534
-
-
-
-
D-Phenyllactic acid
L-3-Phenyllactic acid
ME144588
-
-
-
-
Lactaldehyde
Lactaldehyde
ME144664
-
C00424
-
-
Lactaldehyde - 1.8333268
Lactaldehyde
ME144743
-
C00424
-
-
Lactaldehyde - 1.9453633
Lactaldehyde
ME144751
-
C00424
-
-
Lactic acid
Lactic acid
ME144872
-
C00186
-
-
Lecanoric acid
Lecanoric acid
ME144840
-
C02868
-
-
Leucine
Leucine
ME145005
-
C00123
-
-
Leu Glu Gln
Leu-Glu-Gln
ME144506
-
-
-
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME144595
-
C07271
-
-
Sulfolithocholic acid
Lithocholic acid sulfate
ME144298
-
-
-
-
Lorazepam
Lorazepam
ME144841
-
C07082
-
-
Lorazepam - 2.7057493
Lorazepam
ME145178
-
C07082
-
-
Lorazepam - 2.7879822
Lorazepam
ME144876
-
C07082
-
-
GPEtn(18:0/0:0)
LPE 18:0/0:0
ME145040
-
-
-
-
Lys Cys His
Lys-Cys-His
ME144332
-
-
-
-
Lys Cys His - 1.0354904
Lys-Cys-His
ME144395
-
-
-
-
Methionine
Methionine
ME145016
-
C00073
-
-
Met His Lys
Met-His-Lys
ME144340
-
-
-
-
Methyl jasmonate
Methyl jasmonate
ME144579
-
C11512
-
-
Murocholic acid
Murideoxycholic acid
ME144635
-
-
-
-
Murocholic acid - 1.3214716
Murideoxycholic acid
ME145197
-
-
-
-
N-Acetylarylamine
N-Acetylarylamine
ME144898
-
C02558
-
-
Nedocromil
Nedocromil
ME145133
-
C07255
-
-
NITRENDIPINE
Nitrendipine
ME144879
-
C07713
-
-
Nitrofurazone
Nitrofurazone
ME144645
-
C08042
-
-
Norbixin
Norbixin
ME145061
-
-
-
-
O-Desmethylnaproxen
O-Desmethylnaproxen
ME144241
-
-
-
-
O-Desmethylnaproxen - 1.3940506
O-Desmethylnaproxen
ME144672
-
-
-
-
OLEANDRIN
Oleandrin
ME144377
-
-
-
-
OSTHOL
Osthole
ME144216
-
C09280
-
-
Glutathione, oxidized
Oxidized glutathione
ME145125
-
C00127
-
-
Oxolan-3-one
Oxolan-3-one
ME145224
-
-
-
-
Oxipurinol
Oxypurinol
ME144746
-
C07599
-
-
Pantothenic Acid
Pantothenic acid
ME144845
-
-
-
-
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME144918
-
-
-
-
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]
PE 18:0/18:3(9Z,12Z,15Z)
ME144920
-
-
-
-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]
PE 18:0/20:4(5Z,8Z,11Z,14Z)
ME144917
-
-
-
-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 5.0507293
PE 18:0/20:4(5Z,8Z,11Z,14Z)*
ME144936
-
-
-
-
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)
ME144933
-
-
-
-
PEUCEDANIN
Peucedanin
ME144255
-
-
-
-
GPGro(17:0/20:4(5Z,8Z,11Z,14Z))
PG 17:0/20:4(5Z,8Z,11Z,14Z)
ME144938
-
-
-
-
PGJ3
PGJ3
ME144634
-
-
-
-
Phe Arg Ser
Phe-Arg-Ser
ME144641
-
-
-
-
Phenol
Phenol
ME144222
-
C00146
-
-
Phenol - 1.1552136
Phenol
ME145101
-
C00146
-
-
Phenol - 1.9647963
Phenol
ME144756
-
C00146
-
-
p-Hydroxyfelbamate
p-Hydroxyfelbamate
ME144247
-
-
-
-
Pirenzepine
Pirenzepine
ME144189
-
C07508
-
-
Pregnenolone sulfate
Pregnenolone sulfate
ME144269
-
-
-
-
PRISTIMEROL
Pristimerol
ME144254
-
-
-
-
Procarbazine
Procarbazine
ME144369
-
C07402
-
-
Procarbazine - 1.1042323
Procarbazine
ME144525
-
C07402
-
-
Proline
Proline
ME145023
-
C00148
-
-
Pro Lys Pro
Pro-Lys-Pro
ME144580
-
-
-
-
GPSer(18:0/20:4(5Z,8Z,11Z,14Z))
PS 18:0/20:4(5Z,8Z,11Z,14Z)
ME144937
-
-
-
-
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME144935
-
-
-
-
Pseudouridine
Pseudouridine
ME144828
-
C02067
-
-
Purine
Purine
ME144258
-
C00465
-
-
Purine - 0.95897514
Purine
ME144336
-
C00465
-
-
Purine - 1.9813408
Purine
ME145118
-
C00465
-
-
PURPUROGALLIN
Purpurogallin
ME144809
-
C09964
-
-
Pyrocatechol
Pyrocatechol
ME144191
-
C00090
-
-
Pyrocatechol - 0.8337931
Pyrocatechol
ME144268
-
C00090
-
-
Pyrocatechol - 0.9244228
Pyrocatechol
ME144326
-
C00090
-
-
Pyroglutamic acid
Pyroglutamic acid
ME145007
-
C01879
-
-
Pyrrole-2-carboxylic acid
Pyrrole-2-carboxylic acid
ME144720
-
C05942
-
-
Methylglyoxal
Pyruvaldehyde
ME144877
-
C00546
-
-
Pyruvic acid
Pyruvic acid
ME144903
-
C00022
-
-
Quassin
Quassin
ME144465
-
C08778
-
-
Quinaldic acid
Quinaldic acid
ME144573
-
C06325
-
-
3,4,5-Trihydroxystilbene
Resveratrol
ME144197
-
C03582
-
-
Saccharin
Saccharin
ME144328
-
C12284
-
-
Salicyluric acid
Salicyluric acid
ME144817
-
C07588
-
-
Selenocysteine
Selenocysteine
ME145201
-
C02432
-
-
Ser Arg Ala
Ser-Arg-Ala
ME144902
-
-
-
-
Ser Asp
Ser-Asp
ME144761
-
-
-
-
Ser Asp Gly
Ser-Asp-Gly
ME144996
-
-
-
-
Ser Trp His
Ser-Trp-His
ME145176
-
-
-
-
Spheroidene
Spheroidene
ME145086
-
-
-
-
Stearic acid
Stearic acid
ME144383
-
C01530
-
-
Stearic acid - 1.9493024
Stearic acid
ME144758
-
C01530
-
-
Succinic acid
Succinic acid
ME144744
-
C00042
-
-
Succinic acid - 1.9424812
Succinic acid
ME144752
-
C00042
-
-
Succinic anhydride
Succinic anhydride
ME144742
-
-
-
-
4,6-dioxoheptanoic acid
Succinylacetone
ME145115
-
-
-
-
Sulfaphenazole
Sulfaphenazole
ME144366
-
D01954
-
-
Sulfate
Sulfate
ME144281
-
C00059
-
-
Sulfate - 0.9362061
Sulfate
ME144316
-
C00059
-
-
Sulfate - 1.053629
Sulfate
ME144433
-
C00059
-
-
Sulfisoxazole
Sulfisoxazole
ME145004
-
-
-
-
Sulfisoxazole - 5.7662735
Sulfisoxazole
ME145009
-
-
-
-
Sulfolithocholylglycine
Sulfoglycolithocholic acid
ME144894
-
C11301
-
-
Taurine
Taurine
ME145147
-
C00245
-
-
Dihydroquercetin
Taxifolin
ME144891
-
C01617
-
-
Teasterone
Teasterone
ME144423
-
-
-
-
Terephthalic acid
Terephthalic acid
ME144209
-
C06337
-
-
Testosterone sulfate
Testosterone sulfate
ME144202
-
C00535
-
-
Testosterone sulfate - 0.864816
Testosterone sulfate
ME144285
-
C00535
-
-
Testosterone sulfate - 1.0488886
Testosterone sulfate
ME144417
-
C00535
-
-
Traumatic acid
Traumatic acid
ME144584
-
C16308
-
-
Trihydroxycoprostanoic acid
Trihydroxycoprostanoic acid
ME144460
-
-
-
-
Trp Gln Gln
Trp-Gln-Gln
ME144539
-
-
-
-
Trp His Glu
Trp-His-Glu
ME144618
-
-
-
-
Trp His Gly
Trp-His-Gly
ME144811
-
-
-
-
Tuberonic acid
Tuberonic acid
ME144600
-
-
-
-
Tyr Leu Arg
Tyr-Leu-Arg
ME144910
-
-
-
-
Uracil
Uracil
ME144722
-
C00106
-
-
Uric acid
Uric acid
ME144906
-
C00366
-
-
Uridine
Uridine
ME144723
-
C00299
-
-
Urocanic acid
Urocanic acid
ME144855
-
C00785
-
-
Valine
Valine
ME145018
-
C00183
-
-
Xanthine
Xanthine
ME144754
-
C00385
-
-
10-hydroxy-2E,8Z-Decadiene-4,6-diynoic acid
-
ME144631
-
-
-
-
1,3-DIDEACETYLKHIVORIN
-
ME144533
-
-
-
-
13-Hydroxypergolide
-
ME144553
-
-
-
-
13S-hydroxy-9E,11Z-octadecadienoic acid
-
ME144467
-
-
-
-
17a-Ethynylestradiol 2-glucuronide
-
ME144274
-
-
-
-
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...
-
ME144914
-
-
-
-
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate
-
ME144305
-
-
-
-
1alpha,18,25-trihydroxyvitamin D_3 / 1alpha,18,25-...
-
ME144436
-
-
-
-
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1al...
-
ME144437
-
-
-
-
1alpha,25-dihydroxy-2beta-butoxyvitamin D3 / 1alph...
-
ME144477
-
-
-
-
1alpha,2beta,25-trihydroxy-19-norvitamin D3 / 1alp...
-
ME145083
-
-
-
-
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuter...
-
ME144522
-
-
-
-
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...
-
ME144932
-
-
-
-
1H-Imidazole-4-carboxamide, 5-[3-(hydroxymethyl)-3...
-
ME144653
-
-
-
-
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...
-
ME144915
-
-
-
-
(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...
-
ME144360
-
-
-
-
(22R)-1alpha,22,25-trihydroxy-24a,24b-dihomo-20-ep...
-
ME144545
-
-
-
-
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic a...
-
ME144970
-
-
-
-
2,3-Naphthalenedicarboxylic acid
-
ME145179
-
-
-
-
2,3-Naphthalenedicarboxylic acid - 2.7644236
-
ME145181
-
-
-
-
24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3
-
ME145209
-
-
-
-
(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / (24...
-
ME144510
-
-
-
-
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...
-
ME145089
-
-
-
-
26,27-diethyl-1alpha,25-dihydroxy-20,21-methano-23...
-
ME144496
-
-
-
-
2-amino-4'-hydroxy-Propiophenone
-
ME144991
-
-
-
-
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene ...
-
ME144931
-
-
-
-
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene ...
-
ME144943
-
-
-
-
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Meta...
-
ME144596
-
-
-
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid
-
ME144591
-
-
-
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid...
-
ME144651
-
-
-
-
2-Hydroxyimipramine glucuronide
-
ME144446
-
-
-
-
2'-METHOXYFORMONETIN
-
ME145050
-
-
-
-
3-(a-Naphthoxy)lactic acid
-
ME145182
-
-
-
-
4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acet...
-
ME144535
-
-
-
-
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl...
-
ME145119
-
-
-
-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...
-
ME144256
-
-
-
-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...
-
ME145170
-
-
-
-
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-S...
-
ME145143
-
-
-
-
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-S...
-
ME145144
-
-
-
-
(5E,10E)-19-(3-carboxylpropyl)vitamin D3 / (5E,10E...
-
ME144450
-
-
-
-
5-FLUOROINDOLE-2-CARBOXYLIC ACID
-
ME144764
-
-
-
-
6alpha-METHYLPREDNISOLONE ACETATE
-
ME144376
-
-
-
-
(6RS,24R)-24,25-dihydroxyvitamin D3 6,19-sulfur di...
-
ME144257
-
-
-
-
7-Deoxyadriamycinone
-
ME145135
-
-
-
-
7-Hydroxyfluphenazine glucuronide
-
ME144315
-
-
-
-
7-hydroxy Tetranor Iloprost
-
ME144462
-
-
-
-
ANGOLENSIC ACID, METHYL ESTER
-
ME144342
-
-
-
-
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl-
-
ME144590
-
-
-
-
Bifemelane (M4)
-
ME144235
-
-
-
-
BMPN-benzoic acid
-
ME144771
-
-
-
-
BMPN-benzoic acid - 2.1350398
-
ME144821
-
-
-
-
Bumetanide M1
-
ME144615
-
-
-
-
B-ureidoisobutyric acid
-
ME144940
-
-
-
-
Corrinoid
-
ME145171
-
C06021
-
-
D1-2-Hydroxymethylethisterone
-
ME144783
-
-
-
-
D1-2-Hydroxymethylethisterone - 2.08192
-
ME144815
-
-
-
-
D1-2-Hydroxymethylethisterone - 2.7633626
-
ME144880
-
-
-
-
Dehydronifedipine
-
ME144726
-
-
-
-
Demethylclomipramine
-
ME144227
-
-
-
-
deschlorobenzoyl Indomethacin
-
ME144900
-
-
-
-
DIHYDROSPATHELIACHROMENE
-
ME144206
-
-
-
-
DIMETHYLCAFFEIC ACID
-
ME144787
-
-
-
-
EDOXUDINE
-
ME144183
-
-
-
-
ESTRONE HEMISUCCINATE
-
ME144420
-
-
-
-
ethotoin
-
ME144981
-
-
-
-
Galalpha1-3Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp
-
ME144307
-
-
-
-
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))
-
ME144913
-
-
-
-
HYDROLYSIS PRODUCT OF BUSSEIN
-
ME144610
-
-
-
-
HYDROLYSIS PRODUCT OF BUSSEIN - 2.0391343
-
ME144781
-
-
-
-
Isoquinoline N-oxide
-
ME144544
-
-
-
-
KHAYASIN
-
ME144381
-
-
-
-
KINETIN RIBOSIDE
-
ME145206
-
-
-
-
Lactosylceramide (d18:1/12:0)
-
ME144934
-
C01290
-
-
L-Aspartic acid b-semialdehyde
-
ME144806
-
-
-
-
MERBROMIN
-
ME144969
-
-
-
-
Mono-N-depropylprobenecid
-
ME144798
-
-
-
-
N- (2-AMINOETHYL)-4-CHLOROBENZAMIDE (RO-16-6491)
-
ME144459
-
-
-
-
N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfoox...
