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Analysis: HILIC POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho...2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acidME142405----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME142406----
AcenocoumarolAcenocoumarolME142410----
p-Acetamidophenol (Acetaminophen, Tylenol)-ME142412----
INDOLE-3-CARBINOLIndole-3-carbinolME142416----
Lanthionine ketimine-ME142418----
o-Hydroxyaniline2-AminophenolME142419----
4-Hydroxybenzyl cyanide4-HydroxybenzeneacetonitrileME142420----
LamivudineLamivudineME142422----
Anandamide (20:2, n-6)Eicosadienoyl-EAME142424----
4-Hydroxypyridine4-PyridoneME142430----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 0....12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME142431----
(3S,4R,3'R)-4-Hydroxyalloxanthin-ME142434----
p-Hydroxyaniline4-AminophenolME142439----
4,7,10,13,16-docosapentaenoic acid4,7,10,13,16-Docosapentaenoic acidME142446----
AndrosteroneAndrosteroneME142449----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 0....12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME142457----
8,11,14-nonadecatriynoic acid-ME142458----
PROPARGITEPropargiteME142460----
Trp Trp HisTrp-Trp-HisME142479----
21-Hydroxydydrogesterone-ME142480----
GPGro(18:0/18:0)[U]PG 18:0/18:0ME142486----
Terephthalic acidTerephthalic acidME142496----
7,12-Dioxo-5beta-cholan-24-oic Acid7,12-Dioxo-5beta-cholan-24-oic acidME142503----
Phthalic acid Mono-2-ethylhexyl EsterMonoethylhexyl phthalic acidME142504----
25-hydroxy-26,27-dimethylvitamin D3 / 25-hydroxy-2...25-Hydroxy-26,27-dimethylvitamin D3ME142505----
LEVULINIC ACID, 3-BENZYLIDENYL--ME142508----
ISOSAFROLEIsosafroleME142512----
Anandamide (20:5, n-3)Eicosapentenoyl-EAME142515----
3,6,8-dodecatrien-1-ol3,6,8-Dodecatrien-1-olME142516----
9-lauroleic acid9-Dodecenoic acidME142519----
SorbaldehydeSorbaldehydeME142521----
Limonene-1,2-epoxideLimonene-1,2-epoxideME142526----
PropofolPropofolME142527----
3-tert-butyl-3-butenoic acid3-tert-Butyl-3-butenoic acidME142528----
2,4-octadienal(E,E)-2,4-OctadienalME142532----
BilirubinBilirubinME142535----
4-dodecynoic acid4-Dodecynoic acidME142537----
3-Methyl-3Z-Pentenoic Acid3-Methyl-3Z-pentenoic acidME142538----
8R-hydroxy-9Z-octadecenoic acid-ME142547----
6-[3]-ladderane-1-hexanol6-[3]-Ladderane-1-hexanolME142552----
9,13-dihydroxy-11-octadecenoic acid9,13-DiHOME(11)ME142553----
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME142554----
10,12,15-octadecatrienoic acid10,12,15-Octadecatrienoic acidME142558----
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...DG 16:1_17:2ME142559----
13S-hydroxy-9E,11Z-octadecadienoic acid-ME142562----
6alpha-Hydroxycastasterone6alpha-HydroxycastasteroneME142564----
7,8-dihydroxy stearic acid7,8-Dihydroxy stearic acidME142565----
Trihydroxycoprostanoic acidTrihydroxycoprostanoic acidME142570----
6,9,12-hexadecatrienoic acid6,9,12-hexadecatrienoic acidME142574----
14-hydroxy-12-tetradecenoic acid14-Hydroxy-12-tetradecenoic acidME142575----
KOBUSONEKobusoneME142582----
CARYLOPHYLLENE OXIDE-ME142585----
(+/-)5,6-DiHETrE5,6-DiHETrEME142590----
1-octadecanoyl-rac-glycerolMG 18:0ME142593----
2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME142596----
AnhydrorhodovibrinAnhydrorhodovibrinME142597----
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acidME142603----
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...-ME142610----
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1al...-ME142620----
3,6-octadecadiynoic acid3,6-Octadecadiynoic acidME142623----
Phosphoric acidPhosphoric acidME142625----
1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16...-ME142626----
Clozapine-N-Oxide-ME142631----
12-oxo-10Z-dodecenoic acid12-Oxo-10Z-dodecenoic acidME142636----
9-deoxy-9-methylene-16,16-dimethyl -PGE29-Deoxy-9-methylene-16,16-dimethyl -PGE2ME142638----
1-hexadecanoyl-sn-glycerolMG 16:0/0:0/0:0ME142639----
2,5-decadienoic acid2,5-Decadienoic acidME142645----
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid16-HpOTrEME142650----
3R-hydroxy-5Z-dodecenoic acid3R-Hydroxy-5Z-dodecenoic acidME142653----
4-hydroxy pelargonic acid4-Hydroxypelargonic acidME142657----
1-(9Z,12Z-octadecadienoyl)-rac-glycerolMG 18:2ME142658----
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...-ME142661----
GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME142670----
ISOSAFROLE + 1.0903074IsosafroleME142672----
1-Phenyl-2-(diethylamino)-1-propanol-ME142673----
HematoporphyrinHematoporphyrinME142676----
Trihydroxycoprostanoic acid + 1.1183053Trihydroxycoprostanoic acidME142680----
LTB4 ethanol amideLTB4 ethanol amideME142681----
NalorphineNalorphineME142682----
12-oxo-9-octadecynoic acid12-Oxo-9-octadecynoic acidME142684----
8R-hydroxy-9Z-octadecenoic acid + 1.1164917-ME142686----
BrassinolideBrassinolideME142689----
3,4-Dehydrolycopene/ 3,4-Didehydrolycopene-ME142691----
alpha-Ketopantoic acid2-Dehydropantoic acidME142698----
Lys His MetLys-His-MetME142699----
Phenylmethyl methyl ketonePhenylacetoneME142700----
N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)-ME142702----
OXYQUINOLINEQuinolin-8-olME142703----
LevamisoleLevamisoleME142707----
3-Indolepropionic acid3-Indolepropionic acidME142708----
4,7,10,13-hexadecatetraenoic acid4,7,10,13-Hexadecatetraenoic acidME142710----
1-(11E-octadecenoyl)-rac-glycerolMG 18:1ME142711----
8-methoxy-13-hydroxy-9,11-octadecadienoic acid8-Methoxy-13-hydroxy-9,11-octadecadienoic acidME142719----
(22E,24E,24bE)-1alpha,25-dihydroxy-26,27-dimethyl-...-ME142723----
Bilirubin + 1.1141803BilirubinME142726----
NorcodeineNorcodeineME142727----
(20S)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydr...-ME142729----
Allocortol-ME142731----
PGF2alpha isopropyl esterPGF2alpha isopropyl esterME142732----
IsoquinolineIsoquinolineME142735----
3-Indoleacetic AcidIndoleacetic acidME142742----
(+/-)5,6-DiHETrE + 1.15817835,6-DiHETrEME142743----
Ubiquinone-ME142745----
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phen...-ME142749----
PGI3PGI3ME142752----
VALERYL SALYCILATE-ME142756----
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...-ME142757----
10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid-ME142759----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]NPPBME142768----
N-(2-fluro-ethyl)-eicosanoyl amine-ME142774----
HYDROLYSIS PRODUCT OF BUSSEIN-ME142777----
OXYQUINOLINE + 1.1660604Quinolin-8-olME142779----
deschlorobenzoyl Indomethacin-ME142780----
1alpha,25-dihydroxy-16,17-didehydrovitamin D_3 / 1...-ME142787----
Biliverdin IXBiliverdinME142795----
Leu ThrLeu-ThrME142798----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 1....12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME142799----
3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME142800----
LeupeptinLeupeptinME142803----
hexaneHexaneME142806----
5,7-nonadienoic acid5,7-Nonadienoic acidME142807----
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentolME142809----
3,5-hexadienoic acid3,5-Hexadienoic acidME142812----
N-propyl-16,16-dimethyl-5Z,8Z,11Z,14Z-docosatetrae...-ME142813----
(23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D...-ME142815----
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...-ME142816----
4,8,12,15,19,21-tetracosahexaenoic acid4,8,12,15,19,21-Tetracosahexaenoic acidME142822----
Tyr Tyr ThrTyr-Tyr-ThrME142824----
Trp Arg GlyTrp-Arg-GlyME142825----
20beta-Dihydroprednisolone-ME142841----
Ile AlaIle-AlaME142852----
2-Butanone-ME142853----
Sorbaldehyde + 1.2041405SorbaldehydeME142863----
OxymorphoneOxymorphoneME142865----
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME142866----
L-Glutamic acid n-butyl ester-ME142867----
n-Hexanoic AcidCaproic acidME142870----
PilocarpinePilocarpineME142874----
Tyr ProTyr-ProME142875----
L-gamma-Cyano-gamma-aminobutyric acid-ME142876----
Ritodrine glucuronide-ME142881----
PyridinePyridineME142883----
TUBAIC ACID-ME142885----
PivampicillinPivampicillinME142895----
3-Methyl-3Z-Pentenoic Acid + 1.26621843-Methyl-3Z-pentenoic acidME142898----
n-methylnicotinamideN-MethylnicotinamideME142901----
CarbarylCarbarylME142902----
VigabatrinVigabatrinME142904----
Glutaral (Glutaraldehyde)GlutaralME142905----
GANGALEOIDIN-ME142907----
n-methylnicotinamide + 1.3655726N-MethylnicotinamideME142912----
AcetamideAcetamideME142917----
ACECLIDINEAceclidineME142919----
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME142922----
D-GlucoseGlucoseME142925----
L-UrobilinL-UrobilinME142935----
NevirapineNevirapineME142937----
5-Acetyl-4-methylthiazole5-Acetyl-4-methylthiazoleME142946----
HYDROLYSIS PRODUCT OF BUSSEIN + 1.4997364-ME142947----
ARECOLINEArecolineME142950----
DiacetylDiacetylME142951----
Biliverdin IX + 1.5380905BiliverdinME142954----
Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phen...-ME142955----
ciclopiroxCiclopiroxME142957----
PyridoxaminePyridoxamineME142963----
2-Pyrrolidinone2-PyrrolidinoneME142966----
UracilUracilME142970----
Biliverdin IX + 1.6137809BiliverdinME142975----
D-Leucic acidD-Leucic acidME142976----
AcetoinAcetoinME142979----
copper gluconate-ME142980----
Tranexamic acidTranexamic acidME142983----
Urocanic acidUrocanic acidME142984----
TriparanolTriparanolME142985----
Lys Trp ProLys-Trp-ProME142990----
DimethylglycineDimethylglycineME142995----
D-Leucic acid + 1.775536D-Leucic acidME142996----
Acetoin + 1.7575139AcetoinME142998----
1-Naphthylmethanol-ME143000----
Trimethylamine N-oxideTrimethylamine N-oxideME143001----
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-n...-ME143003----
dimethyl sulfoxideDimethyl sulfoxideME143005----
6,8-dihydroxy-octanoic acid6,8-Dihydroxyoctanoic acidME143007----
2-Methylbutyrylglycine2-MethylbutyrylglycineME143008----
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)-ME143012----
2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cho...2beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acidME143015----
p-Aminobenzoic acidp-Aminobenzoic acidME143017----
UreaUreaME143018----
Ethylene glycolEthylene glycolME143019----
7-Hydroxymethotrexate7-HydroxymethotrexateME143020----
ProlineProlineME143023----
Biliverdin IX + 1.9856964BiliverdinME143025----
20alpha-Dihydroprednisolone20alpha-dihydroprednisoloneME143027----
HYDROLYSIS PRODUCT OF BUSSEIN + 1.9920721-ME143030----
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-n...-ME143031----
Nalidixic acidNalidixic acidME143038----
QUERCETIN TETRAMETHYL (5,7,3',4') ETHER-ME143040----
cefamandole nafate-ME143042----
Quinic acidQuinic acidME143045----
L-4-Hydroxy-3-methoxy-a-methylphenylalanine-ME143047----
Cys Ile HisCys-Ile-HisME143052----
6-hydroxy-2-hexynoic acid6-Hydroxy-2-hexynoic acidME143057----
Gly Gly GlyGly-Gly-GlyME143058----
7-Desmethylprazosin-ME143059----
His Thr AsnHis-Thr-AsnME143068----
DiazepamDiazepamME143070----
2-Pyrrolidinone + 2.04122952-PyrrolidinoneME143076----
1(2H)-Naphthalenone, 4-(3,4-dichlorophenyl)-3,4-di...-ME143079----
2-Methylbutyrylglycine + 2.06581282-MethylbutyrylglycineME143082----
Ethanolamine phosphate (Phosphoethanolamine)PhosphoethanolamineME143084----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 2...NPPBME143088----
4-Nitroquinoline-1-oxide4-Nitroquinoline N-oxideME143090----
AcipimoxAcipimoxME143091----
UridineUridineME143093----
3-NitrotyrosineNitrotyrosineME143095----
Pyrazinoic acidPyrazine-2-carboxylic ccidME143096----
CytosineCytosineME143101----
GPEtn(18:1(11Z)/18:1(9Z))[U]PE 18:1(11Z)/18:1(9Z)ME143102----
Urocanic acid + 2.3597238Urocanic acidME143116----
CreatinineCreatinineME143117----
1-Methylinosine1-MethylinosineME143119----
2-Hydroxyiminodibenzyl2-HydroxyiminodibenzylME143121----
beta-vinyl acrylic acidbeta-Vinyl acrylic acidME143122----
Pantothenic AcidPantothenic acidME143125----
GPEtn(18:1(11Z)/18:1(9Z))[U] + 2.466392PE 18:1(11Z)/18:1(9Z)ME143127----
3-oxo-4-pentenoic acid3-Oxo-4-pentenoic acidME143131----
Hydroxyhydroquinone1,2,4-TrihydroxybenzeneME143132----
QuinoneQuinoneME143136----
2-Hydroxyadipic acid2-Hydroxyadipic acidME143137----
1-Hexadecylamine1-HexadecylamineME143139----
MethylglyoxalPyruvaldehydeME143140----
allopurinolAllopurinolME143142----
Urocanic acid + 2.7073207Urocanic acidME143146----
2-Hydroxyadipic acid + 2.66452862-Hydroxyadipic acidME143147----
beta-vinyl acrylic acid + 2.6757517beta-Vinyl acrylic acidME143150----
L-2-Aminoadipic acidAminoadipic acidME143151----
3-oxo-4-pentenoic acid + 2.6680393-Oxo-4-pentenoic acidME143152----
4-Aminophenyl 1-thio-beta-D-glucuronide-ME143153----
Hydroxyhydroquinone + 2.67834571,2,4-TrihydroxybenzeneME143155----
Acetoacetic acidAcetoacetic acidME143156----
Methylglyoxal + 2.6778965PyruvaldehydeME143157----
Diacetyl + 2.6585124DiacetylME143160----
2-Hydroxyadipic acid + 2.71959042-Hydroxyadipic acidME143161----
Quinone + 2.6753414QuinoneME143163----
(E)-2-Methylglutaconic acid2-Methylglutaconic acidME143164----
PerphenazinePerphenazineME143167----
ISOPIMPINELLINIsopimpinellinME143170----
3-(a-Naphthoxy)lactic acid glucuronide-ME143171----
PhenolPhenolME143173----
3-Methoxy-4-hydroxyphenylglycolVanylglycolME143174----
4-Aminophenyl 1-thio-beta-D-glucuronide + 2.732670...-ME143175----
Acetoacetic acid + 2.6694648Acetoacetic acidME143176----
2,4-Diamino-6,7-dimethoxyquinazoline-ME143178----
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phen...-ME143183----
5-Methylthioribose5-MethylthioriboseME143184----
2-Oxovaleric acidOxovaleric acidME143185----
4-Aminophenyl 1-thio-beta-D-glucuronide + 2.727820...-ME143187----
2-Pyrrolidinone + 2.78775672-PyrrolidinoneME143190----
3-Hydroxyphenytoin-ME143192----
ThreonateThreonic acidME143194----
