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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
10-hydroxy-2E,8E-Decadiene-4,6-diynoic acid-ME138282----
1-(10Z,13Z,16Z-docosatrienoyl)-2-(4Z,7Z,10Z,13Z,16...-ME138017----
1-(11E-octadecenoyl)-rac-glycerolMG 18:1ME138106----
1-(14-methyl-pentadecanoyl)-2-(8-[3]-ladderane-oct...-ME139612----
11-amino-undecanoic acid11-Aminoundecanoic acidME138808----
11-deoxy-PGE211-Deoxy-PGE2ME138063----
11-deoxy-PGE2 + 1.139548111-Deoxy-PGE2ME138180----
12,13-dihydroxy-11-methoxy-9-octadecenoic acid12,13-Dihydroxy-11-methoxy-9-octadecenoic acidME138079----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME137823----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 0....12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME137888----
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid + 1....12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME138192----
1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-3-(8-(2E,4Z-d...-ME139043----
1,2-di-(9Z-heptadecenoyl)-3-(9Z,12Z,15Z-octadecatr...-ME139299----
12-oxo-10Z-dodecenoic acid12-Oxo-10Z-dodecenoic acidME138252----
12-oxo-9-octadecynoic acid12-Oxo-9-octadecynoic acidME137974----
12-oxo-9-octadecynoic acid + 1.11827712-Oxo-9-octadecynoic acidME138082----
1-(2-Pyrimidyl)piperazine1-(2-Pyrimidyl)piperazineME138867----
1,3-Dimethyluric acid1,3-Dimethyluric acidME139396----
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME137949----
13S-hydroxy-9E,11Z-octadecadienoic acid-ME137969----
14-hydroxy-12-tetradecenoic acid14-Hydroxy-12-tetradecenoic acidME138013----
15-methyl-15S-PGD215-Methyl-15S-PGD2ME138100----
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid16-HpOTrEME138164----
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid + 1...16-HpOTrEME139335----
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,...-ME139567----
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...-ME138713----
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-oc...-ME138843----
19'-Hexanoyloxyfucoxanthinol19'-HexanoyloxyfucoxanthinolME137862----
1-(9Z,12Z-octadecadienoyl)-rac-glycerolMG 18:2ME138044----
1-(9Z-hexadecenoyl)-2-(5Z,8Z,11Z,14Z-eicosatetraen...-ME137886----
1-(9Z-hexadecenoyl)-2-(9Z,12Z-heptadecadienoyl)-sn...DG 16:1_17:2ME137951----
1alpha,25-dihydroxy-11alpha-[(1R)-oxiranyl]vitamin...-ME138578----
1alpha,25-dihydroxy-11alpha-[(1R)-oxiranyl]vitamin...-ME139701----
1alpha,25-dihydroxy-11beta-methoxyvitamin D3 / 1al...-ME137985----
1alpha,25-dihydroxy-16,17-didehydrovitamin D_3 / 1...-ME138197----
1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutara...-ME139118----
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...-ME138156----
1alpha,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,...-ME139651----
1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin...-ME138648----
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...-ME138068----
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...-ME138162----
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...-ME139649----
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phen...-ME138151----
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME139271----
1-Aminocyclohexanecarboxylic acid + 1.21347091-Azaniumylcyclohexane-1-carboxylateME139581----
1-Aminocyclohexanecarboxylic acid + 7.93291-Azaniumylcyclohexane-1-carboxylateME139289----
1-Aminocyclopropane-1-carboxylic acid1-Aminocyclopropanecarboxylic acidME139239----