-
ME144953
-
-
-
-
N-Acetyl-5-aminosalicylic acid
-
ME144907
-
-
-
-
N-Acetyl-5-hydroxysulfapyridine
-
ME144724
-
-
-
-
Naltrexone-3-glucuronide
-
ME145114
-
-
-
-
N-Dealkylzuclopenthixol sulfoxide
-
ME144789
-
-
-
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME144939
-
-
-
-
N-n-Hexanoylglycine methyl ester
-
ME144682
-
-
-
-
OBTUSAQUINONE
-
ME144179
-
-
-
-
Parahydroxyphenylacetic acid
-
ME144604
-
-
-
-
Parahydroxyphenylacetic acid - 0.7263352
-
ME145053
-
-
-
-
P-Hydroxydesmethylgliquidone
-
ME144519
-
-
-
-
Pregnanolone sulfate
-
ME144292
-
-
-
-
sodium chlorovulone III
-
ME144451
-
-
-
-
Sodium tetradecyl sulfate
-
ME144251
-
-
-
-
Sulfadoxine suflate
-
ME144663
-
-
-
-
URSINIC ACID
-
ME144794
-
-
-
-
VD 2656
-
ME144908
-
-
-
-
ZAPRINAST
-
ME144249
-
-
-
-
Analysis: Reversed phase POSITIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
3-Hydroxycapric acid
10-Hydroxydecanoic acid
ME145929
-
-
-
-
11-amino-undecanoic acid
11-Aminoundecanoic acid
ME145644
-
-
-
-
11-amino-undecanoic acid + 2.2291453
11-Aminoundecanoic acid
ME147857
-
-
-
-
11-deoxy-PGE2
11-Deoxy-PGE2
ME146557
-
-
-
-
(Z)-N-(2-hydroxyethyl)icos-11-enamide
11Z-Eicosaenoyl-EA
ME147381
-
-
-
-
12,13-dihydroxy-11-methoxy-9-octadecenoic acid
12,13-Dihydroxy-11-methoxy-9-octadecenoic acid
ME146755
-
-
-
-
Hydroxyhydroquinone
1,2,4-Trihydroxybenzene
ME145480
-
-
-
-
12-amino-dodecanoic acid
12-Aminododecanoic acid
ME146186
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME146975
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 11...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME147023
-
-
-
-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 11...
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acid
ME147973
-
-
-
-
12-oxo-10Z-dodecenoic acid
12-Oxo-10Z-dodecenoic acid
ME146416
-
-
-
-
12-oxo-9-octadecynoic acid
12-Oxo-9-octadecynoic acid
ME146928
-
-
-
-
12S-hydroxy-16-heptadecynoic acid
12S-Hydroxy-16-heptadecynoic acid
ME148028
-
-
-
-
12Z,15Z-octadecadienoic acid
12Z,15Z-Octadecadienoic acid
ME147440
-
-
-
-
1,3-Propanediamine
1,3-Diaminopropane
ME145749
-
-
-
-
13E,17-octadecadienoic acid
13E,17-Octadecadienoic acid
ME147053
-
-
-
-
13E,17-octadecadienoic acid + 12.058383
13E,17-Octadecadienoic acid
ME147070
-
-
-
-
13E,17-octadecadienoic acid + 12.097107
13E,17-Octadecadienoic acid
ME147080
-
-
-
-
13E,17-octadecadienoic acid + 12.271337
13E,17-Octadecadienoic acid
ME147154
-
-
-
-
13E,17-octadecadienoic acid + 12.398164
13E,17-Octadecadienoic acid
ME147202
-
-
-
-
13E,17-octadecadienoic acid + 12.724177
13E,17-Octadecadienoic acid
ME147351
-
-
-
-
13E,17-octadecadienoic acid + 13.15102
13E,17-Octadecadienoic acid
ME147390
-
-
-
-
13E,17-octadecadienoic acid + 13.92513
13E,17-Octadecadienoic acid
ME147499
-
-
-
-
13E,17-octadecadienoic acid + 14.149445
13E,17-Octadecadienoic acid
ME147523
-
-
-
-
(+/-)14,15-EpETrE
14,15-EpETrE
ME147097
-
-
-
-
(+/-)14,15-EpETrE + 12.448101
14,15-EpETrE
ME147200
-
-
-
-
14-methyl-8E-hexadecenoic acid
14-Methyl-8E-hexadecenoic acid
ME147977
-
-
-
-
15-hydroxy-pentadecanoic acid
15-Hydroxy-pentadecanoic acid
ME147283
-
-
-
-
15-methyl-15S-PGD2
15-Methyl-15S-PGD2
ME146605
-
-
-
-
15-methyl-15S-PGD2 + 10.247615
15-Methyl-15S-PGD2
ME146617
-
-
-
-
15-methyl-15S-PGD2 + 10.27949
15-Methyl-15S-PGD2
ME146622
-
-
-
-
15-methyl-15S-PGD2 + 10.482876
15-Methyl-15S-PGD2
ME146663
-
-
-
-
15-methyl-15S-PGD2 + 10.602501
15-Methyl-15S-PGD2
ME146678
-
-
-
-
15(R)-HEDE
15R-HEDE
ME147509
-
-
-
-
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid
16-HpOTrE
ME147072
-
-
-
-
18-oxo-nonadecanoic acid
18-Oxononadecanoic acid
ME147413
-
-
-
-
18-oxo-nonadecanoic acid + 13.62461
18-Oxononadecanoic acid
ME147446
-
-
-
-
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2
1a,1b-Dihomo-15-deoxy-delta-12,14-PGD2
ME147589
-
-
-
-
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 + 14.310595
1a,1b-Dihomo-15-deoxy-delta-12,14-PGD2
ME147937
-
-
-
-
1-Aminocyclopropane-1-carboxylic acid
1-Aminocyclopropanecarboxylic acid
ME145452
-
-
-
-
1-Aminocyclopropane-1-carboxylic acid + 1.0320593
1-Aminocyclopropanecarboxylic acid
ME145566
-
-
-
-
1-Aminocyclohexanecarboxylic acid
1-Azaniumylcyclohexane-1-carboxylate
ME145943
-
-
-
-
1-Hexadecylamine
1-Hexadecylamine
ME146313
-
-
-
-
1-Hexadecylamine + 10.400761
1-Hexadecylamine
ME146629
-
-
-
-
1-Hexadecylamine + 10.868318
1-Hexadecylamine
ME147969
-
-
-
-
1-Hydroxytetrahydrocannabinol
1-Hydroxytetrahydrocannabinol
ME147123
-
-
-
-
1-Methyladenosine
1-Methyladenosine
ME147686
-
-
-
-
1-Methyladenosine + 1.763941
1-Methyladenosine
ME147851
-
-
-
-
1-Methylguanine
1-Methylguanine
ME147854
-
-
-
-
1-Methylinosine
1-Methylinosine
ME145716
-
-
-
-
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid
(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acid
ME146938
-
-
-
-
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid
(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acid
ME147415
-
-
-
-
20alpha-Dihydroprednisolone
20alpha-dihydroprednisolone
ME146166
-
-
-
-
20-oxo-heneicosanoic acid
20-Oxoheneicosanoic acid
ME147595
-
-
-
-
20-oxo-heneicosanoic acid + 14.685812
20-Oxoheneicosanoic acid
ME147625
-
-
-
-
2,3-Butanediol
2,3-Butanediol
ME145880
-
-
-
-
25-hydroxy-26,27-dimethylvitamin D3 / 25-hydroxy-2...
25-Hydroxy-26,27-dimethylvitamin D3
ME147629
-
-
-
-
2,6-Xylidine
2,6-Dimethylaniline
ME147703
-
-
-
-
2-amino-8-oxo-9,10-epoxy-decanoic acid
2-Amino-8-oxo-9,10-epoxy-decanoic acid
ME145622
-
-
-
-
2-Aminopropanol
2-Aminopropanol
ME145532
-
-
-
-
2-Aminopropanol + 0.9913629
2-Aminopropanol
ME147828
-
-
-
-
2-amino-tetradecanoic acid
2-Aminotetradecanoic acid
ME146440
-
-
-
-
2-amino-tetradecanoic acid + 10.134841
2-Aminotetradecanoic acid
ME146611
-
-
-
-
2-amino-tetradecanoic acid + 12.543868
2-Aminotetradecanoic acid
ME147226
-
-
-
-
2-amino-tetradecanoic acid + 9.669059
2-Aminotetradecanoic acid
ME146490
-
-
-
-
(2-Chlorophenyl)diphenylmethane
(2-Chlorophenyl)diphenylmethane
ME146322
-
-
-
-
2-decylenic acid
2-Decenoic acid
ME146365
-
-
-
-
2-decylenic acid + 13.459225
2-Decenoic acid
ME147419
-
-
-
-
2-Deoxyglucose
2-Deoxy-glucose
ME145552
-
-
-
-
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid
2E,5Z,8Z,11Z,14Z-Eicosapentaenoic acid
ME147424
-
-
-
-
2-glyceryl-PGE2
2-Glyceryl-PGE2
ME147160
-
-
-
-
2-glyceryl-PGE2 + 12.472144
2-Glyceryl-PGE2
ME147189
-
-
-
-
2-hexyl-2-decenoic acid
2-Hexyl-2-decenoic acid
ME147755
-
-
-
-
2-Hydroxyadipic acid
2-Hydroxyadipic acid
ME145483
-
-
-
-
2-Hydroxyadipic acid + 3.352259
2-Hydroxyadipic acid
ME145795
-
-
-
-
2-hydroxypyridine
2-Hydroxypyridine
ME145647
-
-
-
-
2-ISOPROPYL-3-METHOXYCINNAMIC ACID
2-Isopropyl-3-methoxycinnamic acid
ME146378
-
-
-
-
2-Methyl-3-ketovaleric acid
2-Methyl-3-ketovaleric acid
ME147996
-
-
-
-
2-Methylbutyrylglycine
2-Methylbutyrylglycine
ME145725
-
-
-
-
(E)-2-Methylglutaconic acid
2-Methylglutaconic acid
ME145484
-
-
-
-
(E)-2-Methylglutaconic acid + 1.4940475
2-Methylglutaconic acid
ME145680
-
-
-
-
2-Octenedioic acid
2-Octenedioic acid
ME145827
-
-
-
-
2-Octenedioic acid + 5.5574355
2-Octenedioic acid
ME146057
-
-
-
-
2-octynoic acid
2-Octynoic acid
ME146131
-
-
-
-
2-Propylglutaric acid
2-Propylglutaric acid
ME145957
-
-
-
-
2-propyl-tridecanoic acid
2-Propyl-tridecanoic acid
ME147443
-
-
-
-
2-Pyrrolidinone
2-Pyrrolidinone
ME145637
-
-
-
-
2-Pyrrolidinone + 1.6357447
2-Pyrrolidinone
ME145685
-
-
-
-
2-Pyrrolidinone + 2.522629
2-Pyrrolidinone
ME145702
-
-
-
-
2-Pyrrolidinone + 2.8083608
2-Pyrrolidinone
ME145715
-
-
-
-
2R-aminoheptanoic acid
2R-Aminoheptanoic acid
ME145554
-
-
-
-
2R-aminohexadecanoic acid
2R-Aminohexadecanoic acid
ME146957
-
-
-
-
2R-aminohexadecanoic acid + 13.288761
2R-Aminohexadecanoic acid
ME147385
-
-
-
-
2R-aminohexadecanoic acid + 13.590611
2R-Aminohexadecanoic acid
ME147402
-
-
-
-
3-(2,5-dimethoxyphenyl)propanoic acid
3-(2,5-Dimethoxyphenyl)propanoicacid
ME146078
-
-
-
-
3-(2,5-dimethoxyphenyl)propanoic acid + 6.3427806
3-(2,5-Dimethoxyphenyl)propanoicacid
ME146137
-
-
-
-
3,4,5-Trimethoxycinnamic acid
3,4,5-Trimethoxycinnamic acid
ME146030
-
-
-
-
3,4-dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9...
3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione
ME146534
-
-
-
-
DL-3,4-Dihydroxyphenylglycol
3,4-Dihydroxyphenylglycol
ME147838
-
-
-
-
3,4-Methylenedioxymethamphetamine (MDMA)
3,4-Methylenedioxymethamphetamine
ME145817
-
-
-
-
3,5-hexadienoic acid
3,5-Hexadienoic acid
ME146333
-
-
-
-
3,5-hexadienoic acid + 8.570685
3,5-Hexadienoic acid
ME146338
-
-
-
-
3,5-hexadienoic acid + 8.683599
3,5-Hexadienoic acid
ME146347
-
-
-
-
3,6,8-dodecatrien-1-ol
3,6,8-Dodecatrien-1-ol
ME146215
-
-
-
-
3,6-octadecadiynoic acid
3,6-Octadecadiynoic acid
ME147386
-
-
-
-
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-chola...
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic acid
ME146075
-
-
-
-
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-ch...