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME143195----
4-Amino-m-cresol-ME143198----
AdenineAdenineME143199----
Neuraminic acidNeuraminic acidME143200----
TiglylglycineTiglylglycineME143201----
Chloramphenicol alcohol-ME143202----
CadaverineCadaverineME143203----
GPIns(16:0/18:1(9Z))PI 16:0/18:1(9Z)ME143209----
5-Ethyl-5-(1-methyl-3-carboxypropyl)barbituric aci...-ME143211----
5,8-Dihydroxy-3,4-dihydrocarbostyril5,8-Dihydroxy-3,4-dihydrocarbostyrilME143213----
2-hydroxypyridine2-HydroxypyridineME143214----
1-Methylguanosine1-MethylguanosineME143215----
GPIns(16:0/18:1(9Z)) + 3.1299436PI 16:0/18:1(9Z)ME143218----
N-Acetyl-beta-D-mannosamineN-Acetyl-mannosamineME143220----
2-Methylbutyrylglycine + 3.18553382-MethylbutyrylglycineME143221----
DALBERGIONE, 4-METHOXY-4'-HYDROXY--ME143222----
Propionylglycine methyl ester-ME143223----
Tauroursodeoxycholic acidTauroursodeoxycholic acidME143224----
MethionineMethionineME143226----
2-Pyrrolidinone + 3.24432422-PyrrolidinoneME143227----
Urocanic acid + 3.2579272Urocanic acidME143230----
Tetrahydrothiophene sulfoxide-ME143231----
Hydrocortisone succinateHydrocortisone succinateME143232----
Trp Tyr TyrTrp-Tyr-TyrME143233----
ANCITABINEAncitabineME143237----
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME143238----
Cytosine + 3.3837235CytosineME143239----
BenserazideBenserazideME143240----
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME143241----
Phe LeuPhe-LeuME143242----
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...-ME143245----
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...-ME143250----
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...-ME143255----
1-Methylguanine1-MethylguanineME143256----
1-Hexadecylamine + 3.68469361-HexadecylamineME143257----
2-Pyrrolidinone + 3.74294162-PyrrolidinoneME143261----
Phe Leu + 3.7518454Phe-LeuME143263----
FENDILINE-ME143271----
Vigabatrin + 3.9067154VigabatrinME143274----
FENDILINE + 3.8905377-ME143277----
Cytosine + 3.9137423CytosineME143278----
3-Methyldioxyindole3-MethyldioxyindoleME143280----
Bilirubin + 3.9510157BilirubinME143282----
Creatinine + 3.973352CreatinineME143284----
N-Didesethylquinagolide sulfate-ME143291----
B-ureidoisobutyric acid-ME143304----
NetilmicinNetilmicinME143306----
IsoleucineIsoleucineME143313----
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))-ME143315----
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...-ME143318----
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...-ME143320----
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME143330----
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]PE 18:0/20:4(5Z,8Z,11Z,14Z)*ME143331----
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME143335----
9-amino-nonanoic acid9-Aminononanoic acidME143339----
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]PE 18:0/18:3(9Z,12Z,15Z)*ME143344----
9-amino-nonanoic acid + 4.6057449-Aminononanoic acidME143362----
N,N-dimethylhistidineN,N-DimethylhistidineME143366----
EthosuximideEthosuximideME143377----
Tranexamic acid + 4.7597632Tranexamic acidME143378----
Bis (2-hydroxypropyl) amine-ME143380----
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME143382----
Pentazocine cis-alcohol-ME143383----
5-(hydroxymethyl)- 2-Furancarboxylic acidSumiki's acidME143394----
11-amino-undecanoic acid11-Aminoundecanoic acidME143404----
GPEtn(22:0/20:1(11Z))PE 22:0/20:1(11Z)*ME143411----
GPIns(16:0/18:1(9Z)) + 5.007019PI 16:0/18:1(9Z)ME143412----
Ritodrine glucuronide 2-ME143413----
GlcAbeta-Cer(d18:1/18:0)GlcAbeta-Cer 18:1;O2/18:0ME143415----
Oscillol diglycoside/ Oacillol bisglycoside/ (Osci...-ME143416----
GPIns(16:0/16:0)PI 16:0/16:0ME143418----
1-heptadecanoyl, 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl...-ME143420----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME143421----
GPEtn(20:2(5Z,8Z)/18:0)[S]-ME143423----
Loroxanthin ester/ Loroxanthin dodecenoateLoroxanthin dodecenoateME143424----
Pyroglutamic acidPyroglutamic acidME143426----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]-ME143427----
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME143428----
TylosinTylosinME143430----
TaurineTaurineME143431----
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...-ME143432----
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...-ME143433----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.1267176-ME143434----
4-Aminobutyraldehyde4-AminobutyraldehydeME143435----
1-heptadecanoyl, 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl...-ME143437----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 5.16726PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME143438----
2-Amino-2-methyl-1-propanol-ME143440----
DiethanolamineDiethanolamineME143442----
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...PS 18:0_18:1ME143444----
FexofenadineFexofenadineME143447----
GPA(17:0/20:4(5Z,8Z,11Z,14Z))PA 17:0/20:4(5Z,8Z,11Z,14Z)*ME143449----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.2687573-ME143450----
PurinePurineME143452----
4-Aminobutyraldehyde + 5.2818184-AminobutyraldehydeME143460----
Bis (2-hydroxypropyl) amine + 5.2499375-ME143461----
2-Amino-2-methyl-1-propanol + 5.273906-ME143465----
Fexofenadine + 5.334997FexofenadineME143472----
2-Amino-3-methyl-1-butanol-ME143476----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.3522916-ME143479----
Indoleacrylic acidIndoleacrylic acidME143484----
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----
6-Formylindolo [3,2-B] carbazole6-Formylindolo[3,2-B]carbazoleME143511----
Bis (2-hydroxypropyl) amine + 5.4315743-ME143512----
OXYQUINOLINE + 5.4957175Quinolin-8-olME143526----
IrbesartanIrbesartanME143531----
TEGASERODTegaserodME143533----
3-hexenal3-HexenalME143534----
Diethanolamine + 5.581257DiethanolamineME143542----
Glucoheptonic acidGlucoheptonic acidME143543----
TrolamineTriethanolamineME143547----
p-HYDROXYCINNAMALDEHYDE(E)-3-(4-Hydroxyphenyl)-2-propenalME143553----
Galalpha1-3Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp-ME143559----
3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-chola...3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic acidME143570----
N-arachidonoyl D-serineN-Arachidonoyl D-serineME143573----
D-1-Piperideine-2-carboxylic acidD-1-Piperideine-2-carboxylic acidME143574----
TrimethylamineTrimethylamineME143577----
LeucineLeucineME143578----
Guanidinosuccinic AcidGuanidinosuccinic acidME143579----
RescinnamineRescinnamineME143580----
DEOXYSAPPANONE B TRIMETHYL ETHER-ME143582----
Purine + 5.749242PurineME143593----
DemeclocyclineDemeclocyclineME143597----
Rescinnamine + 5.7395997RescinnamineME143600----
Guanidinosuccinic Acid + 5.756057Guanidinosuccinic acidME143602----
METHYL ROBUSTONE-ME143603----
Leucine + 5.7596836LeucineME143608----
N-AcetylarylamineN-AcetylarylamineME143609----
p-Coumaric acidcis-p-Coumaric acidME143611----
THIODIGLYCOLThiodiglycolME143613----
Cys MetCys-MetME143616----
Diethanolamine + 5.7690396DiethanolamineME143619----
Pyroglutamic acid + 5.771221Pyroglutamic acidME143620----
1-Aminocyclopropane-1-carboxylic acid1-Aminocyclopropanecarboxylic acidME143623----
Pro HisPro-HisME143624----
n-methylnicotinamide + 5.7810454N-MethylnicotinamideME143625----
Vigabatrin + 5.8494177VigabatrinME143635----
2-Amino-3-methyl-1-butanol + 5.85888-ME143645----
Vigabatrin + 5.9456253VigabatrinME143647----
PhenacetinePhenacetinME143655----
n-methylnicotinamide + 5.9846854N-MethylnicotinamideME143656----
Ubiquinone 8Coenzyme Q8ME143658----
1-Methyladenosine1-MethyladenosineME143663----
4-Guanidinobutanoate4-Guanidinobutanoic acidME143668----
Eicosanedioic acidEicosanedioic acidME143673----
Normeperidinic acidNormeperidinicacidME143678----
DL-2-Aminooctanoic acid2-Aminocaprylic acidME143679----
AVOCADENE ACETATE-ME143682----
NadololNadololME143686----
Gemeprost-ME143687----
IndospicineIndospicineME143692----
1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutara...-ME143700----
Vigabatrin + 6.240728VigabatrinME143703----
Proline + 6.253225ProlineME143706----
2-Aminopropanol2-AminopropanolME143712----
Ecgonine-methylester-ME143714----
Arachidonyl lysolecithin-ME143715----
3-Methylamino-1,2-propandiol-ME143723----
alpha-Hydroxymetoprololalpha-HydroxymetoprololME143726----
L-Alanine n-butyl esterArabinonic acidME143727----
L-Glutamic acid dibutyl ester-ME143729----
beta-Alaninebeta-AlanineME143736----
Indole-3-ethanolTryptophanolME143740----
Triparanol + 6.3993936TriparanolME143753----
Dimethylglycine + 6.40687DimethylglycineME143757----
2-Amino-3-methyl-1-butanol + 6.4113593-ME143759----
ErythromycinErythromycinME143776----
1-Hydroxyvitamin D3 3-D-glucopyranoside1-Hydroxyvitamin D3 3-D-glucopyranosideME143783----
ANISOMYCINAnisomycinME143787----
BuprenorphineBuprenorphineME143788----
2-Methylbutyrylglycine + 6.51191432-MethylbutyrylglycineME143793----
PinacidilPindacME143794----
Diethanolamine + 6.4915724DiethanolamineME143796----
GPEtn(18:0/0:0)LPE 18:0/0:0ME143801----
EcgonineEcgonineME143804----
ValineValineME143807----
Buprenorphine + 6.5690656BuprenorphineME143812----
Pizotyline-ME143814----
p-Aminobenzoic acid + 6.617126p-Aminobenzoic acidME143819----
Purine + 6.369356PurineME143821----
Glutaral (Glutaraldehyde) + 6.6337214GlutaralME143822----
DL-2-Aminooctanoic acid + 6.6333692-Aminocaprylic acidME143823----
Tranexamic acid + 6.6616163Tranexamic acidME143824----
Leucine + 6.673633LeucineME143829----
IndoleacetaldehydeIndoleacetaldehydeME143831----
Triparanol + 6.6854663TriparanolME143832----
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline-ME143838----
8-Amino Caprylic acid8-Aminooctanoic acidME143839----
Pyroglutamic acid + 6.7877192Pyroglutamic acidME143844----
8-Amino Caprylic acid + 6.8377628-Aminooctanoic acidME143848----
Pyroglutamic acid + 6.7862115Pyroglutamic acidME143849----
CreatineCreatineME143851----
beta-Alanine + 6.8803706beta-AlanineME143852----
SuccinylacetoneSuccinylacetoneME143855----
GabapentinGabapentinME143860----
Ile Ala + 7.037262Ile-AlaME143861----
L-Glutamic acid n-butyl ester + 7.1278462-ME143863----
(E)-2-Methylglutaconic acid + 7.12787152-Methylglutaconic acidME143864----
1-Aminocyclohexanecarboxylic acid + 7.12257431-Azaniumylcyclohexane-1-carboxylateME143865----
Diacetyl + 7.1288037DiacetylME143866----
2R-aminoheptanoic acid2R-Aminoheptanoic acidME143867----
L-gamma-Cyano-gamma-aminobutyric acid + 7.1699996-ME143868----
3-Oxovalproic acid3-OxovalproicacidME143871----
8-Amino-7-oxononanoate + 7.24309878-Amino-7-oxononanoic acidME143872----
GABOXADOL-ME143875----
Pinacidil-N-Oxide-ME143876----
Acetoacetic acid + 7.447589Acetoacetic acidME143880----
pentanamidePentanamideME143881----
1-Aminocyclohexanecarboxylic acid + 7.62907271-Azaniumylcyclohexane-1-carboxylateME143882----
Leu ProLeu-ProME143883----
1-Aminocyclohexanecarboxylic acid + 7.95221141-Azaniumylcyclohexane-1-carboxylateME143884----
Leu Pro + 7.972919Leu-ProME143885----
N1-AcetylspermidineN1-AcetylspermidineME143889----
Glu Met GluGlu-Met-GluME143891----
Asp Met AspAsp-Met-AspME143892----
Indoxylsulfuric acidIndoxyl sulfateME143896----
Thr GluThr-GluME143898----
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...-ME143902----
19'-Hexanoyloxyfucoxanthinol19'-HexanoyloxyfucoxanthinolME143909----
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,...-ME143918----
(5E,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5E,...-ME143919----
4'-Apo-3,4-didehydrolycopene/ (4-Apo-3',4'-didehyd...-ME143920----
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acidME143931----
androst-16-en-3alpha-ol-ME143938----
Gemeprost + 1.0948418-ME143939----
5-Oxopyrrolidinyl sulpiride-ME143946----
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...-ME143948----
3alpha-HYDROXY-4,4-BISNOR-8,11,13-PODOCARPATRIENE-ME143961----
NeomethymycinNeomethymycinME143962----
9-amino-nonanoic acid + 1.20470739-Aminononanoic acidME143964----
3-hexenal + 1.11791253-HexenalME143968----
CaffeineCaffeineME143970----
2-Octenedioic acid2-Octenedioic acidME143974----
TheophyllineTheophyllineME143976----
MyricetinMyricetinME143980----
Pro His GlyPro-His-GlyME143981----
Metoprolol acid-ME143982----
3-Methylxanthine3-MethylxanthineME143983----
HARMINEHarmineME143984----
beta-vinyl acrylic acid + 2.0097528beta-Vinyl acrylic acidME143990----
BERGENINBergeninME143994----
2,8-decadiene-4,6-diyn-1-al2,8-Decadiene-4,6-diyn-1-alME143997----
BUFEXAMACBufexamacME144000----
SulfaquinoxalineSulfaquinoxalineME144002----
Diacetyl + 2.545552DiacetylME144003----
Succinic anhydrideSuccinic anhydrideME144004----
Sulfaquinoxaline + 2.6867344SulfaquinoxalineME144005----
1alpha,25-dihydroxy-11alpha-[(1R)-oxiranyl]vitamin...-ME144014----
Urocanic acid + 2.8492754Urocanic acidME144019----
a-GlucoseGlucoseME144022----
Adenine + 3.4309747AdenineME144024----
Lys Gln IleLys-Gln-IleME144025----
Uridine + 3.502514UridineME144026----
HomoserineHomoserineME144027----
Trp PheTrp-PheME144034----
1-(2-Pyrimidyl)piperazine1-(2-Pyrimidyl)piperazineME144037----
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...-ME144038----
Indole-3-ethanol + 5.0928TryptophanolME144040----
Galabiosylceramide (d18:1/12:0)-ME144042----
1-(2-Pyrimidyl)piperazine + 5.18893051-(2-Pyrimidyl)piperazineME144045----
Ophiobolin AOphiobolin AME144049----
Lys Asn ProLys-Asn-ProME144054----
Linolenoyl lysolecithinLPC 18:3ME144064----
2-Amino-3-methyl-1-butanol + 6.4972343-ME144065----
TEGASEROD + 6.9470444TegaserodME144069----
Benzyl alcoholBenzyl alcoholME144072----
4,4'-Diapolycopene4,4'-DiapolycopeneME144076----
12-oxo-9-octadecynoic acid + 1.062490212-Oxo-9-octadecynoic acidME144079----
Allocortolone-ME144085----