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...-ME138631----
1-heneicosanoyl-2-(13Z,16Z-docosadienoyl)-sn-glyce...-ME137980----
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...-ME139625----
1-heptadecanoyl, 2-(5Z,8Z,11Z,14Z-eicosatetraenoyl...-ME138833----
1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-...-ME138832----
1-heptadecanoyl-2-(9Z-tetradecenoyl)-sn-glycero-3-...-ME138846----
1-Hexadecylamine1-HexadecylamineME138519----
1-Hexadecylamine + 3.4438681-HexadecylamineME138628----
1-Hexadecylamine + 3.55351611-HexadecylamineME138638----
1-Methyladenosine1-MethyladenosineME139078----
1-Methylguanine1-MethylguanineME138637----
1-Methylguanosine1-MethylguanosineME138608----
1-Methylinosine1-MethylinosineME138499----
1-MonopalmitinMG 16:0/0:0/0:0ME138026----
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...-ME138716----
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...-ME139610----
1-octadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-ph...PS 18:0_18:1ME138854----
1-octadecanoyl-rac-glycerolMG 18:0ME137993----
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acidME138005----
20alpha-Dihydroprednisolone20alpha-dihydroprednisoloneME138225----
(22E,24E,24bE)-1alpha,25-dihydroxy-26,27-dimethyl-...-ME138010----
(22E,24E,24bE)-1alpha,25-dihydroxy-26,27-dimethyl-...-ME139330----
(22E)-3beta-Hydroxychola-5,22-dien-24-oic Acid-ME138215----
(22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23...-ME138030----
(22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23...-ME138134----
(23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lact...-ME138166----
2,4-Diamino-6,7-dimethoxyquinazoline-ME138402----
(24S)-1alpha,24-dihydroxy-22-oxavitamin D3 / (24S)...-ME139298----
2,5-decadienoic acid2,5-Decadienoic acidME138033----
25-hydroxy-26,27-dimethylvitamin D3 / 25-hydroxy-2...25-Hydroxy-26,27-dimethylvitamin D3ME137897----
26,27-diethyl-1alpha,25-dihydroxy-20,21-methano-23...-ME139302----
2-Amino-2-methyl-1-propanol-ME138342----
2-Amino-2-methyl-1-propanol + 5.1816993-ME138852----
2-Amino-2-methyl-1-propanol + 5.2878256-ME138886----
2-Amino-3-methyl-1-butanol-ME138375----
2-Amino-3-methyl-1-butanol + 5.2393837-ME139627----
2-Amino-3-methyl-1-butanol + 5.6115484-ME138996----
2-Amino-3-methyl-1-butanol + 5.725701-ME139054----
2-Amino-3-methyl-1-butanol + 6.3776693-ME139164----
2-Amino-3-methyl-1-butanol + 6.443457-ME139183----
2-Amino-3-methyl-1-butanol + 6.487953-ME139205----
2-amino-4-cyano-butanoic acid-ME138276----
2-amino-4'-hydroxy-Propiophenone-ME139252----
2-Aminoisobutyric acidAminoisobutyric acidME138386----
2-Aminopropanol2-AminopropanolME138395----
2-Aminopropanol + 6.26399142-AminopropanolME139125----
2-Butanone-ME138260----
2-decylenic acid2-Decenoic acidME137916----
2E,4E,8Z-eicosatrienoic acid-ME138154----
2E,5Z,8Z,11Z,14Z-eicosapentaenoic acid2E,5Z,8Z,11Z,14Z-Eicosapentaenoic acidME137928----
2-Ethylisonicotinic acid2-EthylisonicotinicacidME137798----
2H-Indol-2-one, 1,3-dihydro-4-[2-hydroxy-3-[(1-met...-ME137961----
2-Hydroxyadipic acid2-Hydroxyadipic acidME138510----
2-Hydroxyadipic acid + 2.72868632-Hydroxyadipic acidME139598----
2-Hydroxyadipic acid + 2.75163442-Hydroxyadipic acidME138561----
2-Hydroxyiminodibenzyl2-HydroxyiminodibenzylME138500----
2-Methylbutyrylglycine2-MethylbutyrylglycineME138397----
2-Methylbutyrylglycine + 2.06881642-MethylbutyrylglycineME138461----
2-Methylbutyrylglycine + 6.48718072-MethylbutyrylglycineME139207----