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acid
ME147983
-
-
-
-
3-Amino-2-piperidone
3-Amino-2-piperidone
ME145753
-
-
-
-
3-Aminopropanal
3-Aminopropionaldehyde
ME145495
-
-
-
-
3-Aminoquinoline
3-Aminoquinoline
ME146037
-
-
-
-
3-butyrl propionic acid
3-Butyrl propionic acid
ME145858
-
-
-
-
3E,13Z-octadecadien-1-ol
3E,13Z-Octadecadien-1-ol
ME147624
-
-
-
-
3E,5E-tridecadienoic acid
3E,5E-Tridecadienoic acid
ME146318
-
-
-
-
3E,5E-tridecadienoic acid + 10.800648
3E,5E-Tridecadienoic acid
ME146719
-
-
-
-
3E,5E-tridecadienoic acid + 13.773804
3E,5E-Tridecadienoic acid
ME148052
-
-
-
-
3E-undecenoic acid
3E-Undecenoic acid
ME146661
-
-
-
-
3-Hexenedioic acid
3-Hexenedioic acid
ME145643
-
-
-
-
3-Indolepropionic acid
3-Indolepropionic acid
ME146170
-
-
-
-
3-keto palmitic acid
3-Ketopalmitic acid
ME146579
-
-
-
-
3-keto palmitic acid + 10.811782
3-Ketopalmitic acid
ME146710
-
-
-
-
3-keto palmitic acid + 10.880233
3-Ketopalmitic acid
ME146741
-
-
-
-
3-keto palmitic acid + 11.058536
3-Ketopalmitic acid
ME146771
-
-
-
-
3-keto palmitic acid + 11.088067
3-Ketopalmitic acid
ME146799
-
-
-
-
3-keto palmitic acid + 11.44697
3-Ketopalmitic acid
ME146918
-
-
-
-
3-keto palmitic acid + 11.591741
3-Ketopalmitic acid
ME146973
-
-
-
-
3-methyl-hexanoic acid
3-Methylcaproic acid
ME145969
-
-
-
-
N(pai)-Methyl-L-histidine
3-Methylhistidine
ME145444
-
-
-
-
3-Methylsuberic acid
3-Methylsuberic acid
ME146032
-
-
-
-
3-methyl-tetradecanedioic acid
3-Methyl-tetradecanedioic acid
ME147056
-
-
-
-
3-Methylxanthine
3-Methylxanthine
ME145720
-
-
-
-
3-Methylxanthine + 2.9964917
3-Methylxanthine
ME145727
-
-
-
-
3-oxo-4-pentenoic acid
3-Oxo-4-pentenoic acid
ME147667
-
-
-
-
3-Oxochola-1,4,6-trien-24-oic Acid
3-Oxochola-1,4,6-trien-24-oic acid
ME147449
-
-
-
-
3R-hydroxy-5Z-dodecenoic acid
3R-Hydroxy-5Z-dodecenoic acid
ME146540
-
-
-
-
4,7,10,13-hexadecatetraenoic acid
4,7,10,13-Hexadecatetraenoic acid
ME147729
-
-
-
-
4-Aminobutyraldehyde
4-Aminobutyraldehyde
ME145463
-
-
-
-
4-Aminobutyraldehyde + 0.93856245
4-Aminobutyraldehyde
ME145527
-
-
-
-
4-aminohippurate
4-Aminohippuric acid
ME147869
-
-
-
-
4-Hydroxybenzyl cyanide
4-Hydroxybenzeneacetonitrile
ME145912
-
-
-
-
4-Methylpentanal
4-Methylpentanal
ME146103
-
-
-
-
4-Methylpentanal + 6.627116
4-Methylpentanal
ME146161
-
-
-
-
4-Hydroxypyridine
4-Pyridone
ME145686
-
-
-
-
4-Pyridoxic acid
4-Pyridoxic acid
ME145721
-
-
-
-
4Z,7Z,10Z,13Z-eicosatetraenoic acid
4Z,7Z,10Z,13Z-Eicosatetraenoic acid
ME147552
-
-
-
-
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylh...
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoin
ME145939
-
-
-
-
5,6-Dihydrouridine
5,6-Dihydrouridine
ME145607
-
-
-
-
5,7-nonadienoic acid
5,7-Nonadienoic acid
ME146013
-
-
-
-
5,7-nonadienoic acid + 7.296333
5,7-Nonadienoic acid
ME146211
-
-
-
-
5,8,11-Eicosatriynoic acid
5,8,11-Eicosatriynoic acid
ME147324
-
-
-
-
5,8-tetradecadienal
5,8-Tetradecadienal
ME146437
-
-
-
-
5,8-tetradecadienal + 9.694812
5,8-Tetradecadienal
ME146489
-
-
-
-
5alpha-androstane
5alpha-Androstane
ME146199
-
-
-
-
5a-Tetrahydrocorticosterone
5alpha-Tetrahydrocorticosterone
ME147308
-
-
-
-
5a-Tetrahydrocorticosterone + 13.111474
5alpha-Tetrahydrocorticosterone
ME147384
-
-
-
-
5-Methylcytidine
5-Methylcytidine
ME145453
-
-
-
-
5-Phenylvaleric acid
5-Phenylvaleric acid
ME146135
-
-
-
-
6,8-dihydroxy-octanoic acid
6,8-Dihydroxyoctanoic acid
ME145855
-
-
-
-
6,8-dihydroxy-octanoic acid + 3.9804275
6,8-Dihydroxyoctanoic acid
ME145898
-
-
-
-
6,8-dihydroxy-octanoic acid + 5.516731
6,8-Dihydroxyoctanoic acid
ME146046
-
-
-
-
6,9,12-hexadecatrienoic acid
6,9,12-hexadecatrienoic acid
ME147345
-
-
-
-
6,9-hexadecadienoic acid
6,9-Hexadecadienoic acid
ME146709
-
-
-
-
6,9-hexadecadienoic acid + 10.942854
6,9-Hexadecadienoic acid
ME146745
-
-
-
-
6,9-hexadecadienoic acid + 11.041221
6,9-Hexadecadienoic acid
ME146769
-
-
-
-
6,9-hexadecadienoic acid + 11.073396
6,9-Hexadecadienoic acid
ME146776
-
-
-
-
6,9-hexadecadienoic acid + 11.538918
6,9-Hexadecadienoic acid
ME146971
-
-
-
-
6alpha-Hydroxycastasterone
6alpha-Hydroxycastasterone
ME147296
-
-
-
-
6-Formylindolo [3,2-B] carbazole
6-Formylindolo[3,2-B]carbazole
ME145900
-
-
-
-
6-hydroxy-2-hexynoic acid
6-Hydroxy-2-hexynoic acid
ME146593
-
-
-
-
5-octadecylenic acid
6-Octadecylenic acid
ME147114
-
-
-
-
5-octadecylenic acid + 12.881313
6-Octadecylenic acid
ME147312
-
-
-
-
6Z,9Z-hexadecadienoic acid
6Z,9Z-Hexadecadienoic acid
ME146919
-
-
-
-
7,12-Dioxo-5beta-cholan-24-oic Acid
7,12-Dioxo-5beta-cholan-24-oic acid
ME147021
-
-
-
-
7,8-Diaminononanoate
7,8-Diaminononanoic acid
ME147884
-
-
-
-
7,8-Didehydroastaxanthin
7,8-Didehydroastaxanthin
ME147142
-
-
-
-
7,8-Didehydroastaxanthin + 12.286761
7,8-Didehydroastaxanthin
ME147155
-
-
-
-
7-palmitoleic acid
7-Palmitoleic acid
ME147389
-
-
-
-
8-Amino-7-oxononanoate
8-Amino-7-oxononanoic acid
ME145604
-
-
-
-
8-Amino-7-oxononanoate + 1.2444735
8-Amino-7-oxononanoic acid
ME147840
-
-
-
-
8-Amino-7-oxononanoate + 4.258852
8-Amino-7-oxononanoic acid
ME145928
-
-
-
-
8-Amino-7-oxononanoate + 4.78005
8-Amino-7-oxononanoic acid
ME145986
-
-
-
-
8-Amino Caprylic acid
8-Aminooctanoic acid
ME145616
-
-
-
-
8-Amino Caprylic acid + 1.268815
8-Aminooctanoic acid
ME145673
-
-
-
-
8-Amino Caprylic acid + 4.473417
8-Aminooctanoic acid
ME145962
-
-
-
-
8-hydroxy-9,11-octadecadiynoic acid
8-Hydroxy-9,11-octadecadiynoic acid
ME146922
-
-
-
-
8-hydroxy-9,11-octadecadiynoic acid + 11.402064
8-Hydroxy-9,11-octadecadiynoic acid
ME146970
-
-
-
-
8S-hydroxy-2-Decene-4,6-diynoic acid
8S-Hydroxy-2-decene-4,6-diynoic acid
ME147364
-
-
-
-
9,12,14-octadecatrienoic acid
9,12,14-Octadecatrienoic acid
ME146736
-
-
-
-
9,12,14-octadecatrienoic acid + 14.156139
9,12,14-Octadecatrienoic acid
ME147527
-
-
-
-
9,12-hexadecadienoic acid
9,12-Hexadecadienoic acid
ME146794
-
-
-
-
9,13-dihydroxy-11-octadecenoic acid
9,13-DiHOME(11)
ME147411
-
-
-
-
9-amino-nonanoic acid
9-Aminononanoic acid
ME147886
-
-
-
-
9-deoxy-9-methylene-16,16-dimethyl -PGE2
9-Deoxy-9-methylene-16,16-dimethyl -PGE2
ME147494
-
-
-
-
9-lauroleic acid
9-Dodecenoic acid
ME146499
-
-
-
-
9-lauroleic acid + 10.691579
9-Dodecenoic acid
ME147966
-
-
-
-
9-lauroleic acid + 12.46144
9-Dodecenoic acid
ME147211
-
-
-
-
9-lauroleic acid + 9.960025
9-Dodecenoic acid
ME146575
-
-
-
-
9-oxo-2E-decenoic acid
9-Oxo-2E-decenoic acid
ME146051
-
-
-
-
9-oxo-2E-decenoic acid + 7.3461013
9-Oxo-2E-decenoic acid
ME146219
-
-
-
-
9(S)-HODE-d4
9S-HODE
ME147113
-
-
-
-
ABSCISIC ACID (cis,trans)
Abscisic acid
ME146228
-
-
-
-
ABSCISIC ACID (cis,trans) + 10.506619
Abscisic acid
ME146659
-
-
-
-
ACECLIDINE
Aceclidine
ME145987
-
-
-
-
Acetamide
Acetamide
ME145231
-
-
-
-
Acetamide + 1.0857111
Acetamide
ME145584
-
-
-
-
Acetamide + 2.7069936
Acetamide
ME147690
-
-
-
-
Acetoacetic acid
Acetoacetic acid
ME145521
-
-
-
-
Acetoin
Acetoin
ME145744
-
-
-
-
Acetoin + 3.1301212
Acetoin
ME145778
-
-
-
-
Acetoin + 3.2725856
Acetoin
ME145787
-
-
-
-
Acetoin + 3.4100943
Acetoin
ME145811
-
-
-
-
Acetoin + 3.7110846
Acetoin
ME148006
-
-
-
-
Acetoin + 3.8588517
Acetoin
ME145881
-
-
-
-
Acetoin + 5.92604
Acetoin
ME146105
-
-
-
-
Acetyl-farnesyl-cysteine
Acetyl-farnesyl-cysteine
ME146762
-
-
-
-
Adipamide
Adipamide
ME147948
-
-
-
-
Ala Gly His
Ala-Gly-His
ME145820
-
-
-
-
Aldosterone
Aldosterone
ME146171
-
-
-
-
Allylestrenol
Allylestrenol
ME146200
-
-
-
-
alpha-Hydroxymetoprolol
alpha-Hydroxymetoprolol
ME146042
-
-
-
-
alpha-Hydroxymetoprolol + 5.4719324
alpha-Hydroxymetoprolol
ME146048
-
-
-
-
alpha-Hydroxymetoprolol + 5.5842547
alpha-Hydroxymetoprolol
ME146061
-
-
-
-
L-2-Aminoadipic acid
Aminoadipic acid
ME147661
-
-
-
-
ANISOMYCIN
Anisomycin
ME145960
-
-
-
-
Arachidonoylmorpholine
Arachidonoylmorpholine
ME147274
-
-
-
-
Arachidonoylmorpholine + 12.806118
Arachidonoylmorpholine
ME147293
-
-
-
-
Arg Arg Gln
Arg-Arg-Gln
ME147716
-
-
-
-
Arg Gly Gly
Arg-Gly-Gly
ME147970
-
-
-
-
Arginine
Arginine
ME145440
-
-
-
-
Arg Met His
Arg-Met-His
ME146172
-
-
-
-
Arg Phe Arg
Arg-Phe-Arg
ME146683
-
-
-
-
Arg Phe Val
Arg-Phe-Val
ME147448
-
-
-
-
Arg Pro Val
Arg-Pro-Val
ME148110
-
-
-
-
Asn His Ser
Asn-His-Ser
ME146601
-
-
-
-
Asn Ile Asn
Asn-Ile-Asn
ME146894
-
-
-
-
Asn Pro Pro
Asn-Pro-Pro
ME146963
-
-
-
-
Asp Glu
Asp-Glu
ME145796
-
-
-
-
Asp Ile Glu
Asp-Ile-Glu
ME147310
-
-
-
-
Atenolol
Atenolol
ME146725
-
-
-
-
Atenolol + 10.9422865
Atenolol
ME146738
-
-
-
-
Benztropine
Benzatropine
ME146740
-
-
-
-
Benzene
Benzene
ME145756
-
-
-
-
BENZYLBUTYLPHTHALATE
Benzyl butyl phthalate
ME146942
-
-
-
-
beta-Alanine
beta-Alanine
ME145528
-
-
-
-
beta-Alanine + 0.9838784
beta-Alanine
ME145583
-
-
-
-
beta-Alanine + 1.1774807
beta-Alanine
ME145668
-
-
-
-
Estradiol
beta-Estradiol
ME147002
-
-
-
-
beta-vinyl acrylic acid
beta-Vinyl acrylic acid
ME145471
-
-
-
-
beta-vinyl acrylic acid + 3.054233
beta-Vinyl acrylic acid
ME145739
-
-
-
-
bicyclo-PGE2
Bicyclo-PGE2
ME146023
-
-
-
-
Bilirubin
Bilirubin
ME147628
-
-
-
-
Biliverdin IX
Biliverdin
ME146370
-
-
-
-
Biliverdin IX + 9.205698
Biliverdin
ME146405
-
-
-
-
D-Biotin
Biotin
ME145773
-
-
-
-
Buprenorphine
Buprenorphine
ME146513
-
-
-
-
Buprenorphine + 10.003486
Buprenorphine
ME146592
-
-
-
-
Buprenorphine + 10.035896
Buprenorphine
ME146587
-
-
-
-
Cadaverine
Cadaverine
ME145823
-
-
-
-
Cadaverine + 3.7957973
Cadaverine
ME145870
-
-
-
-
Cadaverine + 3.8525066
Cadaverine
ME145889
-
-
-
-
Caffeine
Caffeine
ME145921
-
-
-
-
n-Hexanoic Acid
Caproic acid
ME145816
-
-
-
-
n-Hexanoic Acid + 3.8789237
Caproic acid
ME145883
-
-
-
-
n-Hexanoic Acid + 4.518689
Caproic acid
ME145967
-
-
-
-
n-Hexanoic Acid + 4.5853677
Caproic acid
ME147713
-
-
-
-
n-Hexanoic Acid + 5.517181
Caproic acid
ME146050
-
-
-
-
n-Hexanoic Acid + 7.895667
Caproic acid
ME146283
-
-
-
-
Octanal
Caprylaldehyde
ME146494
-
-
-
-
Carbaryl
Carbaryl
ME145930
-
-
-
-
CDP-DG(12:0/12:0)
CDP-DG 12:0/12:0
ME145430
-
-
-
-
Chlortetracycline
Chlortetracycline
ME145885
-
-
-
-
cis-11-Hexadecenal
cis-11-Hexadecenal
ME147412
-
-
-
-
cis-11-Hexadecenal + 13.628559
cis-11-Hexadecenal
ME147445
-
-
-
-
p-Coumaric acid
cis-p-Coumaric acid
ME145628
-
-
-
-
p-Coumaric acid + 1.7782933
cis-p-Coumaric acid
ME145687
-
-
-
-
p-Coumaric acid + 8.979086
cis-p-Coumaric acid
ME146379
-
-
-
-
Citramalic acid
Citramalic acid
ME146089
-
-
-
-
(R)-(+)-Citronellal
Citronellal
ME146539
-
-
-
-
clavirin I
Clavirin I
ME145488
-
-
-
-
Coniine
Coniine
ME145874
-
-
-
-
Corticosterone
Corticosterone
ME146240
-
-
-
-
Creatine
Creatine
ME145533
-
-
-
-
Creatinine
Creatinine
ME145541
-
-
-
-
Creatinine + 0.99268854
Creatinine
ME145545
-
-
-
-
crotamiton
Crotamiton
ME145525
-
-
-
-
Cucurbitacin H
Cucurbitacin H
ME147737
-
-
-
-
cyclandelate
Cyclandelate
ME146384
-
-
-
-
cyclandelate + 11.335367
Cyclandelate
ME146883
-
-
-
-
cyclohexylammonium
Cyclohexylamine
ME145612
-
-
-
-
cyclohexylammonium + 2.72692
Cyclohexylamine
ME145704
-
-
-
-
cyclohexylammonium + 4.091004
Cyclohexylamine
ME145908
-
-
-
-
Cys Ala Gly
Cys-Ala-Gly
ME147358
-
-
-
-
Cys Cys
Cys-Cys
ME148120
-
-
-
-
Cys Cys Lys
Cys-Cys-Lys
ME145336
-
-
-
-
Cys Pro Ile
Cys-Pro-Ile
ME146314
-
-
-
-
Cystamine
Cystamine
ME145860
-
-
-
-
Cys Trp Ile
Cys-Trp-Ile
ME147749
-
-
-
-
Dacarbazine
Dacarbazine
ME145661
-
-
-
-
Dacarbazine + 3.8842092
Dacarbazine
ME145878
-
-
-
-
Delphinidin
Delphinidin
ME148117
-
-
-
-
Desethylchloroquine
Desethylchloroquine
ME145490
-
-
-
-
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...