Vitamin K2Vitamin K2ME144086----
16-Glutaryloxy-1alpha,25-dihydroxyvitamin D3-ME144087----
(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lact...-ME144089----
Val Ser ArgVal-Ser-ArgME144090----
Ubiquinone + 1.4034188-ME144094----
LactaldehydeLactaldehydeME144098----
beta-DIHYDROROTENONE-ME144100----
(E)-2-Methylglutaconic acid + 2.69096422-Methylglutaconic acidME144101----
GlucosamineGlucosamineME144104----
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylh...5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoinME144124----
GPGro(18:0/20:4(5Z,8Z,11Z,14Z))PG 18:0/20:4(5Z,8Z,11Z,14Z)*ME144126----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 5...NPPBME144130----
Triiodothyronine (T3)-ME144132----
Dermatan-ME144133----
NADHNADHME144135----
1-Aminocyclopropane-1-carboxylic acid + 6.6336931-Aminocyclopropanecarboxylic acidME144138----
19'-Hexanoyloxyfucoxanthinol + 7.36118619'-HexanoyloxyfucoxanthinolME144142----
5-Androstene-3b,16b,17a-triol5-Androstene-3beta,16beta,17alpha-triolME144147----
NiacinamideNiacinamideME144155----
Trolamine + 4.853744TriethanolamineME144161----
GPEtn(20:2(5Z,8Z)/18:0)[S] + 5.1701465-ME144162----
9-hydroxy-12-oxo-10-octadecenoic acid9-Hydroxy-12-oxo-10-octadecenoic acidME144163----
3-Methylxanthine + 1.5947483-MethylxanthineME144166----


Analysis: HILIC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
OBTUSAQUINONE-ME144179----
KetorolacKetorolacME144180-C07062--
EDOXUDINE-ME144183----
PirenzepinePirenzepineME144189-C07508--
PyrocatecholPyrocatecholME144191-C00090--
FenoprofenFenoprofenME144192----
Pyrocatechol sulfateCatechol sulfateME144196----
3,4,5-TrihydroxystilbeneResveratrolME144197-C03582--
Testosterone sulfateTestosterone sulfateME144202-C00535--
DIHYDROSPATHELIACHROMENE-ME144206----
GuaiacolGuaiacolME144208-C01502--
Terephthalic acidTerephthalic acidME144209-C06337--
AcenocoumarolAcenocoumarolME144210----
2,3-Didehydrogibberellin A92,3-Didehydrogibberellin A9ME144214-C11866--
OSTHOLOstholeME144216-C09280--
4-Hydroxybenzenesulfonic acid4-Hydroxybenzenesulfonic acidME144220----
PhenolPhenolME144222-C00146--
Benzyl alcoholBenzyl alcoholME144226----
Demethylclomipramine-ME144227----
Asp ProAsp-ProME144231----
Bifemelane (M4)-ME144235----
4-Hydroxybenzyl cyanide4-HydroxybenzeneacetonitrileME144238----
Indoxylsulfuric acidIndoxyl sulfateME144240----
O-DesmethylnaproxenO-DesmethylnaproxenME144241----
KINETINKinetinME144244-C08272--
p-Hydroxyfelbamatep-HydroxyfelbamateME144247----
5C-aglycone5C-AglyconeME144248----
ZAPRINAST-ME144249----
Sodium tetradecyl sulfate-ME144251----
2-Naphthaleneacetic acid, 6-hydroxy-2-Octenoic acidME144252----
PRISTIMEROLPristimerolME144254----
PEUCEDANINPeucedaninME144255----
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...-ME144256----
(6RS,24R)-24,25-dihydroxyvitamin D3 6,19-sulfur di...-ME144257----
PurinePurineME144258-C00465--
ImidazoloneImidazoloneME144261-C06195--
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME144264-C00196--
Pyrocatechol - 0.8337931PyrocatecholME144268-C00090--
Pregnenolone sulfatePregnenolone sulfateME144269----
Ala Tyr LysAla-Tyr-LysME144271----
17a-Ethynylestradiol 2-glucuronide-ME144274----
SulfateSulfateME144281-C00059--
Testosterone sulfate - 0.864816Testosterone sulfateME144285-C00535--
2-Oxo-3-hydroxy-4-phosphobutanoate2-Oxo-3-hydroxy-4-phosphobutanoic acidME144289-C06054--
dihydroxyacetone phosphate (DHAP)Dihydroxyacetone phosphateME144291-C00111--
Pregnanolone sulfate-ME144292----
5beta-Androstan-3alpha-ol-17-one sulfate5beta-Androstan-3alpha-ol-17-one sulfateME144295----
Sulfolithocholic acidLithocholic acid sulfateME144298----
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME144303----
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate-ME144305----
Galalpha1-3Galbeta1-4[Fucalpha1-3]GlcNAcbeta-Sp-ME144307----
7-Hydroxyfluphenazine glucuronide-ME144315----
Sulfate - 0.9362061SulfateME144316-C00059--
Cys Tyr MetCys-Tyr-MetME144319----
CanrenoneCanrenoneME144320----
Asp Gly GlyAsp-Gly-GlyME144323----
2,3-Dihydroxybenzoic acid - 0.939838772-Pyrocatechuic acidME144324-C00196--
IsoacitretinIsoacitretinME144325----
Pyrocatechol - 0.9244228PyrocatecholME144326-C00090--
SaccharinSaccharinME144328-C12284--
16-phenyl-tetranor-PGE216-Phenyl-tetranor-PGE2ME144330----
Lys Cys HisLys-Cys-HisME144332----
2-Hydroxyethinylestradiol2-HydroxyethinylestradiolME144333----
Purine - 0.95897514PurineME144336-C00465--
Imidazolone - 0.9515435ImidazoloneME144338-C06195--
Met His LysMet-His-LysME144340----
2,4-DINITROPHENOL2,4-DinitrophenolME144341----
ANGOLENSIC ACID, METHYL ESTER-ME144342----
Fumaric acidFumaric acidME144345-C00122--
Acrylic acidAcrylic acidME144346----
EmbelinEmbelinME144347----
DiacetylDiacetylME144350-C00741--
Glutaconic acidGlutaconic acidME144351-C02214--
Benzoic acidBenzoic acidME144352-C00180--
6-Methylmercaptopurine6-MethylthiopurineME144353----
BenzeneBenzeneME144354-C01407--
2,3-Dihydroxybenzoic acid - 1.02364592-Pyrocatechuic acidME144356-C00196--
3,16-DIDEOXYMEXICANOLIDE-3alpha-DIOL3,16-Dideoxymexicanolide-3alpha-diolME144357----
(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...-ME144360----
SulfaphenazoleSulfaphenazoleME144366-D01954--
ProcarbazineProcarbazineME144369-C07402--
GemfibrozilGemfibrozilME144371----
AcamprosateAcamprosateME144373----
6alpha-METHYLPREDNISOLONE ACETATE-ME144376----
OLEANDRINOleandrinME144377----
KHAYASIN-ME144381----
Stearic acidStearic acidME144383-C01530--
4,7,10,13,16-docosapentaenoic acid4,7,10,13,16-Docosapentaenoic acidME144385----
5-octadecylenic acid6-Octadecylenic acidME144389----
3,9,15-Docosatriynoic acid3,9,15-Docosatriynoic acidME144390----
4Z,7Z,10Z,13Z-eicosatetraenoic acid4Z,7Z,10Z,13Z-Eicosatetraenoic acidME144392----
Lys Cys His - 1.0354904Lys-Cys-HisME144395----
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME144397----
Asn Thr PheAsn-Thr-PheME144400----
9,12,14-octadecatrienoic acid9,12,14-Octadecatrienoic acidME144402----
2-propyl-tridecanoic acid2-Propyl-tridecanoic acidME144405----
7-palmitoleic acid7-Palmitoleic acidME144411----
Testosterone sulfate - 1.0488886Testosterone sulfateME144417-C00535--
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...DG 16:1_17:2ME144419----
ESTRONE HEMISUCCINATE-ME144420----
TeasteroneTeasteroneME144423----
BilirubinBilirubinME144427-C00486--
Sulfate - 1.053629SulfateME144433-C00059--
4,8-dimethyl-dodecanoic acid4,8-Dimethyl-dodecanoic acidME144434----
1alpha,18,25-trihydroxyvitamin D_3 / 1alpha,18,25-...-ME144436----
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1al...-ME144437----
2-Hydroxyimipramine glucuronide-ME144446----
6alpha-Hydroxycastasterone6alpha-HydroxycastasteroneME144449----
(5E,10E)-19-(3-carboxylpropyl)vitamin D3 / (5E,10E...-ME144450----
sodium chlorovulone III-ME144451----
3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acid3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acidME144452----
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME144455-C01020--
(24R)-1alpha,24,25-trihydroxyvitamin D2 / (24R)-1a...(24R)-1alpha,24,25-Trihydroxyvitamin D2ME144457----
N- (2-AMINOETHYL)-4-CHLOROBENZAMIDE (RO-16-6491)-ME144459----
Trihydroxycoprostanoic acidTrihydroxycoprostanoic acidME144460----
7-hydroxy Tetranor Iloprost-ME144462----
3beta,4beta-Dihydroxy-5beta-cholan-24-oic Acid3beta,4beta-Dihydroxy-5beta-cholan-24-oic acidME144464----
QuassinQuassinME144465-C08778--
13S-hydroxy-9E,11Z-octadecadienoic acid-ME144467----
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epox...25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)etherME144470----
1alpha,25-dihydroxy-2beta-butoxyvitamin D3 / 1alph...-ME144477----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME144478----
9-lauroleic acid9-Dodecenoic acidME144483----
9(S)-HODE-d49S-HODEME144490----
26,27-diethyl-1alpha,25-dihydroxy-20,21-methano-23...-ME144496----
Benzoic acid - 1.0892141Benzoic acidME144503-C00180--
Leu Glu GlnLeu-Glu-GlnME144506----
11-deoxy-16,16-dimethyl-PGE211-Deoxy-16,16-dimethyl-PGE2ME144507----
(24R)-1alpha,24,25,26-tetrahydroxyvitamin D2 / (24...-ME144510----
D-UrobilinogenD-UrobilinogenME144516-C05791--
P-Hydroxydesmethylgliquidone-ME144519----
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuter...-ME144522----
Hexadecanedioic acidHexadecanedioic acidME144524-C08260--
Procarbazine - 1.1042323ProcarbazineME144525-C07402--
Embelin - 1.1058253EmbelinME144531----
1,3-DIDEACETYLKHIVORIN-ME144533----
KOBUSONEKobusoneME144534----
4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acet...-ME144535----
(+)-Bornane-2,5-dioneBornane-2,5-dioneME144536-C03037--
Trp Gln GlnTrp-Gln-GlnME144539----
Isoquinoline N-oxide-ME144544----
(22R)-1alpha,22,25-trihydroxy-24a,24b-dihomo-20-ep...-ME144545----
3-Indolepropionic acid3-Indolepropionic acidME144548----
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic A...3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic acidME144549----
13-Hydroxypergolide-ME144553----
2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME144557----
Glu Glu ArgGlu-Glu-ArgME144562----
3-Methylindole3-MethylindoleME144570-C08313--
Quinaldic acidQuinaldic acidME144573-C06325--
3E-undecenoic acid3E-Undecenoic acidME144574----
3,6,8-dodecatrien-1-ol3,6,8-Dodecatrien-1-olME144577----
Methyl jasmonateMethyl jasmonateME144579-C11512--
Pro Lys ProPro-Lys-ProME144580----
Traumatic acidTraumatic acidME144584-C16308--
D-Phenyllactic acidL-3-Phenyllactic acidME144588----
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl--ME144590----
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid-ME144591----
Hydroxyhydroquinone1,2,4-TrihydroxybenzeneME144594----
Limonene-1,2-epoxideLimonene-1,2-epoxideME144595-C07271--
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Meta...-ME144596----
Tuberonic acidTuberonic acidME144600----
Parahydroxyphenylacetic acid-ME144604----
Benzyl alcohol - 1.1647297Benzyl alcoholME144605----
4-hydroxy pelargonic acid4-Hydroxypelargonic acidME144607----
Glutaral (Glutaraldehyde)GlutaralME144609-C12518--
HYDROLYSIS PRODUCT OF BUSSEIN-ME144610----
Imidazolone - 1.1727113ImidazoloneME144612-C06195--
1,7-Dioxo-5beta-chol-2-en-24-oic Acid1,7-Dioxo-5beta-chol-2-en-24-oic acidME144614----
Bumetanide M1-ME144615----
7-Hydroxyoctanoic acid7-Hydroxyoctanoic acidME144616----
Trp His GluTrp-His-GluME144618----
Arg Met ThrArg-Met-ThrME144620----
BenazeprilatBenazeprilatME144624----
Isoacitretin - 1.110628IsoacitretinME144627----
Gemfibrozil - 1.1654488GemfibrozilME144630----
10-hydroxy-2E,8Z-Decadiene-4,6-diynoic acid-ME144631----
PGJ3PGJ3ME144634----
Murocholic acidMurideoxycholic acidME144635----
Cucurbitacin ECucurbitacin EME144636-C08797--
Phe Arg SerPhe-Arg-SerME144641----
NitrofurazoneNitrofurazoneME144645-C08042--
FluoresceinFluoresceinME144649----
m-Salicylic acid3-Hydroxybenzoic acidME144650----
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid...-ME144651----
3E-undecenoic acid - 1.26664423E-Undecenoic acidME144652----
1H-Imidazole-4-carboxamide, 5-[3-(hydroxymethyl)-3...-ME144653----
7-Hydroxyoctanoic acid - 1.27381367-Hydroxyoctanoic acidME144654----
2-Propylglutaric acid2-Propylglutaric acidME144655----
2,4-DICHLOROPHENOXYACETIC ACID2,4-Dichlorophenoxyacetic acidME144656----
AcetoinAcetoinME144657-C00810--
a-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME144658----
D-Leucic acidD-Leucic acidME144659-C03264--
D-GlucoseGlucoseME144661-C00031--
HydralazineHydralazineME144662-C07040--
Sulfadoxine suflate-ME144663----
LactaldehydeLactaldehydeME144664-C00424--
Glu Tyr TrpGlu-Tyr-TrpME144665----
O-Desmethylnaproxen - 1.3940506O-DesmethylnaproxenME144672----
N-n-Hexanoylglycine methyl ester-ME144682----
Glutaral (Glutaraldehyde) - 1.4571375GlutaralME144683-C12518--
Biliverdin IXBiliverdinME144684-C00500--
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME144686----
a-hydroxyisovalerate - 1.49768142-Hydroxy-3-methylbutyric acidME144688----
5-Acetyl-4-methylthiazole5-Acetyl-4-methylthiazoleME144689----
GlycolaldehydeGlycolaldehydeME144698-C00266--
a-hydroxybutyrate2-Hydroxybutyric acidME144699----
6-Methoxy-2-naphthylacetic acid6-Methoxy-2-naphthylaceticacidME144701----
Glutaral (Glutaraldehyde) - 1.526691GlutaralME144703-C12518--
3-Dehydroshikimic acid3-DehydroshikimateME144709----
1-METHYLXANTHINE1-MethylxanthineME144712----
Ala Asn AspAla-Asn-AspME144715----
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME144720-C05942--
UracilUracilME144722-C00106--
UridineUridineME144723-C00299--
N-Acetyl-5-hydroxysulfapyridine-ME144724----
Dehydronifedipine-ME144726----
Glucoheptonic acidGlucoheptonic acidME144729----
Gly HisGly-HisME144731----
Diacetyl - 1.6494641DiacetylME144733-C00741--
Acetoin - 1.6489999AcetoinME144734-C00810--
AllantoinAllantoinME144736-C01551--
5,6-Dihydrouridine5,6-DihydrouridineME144739----
Ala Asn Asp - 1.8246982Ala-Asn-AspME144740----
Succinic anhydrideSuccinic anhydrideME144742----
Lactaldehyde - 1.8333268LactaldehydeME144743-C00424--
Succinic acidSuccinic acidME144744-C00042--
OxipurinolOxypurinolME144746-C07599--
1,3-Dimethyluric acid1,3-Dimethyluric acidME144747----
Ala Asn Asp - 1.9234549Ala-Asn-AspME144749----
Lactaldehyde - 1.9453633LactaldehydeME144751-C00424--
Succinic acid - 1.9424812Succinic acidME144752-C00042--
XanthineXanthineME144754-C00385--
Phenol - 1.9647963PhenolME144756-C00146--
2-propyl-tridecanoic acid - 1.95008212-Propyl-tridecanoic acidME144757----
Stearic acid - 1.9493024Stearic acidME144758-C01530--
Ser AspSer-AspME144761----
1,3-Dimethyluric acid - 1.96027081,3-Dimethyluric acidME144762----
Embelin - 1.9662282EmbelinME144763----
5-FLUOROINDOLE-2-CARBOXYLIC ACID-ME144764----