2-Methylhippuric acid2-Methylhippuric acidME138467----
2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME137996----
2-Octenedioic acid2-Octenedioic acidME138275----
2-Octenedioic acid + 6.65236142-Octenedioic acidME139547----
2-oxo capric acid2-Oxo capric acidME138051----
2-Oxovaleric acidOxovaleric acidME139417----
2-Pyrrolidinone2-PyrrolidinoneME138254----
2-Pyrrolidinone + 1.58936422-PyrrolidinoneME138345----
2-Pyrrolidinone + 2.0506162-PyrrolidinoneME138457----
2-Pyrrolidinone + 2.81456522-PyrrolidinoneME138583----
2-Pyrrolidinone + 3.26092622-PyrrolidinoneME138616----
2-Pyrrolidinone + 3.7629332-PyrrolidinoneME138643----
3,3',5-Triiodothyropropionic acid-ME139062----
3,5-hexadienoic acid3,5-Hexadienoic acidME137946----
3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-n...-ME138384----
3,6,8-dodecatrien-1-ol3,6,8-Dodecatrien-1-olME137907----
3,6-octadecadiynoic acid3,6-Octadecadiynoic acidME138022----
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acidME138043----
3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-chola...3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic acidME138985----
3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-chola...3alpha,7alpha,12beta-Trihydroxy-11-oxo-5beta-cholan-24-oic acidME139488----
3alpha-HYDROXY-4,4-BISNOR-8,11,13-PODOCARPATRIENE-ME138224----
3-(a-Naphthoxy)lactic acid-ME138944----
3-(a-Naphthoxy)lactic acid glucuronide-ME138559----
3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME138198----
3-hexenal3-HexenalME138785----
3-Hydroxyphenytoin-ME139429----
3-Indoleacetic AcidIndoleacetic acidME138139----
3-Indolepropionic acid3-Indolepropionic acidME138102----
(3-Methoxy-4-hydroxyphenyl)ethylene glycol sulfate3-Methoxy-4-hydroxyphenylethyleneglycol sulfateME139711----
3-Methyl-3Z-Pentenoic Acid3-Methyl-3Z-pentenoic acidME137915----
3-Methylamino-1,2-propandiol-ME139141----
3-Methylxanthine3-MethylxanthineME138343----
3-NitrotyrosineNitrotyrosineME138471----
3-oxo-4-pentenoic acid3-Oxo-4-pentenoic acidME138529----
3-Oxovalproic acid3-OxovalproicacidME138812----
3R-hydroxy-5Z-dodecenoic acid3R-Hydroxy-5Z-dodecenoic acidME138040----
(3S,4R,3'R)-4-Hydroxyalloxanthin-ME139564----
3-tert-butyl-3-butenoic acid3-tert-Butyl-3-butenoic acidME137934----
4,6-Diamino-5-formamidopyrimidineFAPy-adenineME138627----
4,7,10,13,16-docosapentaenoic acid4,7,10,13,16-Docosapentaenoic acidME137831----
4,7,10,13-hexadecatetraenoic acid4,7,10,13-Hexadecatetraenoic acidME138115----
4,8,12,15,19,21-tetracosahexaenoic acid4,8,12,15,19,21-Tetracosahexaenoic acidME138228----
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline-ME139248----
4-Aminobutyraldehyde4-AminobutyraldehydeME138758----
4-Aminobutyraldehyde + 5.15985774-AminobutyraldehydeME138849----
4-Aminobutyraldehyde + 5.26461174-AminobutyraldehydeME138866----
4-Aminophenyl 1-thio-beta-D-glucuronide-ME138503----
4-Aminophenyl 1-thio-beta-D-glucuronide + 2.618879...-ME138535----
4-Aminophenyl 1-thio-beta-D-glucuronide + 2.781170...-ME138564----
4-dodecynoic acid4-Dodecynoic acidME137931----
4-Guanidinobutanoate4-Guanidinobutanoic acidME139083----
4-hydroxy-3,5-bis(1-methylethyl)phenyl glucuronide-ME139691----
4-Hydroxybenzyl cyanide4-HydroxybenzeneacetonitrileME137804----
4-Hydroxylevamisole Glucuronide-ME139503----
4-Hydroxypyridine4-PyridoneME138607----
4-Hydroxypyridine + 0.823034764-PyridoneME139295----
4-pentyn-1-ol-ME138238----
4-undecynoic acid4-Undecynoic acidME137948----
(+/-)5,6-DiHETrE5,6-DiHETrEME138178----