DG 16:1_17:2
ME147504
-
-
-
-
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...
DG 16:1_17:2
ME147526
-
-
-
-
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...
DG 16:1_17:2
ME147608
-
-
-
-
DIALLYL SULFIDE
Di-2-propenyl sulfide
ME145635
-
-
-
-
Diacetyl
Diacetyl
ME145479
-
-
-
-
Diacetyl + 1.005292
Diacetyl
ME145556
-
-
-
-
Diacetyl + 2.2872417
Diacetyl
ME145698
-
-
-
-
Diacetyl + 5.516008
Diacetyl
ME146047
-
-
-
-
DIBENZOTHIOPHENE
Dibenzothiophene
ME145587
-
-
-
-
dihydro-alpha-ergocryptine
Dihydro-alpha-ergocryptine
ME146005
-
-
-
-
Dihydromyricetin
Dihydromyricetin
ME145719
-
-
-
-
Dihydropteridine
Dihydropteridine
ME147804
-
-
-
-
Dihydrostreptomycin
Dihydrostreptomycin
ME146625
-
-
-
-
Dihydroxyacetone (glycerone)
Dihydroxyacetone
ME145485
-
-
-
-
Asymmetric dimethylarginine
Dimethylarginine
ME145567
-
-
-
-
dimethyl sulfoxide
Dimethyl sulfoxide
ME147685
-
-
-
-
N,N-Dimethyltryptamine (DMT)
Dimethyltryptamine
ME145487
-
-
-
-
Disulfiram
Disulfiram
ME146711
-
-
-
-
D-Leucic acid
D-Leucic acid
ME145717
-
-
-
-
D-Leucic acid + 3.2521865
D-Leucic acid
ME145785
-
-
-
-
D-Leucic acid + 3.3704352
D-Leucic acid
ME145810
-
-
-
-
D-Leucic acid + 3.4663346
D-Leucic acid
ME145853
-
-
-
-
D-Leucic acid + 3.6933272
D-Leucic acid
ME145864
-
-
-
-
D-Leucic acid + 3.9525054
D-Leucic acid
ME145896
-
-
-
-
D-Leucic acid + 4.173406
D-Leucic acid
ME145924
-
-
-
-
Docosanedioic acid
Docosanedioic acid
ME147758
-
-
-
-
dodecanamide
Dodecanamide
ME146674
-
-
-
-
Dodecanedioic acid
Dodecanedioic acid
ME146596
-
-
-
-
Doxapram
Doxapram
ME147922
-
-
-
-
D-Proline
D-Proline
ME145438
-
-
-
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME145759
-
-
-
-
p-HYDROXYCINNAMALDEHYDE + 6.342826
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME146138
-
-
-
-
Ecgonine
Ecgonine
ME145629
-
-
-
-
2,4-octadienal
(E,E)-2,4-Octadienal
ME145762
-
-
-
-
N-(2-hydroxyethyl)icosanamide
Eicosanoyl-EA
ME147269
-
-
-
-
Embelin
Embelin
ME146435
-
-
-
-
epsilon-Caprolactam
Epsilon-caprolactam
ME145904
-
-
-
-
epsilon-Caprolactam + 1.7590352
Epsilon-caprolactam
ME147852
-
-
-
-
DL-erythronic acid
Erythronic acid
ME145682
-
-
-
-
ESTRADIOL CYPIONATE
Estradiol cypionate
ME147599
-
-
-
-
ESTRADIOL CYPIONATE + 14.685556
Estradiol cypionate
ME147623
-
-
-
-
Estrone sulfate
Estrone 3-sulfate
ME145558
-
-
-
-
Ethosuximide
Ethosuximide
ME145627
-
-
-
-
Ethosuximide + 1.4545542
Ethosuximide
ME145677
-
-
-
-
Ethosuximide + 3.0561461
Ethosuximide
ME147866
-
-
-
-
URETHANE
Ethyl carbamate
ME145693
-
-
-
-
Fexofenadine
Fexofenadine
ME146645
-
-
-
-
Fexofenadine + 10.63036
Fexofenadine
ME146677
-
-
-
-
Gabapentin
Gabapentin
ME146010
-
-
-
-
Anandamide (18:3, n-6)
gamma-Linolenoyl-EA
ME147392
-
-
-
-
Gestrinone
Gestrinone
ME146555
-
-
-
-
Gibberellin A9
Gibberellin A9
ME146377
-
-
-
-
Gln Pro Gln
Gln-Pro-Gln
ME145915
-
-
-
-
Gln Pro Lys
Gln-Pro-Lys
ME145992
-
-
-
-
Gln Ser His
Gln-Ser-His
ME147894
-
-
-
-
Gln Ser Pro
Gln-Ser-Pro
ME147874
-
-
-
-
Sedoheptulose
Glucoheptulose
ME145876
-
-
-
-
Glucosamine
Glucosamine
ME147989
-
-
-
-
D-Glucose
Glucose
ME145797
-
-
-
-
Glu Glu
Glu-Glu
ME145919
-
-
-
-
Glu Pro Glu
Glu-Pro-Glu
ME145593
-
-
-
-
Glutaral (Glutaraldehyde)
Glutaral
ME145617
-
-
-
-
Glutaral (Glutaraldehyde) + 2.9589677
Glutaral
ME145741
-
-
-
-
Glutaral (Glutaraldehyde) + 3.091626
Glutaral
ME147998
-
-
-
-
Glutaral (Glutaraldehyde) + 3.1847427
Glutaral
ME145772
-
-
-
-
Glu Thr
Glu-Thr
ME145546
-
-
-
-
Glu Tyr Glu
Glu-Tyr-Glu
ME147831
-
-
-
-
Glycine
Glycine
ME145606
-
-
-
-
Cholylglycine
Glycocholic acid
ME146252
-
-
-
-
Lithocholic acid glycine conjugate
Glycolithocholic acid
ME147458
-
-
-
-
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME146361
-
-
-
-
Gly Leu
Gly-Leu
ME147679
-
-
-
-
Guanethidine
Guanethidine
ME147491
-
-
-
-
Guanidinosuccinic Acid
Guanidinosuccinic acid
ME145699
-
-
-
-
Guanidinosuccinic Acid + 2.11935
Guanidinosuccinic acid
ME147855
-
-
-
-
Guanine
Guanine
ME145645
-
-
-
-
Hexadecanedioic acid
Hexadecanedioic acid
ME147207
-
-
-
-
hexane
Hexane
ME146039
-
-
-
-
hexane + 5.607934
Hexane
ME146065
-
-
-
-
Hippuric acid
Hippuric acid
ME145940
-
-
-
-
His Arg Asn
His-Arg-Asn
ME146164
-
-
-
-
His Gly Gly
His-Gly-Gly
ME145458
-
-
-
-
His Thr Ala
His-Thr-Ala
ME145893
-
-
-
-
Histidine
Histidine
ME145434
-
-
-
-
Homoarginine
Homoarginine
ME145536
-
-
-
-
Homoserine
Homoserine
ME145572
-
-
-
-
Hydrocortisone caproate
Hydrocortisone caproate
ME146266
-
-
-
-
Hydrocortisone succinate
Hydrocortisone succinate
ME146350
-
-
-
-
Hydroxyibuprofen
Hydroxyibuprofen
ME146658
-
-
-
-
Hypoxanthine
Hypoxanthine
ME145618
-
-
-
-
Idebenone
Idebenone
ME146366
-
-
-
-
Ile Ala
Ile-Ala
ME147682
-
-
-
-
Indole-3-carboxylic acid
Indole-3-carboxylic acid
ME147956
-
-
-
-
3-Indoleacetic Acid
Indoleacetic acid
ME146110
-
-
-
-
Indoleacrylic acid
Indoleacrylic acid
ME145837
-
-
-
-
Indoleacrylic acid + 4.0795326
Indoleacrylic acid
ME145902
-
-
-
-
Indoleacrylic acid + 5.6703653
Indoleacrylic acid
ME146077
-
-
-
-
Indoleacrylic acid + 5.851069
Indoleacrylic acid
ME146095
-
-
-
-
Inosine
Inosine
ME147864
-
-
-
-
Irbesartan
Irbesartan
ME148103
-
-
-
-
Isoleucine
Isoleucine
ME147689
-
-
-
-
Isoniazid
Isoniazid
ME145920
-
-
-
-
ISOPIMPINELLIN
Isopimpinellin
ME145501
-
-
-
-
Isoquinoline
Isoquinoline
ME146111
-
-
-
-
Isoquinoline + 6.695398
Isoquinoline
ME146169
-
-
-
-
ISOSAFROLE
Isosafrole
ME146245
-
-
-
-
ISOSAFROLE + 11.283258
Isosafrole
ME146839
-
-
-
-
ISOSAFROLE + 11.338241
Isosafrole
ME146893
-
-
-
-
ISOSAFROLE + 7.7484255
Isosafrole
ME146268
-
-
-
-
ISOSAFROLE + 7.771576
Isosafrole
ME147963
-
-
-
-
ISOSAFROLE + 7.8931084
Isosafrole
ME146282
-
-
-
-
Leu Arg Tyr
Leu-Arg-Tyr
ME148129
-
-
-
-
Leu Asp Lys
Leu-Asp-Lys
ME148018
-
-
-
-
Leucine
Leucine
ME145664
-
-
-
-
Leucine + 1.6354626
Leucine
ME148125
-
-
-
-
Leucine + 2.303836
Leucine
ME145701
-
-
-
-
Leucine + 3.3352199
Leucine
ME145789
-
-
-
-
Leu Gly Gly
Leu-Gly-Gly
ME145517
-
-
-
-
Leu Ile Tyr
Leu-Ile-Tyr
ME146059
-
-
-
-
Leupeptin
Leupeptin
ME147322
-
-
-
-
Leupeptin + 13.121516
Leupeptin
ME147352
-
-
-
-
Leu Pro
Leu-Pro
ME145672
-
-
-
-
Leu Pro + 2.7922463
Leu-Pro
ME145713
-
-
-
-
Leu Pro + 2.848562
Leu-Pro
ME148076
-
-
-
-
Leu Pro Ile
Leu-Pro-Ile
ME147529
-
-
-
-
Leu Pro Pro
Leu-Pro-Pro
ME146591
-
-
-
-
Levamisole
Levamisole
ME146148
-
-
-
-
Levamisole + 6.5314565
Levamisole
ME146156
-
-
-
-
Limonene-1,2-epoxide
Limonene-1,2-epoxide
ME146439
-
-
-
-
Limonene-1,2-epoxide + 5.359787
Limonene-1,2-epoxide
ME147724
-
-
-
-
Limonene-1,2-epoxide + 9.695849
Limonene-1,2-epoxide
ME146491
-
-
-
-
Linoleamide
Linoleamide
ME147247
-
-
-
-
Loroxanthin ester/ Loroxanthin dodecenoate
Loroxanthin dodecenoate
ME145428
-
-
-
-
Linolenoyl lysolecithin
LPC 18:3
ME146581
-
-
-
-
Linolenoyl lysolecithin + 10.056284
LPC 18:3
ME146597
-
-
-
-
Linolenoyl lysolecithin + 10.174725
LPC 18:3
ME146615
-
-
-
-
GPEtn(18:0/0:0)
LPE 18:0/0:0
ME146671
-
-
-
-
GPEtn(18:1(9Z)/0:0)
LPE 18:1
ME146926
-
-
-
-
LTB4 ethanol amide
LTB4 ethanol amide
ME147318
-
-
-
-
LUPININE
Lupinine
ME145871
-
-
-
-
Lys Asn Pro
Lys-Asn-Pro
ME145917
-
-
-
-
Lys His
Lys-His
ME145954
-
-
-
-
Lys His + 4.3157253
Lys-His
ME148008
-
-
-
-
Lysine
Lysine
ME145237
-
-
-
-
Lys Lys Lys
Lys-Lys-Lys
ME147420
-
-
-
-
Lys Lys Met
Lys-Lys-Met
ME146072
-
-
-
-
Met Cys His
Met-Cys-His
ME147344
-
-
-
-
Met Gln Ala
Met-Gln-Ala
ME146399
-
-
-
-
Methionine sulfoxide
Methionine sulfoxide
ME147990
-
-
-
-
Met His Lys
Met-His-Lys
ME146385
-
-
-
-
Met His Lys + 10.022826
Met-His-Lys
ME146589
-
-
-
-
Met His Lys + 10.062148
Met-His-Lys
ME146602
-
-
-
-
Met His Lys + 9.230489
Met-His-Lys
ME146407
-
-
-
-
Met His Lys + 9.574681
Met-His-Lys
ME146428
-
-
-
-
Met His Lys + 9.66671
Met-His-Lys
ME146461
-
-
-
-
Met His Lys + 9.742552
Met-His-Lys
ME146530
-
-
-
-
Met His Lys + 9.834422
Met-His-Lys
ME146553
-
-
-
-
METHOPRENE (S)
Methoprene
ME147328
-
-
-
-
Methyl jasmonate
Methyl jasmonate
ME146336
-
-
-
-
1-hexadecanoyl-sn-glycerol
MG 16:0/0:0/0:0
ME147410
-
-
-
-
1-hexadecanoyl-sn-glycerol + 13.626357
MG 16:0/0:0/0:0
ME147447
-
-
-
-
1-octadecanoyl-rac-glycerol
MG 18:0
ME147597
-
-
-
-
1-octadecanoyl-rac-glycerol + 14.683342
MG 18:0
ME147622
-
-
-
-
1-(9Z,12Z-octadecadienoyl)-rac-glycerol
MG 18:2
ME146935
-
-
-
-
1-(9Z,12Z-octadecadienoyl)-rac-glycerol + 11.46301...