7-Hydroxymethotrexate7-HydroxymethotrexateME144769----
Ala Asn AlaAla-Asn-AlaME144770----
BMPN-benzoic acid-ME144771----
Chlorogenic acidChlorogenic acidME144775-C00852--
Glu Gly AsnGlu-Gly-AsnME144776----
Isoacitretin - 1.9933776IsoacitretinME144779----
2-Hydroxyethinylestradiol - 1.99101142-HydroxyethinylestradiolME144780----
HYDROLYSIS PRODUCT OF BUSSEIN - 2.0391343-ME144781----
D1-2-Hydroxymethylethisterone-ME144783----
7-Ethoxycoumarin7-EthoxycoumarinME144785-C11052--
DIMETHYLCAFFEIC ACID-ME144787----
N-Dealkylzuclopenthixol sulfoxide-ME144789----
URSINIC ACID-ME144794----
Mono-N-depropylprobenecid-ME144798----
CatalpolCatalpolME144801-C09773--
L-Aspartic acid b-semialdehyde-ME144806----
Glutaconic acid - 2.0343776Glutaconic acidME144807-C02214--
AllysineAllysineME144808-C01475--
PURPUROGALLINPurpurogallinME144809-C09964--
Trp His GlyTrp-His-GlyME144811----
Isoacitretin - 2.0841198IsoacitretinME144813----
2-Hydroxyethinylestradiol - 2.08542972-HydroxyethinylestradiolME144814----
D1-2-Hydroxymethylethisterone - 2.08192-ME144815----
Salicyluric acidSalicyluric acidME144817-C07588--
CarboxyprimaquineCarboxyprimaquineME144819----
Chlorogenic acid - 2.1337886Chlorogenic acidME144820-C00852--
BMPN-benzoic acid - 2.1350398-ME144821----
PseudouridinePseudouridineME144828-C02067--
AcipimoxAcipimoxME144829----
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME144833-C05123--
1-Methylinosine1-MethylinosineME144834----
1-Methyluric acid1-Methyluric acidME144835-C16359--
BUFEXAMACBufexamacME144836-D01272--
2-oxoisocaproic acidKetoleucineME144837----
Lecanoric acidLecanoric acidME144840-C02868--
LorazepamLorazepamME144841-C07082--
Pantothenic AcidPantothenic acidME144845----
D-Glucose - 2.5938544GlucoseME144848-C00031--
HypoxanthineHypoxanthineME144852-C00262--
FAMPRIDINE4-AminopyridineME144854----
Urocanic acidUrocanic acidME144855-C00785--
1-Methyluric acid - 2.69620351-Methyluric acidME144856-C16359--
3-Sulfinoalanine3-Sulfino-alanineME144859-C00606--
Isoacitretin - 2.7621934IsoacitretinME144865----
Acetoacetic acidAcetoacetic acidME144868-C00164--
ISOEUGENITOLIsoeugenitolME144870----
Lactic acidLactic acidME144872-C00186--
griseorhodin AGriseorhodin AME144874----
Lorazepam - 2.7879822LorazepamME144876-C07082--
MethylglyoxalPyruvaldehydeME144877-C00546--
NITRENDIPINENitrendipineME144879-C07713--
D1-2-Hydroxymethylethisterone - 2.7633626-ME144880----
2-Hydroxyethinylestradiol - 2.76396082-HydroxyethinylestradiolME144882----
InosineInosineME144889-C00294--
Hypoxanthine - 2.8624513HypoxanthineME144890-C00262--
DihydroquercetinTaxifolinME144891-C01617--
SulfolithocholylglycineSulfoglycolithocholic acidME144894-C11301--
Hippuric acidHippuric acidME144897-C01586--
N-AcetylarylamineN-AcetylarylamineME144898-C02558--
Benzene - 3.0397487BenzeneME144899-C01407--
deschlorobenzoyl Indomethacin-ME144900----
3-Dehydroquinic acid3-DehydroquinateME144901-C00944--
Ser Arg AlaSer-Arg-AlaME144902----
Pyruvic acidPyruvic acidME144903-C00022--
Uric acidUric acidME144906-C00366--
N-Acetyl-5-aminosalicylic acid-ME144907----
VD 2656-ME144908----
Tyr Leu ArgTyr-Leu-ArgME144910----
CreatinineCreatinineME144912-C00791--
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))-ME144913----
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...-ME144914----
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...-ME144915----
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]PE 18:0/20:4(5Z,8Z,11Z,14Z)*ME144917----
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----
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME144927----
Glycoursodeoxycholic acid - 4.818241Glycoursodeoxycholic acidME144928----
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene ...-ME144931----
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...-ME144932----
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME144933----
Lactosylceramide (d18:1/12:0)-ME144934-C01290--
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME144935----
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 5.0507293PE 18:0/20:4(5Z,8Z,11Z,14Z)*ME144936----
GPSer(18:0/20:4(5Z,8Z,11Z,14Z))PS 18:0/20:4(5Z,8Z,11Z,14Z)*ME144937----
GPGro(17:0/20:4(5Z,8Z,11Z,14Z))PG 17:0/20:4(5Z,8Z,11Z,14Z)*ME144938----
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME144939----
B-ureidoisobutyric acid-ME144940----
Embelin - 5.080299EmbelinME144941----
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene ...-ME144943----
Arg Phe ArgArg-Phe-ArgME144947----
DesmosineDesmosineME144948----
N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfoox...-ME144953----
Arg Phe Arg - 5.3890805Arg-Phe-ArgME144954----
MERBROMIN-ME144969----
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic a...-ME144970----
ethotoin-ME144981----
CilastatinCilastatinME144988-C01675--
p-HYDROXYCINNAMALDEHYDE(E)-3-(4-Hydroxyphenyl)-2-propenalME144989-C05608--
2-amino-4'-hydroxy-Propiophenone-ME144991----
Ser Asp GlySer-Asp-GlyME144996----
Gly Thr MetGly-Thr-MetME145000----
SulfisoxazoleSulfisoxazoleME145004----
LeucineLeucineME145005-C00123--
Pyroglutamic acidPyroglutamic acidME145007-C01879--
Sulfisoxazole - 5.7662735SulfisoxazoleME145009----
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME145011-C04368--
MethionineMethionineME145016-C00073--
ValineValineME145018-C00183--
ProlineProlineME145023-C00148--
GPEtn(18:0/0:0)LPE 18:0/0:0ME145040----
EcgonineEcgonineME145046----
2'-METHOXYFORMONETIN-ME145050----
Parahydroxyphenylacetic acid - 0.7263352-ME145053----
NorbixinNorbixinME145061----
m-Salicylic acid - 0.93606213-Hydroxybenzoic acidME145064----
1alpha,2beta,25-trihydroxy-19-norvitamin D3 / 1alp...-ME145083----
Aminosalicylic acidAminosalicylic acidME145084----
SpheroideneSpheroideneME145086----
27-nor-5b-cholestane-3a,7a,12a,24,25-pentol27-Nor-5beta-cholestane-3alpha,7alpha,12alpha,24,25-pentolME145087----
AnhydrorhodovibrinAnhydrorhodovibrinME145088----
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...-ME145089----
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acidME145091----
3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME145098----
Phenol - 1.1552136PhenolME145101-C00146--
Embelin - 1.0988984EmbelinME145104----
Imidazolone - 1.3811468ImidazoloneME145108-C06195--
alpha-hydroxyisobutyrate2-Hydroxyisobutyric acidME145110----
Naltrexone-3-glucuronide-ME145114----
4,6-dioxoheptanoic acidSuccinylacetoneME145115----
PYROGALLIN1,2,3-TrihydroxybenzeneME145117----
Purine - 1.9813408PurineME145118-C00465--
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl...-ME145119----
Gibberellin A9Gibberellin A9ME145120-C11863--
2-Deoxyglucose2-Deoxy-glucoseME145121----
Glutathione, oxidizedOxidized glutathioneME145125-C00127--
NedocromilNedocromilME145133-C07255--
7-Deoxyadriamycinone-ME145135----
Imidazolone - 2.0479496ImidazoloneME145138-C06195--
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-S...-ME145143----
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-S...-ME145144----
TaurineTaurineME145147-C00245--
4-dodecynoic acid4-Dodecynoic acidME145166----
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic ...3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acidME145168----
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...-ME145170----
Corrinoid-ME145171-C06021--
GentianineGentianineME145173-C06525--
Ser Trp HisSer-Trp-HisME145176----
Lorazepam - 2.7057493LorazepamME145178-C07082--
2,3-Naphthalenedicarboxylic acid-ME145179----
2,3-Naphthalenedicarboxylic acid - 2.7644236-ME145181----
3-(a-Naphthoxy)lactic acid-ME145182----
Murocholic acid - 1.3214716Murideoxycholic acidME145197----
PYROGALLIN - 2.05596111,2,3-TrihydroxybenzeneME145199----
SelenocysteineSelenocysteineME145201-C02432--
KINETIN RIBOSIDE-ME145206----
24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3-ME145209----
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic ...3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acidME145212----
Oxolan-3-oneOxolan-3-oneME145224----


Analysis: Reversed phase POSITIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
UreaUreaME145226----
SulfateSulfateME145228----
Urea + 0.7614466UreaME145229----
AcetamideAcetamideME145231----
PurinePurineME145234----
LysineLysineME145237----
VigabatrinVigabatrinME145253----
Cys Cys LysCys-Cys-LysME145336----
SM(d18:0/20:0)SM 18:0;O2/20:0ME145361----
GPIns(17:0/14:1(9Z))PI 17:0/14:1(9Z)ME145386----
GPSer(18:1(9Z)/18:1(9Z))PS 18:1(9Z)/18:1(9Z)*ME145401----
Cerebroside C-ME145403----
GPGro(17:0/20:4(5Z,8Z,11Z,14Z))PG 17:0/20:4(5Z,8Z,11Z,14Z)*ME145405----
GPGro(17:0/17:0)[U]PG 17:0/17:0ME145417----
14-Hydroxy-6-O-methylerythromycin A-ME145426----
Loroxanthin ester/ Loroxanthin dodecenoateLoroxanthin dodecenoateME145428----
CDP-DG(12:0/12:0)CDP-DG 12:0/12:0ME145430----
14-Hydroxy-6-O-methylerythromycin A + 0.8525497-ME145431----
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME145433----
HistidineHistidineME145434----
Ne-Methyl-L-lysineN(6)-MethyllysineME145437----
D-ProlineD-ProlineME145438----
ArginineArginineME145440----
Purine + 0.85185045PurineME145442----
Ser Pro AspSer-Pro-AspME145443----
N(pai)-Methyl-L-histidine3-MethylhistidineME145444----
Indole-3-ethanolTryptophanolME145446----
Pyroglutamic acidPyroglutamic acidME145449----
Trans-4-Hydroxy-L-prolinetrans-4-HydroxyprolineME145450----
1-Aminocyclopropane-1-carboxylic acid1-Aminocyclopropanecarboxylic acidME145452----
5-Methylcytidine5-MethylcytidineME145453----
Pro Ser GluPro-Ser-GluME145455----
QuinoneQuinoneME145456----
His Gly GlyHis-Gly-GlyME145458----
Tiletamine-ME145459----
MethylglyoxalPyruvaldehydeME145462----
4-Aminobutyraldehyde4-AminobutyraldehydeME145463----
Muramic acidMuramic acidME145465----
beta-vinyl acrylic acidbeta-Vinyl acrylic acidME145471----
DiacetylDiacetylME145479----
Hydroxyhydroquinone1,2,4-TrihydroxybenzeneME145480----
2-Hydroxyadipic acid2-Hydroxyadipic acidME145483----
(E)-2-Methylglutaconic acid2-Methylglutaconic acidME145484----
Dihydroxyacetone (glycerone)DihydroxyacetoneME145485----
N,N-Dimethyltryptamine (DMT)DimethyltryptamineME145487----
clavirin IClavirin IME145488----
DesethylchloroquineDesethylchloroquineME145490----
3-(a-Naphthoxy)lactic acid glucuronide-ME145491----
Tyr Thr CysTyr-Thr-CysME145492----
3-Aminopropanal3-AminopropionaldehydeME145495----
ISOPIMPINELLINIsopimpinellinME145501----
isoamyl nitrite-ME145503----
2-Amino-3-methyl-1-butanol-ME145505----
isoamyl nitrite + 0.9043529-ME145509----
Urea + 0.91112196UreaME145515----
Leu Gly GlyLeu-Gly-GlyME145517----
L-gamma-Cyano-gamma-aminobutyric acid-ME145520----
Acetoacetic acidAcetoacetic acidME145521----
pentanamidePentanamideME145523----
crotamitonCrotamitonME145525----
4-Aminobutyraldehyde + 0.938562454-AminobutyraldehydeME145527----
beta-Alaninebeta-AlanineME145528----
p-Aminobenzoic acidp-Aminobenzoic acidME145531----
2-Aminopropanol2-AminopropanolME145532----
CreatineCreatineME145533----
3-Methylamino-1,2-propandiol-ME145534----
Sulfate + 0.9275894SulfateME145535----
HomoarginineHomoarginineME145536----
2-Amino-2-methyl-1-propanol-ME145537----
CreatinineCreatinineME145541----
Creatinine + 0.99268854CreatinineME145545----
Glu ThrGlu-ThrME145546----
GABOXADOL-ME145551----
2-Deoxyglucose2-Deoxy-glucoseME145552----
2R-aminoheptanoic acid2R-Aminoheptanoic acidME145554----
Diacetyl + 1.005292DiacetylME145556----
Vigabatrin + 1.0077096VigabatrinME145557----
Estrone sulfateEstrone 3-sulfateME145558----
PentoxifyllinePentoxifyllineME145559----
TriparanolTriparanolME145564----
1-Aminocyclopropane-1-carboxylic acid + 1.03205931-Aminocyclopropanecarboxylic acidME145566----
Asymmetric dimethylarginineDimethylarginineME145567----
isoamyl nitrite + 1.1509176-ME145570----
Sulfate + 1.0385672SulfateME145571----
HomoserineHomoserineME145572----
2,3,4-Trihydroxybenzylhydrazide-ME145573----
2-Aminomuconate 6-semialdehyde-ME145574----
Val GlyVal-GlyME145575----
PyridinePyridineME145579----
Purine + 1.0905235PurineME145581----
beta-Alanine + 0.9838784beta-AlanineME145583----
Acetamide + 1.0857111AcetamideME145584----
DIBENZOTHIOPHENEDibenzothiopheneME145587----
N-AcetylputrescineN-AcetylputrescineME145592----
Glu Pro GluGlu-Pro-GluME145593----
Ethyl Oxalacetate-ME145600----
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME145604----
GlycineGlycineME145606----
5,6-Dihydrouridine5,6-DihydrouridineME145607----
Uric acidUric acidME145608----
UridineUridineME145609----
cyclohexylammoniumCyclohexylamineME145612----
8-Amino Caprylic acid8-Aminooctanoic acidME145616----
Glutaral (Glutaraldehyde)GlutaralME145617----
HypoxanthineHypoxanthineME145618----
2-amino-8-oxo-9,10-epoxy-decanoic acid2-Amino-8-oxo-9,10-epoxy-decanoic acidME145622----
Bis (2-hydroxypropyl) amine-ME145626----
EthosuximideEthosuximideME145627----
p-Coumaric acidcis-p-Coumaric acidME145628----
EcgonineEcgonineME145629----
Tranexamic acidTranexamic acidME145630----
Triparanol + 1.1262335TriparanolME145631----
IsopentenyladenineN6-IsopentenyladenineME145633----
N-AcetylarylamineN-AcetylarylamineME145634----
DIALLYL SULFIDEDi-2-propenyl sulfideME145635----
2-Pyrrolidinone2-PyrrolidinoneME145637----
3-Hexenedioic acid3-Hexenedioic acidME145643----
11-amino-undecanoic acid11-Aminoundecanoic acidME145644----
GuanineGuanineME145645----
2-hydroxypyridine2-HydroxypyridineME145647----
L-Alaninol-ME145651----
ProlineProlineME145652----
DacarbazineDacarbazineME145661----
Uridine + 1.1965969UridineME145662----
LeucineLeucineME145664----
Isopentenyladenine + 1.2597357N6-IsopentenyladenineME145667----
beta-Alanine + 1.1774807beta-AlanineME145668----
Sulfate + 1.2718956SulfateME145669----
Triparanol + 1.2319102TriparanolME145670----