5,7-nonadienoic acid5,7-Nonadienoic acidME138242----
5-Acetyl-4-methylthiazole5-Acetyl-4-methylthiazoleME138333----
(5E,10Z)-19-fluoro-1alpha-hydroxyvitamin-D3 / (5E,...-ME137921----
5-(hydroxymethyl)- 2-Furancarboxylic acidSumiki's acidME138859----
5-(hydroxymethyl)- 2-Furancarboxylic acid + 5.2783...Sumiki's acidME138888----
5-(hydroxymethyl)- 2-Furancarboxylic acid + 5.4691...Sumiki's acidME138992----
5-Hydroxypyrazinamide5-HydroxypyrazinamideME139434----
5-Methylcytidine5-MethylcytidineME138626----
5-Methylthioribose5-MethylthioriboseME138576----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB]NPPBME138168----
5-NITRO-2-PHENYLPROPYLAMINOBENZOIC ACID [NPPB] + 1...NPPBME138413----
5-O-Methylvisamminol5-O-MethylvisamminolME138295----
5-oxo-7-octenoic acid5-Oxo-7-octenoic acidME139366----
5Z,8Z-tetradecadienoic acid5,8-Tetradecadienoic acidME137983----
6-[3]-ladderane-1-hexanol6-[3]-Ladderane-1-hexanolME137952----
6,9,12-hexadecatrienoic acid6,9,12-hexadecatrienoic acidME137973----
6alpha-Hydroxycastasterone6alpha-HydroxycastasteroneME137956----
6-Dimethylaminopurine6-DimethylaminopurineME138406----
6-Formylindolo [3,2-B] carbazole6-Formylindolo[3,2-B]carbazoleME138931----
6-hydroxy-2-hexynoic acid6-Hydroxy-2-hexynoic acidME138437----
6'-Hydroxysiphonaxanthin ester/ 6'-Hydroxysiphonax...-ME138893----
6-methyltetrahydropterin6-MethyltetrahydropterinME138460----
7,12-Dioxo-5beta-cholan-24-oic Acid7,12-Dioxo-5beta-cholan-24-oic acidME137895----
7,12-Dioxo-5beta-cholan-24-oic Acid + 1.18114797,12-Dioxo-5beta-cholan-24-oic acidME138208----
7,8-dihydroxy stearic acid7,8-Dihydroxy stearic acidME137958----
7-Aminoclonazepam7-AminoclonazepamME139402----
7-Hydroxymethotrexate7-HydroxymethotrexateME138408----
8,11,14-nonadecatriynoic acid-ME137845----
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME138323----
8-Amino-7-oxononanoate + 1.26850848-Amino-7-oxononanoic acidME139582----
8-Amino-7-oxononanoate + 7.304998-Amino-7-oxononanoic acidME139279----
8-Amino Caprylic acid8-Aminooctanoic acidME139257----
8-methoxy-13-hydroxy-9,11-octadecadienoic acid8-Methoxy-13-hydroxy-9,11-octadecadienoic acidME138083----
8R-hydroxy-9Z-octadecenoic acid-ME137940----
8R-hydroxy-9Z-octadecenoic acid + 1.1166265-ME138136----
9,12,14-octadecatrienoic acid9,12,14-Octadecatrienoic acidME137954----
9,13-dihydroxy-11-octadecenoic acid9,13-DiHOME(11)ME137950----
9-amino-nonanoic acid9-Aminononanoic acidME138248----
9-amino-nonanoic acid + 4.4607049-Aminononanoic acidME139614----
9-lauroleic acid9-Dodecenoic acidME137912----
ACECLIDINEAceclidineME138318----
AcenocoumarolAcenocoumarolME137796----
Acetoacetic acidAcetoacetic acidME138528----
Acetoacetic acid + 2.6840415Acetoacetic acidME138546----
Acetoacetic acid + 7.57222Acetoacetic acidME139285----
AcetoinAcetoinME138258----
Acetoin + 1.6106687AcetoinME138361----
AcipimoxAcipimoxME138475----
AdenineAdenineME138593----
Allocortol-ME138126----
alpha-Hydroxymetoprololalpha-HydroxymetoprololME139134----
alpha-Ketopantoic acid2-Dehydropantoic acidME138084----
Anandamide (20:5, n-3)Eicosapentenoyl-EAME137905----
ANISOMYCINAnisomycinME139198----
ARECOLINEArecolineME138329----
ArginineArginineME139641----
Asn Phe AlaAsn-Phe-AlaME137841----
Benorilate-ME139385----
BenserazideBenserazideME139556----
BenzeneBenzeneME139326----
BERGENINBergeninME138453----
beta-Alaninebeta-AlanineME139151----
beta-Alanine + 6.861986beta-AlanineME139260----
beta-vinyl acrylic acidbeta-Vinyl acrylic acidME138506----