MG 18:2
ME146956
-
-
-
-
1-eicosanoyl-rac-glycerol
MG 20:0
ME147927
-
-
-
-
Phthalic acid Mono-2-ethylhexyl Ester
Monoethylhexyl phthalic acid
ME146989
-
-
-
-
Phthalic acid Mono-2-ethylhexyl Ester + 11.718434
Monoethylhexyl phthalic acid
ME147010
-
-
-
-
Phthalic acid Mono-2-ethylhexyl Ester + 11.81391
Monoethylhexyl phthalic acid
ME148104
-
-
-
-
Morphinone
Morphinone
ME146443
-
-
-
-
Muramic acid
Muramic acid
ME145465
-
-
-
-
MYCOPHENOLIC ACID
Mycophenolic acid
ME146073
-
-
-
-
MYCOPHENOLIC ACID + 5.8852096
Mycophenolic acid
ME146082
-
-
-
-
N1-Acetylspermidine
N1-Acetylspermidine
ME147827
-
-
-
-
(-)N-(1R-methyl-propyl) arachidonoyl amine
N-(1R-Methyl-propyl) arachidonoyl amine
ME147278
-
-
-
-
N2,N2-Dimethylguanosine
N2,N2-Dimethylguanosine
ME145803
-
-
-
-
Isopentenyladenine
N6-Isopentenyladenine
ME145633
-
-
-
-
Isopentenyladenine + 1.2597357
N6-Isopentenyladenine
ME145667
-
-
-
-
Ne-Methyl-L-lysine
N(6)-Methyllysine
ME145437
-
-
-
-
N-Acetylarylamine
N-Acetylarylamine
ME145634
-
-
-
-
N-AcetylCilastatin
N-AcetylCilastatin
ME146163
-
-
-
-
N-Acetylputrescine
N-Acetylputrescine
ME145592
-
-
-
-
Nadolol
Nadolol
ME146149
-
-
-
-
Nadolol + 6.503659
Nadolol
ME146155
-
-
-
-
Nadolol + 6.615945
Nadolol
ME146159
-
-
-
-
Nadolol + 6.678749
Nadolol
ME146168
-
-
-
-
Nadolol + 6.7931957
Nadolol
ME146177
-
-
-
-
Nadolol + 6.893298
Nadolol
ME146182
-
-
-
-
Nalorphine
Nalorphine
ME146558
-
-
-
-
Nalorphine + 10.114542
Nalorphine
ME146608
-
-
-
-
N-arachidonoyl D-serine
N-Arachidonoyl D-serine
ME146411
-
-
-
-
Caffeoylputrescine
N-Caffeoylputrescine
ME147826
-
-
-
-
Nedocromil
Nedocromil
ME146153
-
-
-
-
N-ethyl N-(2-hydroxy-ethyl) arachidonoyl amine
N-Ethyl N-(2-hydroxy-ethyl) arachidonoyl amine
ME147179
-
-
-
-
N-ethyl N-(2-hydroxy-ethyl) arachidonoyl amine + 1...
N-Ethyl N-(2-hydroxy-ethyl) arachidonoyl amine
ME147224
-
-
-
-
Netilmicin
Netilmicin
ME145985
-
-
-
-
Niacinamide
Niacinamide
ME145694
-
-
-
-
n-methylnicotinamide
N-Methylnicotinamide
ME147670
-
-
-
-
Octanol
n-Octanol
ME145970
-
-
-
-
Norcodeine
Norcodeine
ME146398
-
-
-
-
Norcodeine + 9.289714
Norcodeine
ME146409
-
-
-
-
Norcodeine + 9.376453
Norcodeine
ME146419
-
-
-
-
Norpropoxyphene
Norpropoxyphene
ME146572
-
-
-
-
n-Pentadecylamine
N-Pentadecylamine
ME146469
-
-
-
-
n-Pentadecylamine + 9.664473
N-Pentadecylamine
ME146492
-
-
-
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]
NPPB
ME146029
-
-
-
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 5...
NPPB
ME146064
-
-
-
-
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 5...
NPPB
ME146092
-
-
-
-
NYLIDRIN
NYLIDRIN
ME147711
-
-
-
-
Octocrylene
Octocrylene
ME147360
-
-
-
-
Oleamide
Oleamide
ME147417
-
-
-
-
Oleandomycin
Oleandomycin
ME147236
-
-
-
-
Oleandomycin + 12.631897
Oleandomycin
ME147254
-
-
-
-
N-(2-hydroxyethyl)oleamide
Oleoyl-EA
ME147568
-
-
-
-
Oxybutynin
Oxybutynin
ME146812
-
-
-
-
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME147304
-
-
-
-
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 14.043131
PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME147795
-
-
-
-
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 14.189259
PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME147535
-
-
-
-
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 14.267213
PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME147797
-
-
-
-
N-(2-hydroxyethyl)palmitamide
Palmitoyl-EA
ME147306
-
-
-
-
N-(2-hydroxyethyl)palmitamide + 14.244078
Palmitoyl-EA
ME147554
-
-
-
-
N-(2-hydroxyethyl)palmitamide + 14.481297
Palmitoyl-EA
ME147618
-
-
-
-
p-Aminobenzoic acid
p-Aminobenzoic acid
ME145531
-
-
-
-
Pantetheine
Pantetheine
ME146053
-
-
-
-
Pantothenic Acid
Pantothenic acid
ME145805
-
-
-
-
Paraxanthine
Paraxanthine
ME145848
-
-
-
-
GPEtn(18:1(9Z)/18:1(9Z))[U]
PE 18:1(9Z)/18:1(9Z)
ME147067
-
-
-
-
GPEtn(18:1(9Z)/18:1(9Z))[U] + 12.079339
PE 18:1(9Z)/18:1(9Z)
ME147100
-
-
-
-
Penbutolol
Penbutolol
ME146224
-
-
-
-
Penciclovir
Penciclovir
ME145825
-
-
-
-
Penicillamine
Penicillamine
ME147845
-
-
-
-
Penicillin V
Penicillin V
ME147747
-
-
-
-
pentanamide
Pentanamide
ME145523
-
-
-
-
pentanamide + 4.2868834
Pentanamide
ME145931
-
-
-
-
Pentoxifylline
Pentoxifylline
ME145559
-
-
-
-
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))
PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)
ME145433
-
-
-
-
GPGro(17:0/17:0)[U]
PG 17:0/17:0
ME145417
-
-
-
-
GPGro(17:0/20:4(5Z,8Z,11Z,14Z))
PG 17:0/20:4(5Z,8Z,11Z,14Z)
ME145405
-
-
-
-
PGE1 alcohol
PGE1 alcohol
ME147917
-
-
-
-
PGE2
PGE2
ME146424
-
-
-
-
PGF2alpha isopropyl ester
PGF2alpha isopropyl ester
ME146756
-
-
-
-
PGF2alpha isopropyl ester + 11.026333
PGF2alpha isopropyl ester
ME146774
-
-
-
-
PGF2alpha isopropyl ester + 11.15266
PGF2alpha isopropyl ester
ME146804
-
-
-
-
PGF2alpha isopropyl ester + 11.358606
PGF2alpha isopropyl ester
ME146897
-
-
-
-
PGF2alpha isopropyl ester + 11.614127
PGF2alpha isopropyl ester
ME146977
-
-
-
-
Phe Gln Phe
Phe-Gln-Phe
ME146456
-
-
-
-
Phe Leu
Phe-Leu
ME145958
-
-
-
-
Phe Met Met
Phe-Met-Met
ME146395
-
-
-
-
Phenacetine
Phenacetin
ME145737
-
-
-
-
Phendimetrazine
Phendimetrazine
ME146304
-
-
-
-
Phenindione
Phenindione
ME146994
-
-
-
-
Phenoperidine
Phenoperidine
ME147897
-
-
-
-
Phenylacetic acid
Phenylacetic acid
ME148014
-
-
-
-
Phenylmethyl methyl ketone
Phenylacetone
ME146467
-
-
-
-
Phenylalanine
Phenylalanine
ME147843
-
-
-
-
Phenylethylamine
Phenylethylamine
ME145918
-
-
-
-
GPIns(16:0/18:1(9Z))
PI 16:0/18:1(9Z)
ME147060
-
-
-
-
GPIns(16:0/18:1(9Z)) + 12.030009
PI 16:0/18:1(9Z)
ME147081
-
-
-
-
GPIns(17:0/14:1(9Z))
PI 17:0/14:1(9Z)
ME145386
-
-
-
-
Pinacidil
Pindac
ME145925
-
-
-
-
Pinacidil + 4.292715
Pindac
ME145933
-
-
-
-
Pinacidil + 4.3888726
Pindac
ME145948
-
-
-
-
Pinacidil + 4.491005
Pindac
ME145964
-
-
-
-
Pro Ala Leu
Pro-Ala-Leu
ME147700
-
-
-
-
Pro His
Pro-His
ME145832
-
-
-
-
Pro His + 3.655032
Pro-His
ME145849
-
-
-
-
Pro His His
Pro-His-His
ME147833
-
-
-
-
Pro Leu Cys
Pro-Leu-Cys
ME146321
-
-
-
-
Proline
Proline
ME145652
-
-
-
-
Proline + 0.92105854
Proline
ME147673
-
-
-
-
Proline + 1.5478859
Proline
ME147688
-
-
-
-
Proline + 1.9875107
Proline
ME145688
-
-
-
-
Proline + 2.7835262
Proline
ME145709
-
-
-
-
Proline + 3.526491
Proline
ME145818
-
-
-
-
Pro Phe
Pro-Phe
ME145959
-
-
-
-
Pro Pro Phe
Pro-Pro-Phe
ME146844
-
-
-
-
Pro Ser Glu
Pro-Ser-Glu
ME145455
-
-
-
-
Pro Tyr
Pro-Tyr
ME146018
-
-
-
-
GPSer(18:1(9Z)/18:1(9Z))
PS 18:1(9Z)/18:1(9Z)
ME145401
-
-
-
-
GPSer(18:2(9Z,12Z)/18:2(9Z,12Z))[U]
PS 18:2(9Z,12Z)/18:2(9Z,12Z)
ME148056
-
-
-
-
Purine
Purine
ME145234
-
-
-
-
Purine + 0.7245829
Purine
ME147634
-
-
-
-
Purine + 0.85185045
Purine
ME145442
-
-
-
-
Purine + 1.0905235
Purine
ME145581
-
-
-
-
Purine + 3.719617
Purine
ME145862
-
-
-
-
Pyrazinamide
Pyrazinamide
ME145846
-
-
-
-
Pyridine
Pyridine
ME145579
-
-
-
-
Pyridoxamine
Pyridoxamine
ME145781
-
-
-
-
Pyroglutamic acid
Pyroglutamic acid
ME145449
-
-
-
-
Pyroglutamic acid + 1.5272607
Pyroglutamic acid
ME145681
-
-
-
-
Pyroglutamic acid + 4.323956
Pyroglutamic acid
ME145938
-
-
-
-
Methylglyoxal
Pyruvaldehyde
ME145462
-
-
-
-
Queuine
Queuine
ME145977
-
-
-
-
OXYQUINOLINE
Quinolin-8-ol
ME145838
-
-
-
-
OXYQUINOLINE + 4.209661
Quinolin-8-ol
ME145953
-
-
-
-
OXYQUINOLINE + 4.399383
Quinolin-8-ol
ME147954
-
-
-
-
OXYQUINOLINE + 4.6872563
Quinolin-8-ol
ME145982
-
-
-
-
Quinone
Quinone
ME145456
-
-
-
-
Resolvin D1
Resolvin D1
ME147453
-
-
-
-
ROFECOXIB
Rofecoxib
ME145799
-
-
-
-
sebacic acid
Sebacic acid
ME146218
-
-
-
-
Ser Ile Asp
Ser-Ile-Asp
ME145777
-
-
-
-
Ser Pro Asp
Ser-Pro-Asp
ME145443
-
-
-
-
SM(d18:0/20:0)
SM 18:0;O2/20:0
ME145361
-
-
-
-
Dihydrosphingosine
Sphinganine
ME147748
-
-
-
-
octadecanamide
Stearamide
ME147436
-
-
-
-
Stearamide
Stearamide
ME147579
-
-
-
-
Stearic acid
Stearic acid
ME147621
-
-
-
-
N-(2-hydroxyethyl)stearamide
Stearoyl-EA
ME147511
-
-
-
-
Succinylacetone
Succinylacetone
ME145731
-
-
-
-
Sulfaphenazole
Sulfaphenazole
ME146632
-
-
-
-
Sulfate
Sulfate
ME145228
-
-
-
-
Sulfate + 0.9275894
Sulfate
ME145535
-
-
-
-
Sulfate + 1.0385672
Sulfate
ME145571
-
-
-
-
Sulfate + 1.2718956
Sulfate
ME145669
-
-
-
-
5-(hydroxymethyl)- 2-Furancarboxylic acid
Sumiki's acid
ME147676
-
-
-
-
5-(hydroxymethyl)- 2-Furancarboxylic acid + 1.1591...