Leu ProLeu-ProME145672----
8-Amino Caprylic acid + 1.2688158-Aminooctanoic acidME145673----
Uric acid + 1.3433642Uric acidME145675----
Ethosuximide + 1.4545542EthosuximideME145677----
L-Glutamic acid n-butyl ester-ME145678----
(E)-2-Methylglutaconic acid + 1.49404752-Methylglutaconic acidME145680----
Pyroglutamic acid + 1.5272607Pyroglutamic acidME145681----
DL-erythronic acidErythronic acidME145682----
2-Pyrrolidinone + 1.63574472-PyrrolidinoneME145685----
4-Hydroxypyridine4-PyridoneME145686----
p-Coumaric acid + 1.7782933cis-p-Coumaric acidME145687----
Proline + 1.9875107ProlineME145688----
URETHANEEthyl carbamateME145693----
NiacinamideNiacinamideME145694----
Diacetyl + 2.2872417DiacetylME145698----
Guanidinosuccinic AcidGuanidinosuccinic acidME145699----
Leucine + 2.303836LeucineME145701----
2-Pyrrolidinone + 2.5226292-PyrrolidinoneME145702----
cyclohexylammonium + 2.72692CyclohexylamineME145704----
Bis (2-hydroxypropyl) amine + 2.759289-ME145705----
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)-ME145708----
Proline + 2.7835262ProlineME145709----
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) ...-ME145711----
Leu Pro + 2.7922463Leu-ProME145713----
2-Pyrrolidinone + 2.80836082-PyrrolidinoneME145715----
1-Methylinosine1-MethylinosineME145716----
D-Leucic acidD-Leucic acidME145717----
DihydromyricetinDihydromyricetinME145719----
3-Methylxanthine3-MethylxanthineME145720----
4-Pyridoxic acid4-Pyridoxic acidME145721----
2-Methylbutyrylglycine2-MethylbutyrylglycineME145725----
3-Methylxanthine + 2.99649173-MethylxanthineME145727----
VidarabineVidarabineME145729----
SuccinylacetoneSuccinylacetoneME145731----
Pinacidil-N-Oxide-ME145736----
PhenacetinePhenacetinME145737----
beta-vinyl acrylic acid + 3.054233beta-Vinyl acrylic acidME145739----
Glutaral (Glutaraldehyde) + 2.9589677GlutaralME145741----
AcetoinAcetoinME145744----
Desmethyldeschlorobenzoyl Indomethacin-ME145746----
1,3-Propanediamine1,3-DiaminopropaneME145749----
3-Amino-2-piperidone3-Amino-2-piperidoneME145753----
BenzeneBenzeneME145756----
p-HYDROXYCINNAMALDEHYDE(E)-3-(4-Hydroxyphenyl)-2-propenalME145759----
2,4-octadienal(E,E)-2,4-OctadienalME145762----
Vigabatrin + 3.193221VigabatrinME145771----
Glutaral (Glutaraldehyde) + 3.1847427GlutaralME145772----
D-BiotinBiotinME145773----
Ser Ile AspSer-Ile-AspME145777----
Acetoin + 3.1301212AcetoinME145778----
PyridoxaminePyridoxamineME145781----
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline-ME145783----
D-Leucic acid + 3.2521865D-Leucic acidME145785----
Acetoin + 3.2725856AcetoinME145787----
Leucine + 3.3352199LeucineME145789----
2-Amino-2-methyl-1-propanol + 3.3348465-ME145790----
2-Hydroxyadipic acid + 3.3522592-Hydroxyadipic acidME145795----
Asp GluAsp-GluME145796----
D-GlucoseGlucoseME145797----
ROFECOXIBRofecoxibME145799----
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline...-ME145802----
N2,N2-DimethylguanosineN2,N2-DimethylguanosineME145803----
2H-1-Benzopyran-6-acetic acid, 7-hydroxy-8-methoxy...-ME145804----
Pantothenic AcidPantothenic acidME145805----
2-Propylisonicotinic acid-ME145807----
Triparanol + 3.422217TriparanolME145808----
D-Leucic acid + 3.3704352D-Leucic acidME145810----
Acetoin + 3.4100943AcetoinME145811----
Meperidinic acid-ME145814----
n-Hexanoic AcidCaproic acidME145816----
3,4-Methylenedioxymethamphetamine (MDMA)3,4-MethylenedioxymethamphetamineME145817----
Proline + 3.526491ProlineME145818----
Ala Gly HisAla-Gly-HisME145820----
CadaverineCadaverineME145823----
PenciclovirPenciclovirME145825----
2-Octenedioic acid2-Octenedioic acidME145827----
TEGASERODTegaserodME145828----
Pro HisPro-HisME145832----
Trp Gly PheTrp-Gly-PheME145835----
Indoleacrylic acidIndoleacrylic acidME145837----
OXYQUINOLINEQuinolin-8-olME145838----
Phenytoin-N-glucuronide-ME145845----
PyrazinamidePyrazinamideME145846----
TEGASEROD + 3.630939TegaserodME145847----
ParaxanthineParaxanthineME145848----
Pro His + 3.655032Pro-HisME145849----
URSINIC ACID-ME145851----
D-Leucic acid + 3.4663346D-Leucic acidME145853----
6,8-dihydroxy-octanoic acid6,8-Dihydroxyoctanoic acidME145855----
3-butyrl propionic acid3-Butyrl propionic acidME145858----
CystamineCystamineME145860----
Purine + 3.719617PurineME145862----
Pizotyline-ME145863----
D-Leucic acid + 3.6933272D-Leucic acidME145864----
Urea + 3.7558262UreaME145869----
Cadaverine + 3.7957973CadaverineME145870----
LUPININELupinineME145871----
ConiineConiineME145874----
SedoheptuloseGlucoheptuloseME145876----
3-PINANONE OXIME-ME145877----
Dacarbazine + 3.8842092DacarbazineME145878----
TetrahydrofuranTetrahydrofuranME145879----
2,3-Butanediol2,3-ButanediolME145880----
Acetoin + 3.8588517AcetoinME145881----
n-Hexanoic Acid + 3.8789237Caproic acidME145883----
ChlortetracyclineChlortetracyclineME145885----
Parahydroxyphenylacetic acid-ME145887----
Cadaverine + 3.8525066CadaverineME145889----
Ethyldimethylaminopropyl Carbodiimide-ME145891----
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline...-ME145892----
His Thr AlaHis-Thr-AlaME145893----
Tuberonic acidTuberonic acidME145895----
D-Leucic acid + 3.9525054D-Leucic acidME145896----
6,8-dihydroxy-octanoic acid + 3.98042756,8-Dihydroxyoctanoic acidME145898----
6-Formylindolo [3,2-B] carbazole6-Formylindolo[3,2-B]carbazoleME145900----
Indoleacrylic acid + 4.0795326Indoleacrylic acidME145902----
1-(5-Ketohexyl)-3-methylxanthine-ME145903----
epsilon-CaprolactamEpsilon-caprolactamME145904----
cyclohexylammonium + 4.091004CyclohexylamineME145908----
4-Hydroxybenzyl cyanide4-HydroxybenzeneacetonitrileME145912----
Gln Pro GlnGln-Pro-GlnME145915----
Lys Asn ProLys-Asn-ProME145917----
PhenylethylaminePhenylethylamineME145918----
Glu GluGlu-GluME145919----
IsoniazidIsoniazidME145920----
CaffeineCaffeineME145921----
Urea + 4.1838627UreaME145923----
D-Leucic acid + 4.173406D-Leucic acidME145924----
PinacidilPindacME145925----
8-Amino-7-oxononanoate + 4.2588528-Amino-7-oxononanoic acidME145928----
3-Hydroxycapric acid10-Hydroxydecanoic acidME145929----
CarbarylCarbarylME145930----
pentanamide + 4.2868834PentanamideME145931----
Pinacidil + 4.292715PindacME145933----
Pyroglutamic acid + 4.323956Pyroglutamic acidME145938----
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylh...5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoinME145939----
Hippuric acidHippuric acidME145940----
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME145943----
L-Glutamic acid n-butyl ester + 4.359146-ME145945----
Pinacidil + 4.3888726PindacME145948----
Hydroxynicorandil-ME145952----
OXYQUINOLINE + 4.209661Quinolin-8-olME145953----
Lys HisLys-HisME145954----
2-Propylglutaric acid2-Propylglutaric acidME145957----
Phe LeuPhe-LeuME145958----
Pro PhePro-PheME145959----
ANISOMYCINAnisomycinME145960----
8-Amino Caprylic acid + 4.4734178-Aminooctanoic acidME145962----
Pinacidil + 4.491005PindacME145964----
Tetrahydrofuran + 4.5170274TetrahydrofuranME145965----
n-Hexanoic Acid + 4.518689Caproic acidME145967----
Tetrahydrofuran + 4.553784TetrahydrofuranME145968----
3-methyl-hexanoic acid3-Methylcaproic acidME145969----
Octanoln-OctanolME145970----
QueuineQueuineME145977----
Tetrahydrofuran + 4.6242595TetrahydrofuranME145978----
OXYQUINOLINE + 4.6872563Quinolin-8-olME145982----
NetilmicinNetilmicinME145985----
8-Amino-7-oxononanoate + 4.780058-Amino-7-oxononanoic acidME145986----
ACECLIDINEAceclidineME145987----
Gln Pro LysGln-Pro-LysME145992----
L-Glutamic acid dibutyl ester-ME146001----
dihydro-alpha-ergocryptineDihydro-alpha-ergocryptineME146005----
L-Glutamic acid dibutyl ester + 5.117508-ME146009----
GabapentinGabapentinME146010----
5,7-nonadienoic acid5,7-Nonadienoic acidME146013----
Pro TyrPro-TyrME146018----
bicyclo-PGE2Bicyclo-PGE2ME146023----
Trp PheTrp-PheME146024----
Benzenepropanoic acid, 4-[2-hydroxy-3-[(1-methylet...-ME146025----
L-Glutamic acid dibutyl ester + 5.3325095-ME146026----
deschlorobenzoyl Indomethacin-ME146027----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]NPPBME146029----
3,4,5-Trimethoxycinnamic acid3,4,5-Trimethoxycinnamic acidME146030----
3-Methylsuberic acid3-Methylsuberic acidME146032----
3-Aminoquinoline3-AminoquinolineME146037----
hexaneHexaneME146039----
alpha-Hydroxymetoprololalpha-HydroxymetoprololME146042----
6,8-dihydroxy-octanoic acid + 5.5167316,8-Dihydroxyoctanoic acidME146046----
Diacetyl + 5.516008DiacetylME146047----
alpha-Hydroxymetoprolol + 5.4719324alpha-HydroxymetoprololME146048----
n-Hexanoic Acid + 5.517181Caproic acidME146050----
9-oxo-2E-decenoic acid9-Oxo-2E-decenoic acidME146051----
PantetheinePantetheineME146053----
2-Octenedioic acid + 5.55743552-Octenedioic acidME146057----
Leu Ile TyrLeu-Ile-TyrME146059----
alpha-Hydroxymetoprolol + 5.5842547alpha-HydroxymetoprololME146061----
p-[N-Propyl-N-(3-hydroxypropyl)sulfamoyl]benzoic a...-ME146062----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 5...NPPBME146064----
hexane + 5.607934HexaneME146065----
Lys Lys MetLys-Lys-MetME146072----
MYCOPHENOLIC ACIDMycophenolic acidME146073----
3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-chola...3alpha,6alpha,12alpha-Trihydroxy-7-oxo-5beta-cholan-24-oic acidME146075----
Indoleacrylic acid + 5.6703653Indoleacrylic acidME146077----
3-(2,5-dimethoxyphenyl)propanoic acid3-(2,5-Dimethoxyphenyl)propanoicacidME146078----
Benzenemethanol, 2-(2-aminopropoxy)-3-methyl--ME146081----
MYCOPHENOLIC ACID + 5.8852096Mycophenolic acidME146082----
Tetrahydrofuran + 5.721473TetrahydrofuranME146084----
Anandamide 0-phosphate-ME146085----
Isoquinoline N-oxide-ME146088----
Citramalic acidCitramalic acidME146089----
p-[N-Propyl-N-(3-hydroxypropyl)sulfamoyl]benzoic a...-ME146091----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 5...NPPBME146092----
Indoleacrylic acid + 5.851069Indoleacrylic acidME146095----
1-Pyrrolidinepropanol, a-(4-hydroxycyclohexyl)-a-p...-ME146100----
4-Methylpentanal4-MethylpentanalME146103----
Acetoin + 5.92604AcetoinME146105----
3-Indoleacetic AcidIndoleacetic acidME146110----
IsoquinolineIsoquinolineME146111----
Ritodrine glucuronide-ME146119----
2-octynoic acid2-Octynoic acidME146131----
RETUSOQUINONE-ME146133----
5-Phenylvaleric acid5-Phenylvaleric acidME146135----
3-(2,5-dimethoxyphenyl)propanoic acid + 6.34278063-(2,5-Dimethoxyphenyl)propanoicacidME146137----
p-HYDROXYCINNAMALDEHYDE + 6.342826(E)-3-(4-Hydroxyphenyl)-2-propenalME146138----
LevamisoleLevamisoleME146148----
NadololNadololME146149----
NedocromilNedocromilME146153----
Nadolol + 6.503659NadololME146155----
Levamisole + 6.5314565LevamisoleME146156----
Nadolol + 6.615945NadololME146159----
4-Methylpentanal + 6.6271164-MethylpentanalME146161----
N-AcetylCilastatinN-AcetylCilastatinME146163----
His Arg AsnHis-Arg-AsnME146164----
20alpha-Dihydroprednisolone20alpha-dihydroprednisoloneME146166----
16a-Hydroxydydrogesterone glucoronide-ME146167----
Nadolol + 6.678749NadololME146168----
Isoquinoline + 6.695398IsoquinolineME146169----
3-Indolepropionic acid3-Indolepropionic acidME146170----
AldosteroneAldosteroneME146171----
Arg Met HisArg-Met-HisME146172----
Glibornuride M5-ME146173----
Nadolol + 6.7931957NadololME146177----
Nadolol + 6.893298NadololME146182----
12-amino-dodecanoic acid12-Aminododecanoic acidME146186----
Nefopam-ME146187----
LUPANYL ACID-ME146190----
O-Methylisoetharine sulfate-ME146197----
5alpha-androstane5alpha-AndrostaneME146199----
AllylestrenolAllylestrenolME146200----
5,7-nonadienoic acid + 7.2963335,7-Nonadienoic acidME146211----
3,6,8-dodecatrien-1-ol3,6,8-Dodecatrien-1-olME146215----
sebacic acidSebacic acidME146218----
9-oxo-2E-decenoic acid + 7.34610139-Oxo-2E-decenoic acidME146219----
PenbutololPenbutololME146224----
ABSCISIC ACID (cis,trans)Abscisic acidME146228----
3'-Hydroxytrimethoprim-ME146229----
CorticosteroneCorticosteroneME146240----
ISOSAFROLEIsosafroleME146245----
monodesmethyl chlorpheniramine-ME146247----
CholylglycineGlycocholic acidME146252----
6'-Exomethylenesimvastatin-ME146260----
VALERYL SALYCILATE-ME146262----
10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid-ME146263----
Hydrocortisone caproateHydrocortisone caproateME146266----
ISOSAFROLE + 7.7484255IsosafroleME146268----
Tetrahydrothiophene sulfoxide-ME146269----
PEUCENIN-ME146271----
Digitoxigenin monodigitoxoside-ME146275----
Tetrahydrothiophene sulfoxide + 7.8795595-ME146280----
PEUCENIN + 7.893574-ME146281----
ISOSAFROLE + 7.8931084IsosafroleME146282----
n-Hexanoic Acid + 7.895667Caproic acidME146283----
2-Amino-3-methyl-1-butanol + 8.0993805-ME146293----
Desmethyldoxepine-ME146298----
2-Amino-3-methyl-1-butanol + 8.170508-ME146301----
2-Hepten-4-yn-1-amine, N,6,6-trimethyl-, (E)- Meta...-ME146303----
PhendimetrazinePhendimetrazineME146304----
Desmethyldoxepine + 8.210644-ME146309----
Meradimate-ME146312----
1-Hexadecylamine1-HexadecylamineME146313----
Cys Pro IleCys-Pro-IleME146314----
5-HYDROXYIMINOISOCARYOPHYLLENE-ME146315----
Pentazocine trans acid-ME146316----
3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME146318----
Desmethyldoxepine + 8.2806225-ME146319----
Pro Leu CysPro-Leu-CysME146321----
(2-Chlorophenyl)diphenylmethane(2-Chlorophenyl)diphenylmethaneME146322----
19-Oxotestosterone-ME146329----
3,5-hexadienoic acid3,5-Hexadienoic acidME146333----
Methyl jasmonateMethyl jasmonateME146336----
3,5-hexadienoic acid + 8.5706853,5-Hexadienoic acidME146338----
3,5-hexadienoic acid + 8.6835993,5-Hexadienoic acidME146347----
Hydrocortisone succinateHydrocortisone succinateME146350----
Trp Tyr TyrTrp-Tyr-TyrME146354----
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME146361----
3-O-Methyldobutamine-ME146363----
2-decylenic acid2-Decenoic acidME146365----
IdebenoneIdebenoneME146366----