beta-vinyl acrylic acid + 2.6553457beta-Vinyl acrylic acidME138530----
beta-vinyl acrylic acid + 2.7240262beta-Vinyl acrylic acidME138580----
BilirubinBilirubinME137923----
Bilirubin + 3.964413BilirubinME138663----
Biliverdin IXBiliverdinME138311----
Biliverdin IX + 1.6432531BiliverdinME138360----
Biliverdin IX + 5.3967257BiliverdinME139629----
Bis (2-hydroxypropyl) amine-ME138786----
Bis (2-hydroxypropyl) amine + 5.2407393-ME138872----
Bis (2-hydroxypropyl) amine + 5.448429-ME138932----
Bis (2-hydroxypropyl) amine + 5.5734115-ME138957----
Bis (2-hydroxypropyl) amine + 5.6669173-ME138989----
(+)-Bornane-2,5-dioneBornane-2,5-dioneME137976----
BrassinolideBrassinolideME138217----
BUFEXAMACBufexamacME138489----
BuprenorphineBuprenorphineME139200----
Buprenorphine + 6.549572BuprenorphineME139223----
B-ureidoisobutyric acid-ME139427----
CadaverineCadaverineME138600----
CaffeineCaffeineME139368----
Calcipotriene-ME139300----
CapryloylglycineCapryloylglycineME138488----
CarbarylCarbarylME138296----
CarboxyibuprofenCarboxyibuprofenME139397----
CARYLOPHYLLENE OXIDE-ME137981----
cefamandole nafate-ME139663----
cefamandole nafate + 2.0600944-ME139667----
Chloramphenicol alcohol-ME138595----
ChlortetracyclineChlortetracyclineME139430----
ciclopiroxCiclopiroxME138340----
CreatineCreatineME139261----
CreatinineCreatinineME138497----
Creatinine + 3.992575CreatinineME138668----
Creatinine + 4.191031CreatinineME139453----
Crotonic acidCrotonic acidME139415----
cyclohexylammoniumCyclohexylamineME138569----
cyclohexylammonium + 4.572306CyclohexylamineME138749----
cyclohexylammonium + 4.9269075CyclohexylamineME138801----
cyclohexylammonium + 5.1955566CyclohexylamineME138858----
Cys Asn ThrCys-Asn-ThrME138903----
CytosineCytosineME138483----
Cytosine + 3.4042628CytosineME138625----
Cytosine + 3.9254932CytosineME138659----
desmethylnortriptyline glucuronide-ME137808----
D-GlucoseGlucoseME138297----
D-Glucose + 2.726834GlucoseME138549----
DiacetylDiacetylME139276----
Diacetyl + 1.5359212DiacetylME139376----
Diacetyl + 2.5729017DiacetylME139411----
DiazepamDiazepamME138444----
DiethanolamineDiethanolamineME138875----
Diethanolamine + 5.4235935DiethanolamineME138962----
Diethanolamine + 5.6023684DiethanolamineME138990----
Diethanolamine + 5.6117415DiethanolamineME139499----
Diethanolamine + 5.770817DiethanolamineME139022----
Dihydrocodeine-6-glucuronide-ME138212----
Dihydroxylycopene/ OH-RhodopinDihydroxylycopeneME137860----
DimethylglycineDimethylglycineME139171----
dimethyl sulfoxideDimethyl sulfoxideME138396----
Dinorpromazine-ME138605----
dirithromycin-ME139527----
Distearyl phosphatidyl ethanolaminePE 18:0/18:0ME139470----
DL-2-Aminooctanoic acid2-Aminocaprylic acidME139232----
D-Leucic acidD-Leucic acidME138369----
D-Leucic acid + 1.7634912D-Leucic acidME138392----
dodecanamideDodecanamideME138135----
(E)-2-Methylglutaconic acid2-Methylglutaconic acidME138509----
(E)-2-Methylglutaconic acid + 2.70022082-Methylglutaconic acidME138545----
(E)-2-Methylglutaconic acid + 2.75617382-Methylglutaconic acidME139421----
(E)-2-Methylglutaconic acid + 7.1170852-Methylglutaconic acidME139275----
EcgonineEcgonineME138991----
Ecgonine + 6.5281243EcgonineME139218----
Eicosanedioic acidEicosanedioic acidME139089----
epsilon-CaprolactamEpsilon-caprolactamME138309----
epsilon-Caprolactam + 1.5566033Epsilon-caprolactamME138341----
ErythromycinErythromycinME139189----
Ethanolamine phosphate (Phosphoethanolamine)PhosphoethanolamineME138490----
EthosuximideEthosuximideME138661----