Sumiki's acid
ME148058
-
-
-
-
Tacrolimus
Tacrolimus
ME146896
-
-
-
-
Tacrolimus + 0.8404361
Tacrolimus
ME147659
-
-
-
-
Tacrolimus + 11.445586
Tacrolimus
ME146927
-
-
-
-
TEGASEROD
Tegaserod
ME145828
-
-
-
-
TEGASEROD + 3.630939
Tegaserod
ME145847
-
-
-
-
Tetracosahexaenoic acid
Tetracosahexaenoic acid
ME146565
-
-
-
-
Tetracosahexaenoic acid + 10.119264
Tetracosahexaenoic acid
ME146609
-
-
-
-
Tetradecylamine
Tetradecylamine
ME146434
-
-
-
-
Tetrahydrofuran
Tetrahydrofuran
ME145879
-
-
-
-
Tetrahydrofuran + 4.5170274
Tetrahydrofuran
ME145965
-
-
-
-
Tetrahydrofuran + 4.553784
Tetrahydrofuran
ME145968
-
-
-
-
Tetrahydrofuran + 4.6242595
Tetrahydrofuran
ME145978
-
-
-
-
Tetrahydrofuran + 5.6420116
Tetrahydrofuran
ME148010
-
-
-
-
Tetrahydrofuran + 5.721473
Tetrahydrofuran
ME146084
-
-
-
-
THIODIGLYCOL
Thiodiglycol
ME146381
-
-
-
-
THIODIGLYCOL + 1.2147598
Thiodiglycol
ME147992
-
-
-
-
thyrotropin releasing hormone
Thyrotropin releasing hormone
ME147281
-
-
-
-
tomatidinol
Tomatidinol
ME148031
-
-
-
-
Tranexamic acid
Tranexamic acid
ME145630
-
-
-
-
trans-3-Hydroxycotinine glucuronide
trans-3-Hydroxycotinine glucuronide
ME147076
-
-
-
-
trans-3-Hydroxycotinine glucuronide + 12.1933155
trans-3-Hydroxycotinine glucuronide
ME147117
-
-
-
-
Trans-4-Hydroxy-L-proline
trans-4-Hydroxyproline
ME145450
-
-
-
-
Trolamine
Triethanolamine
ME147946
-
-
-
-
Triparanol
Triparanol
ME145564
-
-
-
-
Triparanol + 1.0918698
Triparanol
ME147674
-
-
-
-
Triparanol + 1.1262335
Triparanol
ME145631
-
-
-
-
Triparanol + 1.2319102
Triparanol
ME145670
-
-
-
-
Triparanol + 3.422217
Triparanol
ME145808
-
-
-
-
Trp Arg Ala
Trp-Arg-Ala
ME147860
-
-
-
-
Trp Gly His
Trp-Gly-His
ME147887
-
-
-
-
Trp Gly Phe
Trp-Gly-Phe
ME145835
-
-
-
-
Trp Phe
Trp-Phe
ME146024
-
-
-
-
Trp Tyr Tyr
Trp-Tyr-Tyr
ME146354
-
-
-
-
Indole-3-ethanol
Tryptophanol
ME145446
-
-
-
-
Indole-3-ethanol + 10.48405
Tryptophanol
ME146656
-
-
-
-
Indole-3-ethanol + 10.696221
Tryptophanol
ME146693
-
-
-
-
Indole-3-ethanol + 10.977722
Tryptophanol
ME146751
-
-
-
-
Indole-3-ethanol + 11.238193
Tryptophanol
ME146828
-
-
-
-
Indole-3-ethanol + 11.506125
Tryptophanol
ME146947
-
-
-
-
Tuberonic acid
Tuberonic acid
ME145895
-
-
-
-
Tyr Arg Cys
Tyr-Arg-Cys
ME147908
-
-
-
-
Tyr Asp Met
Tyr-Asp-Met
ME148074
-
-
-
-
Tyr Thr Cys
Tyr-Thr-Cys
ME145492
-
-
-
-
QH2
Ubiquinol-2
ME147354
-
-
-
-
Uracil
Uracil
ME147681
-
-
-
-
Urea
Urea
ME145226
-
-
-
-
Urea + 0.7614466
Urea
ME145229
-
-
-
-
Urea + 0.91112196
Urea
ME145515
-
-
-
-
Urea + 1.0790937
Urea
ME147677
-
-
-
-
Urea + 1.2225296
Urea
ME148075
-
-
-
-
Urea + 3.3357449
Urea
ME147950
-
-
-
-
Urea + 3.7558262
Urea
ME145869
-
-
-
-
Urea + 4.1838627
Urea
ME145923
-
-
-
-
Uric acid
Uric acid
ME145608
-
-
-
-
Uric acid + 1.3433642
Uric acid
ME145675
-
-
-
-
Uridine
Uridine
ME145609
-
-
-
-
Uridine + 1.1965969
Uridine
ME145662
-
-
-
-
Uridine + 1.2380995
Uridine
ME147993
-
-
-
-
Urocanic acid
Urocanic acid
ME147841
-
-
-
-
Val Gly
Val-Gly
ME145575
-
-
-
-
Val Trp Val
Val-Trp-Val
ME147185
-
-
-
-
Vanillactic acid
Vanillactic acid
ME147820
-
-
-
-
Verapamil
Verapamil
ME146866
-
-
-
-
Verapamil + 11.388318
Verapamil
ME146909
-
-
-
-
Vidarabine
Vidarabine
ME145729
-
-
-
-
Vigabatrin
Vigabatrin
ME145253
-
-
-
-
Vigabatrin + 1.0077096
Vigabatrin
ME145557
-
-
-
-
Vigabatrin + 11.315058
Vigabatrin
ME146868
-
-
-
-
Vigabatrin + 3.193221
Vigabatrin
ME145771
-
-
-
-
Zopiclone
Zopiclone
ME146995
-
-
-
-
10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid
-
ME146263
-
-
-
-
10-hydroxy-8E-Decene-2,4,6-triynoic acid
-
ME146376
-
-
-
-
10-hydroxy-hexadecan-1,16-dioic acid
-
ME146650
-
-
-
-
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...
-
ME146649
-
-
-
-
14-Hydroxy-6-O-methylerythromycin A
-
ME145426
-
-
-
-
14-Hydroxy-6-O-methylerythromycin A + 0.8525497
-
ME145431
-
-
-
-
1-(5-Ketohexyl)-3-methylxanthine
-
ME145903
-
-
-
-
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,10Z,1...
-
ME147444
-
-
-
-
16a-Hydroxydydrogesterone glucoronide
-
ME146167
-
-
-
-
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,...
-
ME147451
-
-
-
-
19-Oxotestosterone
-
ME146329
-
-
-
-
1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-gl...
-
ME147658
-
-
-
-
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1al...
-
ME147617
-
-
-
-
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...
-
ME146684
-
-
-
-
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...
-
ME146700
-
-
-
-
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa...
-
ME147418
-
-
-
-
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa...
-
ME147435
-
-
-
-
1alpha,25-dihydroxy-26,27-dimethyl-24a-homovitamin...
-
ME147572
-
-
-
-
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin...
-
ME147166
-
-
-
-
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin...
-
ME147911
-
-
-
-
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin...
-
ME147423
-
-
-
-
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...
-
ME147368
-
-
-
-
1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hy...
-
ME147363
-
-
-
-
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...
-
ME147356
-
-
-
-
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...
-
ME147534
-
-
-
-
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-ox...
-
ME147714
-
-
-
-
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...
-
ME147794
-
-
-
-
1-heptadecanoyl-rac-glycerol
-
ME147528
-
-
-
-
1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-p...
-
ME146100
-
-
-
-
(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl...
-
ME147456
-
-
-
-
2,3,4-Trihydroxybenzylhydrazide
-
ME145573
-
-
-
-
(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / (...
-
ME147223
-
-
-
-
(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lact...
-
ME146895
-
-
-
-
2,4-Diamino-6,7-dimethoxyquinazoline
-
ME147865
-
-
-
-
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...
-
ME147935
-
-
-
-
2alpha-methyl-3-epi-1alpha,25-dihydroxyvitamin D_3...
-
ME147928
-
-
-
-
2-Amino-2-methyl-1-propanol
-
ME145537
-
-
-
-
2-Amino-2-methyl-1-propanol + 1.0689027
-
ME147947
-
-
-
-
2-Amino-2-methyl-1-propanol + 3.3348465
-
ME145790
-
-
-
-
2-Amino-3-methyl-1-butanol
-
ME145505
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.058224
-
ME146598
-
-
-
-
2-Amino-3-methyl-1-butanol + 1.0159793
-
ME148124
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.313345
-
ME146628
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.319972
-
ME146616
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.468969
-
ME146655
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.586369
-
ME146667
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.693879
-
ME146707
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.736109
-
ME147740
-
-
-
-
2-Amino-3-methyl-1-butanol + 10.86486
-
ME147742
-
-
-
-
2-Amino-3-methyl-1-butanol + 11.016444
-
ME146754
-
-
-
-
2-Amino-3-methyl-1-butanol + 11.051004
-
ME147743
-
-
-
-
2-Amino-3-methyl-1-butanol + 11.264595
-
ME146860
-
-
-
-
2-Amino-3-methyl-1-butanol + 11.280685
-
ME147744
-
-
-
-
2-Amino-3-methyl-1-butanol + 11.496505
-
ME147753
-
-
-
-
2-Amino-3-methyl-1-butanol + 11.9133625
-
ME147135
-
-
-
-
2-Amino-3-methyl-1-butanol + 12.4143095
-
ME147206
-
-
-
-
2-Amino-3-methyl-1-butanol + 12.450909
-
ME147231
-
-
-
-
2-Amino-3-methyl-1-butanol + 8.0993805
-
ME146293
-
-
-
-
2-Amino-3-methyl-1-butanol + 8.170508
-
ME146301
-
-
-
-
2-Amino-3-methyl-1-butanol + 9.991623
-
ME146586
-
-
-
-
2-Aminomuconate 6-semialdehyde
-
ME145574
-
-
-
-
2H-1-Benzopyran-6-acetic acid, 7-hydroxy-8-methoxy...
-
ME145804
-
-
-
-
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Meta...
-
ME146303
-
-
-
-
2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propyl...
-
ME148038
-
-
-
-
2-Hydroxy-C18-cerebroside
-
ME147319
-
-
-
-
2-Propylisonicotinic acid
-
ME145807
-
-
-
-
2-tetracosanamidoethanesulfonic acid
-
ME148047
-
-
-
-
2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-al...
-
ME147999
-
-
-
-
3-(a-Naphthoxy)lactic acid glucuronide
-
ME145491
-
-
-
-
3a-OH Desogestrel
-
ME147391
-
-
-
-
3-Hydroxy-4-methoxyphenylacetic acid
-
ME146382
-
-
-
-
3'-Hydroxytrimethoprim
-
ME146229
-
-
-
-
3-Methylamino-1,2-propandiol
-
ME145534
-
-
-
-
3-Methylamino-1,2-propandiol + 9.939783
-
ME146567
-
-
-
-
3-O-Methyldobutamine
-
ME146363
-
-
-
-
3-O-Methyldobutamine + 9.541246
-
ME146430
-
-
-
-
3-O-Methyldobutamine + 9.645908
-
ME147736
-
-
-
-
3-O-Methyldobutamine + 9.693114
-
ME146496
-
-
-
-
3-PINANONE OXIME
-
ME145877
-
-
-
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline
-
ME145783
-
-
-
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline...
-
ME145802
-
-
-
-
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline...
-
ME145892
-
-
-
-
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methy...
-
ME147315
-
-
-
-
5-HYDROXYIMINOISOCARYOPHYLLENE
-
ME146315
-
-
-
-
5-HYDROXYIMINOISOCARYOPHYLLENE + 8.264022
-
ME147890
-
-
-
-
6'-Exomethylenesimvastatin
-
ME146260
-
-
-
-
(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,1...
-
ME147517
-
-
-
-
7-DEACETOXY-7-OXOKHIVORIN
-
ME146638
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid
-
ME147051
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 12.01225
-
ME147077
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 12.142764
-
ME147121
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 12.25186
-
ME147156
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 12.371478
-
ME147234
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 12.537455
-
ME147295
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 12.542628
-
ME147233
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 12.7353115
-
ME147350
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 13.894713
-
ME147498
-
-
-
-
8R-hydroxy-9Z-octadecenoic acid + 14.122501
-
ME147521
-
-
-
-
9-heptadecylenic acid
-
ME147174
-
-
-
-
Adonixanthin/ 4-Ketozeaxanthin
-
ME147515
-
-
-
-
AGELASINE
-
ME146670
-
-
-
-
Allocortol
-
ME146521
-
-
-
-
Allocortol + 10.09885
-
ME146607
-
-
-
-
Allocortol + 10.335503
-
ME146634
-
-
-
-
Allocortol + 9.85386
-
ME146560
-
-
-
-
Allocortolone
-
ME146640
-
-
-
-
Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxant...
-
ME147760
-
-
-
-
alpha-Phenylcyclohexylglycolic acid
-
ME147734
-
-
-
-
Alprostadil(15-keto-13,14-dihydro-PGE)
-
ME146403
-
-
-
-
Anandamide 0-phosphate
-
ME146085
-
-
-
-
androst-16-en-3alpha-ol
-
ME147015
-
-
-
-
Arachidonyl lysolecithin
-
ME146657
-
-
-
-
avobenzone
-
ME147336
-
-
-
-
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl-
-
ME146081
-
-
-
-
Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylet...
-
ME146025
-
-
-
-
Bis (2-hydroxypropyl) amine
-
ME145626
-
-
-
-
Bis (2-hydroxypropyl) amine + 1.6200651
-
ME147849
-
-
-
-
Bis (2-hydroxypropyl) amine + 2.759289
-
ME145705
-
-
-
-
CARYOPHYLLENE [t(-)]
-
ME146441
-
-
-
-
CARYOPHYLLENE [t(-)] + 9.6942625
-
ME146488
-
-
-
-
CARYOPHYLLENE [t(-)] + 9.95652
-
ME146577
-
-
-
-
Cerebroside C
-
ME145403
-
-
-
-
Cerebroside C + 12.490043
-
ME147213
-
-
-
-
CEVADINE
-
ME147723
-
-
-
-
D1-2-Hydroxymethylethisterone
-
ME147203
-
-
-
-
DACP analog of retinoic acid
-
ME146584
-
-
-
-
DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER
-
ME146604
-
-
-
-
DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER + 10.087647
-
ME147893
-
-
-
-
Descarboethoxyloratadine
-
ME147883
-
-
-
-
deschlorobenzoyl Indomethacin
-
ME146027
-
-
-
-
deschlorobenzoyl Indomethacin + 5.665813
-
ME147962
-
-
-
-
desethyletomidate
-
ME147705
-
-
-
-
Desmethyldeschlorobenzoyl Indomethacin
-
ME145746
-
-
-
-
Desmethyldoxepine
-
ME146298
-
-
-
-
Desmethyldoxepine + 8.210644
-
ME146309
-
-
-
-
Desmethyldoxepine + 8.2806225
-
ME146319
-
-
-
-
Digitoxigenin monodigitoxoside
-
ME146275
-
-
-
-
DIHYDRO-7-DESACETYLDEOXYGEDUNIN
-
ME147333
-
-
-
-
Dihydroceramide C2
-
ME147033
-
-
-
-
Dihydroceramide C2 + 12.6631565
-
ME147262
-
-
-
-
dihydrodigoxin
-
ME146818
-
-
-
-
D-Ribonolactone
-
ME147290
-
-
-
-
Esmolol
-
ME147957
-
-
-
-
Ethyldimethylaminopropyl Carbodiimide
-
ME145891
-
-
-
-
Ethyl Oxalacetate
-
ME145600
-
-
-
-
GABOXADOL
-
ME145551
-
-
-
-
GABOXADOL + 1.0455781
-
ME147675
-
-
-
-
Galabiosylceramide (d18:1/12:0)
-
ME147346
-
-
-
-
Galabiosylceramide (d18:1/12:0) + 13.636459
-
ME147426
-
-
-
-
Galabiosylceramide (d18:1/24:1(15Z))
-
ME147239
-
-
-
-
Galabiosylceramide (d18:1/24:1(15Z)) + 12.616024
-
ME147255
-
-
-
-
Gemeprost
-
ME146873
-
-
-
-
Gemeprost + 11.403224
-
ME146914
-
-
-
-
Gemeprost + 11.52469
-
ME146959
-
-
-
-
Gemeprost + 11.62228
-
ME146982
-
-
-
-
Gemeprost + 11.668265
-
ME146999
-
-
-
-
Gemeprost + 11.774193
-
ME147018
-
-
-
-
Gemeprost + 11.884415
-
ME147075
-
-
-
-
Gemeprost + 11.931488
-
ME147065
-
-
-
-
Gemeprost + 12.244673
-
ME147137
-
-
-
-
Glibornuride M5
-
ME146173
-
-
-
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]
-
ME147043
-
-
-
-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 12.3171625
-
ME147181
-
-
-
-
GPnCho(16:0/18:1(9Z))
-
ME147944
-
-
-
-
Hydroxynicorandil
-
ME145952
-
-
-
-
Idebenone Metabolite (Benzenehexanoic acid, 2,5-di...