Biliverdin IXBiliverdinME146370----
VALERYL SALYCILATE + 8.9726305-ME146374----
10-hydroxy-8E-Decene-2,4,6-triynoic acid-ME146376----
Gibberellin A9Gibberellin A9ME146377----
2-ISOPROPYL-3-METHOXYCINNAMIC ACID2-Isopropyl-3-methoxycinnamic acidME146378----
p-Coumaric acid + 8.979086cis-p-Coumaric acidME146379----
RETUSOQUINONE + 8.979002-ME146380----
THIODIGLYCOLThiodiglycolME146381----
3-Hydroxy-4-methoxyphenylacetic acid-ME146382----
cyclandelateCyclandelateME146384----
Met His LysMet-His-LysME146385----
Ubiquinone-ME146389----
Phe Met MetPhe-Met-MetME146395----
NorcodeineNorcodeineME146398----
Met Gln AlaMet-Gln-AlaME146399----
Alprostadil(15-keto-13,14-dihydro-PGE)-ME146403----
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...-ME146404----
Biliverdin IX + 9.205698BiliverdinME146405----
Met His Lys + 9.230489Met-His-LysME146407----
Norcodeine + 9.289714NorcodeineME146409----
N-arachidonoyl D-serineN-Arachidonoyl D-serineME146411----
12-oxo-10Z-dodecenoic acid12-Oxo-10Z-dodecenoic acidME146416----
Norcodeine + 9.376453NorcodeineME146419----
PGE2PGE2ME146424----
Met His Lys + 9.574681Met-His-LysME146428----
Meradimate + 9.524543-ME146429----
3-O-Methyldobutamine + 9.541246-ME146430----
TetradecylamineTetradecylamineME146434----
EmbelinEmbelinME146435----
5,8-tetradecadienal5,8-TetradecadienalME146437----
Limonene-1,2-epoxideLimonene-1,2-epoxideME146439----
2-amino-tetradecanoic acid2-Aminotetradecanoic acidME146440----
CARYOPHYLLENE [t(-)]-ME146441----
MorphinoneMorphinoneME146443----
Phe Gln PhePhe-Gln-PheME146456----
Met His Lys + 9.66671Met-His-LysME146461----
N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)-ME146462----
Phenylmethyl methyl ketonePhenylacetoneME146467----
n-PentadecylamineN-PentadecylamineME146469----
OXIBENDAZOLE-ME146487----
CARYOPHYLLENE [t(-)] + 9.6942625-ME146488----
5,8-tetradecadienal + 9.6948125,8-TetradecadienalME146489----
2-amino-tetradecanoic acid + 9.6690592-Aminotetradecanoic acidME146490----
Limonene-1,2-epoxide + 9.695849Limonene-1,2-epoxideME146491----
n-Pentadecylamine + 9.664473N-PentadecylamineME146492----
OctanalCaprylaldehydeME146494----
3-O-Methyldobutamine + 9.693114-ME146496----
9-lauroleic acid9-Dodecenoic acidME146499----
Meradimate + 9.760125-ME146511----
BuprenorphineBuprenorphineME146513----
Allocortol-ME146521----
Met His Lys + 9.742552Met-His-LysME146530----
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-dioneME146534----
o-Monocarboxylfinasteride-ME146537----
(R)-(+)-CitronellalCitronellalME146539----
3R-hydroxy-5Z-dodecenoic acid3R-Hydroxy-5Z-dodecenoic acidME146540----
Met His Lys + 9.834422Met-His-LysME146553----
GestrinoneGestrinoneME146555----
11-deoxy-PGE211-Deoxy-PGE2ME146557----
NalorphineNalorphineME146558----
Allocortol + 9.85386-ME146560----
Tetracosahexaenoic acidTetracosahexaenoic acidME146565----
3-Methylamino-1,2-propandiol + 9.939783-ME146567----
NorpropoxypheneNorpropoxypheneME146572----
9-lauroleic acid + 9.9600259-Dodecenoic acidME146575----
NOMIFENSIN-ME146576----
CARYOPHYLLENE [t(-)] + 9.95652-ME146577----
3-keto palmitic acid3-Ketopalmitic acidME146579----
Linolenoyl lysolecithinLPC 18:3ME146581----
DACP analog of retinoic acid-ME146584----
2-Amino-3-methyl-1-butanol + 9.991623-ME146586----
Buprenorphine + 10.035896BuprenorphineME146587----
Met His Lys + 10.022826Met-His-LysME146589----
Leu Pro ProLeu-Pro-ProME146591----
Buprenorphine + 10.003486BuprenorphineME146592----
6-hydroxy-2-hexynoic acid6-Hydroxy-2-hexynoic acidME146593----
Dodecanedioic acidDodecanedioic acidME146596----
Linolenoyl lysolecithin + 10.056284LPC 18:3ME146597----
2-Amino-3-methyl-1-butanol + 10.058224-ME146598----
Asn His SerAsn-His-SerME146601----
Met His Lys + 10.062148Met-His-LysME146602----
DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER-ME146604----
15-methyl-15S-PGD215-Methyl-15S-PGD2ME146605----
Allocortol + 10.09885-ME146607----
Nalorphine + 10.114542NalorphineME146608----
Tetracosahexaenoic acid + 10.119264Tetracosahexaenoic acidME146609----
2-amino-tetradecanoic acid + 10.1348412-Aminotetradecanoic acidME146611----
Linolenoyl lysolecithin + 10.174725LPC 18:3ME146615----
2-Amino-3-methyl-1-butanol + 10.319972-ME146616----
15-methyl-15S-PGD2 + 10.24761515-Methyl-15S-PGD2ME146617----
15-methyl-15S-PGD2 + 10.2794915-Methyl-15S-PGD2ME146622----
DihydrostreptomycinDihydrostreptomycinME146625----
2-Amino-3-methyl-1-butanol + 10.313345-ME146628----
1-Hexadecylamine + 10.4007611-HexadecylamineME146629----
SulfaphenazoleSulfaphenazoleME146632----
Allocortol + 10.335503-ME146634----
7-DEACETOXY-7-OXOKHIVORIN-ME146638----
Allocortolone-ME146640----
FexofenadineFexofenadineME146645----
12-oxo-14,18-dihydroxy-9Z,13E,15Z-octadecatrienoic...-ME146649----
10-hydroxy-hexadecan-1,16-dioic acid-ME146650----
2-Amino-3-methyl-1-butanol + 10.468969-ME146655----
Indole-3-ethanol + 10.48405TryptophanolME146656----
Arachidonyl lysolecithin-ME146657----
HydroxyibuprofenHydroxyibuprofenME146658----
ABSCISIC ACID (cis,trans) + 10.506619Abscisic acidME146659----
3E-undecenoic acid3E-Undecenoic acidME146661----
15-methyl-15S-PGD2 + 10.48287615-Methyl-15S-PGD2ME146663----
2-Amino-3-methyl-1-butanol + 10.586369-ME146667----
AGELASINE-ME146670----
GPEtn(18:0/0:0)LPE 18:0/0:0ME146671----
dodecanamideDodecanamideME146674----
Fexofenadine + 10.63036FexofenadineME146677----
15-methyl-15S-PGD2 + 10.60250115-Methyl-15S-PGD2ME146678----
Arg Phe ArgArg-Phe-ArgME146683----
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...-ME146684----
Indole-3-ethanol + 10.696221TryptophanolME146693----
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...-ME146700----
2-Amino-3-methyl-1-butanol + 10.693879-ME146707----
6,9-hexadecadienoic acid6,9-Hexadecadienoic acidME146709----
3-keto palmitic acid + 10.8117823-Ketopalmitic acidME146710----
DisulfiramDisulfiramME146711----
3E,5E-tridecadienoic acid + 10.8006483E,5E-Tridecadienoic acidME146719----
AtenololAtenololME146725----
9,12,14-octadecatrienoic acid9,12,14-Octadecatrienoic acidME146736----
Atenolol + 10.9422865AtenololME146738----
BenztropineBenzatropineME146740----
3-keto palmitic acid + 10.8802333-Ketopalmitic acidME146741----
6,9-hexadecadienoic acid + 10.9428546,9-Hexadecadienoic acidME146745----
Indole-3-ethanol + 10.977722TryptophanolME146751----
2-Amino-3-methyl-1-butanol + 11.016444-ME146754----
12,13-dihydroxy-11-methoxy-9-octadecenoic acid12,13-Dihydroxy-11-methoxy-9-octadecenoic acidME146755----
PGF2alpha isopropyl esterPGF2alpha isopropyl esterME146756----
Acetyl-farnesyl-cysteineAcetyl-farnesyl-cysteineME146762----
6,9-hexadecadienoic acid + 11.0412216,9-Hexadecadienoic acidME146769----
3-keto palmitic acid + 11.0585363-Ketopalmitic acidME146771----
PGF2alpha isopropyl ester + 11.026333PGF2alpha isopropyl esterME146774----
6,9-hexadecadienoic acid + 11.0733966,9-Hexadecadienoic acidME146776----
9,12-hexadecadienoic acid9,12-Hexadecadienoic acidME146794----
3-keto palmitic acid + 11.0880673-Ketopalmitic acidME146799----
PGF2alpha isopropyl ester + 11.15266PGF2alpha isopropyl esterME146804----
OxybutyninOxybutyninME146812----
dihydrodigoxin-ME146818----
L-a-Lysophosphatidylserine-ME146821----
Indole-3-ethanol + 11.238193TryptophanolME146828----
ISOSAFROLE + 11.283258IsosafroleME146839----
Pro Pro PhePro-Pro-PheME146844----
2-Amino-3-methyl-1-butanol + 11.264595-ME146860----
Ivermectin B1a-ME146864----
VerapamilVerapamilME146866----
Vigabatrin + 11.315058VigabatrinME146868----
Gemeprost-ME146873----
RETUSOQUINONE + 11.335004-ME146882----
cyclandelate + 11.335367CyclandelateME146883----
ISOSAFROLE + 11.338241IsosafroleME146893----
Asn Ile AsnAsn-Ile-AsnME146894----
(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lact...-ME146895----
TacrolimusTacrolimusME146896----
PGF2alpha isopropyl ester + 11.358606PGF2alpha isopropyl esterME146897----
Verapamil + 11.388318VerapamilME146909----
Ivermectin B1a + 11.393579-ME146912----
Gemeprost + 11.403224-ME146914----
3-keto palmitic acid + 11.446973-Ketopalmitic acidME146918----
6Z,9Z-hexadecadienoic acid6Z,9Z-Hexadecadienoic acidME146919----
8-hydroxy-9,11-octadecadiynoic acid8-Hydroxy-9,11-octadecadiynoic acidME146922----
GPEtn(18:1(9Z)/0:0)LPE 18:1ME146926----
Tacrolimus + 11.445586TacrolimusME146927----
12-oxo-9-octadecynoic acid12-Oxo-9-octadecynoic acidME146928----
1-(9Z,12Z-octadecadienoyl)-rac-glycerolMG 18:2ME146935----
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acidME146938----
BENZYLBUTYLPHTHALATEBenzyl butyl phthalateME146942----
LEVULINIC ACID, 3-BENZYLIDENYL--ME146943----
Indole-3-ethanol + 11.506125TryptophanolME146947----
1-(9Z,12Z-octadecadienoyl)-rac-glycerol + 11.46301...MG 18:2ME146956----
2R-aminohexadecanoic acid2R-Aminohexadecanoic acidME146957----
Gemeprost + 11.52469-ME146959----
Asn Pro ProAsn-Pro-ProME146963----
8-hydroxy-9,11-octadecadiynoic acid + 11.4020648-Hydroxy-9,11-octadecadiynoic acidME146970----
6,9-hexadecadienoic acid + 11.5389186,9-Hexadecadienoic acidME146971----
3-keto palmitic acid + 11.5917413-Ketopalmitic acidME146973----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME146975----
PGF2alpha isopropyl ester + 11.614127PGF2alpha isopropyl esterME146977----
Gemeprost + 11.62228-ME146982----
Tilorone-ME146984----
LEVULINIC ACID, 3-BENZYLIDENYL- + 11.634378-ME146987----
Phthalic acid Mono-2-ethylhexyl EsterMonoethylhexyl phthalic acidME146989----
PhenindionePhenindioneME146994----
ZopicloneZopicloneME146995----
Gemeprost + 11.668265-ME146999----
Estradiolbeta-EstradiolME147002----
LEVULINIC ACID, 3-BENZYLIDENYL- + 11.718693-ME147008----
Phthalic acid Mono-2-ethylhexyl Ester + 11.718434Monoethylhexyl phthalic acidME147010----
androst-16-en-3alpha-ol-ME147015----
Gemeprost + 11.774193-ME147018----
7,12-Dioxo-5beta-cholan-24-oic Acid7,12-Dioxo-5beta-cholan-24-oic acidME147021----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 11...12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME147023----
Dihydroceramide C2-ME147033----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]-ME147043----
8R-hydroxy-9Z-octadecenoic acid-ME147051----
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME147053----
3-methyl-tetradecanedioic acid3-Methyl-tetradecanedioic acidME147056----
GPIns(16:0/18:1(9Z))PI 16:0/18:1(9Z)ME147060----
Gemeprost + 11.931488-ME147065----
GPEtn(18:1(9Z)/18:1(9Z))[U]PE 18:1(9Z)/18:1(9Z)ME147067----
13E,17-octadecadienoic acid + 12.05838313E,17-Octadecadienoic acidME147070----
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid16-HpOTrEME147072----
Gemeprost + 11.884415-ME147075----
trans-3-Hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME147076----
8R-hydroxy-9Z-octadecenoic acid + 12.01225-ME147077----
13E,17-octadecadienoic acid + 12.09710713E,17-Octadecadienoic acidME147080----
GPIns(16:0/18:1(9Z)) + 12.030009PI 16:0/18:1(9Z)ME147081----
(+/-)14,15-EpETrE14,15-EpETrEME147097----
GPEtn(18:1(9Z)/18:1(9Z))[U] + 12.079339PE 18:1(9Z)/18:1(9Z)ME147100----
9(S)-HODE-d49S-HODEME147113----
5-octadecylenic acid6-Octadecylenic acidME147114----
trans-3-Hydroxycotinine glucuronide + 12.1933155trans-3-Hydroxycotinine glucuronideME147117----
8R-hydroxy-9Z-octadecenoic acid + 12.142764-ME147121----
1-Hydroxytetrahydrocannabinol1-HydroxytetrahydrocannabinolME147123----
2-Amino-3-methyl-1-butanol + 11.9133625-ME147135----
Gemeprost + 12.244673-ME147137----
7,8-Didehydroastaxanthin7,8-DidehydroastaxanthinME147142----
Isorenieratene/ (Leprotene)-ME147148----
13E,17-octadecadienoic acid + 12.27133713E,17-Octadecadienoic acidME147154----
7,8-Didehydroastaxanthin + 12.2867617,8-DidehydroastaxanthinME147155----
8R-hydroxy-9Z-octadecenoic acid + 12.25186-ME147156----
2-glyceryl-PGE22-Glyceryl-PGE2ME147160----
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin...-ME147166----
9-heptadecylenic acid-ME147174----
N-ethyl N-(2-hydroxy-ethyl) arachidonoyl amineN-Ethyl N-(2-hydroxy-ethyl) arachidonoyl amineME147179----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 12.3171625-ME147181----
Val Trp ValVal-Trp-ValME147185----
2-glyceryl-PGE2 + 12.4721442-Glyceryl-PGE2ME147189----
(+/-)14,15-EpETrE + 12.44810114,15-EpETrEME147200----
13E,17-octadecadienoic acid + 12.39816413E,17-Octadecadienoic acidME147202----
D1-2-Hydroxymethylethisterone-ME147203----
2-Amino-3-methyl-1-butanol + 12.4143095-ME147206----
Hexadecanedioic acidHexadecanedioic acidME147207----
9-lauroleic acid + 12.461449-Dodecenoic acidME147211----
Cerebroside C + 12.490043-ME147213----
(23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 / (...-ME147223----
N-ethyl N-(2-hydroxy-ethyl) arachidonoyl amine + 1...N-Ethyl N-(2-hydroxy-ethyl) arachidonoyl amineME147224----
2-amino-tetradecanoic acid + 12.5438682-Aminotetradecanoic acidME147226----
2-Amino-3-methyl-1-butanol + 12.450909-ME147231----
8R-hydroxy-9Z-octadecenoic acid + 12.542628-ME147233----
8R-hydroxy-9Z-octadecenoic acid + 12.371478-ME147234----
OleandomycinOleandomycinME147236----
Galabiosylceramide (d18:1/24:1(15Z))-ME147239----
LinoleamideLinoleamideME147247----
Oleandomycin + 12.631897OleandomycinME147254----
Galabiosylceramide (d18:1/24:1(15Z)) + 12.616024-ME147255----
Dihydroceramide C2 + 12.6631565-ME147262----
N-(2-hydroxyethyl)icosanamideEicosanoyl-EAME147269----
ArachidonoylmorpholineArachidonoylmorpholineME147274----
(-)N-(1R-methyl-propyl) arachidonoyl amineN-(1R-Methyl-propyl) arachidonoyl amineME147278----
thyrotropin releasing hormoneThyrotropin releasing hormoneME147281----
15-hydroxy-pentadecanoic acid15-Hydroxy-pentadecanoic acidME147283----
D-Ribonolactone-ME147290----
Arachidonoylmorpholine + 12.806118ArachidonoylmorpholineME147293----
8R-hydroxy-9Z-octadecenoic acid + 12.537455-ME147295----