Ethosuximide + 4.8916454EthosuximideME138775----
Ethosuximide + 5.3117914EthosuximideME139489----
Ethosuximide + 5.762143EthosuximideME139524----
FENDILINE-ME138655----
FexofenadineFexofenadineME138883----
GabapentinGabapentinME139268----
GABOXADOL-ME139280----
Gemeprost-ME138054----
Gemeprost + 6.1370444-ME139104----
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))-ME138707----
GlucosamineGlucosamineME138525----
Glucosamine + 4.094891GlucosamineME139452----
Glu Cys TyrGlu-Cys-TyrME139389----
Glutaral (Glutaraldehyde)GlutaralME138157----
Glutaral (Glutaraldehyde) + 1.3851916GlutaralME138299----
Glutaral (Glutaraldehyde) + 6.6251254GlutaralME139231----
glyceraldehydeGlyceraldehydeME138543----
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME138788----
Gly GluGly-GluME139704----
Gly Gly GlyGly-Gly-GlyME139665----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME138848----
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME138725----
GPEtn(18:0/0:0)LPE 18:0/0:0ME139212----
GPEtn(18:0/18:3(9Z,12Z,15Z))[U]PE 18:0/18:3(9Z,12Z,15Z)*ME138734----
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]PE 18:0/20:4(5Z,8Z,11Z,14Z)*ME138722----
GPEtn(18:1(11Z)/18:1(9Z))[U]PE 18:1(11Z)/18:1(9Z)ME139373----
GPEtn(20:2(5Z,8Z)/18:0)[S]-ME138844----
GPEtn(22:0/20:1(11Z))PE 22:0/20:1(11Z)*ME138819----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]-ME138842----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.188982-ME138870----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 5.253908-ME138953----
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME139454----
GPIns(16:0/16:0)PI 16:0/16:0ME138831----
GPIns(16:0/18:1(9Z))PI 16:0/18:1(9Z)ME138610----
GPIns(16:0/18:1(9Z)) + 5.0012336PI 16:0/18:1(9Z)ME138820----
GPSer(16:0/20:0)PS 16:0/20:0ME138836----
Guanidinosuccinic AcidGuanidinosuccinic acidME139012----
GUVACINEGuvacineME139675----
Hippuric acidHippuric acidME138604----
His Asn AspHis-Asn-AspME138544----
HYDROLYSIS PRODUCT OF BUSSEIN-ME138174----
HYDROLYSIS PRODUCT OF BUSSEIN + 1.4087132-ME139587----
HYDROLYSIS PRODUCT OF BUSSEIN + 1.4680848-ME138336----
HYDROLYSIS PRODUCT OF BUSSEIN + 1.9674853-ME138416----
Hydroxyhydroquinone1,2,4-TrihydroxybenzeneME138512----
Hydroxyhydroquinone + 2.69563721,2,4-TrihydroxybenzeneME138538----
Hydroxytinidazole glucuronide-ME139509----
HypoxanthineHypoxanthineME138523----
Hypoxanthine + 2.7262764HypoxanthineME139412----
Hypoxanthine + 2.8479283HypoxanthineME138587----
Ile AlaIle-AlaME139270----
INDOLE-3-CARBINOLIndole-3-carbinolME137802----
Indole-3-ethanolTryptophanolME138823----
Indole-3-ethanol + 5.098097TryptophanolME138835----
Indole-3-ethanol + 6.3566046TryptophanolME139536----
Indole-3-ethanol + 6.4458528TryptophanolME139193----
Indoleacrylic acidIndoleacrylic acidME138901----
Indoleacrylic acid + 5.5371394Indoleacrylic acidME138947----
IndospicineIndospicineME139108----
Indoxylsulfuric acidIndoxyl sulfateME137806----
IsobutyrylglycineIsobutyrylglycineME139635----
IsoleucineIsoleucineME138355----
Isoleucine + 4.312832IsoleucineME138704----
Isoleucine + 6.546938IsoleucineME139548----
ISOLIQUIRITIGENINIsoliquiritigeninME138602----
IsoniazidIsoniazidME139369----
ISOPIMPINELLINIsopimpinellinME138558----
IsoquinolineIsoquinolineME138125----
Isoquinoline + 3.7221823IsoquinolineME138640----
ISOSAFROLEIsosafroleME137903----
Ivermectin B1a-ME139588----
KOBUSONEKobusoneME137997----
KynurenineKynurenineME138955----
L-2-Aminoadipic acidAminoadipic acidME138531----