-
ME148011
-
-
-
-
isoamyl nitrite
-
ME145503
-
-
-
-
isoamyl nitrite + 0.9043529
-
ME145509
-
-
-
-
isoamyl nitrite + 1.1509176
-
ME145570
-
-
-
-
isoamyl nitrite + 3.010901
-
ME147997
-
-
-
-
Isoquinoline N-oxide
-
ME146088
-
-
-
-
Isorenieratene/ (Leprotene)
-
ME147148
-
-
-
-
Ivermectin B1a
-
ME146864
-
-
-
-
Ivermectin B1a + 11.393579
-
ME146912
-
-
-
-
L-Alaninol
-
ME145651
-
-
-
-
L-a-Lysophosphatidylserine
-
ME146821
-
-
-
-
LEVULINIC ACID, 3-BENZYLIDENYL-
-
ME146943
-
-
-
-
LEVULINIC ACID, 3-BENZYLIDENYL- + 11.634378
-
ME146987
-
-
-
-
LEVULINIC ACID, 3-BENZYLIDENYL- + 11.718693
-
ME147008
-
-
-
-
L-gamma-Cyano-gamma-aminobutyric acid
-
ME145520
-
-
-
-
L-gamma-Cyano-gamma-aminobutyric acid + 0.87667257
-
ME147666
-
-
-
-
L-Glutamic acid dibutyl ester
-
ME146001
-
-
-
-
L-Glutamic acid dibutyl ester + 5.117508
-
ME146009
-
-
-
-
L-Glutamic acid dibutyl ester + 5.3325095
-
ME146026
-
-
-
-
L-Glutamic acid n-butyl ester
-
ME145678
-
-
-
-
L-Glutamic acid n-butyl ester + 4.359146
-
ME145945
-
-
-
-
LUPANYL ACID
-
ME146190
-
-
-
-
Meperidinic acid
-
ME145814
-
-
-
-
Meradimate
-
ME146312
-
-
-
-
Meradimate + 9.524543
-
ME146429
-
-
-
-
Meradimate + 9.760125
-
ME146511
-
-
-
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME146404
-
-
-
-
monodesmethyl chlorpheniramine
-
ME146247
-
-
-
-
N-Acetyltranexamic acid
-
ME147856
-
-
-
-
Nefopam
-
ME146187
-
-
-
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME147709
-
-
-
-
N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)
-
ME146462
-
-
-
-
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)
-
ME145708
-
-
-
-
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) ...
-
ME145711
-
-
-
-
N,N-Didemethylchlorpromazine
-
ME147691
-
-
-
-
NOMIFENSIN
-
ME146576
-
-
-
-
O-Methylisoetharine sulfate
-
ME146197
-
-
-
-
o-Monocarboxylfinasteride
-
ME146537
-
-
-
-
OXIBENDAZOLE
-
ME146487
-
-
-
-
Parahydroxyphenylacetic acid
-
ME145887
-
-
-
-
Pentazocine trans acid
-
ME146316
-
-
-
-
PEUCENIN
-
ME146271
-
-
-
-
PEUCENIN + 7.893574
-
ME146281
-
-
-
-
Phenytoin-N-glucuronide
-
ME145845
-
-
-
-
Pinacidil-N-Oxide
-
ME145736
-
-
-
-
Pindolol
-
ME147732
-
-
-
-
Pizotyline
-
ME145863
-
-
-
-
p-[N-Propyl-N-(3-hydroxypropyl)sulfamoyl]benzoic a...
-
ME146062
-
-
-
-
p-[N-Propyl-N-(3-hydroxypropyl)sulfamoyl]benzoic a...
-
ME146091
-
-
-
-
RETUSOQUINONE
-
ME146133
-
-
-
-
RETUSOQUINONE + 11.335004
-
ME146882
-
-
-
-
RETUSOQUINONE + 8.979002
-
ME146380
-
-
-
-
Ritodrine glucuronide
-
ME146119
-
-
-
-
Ritodrine glucuronide 2
-
ME147728
-
-
-
-
Tacrolimus metabolite M-VII
-
ME148057
-
-
-
-
Tetrahydrothiophene sulfoxide
-
ME146269
-
-
-
-
Tetrahydrothiophene sulfoxide + 7.8795595
-
ME146280
-
-
-
-
Tiletamine
-
ME145459
-
-
-
-
Tilorone
-
ME146984
-
-
-
-
Ubiquinone
-
ME146389
-
-
-
-
URSINIC ACID
-
ME145851
-
-
-
-
VALERYL SALYCILATE
-
ME146262
-
-
-
-
VALERYL SALYCILATE + 8.9726305
-
ME146374
-
-
-
-
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide
-
ME147425
-
-
-
-
Analysis: Reversed phase NEGATIVE ION MODE
Select
Metabolite Name
RefMet Name/Standardized Name*
WorkBenchMetabolite_ID
PubChemCompound_ID
Kegg Id
Retentiontime/index
m/z ratio
10-hydroxy capric acid
10-Hydroxydecanoic acid
ME148424
-
-
-
-
10-hydroxy capric acid - 8.75243
10-Hydroxydecanoic acid
ME148432
-
-
-
-
10-methyl-heptadecanoic acid
10-Methyl-heptadecanoic acid
ME148713
-
-
-
-
10-methyl-hexadecanoic acid
10-Methyl-hexadecanoic acid
ME148703
-
-
-
-
10-methyl-hexadecanoic acid - 14.706145
10-Methyl-hexadecanoic acid
ME148714
-
-
-
-
DL-12-hydroxy stearic acid
12-Hydroxy stearic acid
ME148562
-
-
-
-
DL-12-hydroxy stearic acid - 12.187582
12-Hydroxy stearic acid
ME148565
-
-
-
-
12-methyl-10-oxo-tridecanoic acid
12-Methyl-10-oxotridecanoic acid
ME148509
-
-
-
-
13E,17-octadecadienoic acid
13E,17-Octadecadienoic acid
ME148609
-
-
-
-
13E,17-octadecadienoic acid - 13.561291
13E,17-Octadecadienoic acid
ME148625
-
-
-
-
14-methyl-8E-hexadecenoic acid
14-Methyl-8E-hexadecenoic acid
ME148643
-
-
-
-
15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid
15,16-EpODE
ME148480
-
-
-
-
18-hydroxy-9S,10R-epoxy-stearic acid
18-Hydroxy-9S,10R-epoxy-stearic acid
ME148536
-
-
-
-
1-Hydroxy-2-naphthoic acid
1-Hydroxy-2-naphthoate
ME148742
-
-
-
-
2,4-DINITROPHENOL
2,4-Dinitrophenol
ME148391
-
-
-
-
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid
2E,5Z,8Z,11Z,14Z-Eicosapentaenoic acid
ME148576
-
-
-
-
a-hydroxyisovalerate
2-Hydroxy-3-methylbutyric acid
ME148308
-
-
-
-
a-hydroxybutyrate
2-Hydroxybutyric acid
ME148746
-
-
-
-
2-Hydroxyethinylestradiol
2-Hydroxyethinylestradiol
ME148465
-
-
-
-
2-Hydroxyethinylestradiol - 10.039457
2-Hydroxyethinylestradiol
ME148474
-
-
-
-
2-Hydroxyethinylestradiol - 10.153285
2-Hydroxyethinylestradiol
ME148485
-
-
-
-
2-Hydroxyethinylestradiol - 10.202765
2-Hydroxyethinylestradiol
ME148753
-
-
-
-
2-Hydroxyethinylestradiol - 10.31158
2-Hydroxyethinylestradiol
ME148489
-
-
-
-
2-Hydroxyethinylestradiol - 13.500651
2-Hydroxyethinylestradiol
ME148608
-
-
-
-
2-Hydroxyethinylestradiol - 14.172573
2-Hydroxyethinylestradiol
ME148666
-
-
-
-
2-Hydroxyethinylestradiol - 14.242135
2-Hydroxyethinylestradiol
ME148687
-
-
-
-
alpha-hydroxyisobutyrate
2-Hydroxyisobutyric acid
ME148294
-
-
-
-
alpha-hydroxyisobutyrate - 2.2955024
2-Hydroxyisobutyric acid
ME148299
-
-
-
-
docusate
2-Methylacetophenone
ME148515
-
-
-
-
2-methyl-tridecanedioic acid
2-Methyl-tridecanedioic acid
ME148434
-
-
-
-
2-propyl-tridecanoic acid
2-Propyl-tridecanoic acid
ME148627
-
-
-
-
2-propyl-tridecanoic acid - 14.184761
2-Propyl-tridecanoic acid
ME148669
-
-
-
-
2-propyl-tridecanoic acid - 14.1904745
2-Propyl-tridecanoic acid
ME148699
-
-
-
-
2-propyl-tridecanoic acid - 14.700806
2-Propyl-tridecanoic acid
ME148711
-
-
-
-
2,3-Dihydroxybenzoic acid
2-Pyrocatechuic acid
ME148340
-
-
-
-
3,9,15-Docosatriynoic acid
3,9,15-Docosatriynoic acid
ME148587
-
-
-
-
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid
3alpha,4beta-Dihydroxy-5beta-cholan-24-oic acid
ME148583
-
-
-
-
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid - ...
3alpha,4beta-Dihydroxy-5beta-cholan-24-oic acid
ME148586
-
-
-
-
3beta,4beta-Dihydroxy-5beta-cholan-24-oic Acid
3beta,4beta-Dihydroxy-5beta-cholan-24-oic acid
ME148577
-
-
-
-
m-Salicylic acid
3-Hydroxybenzoic acid
ME148377
-
-
-
-
DL-3-hydroxy caproic acid
3-Hydroxycaproic acid
ME148354
-
-
-
-
3-hydroxy-hexadecanoic acid
3-Hydroxyhexadecanoic acid
ME148573
-
-
-
-
3-hydroxy-hexadecanoic acid - 12.85509
3-Hydroxyhexadecanoic acid
ME148582
-
-
-
-
3-Methyl-2-oxovaleric acid
3-Methyl-2-oxovaleric acid
ME148322
-
-
-
-
3-Methyl-2-oxovaleric acid - 3.878426
3-Methyl-2-oxovaleric acid
ME148330
-
-
-
-
3-Methyl-2-oxovaleric acid - 5.345492
3-Methyl-2-oxovaleric acid
ME148373
-
-
-
-
3-methyl-heptanoic acid
3-Methyl-heptanoic acid
ME148433
-
-
-
-
3-Methylindole
3-Methylindole
ME148384
-
-
-
-
3-methyl-nonanoic acid
3-Methyl-nonanoic acid
ME148495
-
-
-
-
3-Methylpimelic acid
3-Methylpimelic acid
ME148364
-
-
-
-
3-Methylsuberic acid
3-Methylsuberic acid
ME148374
-
-
-
-
3-Methylsuberic acid - 5.7497506
3-Methylsuberic acid
ME148381
-
-
-
-
4,7,10,13,16-docosapentaenoic acid
4,7,10,13,16-Docosapentaenoic acid
ME148604
-
-
-
-
4,7,10,13,16-docosapentaenoic acid - 13.672926
4,7,10,13,16-Docosapentaenoic acid
ME148637
-
-
-
-
4,7,10,13-docosatetraenoic acid
4,7,10,13-Docosatetraenoic acid
ME148652
-
-
-
-
4,8-dimethyl-dodecanoic acid
4,8-Dimethyl-dodecanoic acid
ME148590
-
-
-
-
4-Hydroxybenzenesulfonic acid
4-Hydroxybenzenesulfonic acid
ME148329
-
-
-
-
4Z,7Z,10Z,13Z-eicosatetraenoic acid
4Z,7Z,10Z,13Z-Eicosatetraenoic acid
ME148602
-
-
-
-
5,11-Eicosadienoic acid
5,11-Eicosadienoic acid
ME148701
-
-
-
-
5beta-Androstan-3alpha-ol-17-one sulfate
5beta-Androstan-3alpha-ol-17-one sulfate
ME148387
-
-
-
-
5beta-Androstan-3alpha-ol-17-one sulfate - 7.16334...
5beta-Androstan-3alpha-ol-17-one sulfate
ME148408
-
-
-
-
5beta-Androstan-3alpha-ol-17-one sulfate - 7.35629...
5beta-Androstan-3alpha-ol-17-one sulfate
ME148411
-
-
-
-
5beta-Androstan-3alpha-ol-17-one sulfate - 7.79875...