6alpha-Hydroxycastasterone6alpha-HydroxycastasteroneME147296----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME147304----
N-(2-hydroxyethyl)palmitamidePalmitoyl-EAME147306----
5a-Tetrahydrocorticosterone5alpha-TetrahydrocorticosteroneME147308----
Asp Ile GluAsp-Ile-GluME147310----
5-octadecylenic acid + 12.8813136-Octadecylenic acidME147312----
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methy...-ME147315----
LTB4 ethanol amideLTB4 ethanol amideME147318----
2-Hydroxy-C18-cerebroside-ME147319----
LeupeptinLeupeptinME147322----
5,8,11-Eicosatriynoic acid5,8,11-Eicosatriynoic acidME147324----
METHOPRENE (S)MethopreneME147328----
DIHYDRO-7-DESACETYLDEOXYGEDUNIN-ME147333----
avobenzone-ME147336----
Met Cys HisMet-Cys-HisME147344----
6,9,12-hexadecatrienoic acid6,9,12-hexadecatrienoic acidME147345----
Galabiosylceramide (d18:1/12:0)-ME147346----
8R-hydroxy-9Z-octadecenoic acid + 12.7353115-ME147350----
13E,17-octadecadienoic acid + 12.72417713E,17-Octadecadienoic acidME147351----
Leupeptin + 13.121516LeupeptinME147352----
QH2Ubiquinol-2ME147354----
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...-ME147356----
Cys Ala GlyCys-Ala-GlyME147358----
OctocryleneOctocryleneME147360----
1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hy...-ME147363----
8S-hydroxy-2-Decene-4,6-diynoic acid8S-Hydroxy-2-decene-4,6-diynoic acidME147364----
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...-ME147368----
(Z)-N-(2-hydroxyethyl)icos-11-enamide11Z-Eicosaenoyl-EAME147381----
5a-Tetrahydrocorticosterone + 13.1114745alpha-TetrahydrocorticosteroneME147384----
2R-aminohexadecanoic acid + 13.2887612R-Aminohexadecanoic acidME147385----
3,6-octadecadiynoic acid3,6-Octadecadiynoic acidME147386----
7-palmitoleic acid7-Palmitoleic acidME147389----
13E,17-octadecadienoic acid + 13.1510213E,17-Octadecadienoic acidME147390----
3a-OH Desogestrel-ME147391----
Anandamide (18:3, n-6)gamma-Linolenoyl-EAME147392----
2R-aminohexadecanoic acid + 13.5906112R-Aminohexadecanoic acidME147402----
1-hexadecanoyl-sn-glycerolMG 16:0/0:0/0:0ME147410----
9,13-dihydroxy-11-octadecenoic acid9,13-DiHOME(11)ME147411----
cis-11-Hexadecenalcis-11-HexadecenalME147412----
18-oxo-nonadecanoic acid18-Oxononadecanoic acidME147413----
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acidME147415----
OleamideOleamideME147417----
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa...-ME147418----
2-decylenic acid + 13.4592252-Decenoic acidME147419----
Lys Lys LysLys-Lys-LysME147420----
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin...-ME147423----
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid2E,5Z,8Z,11Z,14Z-Eicosapentaenoic acidME147424----
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide-ME147425----
Galabiosylceramide (d18:1/12:0) + 13.636459-ME147426----
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa...-ME147435----
octadecanamideStearamideME147436----
12Z,15Z-octadecadienoic acid12Z,15Z-Octadecadienoic acidME147440----
2-propyl-tridecanoic acid2-Propyl-tridecanoic acidME147443----
1-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-2-(7Z,10Z,1...-ME147444----
cis-11-Hexadecenal + 13.628559cis-11-HexadecenalME147445----
18-oxo-nonadecanoic acid + 13.6246118-Oxononadecanoic acidME147446----
1-hexadecanoyl-sn-glycerol + 13.626357MG 16:0/0:0/0:0ME147447----
Arg Phe ValArg-Phe-ValME147448----
3-Oxochola-1,4,6-trien-24-oic Acid3-Oxochola-1,4,6-trien-24-oic acidME147449----
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,...-ME147451----
Resolvin D1Resolvin D1ME147453----
(22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl...-ME147456----
Lithocholic acid glycine conjugateGlycolithocholic acidME147458----
GuanethidineGuanethidineME147491----
9-deoxy-9-methylene-16,16-dimethyl -PGE29-Deoxy-9-methylene-16,16-dimethyl -PGE2ME147494----
8R-hydroxy-9Z-octadecenoic acid + 13.894713-ME147498----
13E,17-octadecadienoic acid + 13.9251313E,17-Octadecadienoic acidME147499----
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...DG 16:1_17:2ME147504----
15(R)-HEDE15R-HEDEME147509----
N-(2-hydroxyethyl)stearamideStearoyl-EAME147511----
Adonixanthin/ 4-Ketozeaxanthin-ME147515----
(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,1...-ME147517----
8R-hydroxy-9Z-octadecenoic acid + 14.122501-ME147521----
13E,17-octadecadienoic acid + 14.14944513E,17-Octadecadienoic acidME147523----
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...DG 16:1_17:2ME147526----
9,12,14-octadecatrienoic acid + 14.1561399,12,14-Octadecatrienoic acidME147527----
1-heptadecanoyl-rac-glycerol-ME147528----
Leu Pro IleLeu-Pro-IleME147529----
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...-ME147534----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 14.189259PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME147535----
4Z,7Z,10Z,13Z-eicosatetraenoic acid4Z,7Z,10Z,13Z-Eicosatetraenoic acidME147552----
N-(2-hydroxyethyl)palmitamide + 14.244078Palmitoyl-EAME147554----
N-(2-hydroxyethyl)oleamideOleoyl-EAME147568----
1alpha,25-dihydroxy-26,27-dimethyl-24a-homovitamin...-ME147572----
StearamideStearamideME147579----
1a,1b-dihomo-15-deoxy-delta-12,14-PGD21a,1b-Dihomo-15-deoxy-delta-12,14-PGD2ME147589----
20-oxo-heneicosanoic acid20-Oxoheneicosanoic acidME147595----
1-octadecanoyl-rac-glycerolMG 18:0ME147597----
ESTRADIOL CYPIONATEEstradiol cypionateME147599----
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...DG 16:1_17:2ME147608----
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1al...-ME147617----
N-(2-hydroxyethyl)palmitamide + 14.481297Palmitoyl-EAME147618----
Stearic acidStearic acidME147621----
1-octadecanoyl-rac-glycerol + 14.683342MG 18:0ME147622----
ESTRADIOL CYPIONATE + 14.685556Estradiol cypionateME147623----
3E,13Z-octadecadien-1-ol3E,13Z-Octadecadien-1-olME147624----
20-oxo-heneicosanoic acid + 14.68581220-Oxoheneicosanoic acidME147625----
BilirubinBilirubinME147628----
25-hydroxy-26,27-dimethylvitamin D3 / 25-hydroxy-2...25-Hydroxy-26,27-dimethylvitamin D3ME147629----
Purine + 0.7245829PurineME147634----
1-(9Z,12Z,15Z-octadecatrienoyl)-2-docosanoyl-sn-gl...-ME147658----
Tacrolimus + 0.8404361TacrolimusME147659----
L-2-Aminoadipic acidAminoadipic acidME147661----
L-gamma-Cyano-gamma-aminobutyric acid + 0.87667257-ME147666----
3-oxo-4-pentenoic acid3-Oxo-4-pentenoic acidME147667----
n-methylnicotinamideN-MethylnicotinamideME147670----
Proline + 0.92105854ProlineME147673----
Triparanol + 1.0918698TriparanolME147674----
GABOXADOL + 1.0455781-ME147675----
5-(hydroxymethyl)- 2-Furancarboxylic acidSumiki's acidME147676----
Urea + 1.0790937UreaME147677----
Gly LeuGly-LeuME147679----
UracilUracilME147681----
Ile AlaIle-AlaME147682----
dimethyl sulfoxideDimethyl sulfoxideME147685----
1-Methyladenosine1-MethyladenosineME147686----
Proline + 1.5478859ProlineME147688----
IsoleucineIsoleucineME147689----
Acetamide + 2.7069936AcetamideME147690----
N,N-Didemethylchlorpromazine-ME147691----
Pro Ala LeuPro-Ala-LeuME147700----
2,6-Xylidine2,6-DimethylanilineME147703----
desethyletomidate-ME147705----
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME147709----
NYLIDRINNYLIDRINME147711----
n-Hexanoic Acid + 4.5853677Caproic acidME147713----
1-Cyclohexene-1-acrylic acid, 2,6,6-trimethyl-3-ox...-ME147714----
Arg Arg GlnArg-Arg-GlnME147716----
CEVADINE-ME147723----
Limonene-1,2-epoxide + 5.359787Limonene-1,2-epoxideME147724----
Ritodrine glucuronide 2-ME147728----
4,7,10,13-hexadecatetraenoic acid4,7,10,13-Hexadecatetraenoic acidME147729----
Pindolol-ME147732----
alpha-Phenylcyclohexylglycolic acid-ME147734----
3-O-Methyldobutamine + 9.645908-ME147736----
Cucurbitacin HCucurbitacin HME147737----
2-Amino-3-methyl-1-butanol + 10.736109-ME147740----
2-Amino-3-methyl-1-butanol + 10.86486-ME147742----
2-Amino-3-methyl-1-butanol + 11.051004-ME147743----
2-Amino-3-methyl-1-butanol + 11.280685-ME147744----
Penicillin VPenicillin VME147747----
DihydrosphingosineSphinganineME147748----
Cys Trp IleCys-Trp-IleME147749----
2-Amino-3-methyl-1-butanol + 11.496505-ME147753----
2-hexyl-2-decenoic acid2-Hexyl-2-decenoic acidME147755----
Docosanedioic acidDocosanedioic acidME147758----
Alloxanthin/ Tetradehydrozeaxanthin / (Cynthiaxant...-ME147760----
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...-ME147794----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 14.043131PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME147795----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 14.267213PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME147797----
DihydropteridineDihydropteridineME147804----
Vanillactic acidVanillactic acidME147820----
CaffeoylputrescineN-CaffeoylputrescineME147826----
N1-AcetylspermidineN1-AcetylspermidineME147827----
2-Aminopropanol + 0.99136292-AminopropanolME147828----
Glu Tyr GluGlu-Tyr-GluME147831----
Pro His HisPro-His-HisME147833----
DL-3,4-Dihydroxyphenylglycol3,4-DihydroxyphenylglycolME147838----
8-Amino-7-oxononanoate + 1.24447358-Amino-7-oxononanoic acidME147840----
Urocanic acidUrocanic acidME147841----
PhenylalaninePhenylalanineME147843----
PenicillaminePenicillamineME147845----
Bis (2-hydroxypropyl) amine + 1.6200651-ME147849----
1-Methyladenosine + 1.7639411-MethyladenosineME147851----
epsilon-Caprolactam + 1.7590352Epsilon-caprolactamME147852----
1-Methylguanine1-MethylguanineME147854----
Guanidinosuccinic Acid + 2.11935Guanidinosuccinic acidME147855----
N-Acetyltranexamic acid-ME147856----
11-amino-undecanoic acid + 2.229145311-Aminoundecanoic acidME147857----
Trp Arg AlaTrp-Arg-AlaME147860----
InosineInosineME147864----
2,4-Diamino-6,7-dimethoxyquinazoline-ME147865----
Ethosuximide + 3.0561461EthosuximideME147866----
4-aminohippurate4-Aminohippuric acidME147869----
Gln Ser ProGln-Ser-ProME147874----
Descarboethoxyloratadine-ME147883----
7,8-Diaminononanoate7,8-Diaminononanoic acidME147884----
9-amino-nonanoic acid9-Aminononanoic acidME147886----
Trp Gly HisTrp-Gly-HisME147887----
5-HYDROXYIMINOISOCARYOPHYLLENE + 8.264022-ME147890----
DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER + 10.087647-ME147893----
Gln Ser HisGln-Ser-HisME147894----
PhenoperidinePhenoperidineME147897----
Tyr Arg CysTyr-Arg-CysME147908----
1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin...-ME147911----
PGE1 alcoholPGE1 alcoholME147917----
DoxapramDoxapramME147922----
1-eicosanoyl-rac-glycerolMG 20:0ME147927----
2alpha-methyl-3-epi-1alpha,25-dihydroxyvitamin D_3...-ME147928----
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...-ME147935----
1a,1b-dihomo-15-deoxy-delta-12,14-PGD2 + 14.3105951a,1b-Dihomo-15-deoxy-delta-12,14-PGD2ME147937----
GPnCho(16:0/18:1(9Z))-ME147944----
TrolamineTriethanolamineME147946----
2-Amino-2-methyl-1-propanol + 1.0689027-ME147947----
AdipamideAdipamideME147948----
Urea + 3.3357449UreaME147950----
OXYQUINOLINE + 4.399383Quinolin-8-olME147954----
Indole-3-carboxylic acidIndole-3-carboxylic acidME147956----
Esmolol-ME147957----
deschlorobenzoyl Indomethacin + 5.665813-ME147962----
ISOSAFROLE + 7.771576IsosafroleME147963----
9-lauroleic acid + 10.6915799-Dodecenoic acidME147966----
1-Hexadecylamine + 10.8683181-HexadecylamineME147969----
Arg Gly GlyArg-Gly-GlyME147970----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 11...12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME147973----
14-methyl-8E-hexadecenoic acid14-Methyl-8E-hexadecenoic acidME147977----
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-ch...3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acidME147983----
GlucosamineGlucosamineME147989----
Methionine sulfoxideMethionine sulfoxideME147990----
THIODIGLYCOL + 1.2147598ThiodiglycolME147992----
Uridine + 1.2380995UridineME147993----
2-Methyl-3-ketovaleric acid2-Methyl-3-ketovaleric acidME147996----
isoamyl nitrite + 3.010901-ME147997----
Glutaral (Glutaraldehyde) + 3.091626GlutaralME147998----
2-Thiopheneacetic acid, 5-(hydroxyphenylmethyl)-al...-ME147999----
Acetoin + 3.7110846AcetoinME148006----
Lys His + 4.3157253Lys-HisME148008----
Tetrahydrofuran + 5.6420116TetrahydrofuranME148010----
Idebenone Metabolite (Benzenehexanoic acid, 2,5-di...-ME148011----
Phenylacetic acidPhenylacetic acidME148014----
Leu Asp LysLeu-Asp-LysME148018----
12S-hydroxy-16-heptadecynoic acid12S-Hydroxy-16-heptadecynoic acidME148028----
tomatidinolTomatidinolME148031----
2H-Indol-2-one, 1,3-dihydro-7-hydroxy-4-[2-(propyl...-ME148038----
2-tetracosanamidoethanesulfonic acid-ME148047----
3E,5E-tridecadienoic acid + 13.7738043E,5E-Tridecadienoic acidME148052----
GPSer(18:2(9Z,12Z)/18:2(9Z,12Z))[U]PS 18:2(9Z,12Z)/18:2(9Z,12Z)*ME148056----
Tacrolimus metabolite M-VII-ME148057----
5-(hydroxymethyl)- 2-Furancarboxylic acid + 1.1591...Sumiki's acidME148058----
Tyr Asp MetTyr-Asp-MetME148074----
Urea + 1.2225296UreaME148075----
Leu Pro + 2.848562Leu-ProME148076----
IrbesartanIrbesartanME148103----
Phthalic acid Mono-2-ethylhexyl Ester + 11.81391Monoethylhexyl phthalic acidME148104----
Arg Pro ValArg-Pro-ValME148110----
DelphinidinDelphinidinME148117----
Cys CysCys-CysME148120----
2-Amino-3-methyl-1-butanol + 1.0159793-ME148124----
Leucine + 1.6354626LeucineME148125----
Leu Arg TyrLeu-Arg-TyrME148129----


Analysis: Reversed phase NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
Ellagic acidEllagic acidME148133----
2,3-Dichloro-4-(a-hydroxy-2-thenyl)phenoxyacetic a...-ME148146----
HistidineHistidineME148207----
Chloral hydrateChloral hydrateME148210----
PROTOVERATRINE BProtoveratrine BME148229----
B-ureidoisobutyric acid-ME148233----
CITROPTENCitroptenME148241----
Dihydroxyacetone (glycerone)DihydroxyacetoneME148244----