5beta-Androstan-3alpha-ol-17-one sulfate
ME148417
-
-
-
-
5-Methoxyindoleacetate
5-Methoxyindoleacetic acid
ME148371
-
-
-
-
5-methyl-2E-tridecenoic acid
5-Methyl-2E-tridecenoic acid
ME148564
-
-
-
-
6-Hydroxynicotinic acid
6-Hydroxynicotinic acid
ME148386
-
-
-
-
5-octadecylenic acid
6-Octadecylenic acid
ME148684
-
-
-
-
7-palmitoleic acid
7-Palmitoleic acid
ME148597
-
-
-
-
7-palmitoleic acid - 13.36762
7-Palmitoleic acid
ME148603
-
-
-
-
9,12,14-octadecatrienoic acid
9,12,14-Octadecatrienoic acid
ME148580
-
-
-
-
9,12,14-octadecatrienoic acid - 12.907056
9,12,14-Octadecatrienoic acid
ME148585
-
-
-
-
9R-hydroxy-12E-octadecenoic acid
9R-HOME(12E)
ME148529
-
-
-
-
9R-hydroxy-12E-octadecenoic acid - 11.299293
9R-HOME(12E)
ME148542
-
-
-
-
9R-hydroxy-12E-octadecenoic acid - 12.092731
9R-HOME(12E)
ME148563
-
-
-
-
9R-hydroxy-12E-octadecenoic acid - 12.186865
9R-HOME(12E)
ME148566
-
-
-
-
9R-hydroxy-12E-octadecenoic acid - 12.346562
9R-HOME(12E)
ME148568
-
-
-
-
9R-hydroxy-12E-octadecenoic acid - 12.434561
9R-HOME(12E)
ME148570
-
-
-
-
Acetoacetic acid
Acetoacetic acid
ME148249
-
-
-
-
Arg Ala Phe
Arg-Ala-Phe
ME148676
-
-
-
-
Arg Asn Gln
Arg-Asn-Gln
ME148618
-
-
-
-
Arg Phe Arg
Arg-Phe-Arg
ME148492
-
-
-
-
Arg Phe Arg - 10.657936
Arg-Phe-Arg
ME148506
-
-
-
-
Benzyl alcohol
Benzyl alcohol
ME148347
-
-
-
-
beta-Alanine
beta-Alanine
ME148734
-
-
-
-
Bilirubin
Bilirubin
ME148718
-
-
-
-
Biliverdin IX
Biliverdin
ME148445
-
-
-
-
Castasterone
Castasterone
ME148639
-
-
-
-
Pyrocatechol sulfate
Catechol sulfate
ME148310
-
-
-
-
Chloral hydrate
Chloral hydrate
ME148210
-
-
-
-
CITROPTEN
Citropten
ME148241
-
-
-
-
clavulone I
Clavulone I
ME148504
-
-
-
-
clavulone I - 10.785447
Clavulone I
ME148513
-
-
-
-
clavulone I - 10.858965
Clavulone I
ME148521
-
-
-
-
Creatinine
Creatinine
ME148260
-
-
-
-
Desmosine
Desmosine
ME148497
-
-
-
-
Desmosine - 14.067394
Desmosine
ME148655
-
-
-
-
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerol
DG 20:3_20:3
ME148628
-
-
-
-
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapen...
DG 22:1_22:5
ME148710
-
-
-
-
D-Homoserine
D-Homoserine
ME148731
-
-
-
-
Dihydroxyacetone (glycerone)
Dihydroxyacetone
ME148244
-
-
-
-
Dihydroxyacetone (glycerone) - 1.1726536
Dihydroxyacetone
ME148281
-
-
-
-
Dodecanedioic acid
Dodecanedioic acid
ME148416
-
-
-
-
p-HYDROXYCINNAMALDEHYDE
(E)-3-(4-Hydroxyphenyl)-2-propenal
ME148747
-
-
-
-
Ellagic acid
Ellagic acid
ME148133
-
-
-
-
Embelin
Embelin
ME148438
-
-
-
-
Embelin - 13.117974
Embelin
ME148589
-
-
-
-
Embelin - 13.381417
Embelin
ME148599
-
-
-
-
Embelin - 13.56923
Embelin
ME148615
-
-
-
-
Embelin - 14.03012
Embelin
ME148674
-
-
-
-
Embelin - 14.221526
Embelin
ME148686
-
-
-
-
Embelin - 14.70403
Embelin
ME148715
-
-
-
-
Embelin - 9.613076
Embelin
ME148455
-
-
-
-
Gemfibrozil M2
Gemfibrozil
ME148541
-
-
-
-
Gemfibrozil M2 - 11.328346
Gemfibrozil
ME148547
-
-
-
-
Gln Trp Gln
Gln-Trp-Gln
ME148458
-
-
-
-
Glucoheptonic acid
Glucoheptonic acid
ME148748
-
-
-
-
Sedoheptulose
Glucoheptulose
ME148789
-
-
-
-
D-Glucose
Glucose
ME148321
-
-
-
-
Glu Tyr Thr
Glu-Tyr-Thr
ME148503
-
-
-
-
Glu Tyr Thr - 10.902022
Glu-Tyr-Thr
ME148523
-
-
-
-
glyceraldehyde
Glyceraldehyde
ME148774
-
-
-
-
Glycolaldehyde
Glycolaldehyde
ME148293
-
-
-
-
Glycolaldehyde - 0.89615333
Glycolaldehyde
ME148732
-
-
-
-
Glycolic acid
Glycolic acid
ME148250
-
-
-
-
Glycoursodeoxycholic acid
Glycoursodeoxycholic acid
ME148430
-
-
-
-
Glycoursodeoxycholic acid - 8.816427
Glycoursodeoxycholic acid
ME148779
-
-
-
-
Guaiacol
Guaiacol
ME148342
-
-
-
-
Gulonic acid
Gulonic acid
ME148729
-
-
-
-
Hexacosanedioic acid
Hexacosanedioic acid
ME148704
-
-
-
-
Hexadecanedioic acid
Hexadecanedioic acid
ME148479
-
-
-
-
Hippuric acid
Hippuric acid
ME148338
-
-
-
-
Histidine
Histidine
ME148207
-
-
-
-
Homoarginine
Homoarginine
ME148778
-
-
-
-
Ile Trp Tyr
Ile-Trp-Tyr
ME148399
-
-
-
-
Indole
Indole
ME148315
-
-
-
-
Indoxylsulfuric acid
Indoxyl sulfate
ME148336
-
-
-
-
Isoacitretin
Isoacitretin
ME148491
-
-
-
-
Isoacitretin - 10.62412
Isoacitretin
ME148505
-
-
-
-
Isoacitretin - 10.732019
Isoacitretin
ME148512
-
-
-
-
Isoacitretin - 10.798786
Isoacitretin
ME148516
-
-
-
-
Isoacitretin - 10.902054
Isoacitretin
ME148522
-
-
-
-
Isoacitretin - 14.245813
Isoacitretin
ME148690
-
-
-
-
Isoarachidic acid
Isoarachidic acid
ME148706
-
-
-
-
Isoleucine
Isoleucine
ME148296
-
-
-
-
Isopentadecylic acid
Isopentadecylic acid
ME148606
-
-
-
-
Isopentadecylic acid - 13.64712
Isopentadecylic acid
ME148635
-
-
-
-
ISOPIMPINELLIN
Isopimpinellin
ME148380
-
-
-
-
KOBUSONE
Kobusone
ME148440
-
-
-
-
KOBUSONE - 11.034212
Kobusone
ME148526
-
-
-
-
D-Phenyllactic acid
L-3-Phenyllactic acid
ME148379
-
-
-
-
Lactate
Lactic acid
ME148739
-
-
-
-
Lauric acid
Lauric acid
ME148557
-
-
-
-
Leucine
Leucine
ME148291
-
-
-
-
Leucine - 2.2892022
Leucine
ME148301
-
-
-
-
Leu Tyr Met
Leu-Tyr-Met
ME148395
-
-
-
-
Loroxanthin ester/ Loroxanthin dodecenoate
Loroxanthin dodecenoate
ME148712
-
-
-
-
Lys Trp Arg
Lys-Trp-Arg
ME148579
-
-
-
-
Methionine
Methionine
ME148282
-
-
-
-
Met His Lys
Met-His-Lys
ME148388
-
-
-
-
Methyl jasmonate
Methyl jasmonate
ME148444
-
-
-
-
Murocholic acid
Murideoxycholic acid
ME148478
-
-
-
-
N-Acetylarylamine
N-Acetylarylamine
ME148277
-
-
-
-
L-Norleucine
Norleucine
ME148791
-
-
-
-
O-Desmethylnaproxen
O-Desmethylnaproxen
ME148295
-
-
-
-
O-Desmethylnaproxen - 2.3228056
O-Desmethylnaproxen
ME148300
-
-
-
-
OSTHOL
Osthole
ME148326
-
-
-
-
Panaxytriol
Panaxytriol
ME148561
-
-
-
-
Panaxytriol - 11.984834
Panaxytriol
ME148756
-
-
-
-
Penicillin G
Penicillin G
ME148286
-
-
-
-
Phe Arg Ser
Phe-Arg-Ser
ME148392
-
-
-
-
Phenol
Phenol
ME148328
-
-
-
-
Phenol - 5.4432707
Phenol
ME148378
-
-
-
-
Phensuximide
Phensuximide
ME148397
-
-
-
-
Phe Pro Arg
Phe-Pro-Arg
ME148696
-
-
-
-
Pregnenolone sulfate
Pregnenolone sulfate
ME148418
-
-
-
-
Procarbazine
Procarbazine
ME148439
-
-
-
-
Proline
Proline
ME148262
-
-
-
-
PROTOVERATRINE B
Protoveratrine B
ME148229
-
-
-
-
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))
PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)
ME148535
-
-
-
-
Purine
Purine
ME148259
-
-
-
-
Pyrocatechol
Pyrocatechol
ME148309
-
-
-
-
Pyrocatechol - 4.3859496
Pyrocatechol
ME148339
-
-
-
-
Pyroglutamic acid
Pyroglutamic acid
ME148273
-
-
-
-
Methylglyoxal
Pyruvaldehyde
ME148248
-
-
-
-
Methylglyoxal - 1.1846838
Pyruvaldehyde
ME148285
-
-
-
-
Pyruvic acid
Pyruvic acid
ME148255
-
-
-
-
Pyruvic acid - 1.1770045
Pyruvic acid
ME148283
-
-
-
-
5Z,11Z,14Z-eicosatrienoic acid
Sciadonic acid
ME148641
-
-
-
-
Stearic acid
Stearic acid
ME148552
-
-
-
-
Stearic acid - 13.633164
Stearic acid
ME148631
-
-
-
-
Stearic acid - 14.151329
Stearic acid
ME148665
-
-
-
-
Sulfate
Sulfate
ME148733
-
-
-
-
Teasterone
Teasterone
ME148658
-
-
-
-
Testosterone sulfate
Testosterone sulfate
ME148402
-
-
-
-
Tetrahydrofuran
Tetrahydrofuran
ME148324
-
-
-
-
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[...
TG 16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)
ME148660
-
-
-
-
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[...
TG 16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)*
ME148698
-
-
-
-
TG(16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))[...
TG 16:1(9Z)/18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)*
ME148717
-
-
-
-
Thr Met Arg
Thr-Met-Arg
ME148400
-
-
-
-
thyrotropin releasing hormone
Thyrotropin releasing hormone
ME148442
-
-
-
-
Tryptophan
Tryptophan
ME148314
-
-
-
-
Tyr Arg Leu
Tyr-Arg-Leu
ME148469
-
-
-
-
Tyrosine
Tyrosine
ME148745
-
-
-
-
Uric acid
Uric acid
ME148271
-
-
-
-
Uridine
Uridine
ME148284
-
-
-
-
Valine
Valine
ME148267
-
-
-
-
1-[[2-(2,3-dihydro-2-oxo-1H-indol-4-yl)ethyl]propy...
-
ME148412
-
-
-
-
1,2-Glyceryl dinitrate glucuronide
-
ME148287
-
-
-
-
17a-Ethynylestradiol 16-glucuronide
-
ME148401
-
-
-
-
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate
-
ME148383
-
-
-
-
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...
-
ME148675
-
-
-
-
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...
-
ME148796
-
-
-
-
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...
-
ME148707
-
-
-
-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...
-
ME148636
-
-
-
-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...
-
ME148758
-
-
-
-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...
-
ME148644
-
-
-
-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...
-
ME148574
-
-
-
-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...
-
ME148634
-
-
-
-
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...
-
ME148757
-
-
-
-
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic a...
-
ME148146
-
-
-
-
2-amino-4'-hydroxy-Propiophenone
-
ME148305
-
-
-
-
2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]-
-
ME148793
-
-
-
-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid
-
ME148415
-
-
-
-
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE
-
ME148425
-
-
-
-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid
-
ME148307
-
-
-
-
3R-hydroxy-octanoic acid
-
ME148389
-
-
-
-
3R-hydroxy-octanoic acid - 7.0250587
-
ME148407
-
-
-
-
4'-Apo-3,4-didehydrolycopene/ (4-Apo-3',4'-didehyd...
-
ME148578
-
-
-
-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...
-
ME148456
-
-
-
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME148473
-
-
-
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME148481
-
-
-
-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...
-
ME148488
-
-
-
-
7-hydroxy Tetranor Iloprost
-
ME148470
-
-
-
-
B-ureidoisobutyric acid
-
ME148233
-
-
-
-
BUTACAINE
-
ME148629
-
-
-
-
D1-2-Hydroxymethylethisterone
-
ME148519
-
-
-
-
D1-2-Hydroxymethylethisterone - 11.059013
-
ME148525
-
-
-
-
D1-2-Hydroxymethylethisterone - 11.200728
-
ME148534
-
-
-
-
D1-2-Hydroxymethylethisterone - 11.317418
-
ME148544
-
-
-
-
D1-2-Hydroxymethylethisterone - 11.361438
-
ME148546
-
-
-
-
D1-2-Hydroxymethylethisterone - 11.482383
-
ME148549
-
-
-
-
D1-2-Hydroxymethylethisterone - 13.49303
-
ME148607
-
-
-
-
D1-2-Hydroxymethylethisterone - 14.157091
-
ME148661
-
-
-
-
D1-2-Hydroxymethylethisterone - 14.2670965
-
ME148691
-
-
-
-
desethyletomidate
-
ME148777
-
-
-
-
desmethylnortriptyline glucuronide
-
ME148531
-
-
-
-
DL-13-hydroxy stearic acid
-
ME148559
-
-
-
-
gamma-Hydroxyphenylbutazone glucuronide
-
ME148453
-
-
-
-
Idebenone Metabolite (Benzenedecanoic acid, 2,5-di...
-
ME148499
-
-
-
-
Isoquinoline N-oxide
-
ME148382
-
-
-
-
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...
-
ME148486
-
-
-
-
Monensin
-
ME148672
-
-
-
-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine
-
ME148337
-
-
-
-
NIMUSTINE
-
ME148311
-
-
-
-
O-BENZYL-l-SERINE
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ME148457
-
-
-
-
Parahydroxyphenylacetic acid
-
ME148343
-
-
-
-
Pregnanolone sulfate
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ME148409
-
-
-
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Sodium tetradecyl sulfate
-
ME148517
-
-
-
-
TRIDESACETOXYKHIVORIN
-
ME148533
-
-
-
-
UCSD Metabolomics Workbench, a resource sponsored by the Common Fund of the National Institutes of Health
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