MethylglyoxalPyruvaldehydeME148248----
Acetoacetic acidAcetoacetic acidME148249----
Glycolic acidGlycolic acidME148250----
Pyruvic acidPyruvic acidME148255----
PurinePurineME148259----
CreatinineCreatinineME148260----
ProlineProlineME148262----
ValineValineME148267----
Uric acidUric acidME148271----
Pyroglutamic acidPyroglutamic acidME148273----
N-AcetylarylamineN-AcetylarylamineME148277----
Dihydroxyacetone (glycerone) - 1.1726536DihydroxyacetoneME148281----
MethionineMethionineME148282----
Pyruvic acid - 1.1770045Pyruvic acidME148283----
UridineUridineME148284----
Methylglyoxal - 1.1846838PyruvaldehydeME148285----
Penicillin GPenicillin GME148286----
1,2-Glyceryl dinitrate glucuronide-ME148287----
LeucineLeucineME148291----
GlycolaldehydeGlycolaldehydeME148293----
alpha-hydroxyisobutyrate2-Hydroxyisobutyric acidME148294----
O-DesmethylnaproxenO-DesmethylnaproxenME148295----
IsoleucineIsoleucineME148296----
alpha-hydroxyisobutyrate - 2.29550242-Hydroxyisobutyric acidME148299----
O-Desmethylnaproxen - 2.3228056O-DesmethylnaproxenME148300----
Leucine - 2.2892022LeucineME148301----
2-amino-4'-hydroxy-Propiophenone-ME148305----
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid-ME148307----
a-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME148308----
PyrocatecholPyrocatecholME148309----
Pyrocatechol sulfateCatechol sulfateME148310----
NIMUSTINE-ME148311----
TryptophanTryptophanME148314----
IndoleIndoleME148315----
D-GlucoseGlucoseME148321----
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME148322----
TetrahydrofuranTetrahydrofuranME148324----
OSTHOLOstholeME148326----
PhenolPhenolME148328----
4-Hydroxybenzenesulfonic acid4-Hydroxybenzenesulfonic acidME148329----
3-Methyl-2-oxovaleric acid - 3.8784263-Methyl-2-oxovaleric acidME148330----
Indoxylsulfuric acidIndoxyl sulfateME148336----
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME148337----
Hippuric acidHippuric acidME148338----
Pyrocatechol - 4.3859496PyrocatecholME148339----
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME148340----
GuaiacolGuaiacolME148342----
Parahydroxyphenylacetic acid-ME148343----
Benzyl alcoholBenzyl alcoholME148347----
DL-3-hydroxy caproic acid3-Hydroxycaproic acidME148354----
3-Methylpimelic acid3-Methylpimelic acidME148364----
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME148371----
3-Methyl-2-oxovaleric acid - 5.3454923-Methyl-2-oxovaleric acidME148373----
3-Methylsuberic acid3-Methylsuberic acidME148374----
m-Salicylic acid3-Hydroxybenzoic acidME148377----
Phenol - 5.4432707PhenolME148378----
D-Phenyllactic acidL-3-Phenyllactic acidME148379----
ISOPIMPINELLINIsopimpinellinME148380----
3-Methylsuberic acid - 5.74975063-Methylsuberic acidME148381----
Isoquinoline N-oxide-ME148382----
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate-ME148383----
3-Methylindole3-MethylindoleME148384----
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME148386----
5beta-Androstan-3alpha-ol-17-one sulfate5beta-Androstan-3alpha-ol-17-one sulfateME148387----
Met His LysMet-His-LysME148388----
3R-hydroxy-octanoic acid-ME148389----
2,4-DINITROPHENOL2,4-DinitrophenolME148391----
Phe Arg SerPhe-Arg-SerME148392----
Leu Tyr MetLeu-Tyr-MetME148395----
PhensuximidePhensuximideME148397----
Ile Trp TyrIle-Trp-TyrME148399----
Thr Met ArgThr-Met-ArgME148400----
17a-Ethynylestradiol 16-glucuronide-ME148401----
Testosterone sulfateTestosterone sulfateME148402----
3R-hydroxy-octanoic acid - 7.0250587-ME148407----
5beta-Androstan-3alpha-ol-17-one sulfate - 7.16334...5beta-Androstan-3alpha-ol-17-one sulfateME148408----
Pregnanolone sulfate-ME148409----
5beta-Androstan-3alpha-ol-17-one sulfate - 7.35629...5beta-Androstan-3alpha-ol-17-one sulfateME148411----
1-[[2-(2,3-dihydro-2-oxo-1H-indol-4-yl)ethyl]propy...-ME148412----
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid-ME148415----
Dodecanedioic acidDodecanedioic acidME148416----
5beta-Androstan-3alpha-ol-17-one sulfate - 7.79875...5beta-Androstan-3alpha-ol-17-one sulfateME148417----
Pregnenolone sulfatePregnenolone sulfateME148418----
10-hydroxy capric acid10-Hydroxydecanoic acidME148424----
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE-ME148425----
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME148430----
10-hydroxy capric acid - 8.7524310-Hydroxydecanoic acidME148432----
3-methyl-heptanoic acid3-Methyl-heptanoic acidME148433----
2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME148434----
EmbelinEmbelinME148438----
ProcarbazineProcarbazineME148439----
KOBUSONEKobusoneME148440----
thyrotropin releasing hormoneThyrotropin releasing hormoneME148442----
Methyl jasmonateMethyl jasmonateME148444----
Biliverdin IXBiliverdinME148445----
gamma-Hydroxyphenylbutazone glucuronide-ME148453----
Embelin - 9.613076EmbelinME148455----
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...-ME148456----
O-BENZYL-l-SERINE-ME148457----
Gln Trp GlnGln-Trp-GlnME148458----
2-Hydroxyethinylestradiol2-HydroxyethinylestradiolME148465----
Tyr Arg LeuTyr-Arg-LeuME148469----
7-hydroxy Tetranor Iloprost-ME148470----
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...-ME148473----
2-Hydroxyethinylestradiol - 10.0394572-HydroxyethinylestradiolME148474----
Murocholic acidMurideoxycholic acidME148478----
Hexadecanedioic acidHexadecanedioic acidME148479----
15,16-epoxy-13-OH-9Z,11E-octadecadienoic acid15,16-EpODEME148480----
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...-ME148481----
2-Hydroxyethinylestradiol - 10.1532852-HydroxyethinylestradiolME148485----
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...-ME148486----
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...-ME148488----
2-Hydroxyethinylestradiol - 10.311582-HydroxyethinylestradiolME148489----
IsoacitretinIsoacitretinME148491----
Arg Phe ArgArg-Phe-ArgME148492----
3-methyl-nonanoic acid3-Methyl-nonanoic acidME148495----
DesmosineDesmosineME148497----
Idebenone Metabolite (Benzenedecanoic acid, 2,5-di...-ME148499----
Glu Tyr ThrGlu-Tyr-ThrME148503----
clavulone IClavulone IME148504----
Isoacitretin - 10.62412IsoacitretinME148505----
Arg Phe Arg - 10.657936Arg-Phe-ArgME148506----
12-methyl-10-oxo-tridecanoic acid12-Methyl-10-oxotridecanoic acidME148509----
Isoacitretin - 10.732019IsoacitretinME148512----
clavulone I - 10.785447Clavulone IME148513----
docusate2-MethylacetophenoneME148515----
Isoacitretin - 10.798786IsoacitretinME148516----
Sodium tetradecyl sulfate-ME148517----
D1-2-Hydroxymethylethisterone-ME148519----
clavulone I - 10.858965Clavulone IME148521----
Isoacitretin - 10.902054IsoacitretinME148522----
Glu Tyr Thr - 10.902022Glu-Tyr-ThrME148523----
D1-2-Hydroxymethylethisterone - 11.059013-ME148525----
KOBUSONE - 11.034212KobusoneME148526----
9R-hydroxy-12E-octadecenoic acid9R-HOME(12E)ME148529----
desmethylnortriptyline glucuronide-ME148531----
TRIDESACETOXYKHIVORIN-ME148533----
D1-2-Hydroxymethylethisterone - 11.200728-ME148534----
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME148535----
18-hydroxy-9S,10R-epoxy-stearic acid18-Hydroxy-9S,10R-epoxy-stearic acidME148536----
Gemfibrozil M2GemfibrozilME148541----
9R-hydroxy-12E-octadecenoic acid - 11.2992939R-HOME(12E)ME148542----
D1-2-Hydroxymethylethisterone - 11.317418-ME148544----
D1-2-Hydroxymethylethisterone - 11.361438-ME148546----
Gemfibrozil M2 - 11.328346GemfibrozilME148547----
D1-2-Hydroxymethylethisterone - 11.482383-ME148549----
Stearic acidStearic acidME148552----
Lauric acidLauric acidME148557----
DL-13-hydroxy stearic acid-ME148559----
PanaxytriolPanaxytriolME148561----
DL-12-hydroxy stearic acid12-Hydroxy stearic acidME148562----
9R-hydroxy-12E-octadecenoic acid - 12.0927319R-HOME(12E)ME148563----
5-methyl-2E-tridecenoic acid5-Methyl-2E-tridecenoic acidME148564----
DL-12-hydroxy stearic acid - 12.18758212-Hydroxy stearic acidME148565----
9R-hydroxy-12E-octadecenoic acid - 12.1868659R-HOME(12E)ME148566----
9R-hydroxy-12E-octadecenoic acid - 12.3465629R-HOME(12E)ME148568----
9R-hydroxy-12E-octadecenoic acid - 12.4345619R-HOME(12E)ME148570----
3-hydroxy-hexadecanoic acid3-Hydroxyhexadecanoic acidME148573----
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...-ME148574----
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid2E,5Z,8Z,11Z,14Z-Eicosapentaenoic acidME148576----
3beta,4beta-Dihydroxy-5beta-cholan-24-oic Acid3beta,4beta-Dihydroxy-5beta-cholan-24-oic acidME148577----
4'-Apo-3,4-didehydrolycopene/ (4-Apo-3',4'-didehyd...-ME148578----
Lys Trp ArgLys-Trp-ArgME148579----
9,12,14-octadecatrienoic acid9,12,14-Octadecatrienoic acidME148580----
3-hydroxy-hexadecanoic acid - 12.855093-Hydroxyhexadecanoic acidME148582----
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid3alpha,4beta-Dihydroxy-5beta-cholan-24-oic acidME148583----
9,12,14-octadecatrienoic acid - 12.9070569,12,14-Octadecatrienoic acidME148585----
3alpha,4beta-dihydroxy-5beta-cholan-24-oic Acid - ...3alpha,4beta-Dihydroxy-5beta-cholan-24-oic acidME148586----
3,9,15-Docosatriynoic acid3,9,15-Docosatriynoic acidME148587----
Embelin - 13.117974EmbelinME148589----
4,8-dimethyl-dodecanoic acid4,8-Dimethyl-dodecanoic acidME148590----
7-palmitoleic acid7-Palmitoleic acidME148597----
Embelin - 13.381417EmbelinME148599----
4Z,7Z,10Z,13Z-eicosatetraenoic acid4Z,7Z,10Z,13Z-Eicosatetraenoic acidME148602----
7-palmitoleic acid - 13.367627-Palmitoleic acidME148603----
4,7,10,13,16-docosapentaenoic acid4,7,10,13,16-Docosapentaenoic acidME148604----
Isopentadecylic acidIsopentadecylic acidME148606----
D1-2-Hydroxymethylethisterone - 13.49303-ME148607----
2-Hydroxyethinylestradiol - 13.5006512-HydroxyethinylestradiolME148608----
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME148609----
Embelin - 13.56923EmbelinME148615----
Arg Asn GlnArg-Asn-GlnME148618----
13E,17-octadecadienoic acid - 13.56129113E,17-Octadecadienoic acidME148625----
2-propyl-tridecanoic acid2-Propyl-tridecanoic acidME148627----
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerolDG 20:3_20:3ME148628----
BUTACAINE-ME148629----
Stearic acid - 13.633164Stearic acidME148631----
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...-ME148634----
Isopentadecylic acid - 13.64712Isopentadecylic acidME148635----
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...-ME148636----
4,7,10,13,16-docosapentaenoic acid - 13.6729264,7,10,13,16-Docosapentaenoic acidME148637----
CastasteroneCastasteroneME148639----
5Z,11Z,14Z-eicosatrienoic acidSciadonic acidME148641----
14-methyl-8E-hexadecenoic acid14-Methyl-8E-hexadecenoic acidME148643----
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...-ME148644----
4,7,10,13-docosatetraenoic acid4,7,10,13-Docosatetraenoic acidME148652----
Desmosine - 14.067394DesmosineME148655----
TeasteroneTeasteroneME148658----
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----
D1-2-Hydroxymethylethisterone - 14.157091-ME148661----
Stearic acid - 14.151329Stearic acidME148665----
2-Hydroxyethinylestradiol - 14.1725732-HydroxyethinylestradiolME148666----
2-propyl-tridecanoic acid - 14.1847612-Propyl-tridecanoic acidME148669----
Monensin-ME148672----
Embelin - 14.03012EmbelinME148674----
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...-ME148675----
Arg Ala PheArg-Ala-PheME148676----
5-octadecylenic acid6-Octadecylenic acidME148684----
Embelin - 14.221526EmbelinME148686----
2-Hydroxyethinylestradiol - 14.2421352-HydroxyethinylestradiolME148687----
Isoacitretin - 14.245813IsoacitretinME148690----
D1-2-Hydroxymethylethisterone - 14.2670965-ME148691----
Phe Pro ArgPhe-Pro-ArgME148696----
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----
2-propyl-tridecanoic acid - 14.19047452-Propyl-tridecanoic acidME148699----
5,11-Eicosadienoic acid5,11-Eicosadienoic acidME148701----
10-methyl-hexadecanoic acid10-Methyl-hexadecanoic acidME148703----
Hexacosanedioic acidHexacosanedioic acidME148704----
Isoarachidic acidIsoarachidic acidME148706----
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...-ME148707----
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapen...DG 22:1_22:5ME148710----
2-propyl-tridecanoic acid - 14.7008062-Propyl-tridecanoic acidME148711----
Loroxanthin ester/ Loroxanthin dodecenoateLoroxanthin dodecenoateME148712----
10-methyl-heptadecanoic acid10-Methyl-heptadecanoic acidME148713----
10-methyl-hexadecanoic acid - 14.70614510-Methyl-hexadecanoic acidME148714----
Embelin - 14.70403EmbelinME148715----
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----
BilirubinBilirubinME148718----
Gulonic acidGulonic acidME148729----
D-HomoserineD-HomoserineME148731----
Glycolaldehyde - 0.89615333GlycolaldehydeME148732----
SulfateSulfateME148733----
beta-Alaninebeta-AlanineME148734----
LactateLactic acidME148739----
1-Hydroxy-2-naphthoic acid1-Hydroxy-2-naphthoateME148742----
TyrosineTyrosineME148745----
a-hydroxybutyrate2-Hydroxybutyric acidME148746----
p-HYDROXYCINNAMALDEHYDE(E)-3-(4-Hydroxyphenyl)-2-propenalME148747----
Glucoheptonic acidGlucoheptonic acidME148748----
2-Hydroxyethinylestradiol - 10.2027652-HydroxyethinylestradiolME148753----
Panaxytriol - 11.984834PanaxytriolME148756----
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...-ME148757----
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...-ME148758----
glyceraldehydeGlyceraldehydeME148774----
desethyletomidate-ME148777----
HomoarginineHomoarginineME148778----
Glycoursodeoxycholic acid - 8.816427Glycoursodeoxycholic acidME148779----
SedoheptuloseGlucoheptuloseME148789----
L-NorleucineNorleucineME148791----
2-Butanone, 4-[6-(sulfooxy)-2-naphthalenyl]--ME148793----
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...-ME148796----


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