L-4-Hydroxy-3-methoxy-a-methylphenylalanine-ME138454----
L-4-Hydroxy-3-methoxy-a-methylphenylalanine + 2.05...-ME139699----
Lactic acidLactic acidME138511----
L-Alanine n-butyl esterArabinonic acidME139140----
L-Alanine n-butyl ester + 7.122861Arabinonic acidME139274----
LamivudineLamivudineME137810----
Lanthionine ketimine-ME137803----
LeucineLeucineME139015----
Leucine + 1.5093799LeucineME139375----
Leucine + 6.6482687LeucineME139238----
Leu His CysLeu-His-CysME138438----
LeupeptinLeupeptinME138200----
Leu ProLeu-ProME139288----
Leu Pro + 7.9430532Leu-ProME139290----
LEVULINIC ACID, 3-BENZYLIDENYL--ME137901----
L-FucoseFucoseME139408----
L-gamma-Cyano-gamma-aminobutyric acid-ME139278----
L-Glutamic acid dibutyl ester-ME139143----
L-Glutamic acid n-butyl ester-ME139272----
Limonene-1,2-epoxideLimonene-1,2-epoxideME137917----
Limonene-1,2-epoxide + 1.2240425Limonene-1,2-epoxideME138249----
LinoleamideLinoleamideME139344----
Linolenoyl lysolecithinLPC 18:3ME139637----
LOMATIN-ME138382----
Lys Asn ProLys-Asn-ProME139060----
Lys Asn Pro + 5.9515862Lys-Asn-ProME139633----
Lys Gln IleLys-Gln-IleME138629----
Lys His MetLys-His-MetME138087----
Lys Leu SerLys-Leu-SerME137876----
Lys Trp ProLys-Trp-ProME138377----
Lys Val LeuLys-Val-LeuME137891----
Lyxosylamine-ME139075----
MELOXICAMMeloxicamME138983----
Met Glu CysMet-Glu-CysME139436----
MethionineMethionineME138614----
MethylglyoxalPyruvaldehydeME138508----
Methylglyoxal + 0.99377394PyruvaldehydeME139306----
Methylglyoxal + 2.6880658PyruvaldehydeME138547----
Metoprolol acid-ME138370----
Mono-N-depropylprobenecid-ME139399----
MyricetinMyricetinME138366----
N1-AcetylspermidineN1-AcetylspermidineME139557----
N-Acetyl-9-O-lactoylneuraminic acidN-Acetyl-9-O-lactoylneuraminic acidME139443----
N-AcetylarylamineN-AcetylarylamineME139020----
N-Acetyltranexamic acid-ME139129----
N-AcryloylglycineN-AcryloylglycineME138838----
NadololNadololME139098----
NalorphineNalorphineME138066----
N-Deacetylketoconazole-ME139433----
N-Didesethylquinagolide glucuronide-ME139516----
N-Didesethylquinagolide sulfate-ME138667----
NetilmicinNetilmicinME138693----
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME139478----
n-Hexanoic AcidCaproic acidME138270----
N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)-ME138097----
NiacinamideNiacinamideME138353----
NitrosobenzeneNitrosobenzeneME138491----
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)-ME138399----
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) ...-ME138403----
n-methylnicotinamideN-MethylnicotinamideME138302----
n-methylnicotinamide + 5.7782574N-MethylnicotinamideME139027----
n-methylnicotinamide + 5.9732666N-MethylnicotinamideME139068----
N,N-Didemethylchlorpromazine-ME138588----
N,N-HEXAMETHYLENEAMILORIDE-ME138623----
NorcodeineNorcodeineME138124----
Normeperidinic acidNormeperidinicacidME139095----
n-PentadecylamineN-PentadecylamineME139410----
o-Hydroxyaniline2-AminophenolME137805----
OLEANANOIC ACID ACETATE-ME137864----
Ophiobolin AOphiobolin AME138936----
Oxprenolol-ME139360----
OxymorphoneOxymorphoneME138148----
OXYQUINOLINEQuinolin-8-olME138090----
OXYQUINOLINE + 1.1740991Quinolin-8-olME138176----
OXYQUINOLINE + 5.5401073Quinolin-8-olME138949----
p-Aminobenzoic acidp-Aminobenzoic acidME138407----
p-Aminobenzoic acid + 6.457855p-Aminobenzoic acidME139532----
p-Aminobenzoic acid + 6.608752p-Aminobenzoic acidME139229----
Pantothenic AcidPantothenic acidME138501----
ParaxanthineParaxanthineME138316----
Paraxanthine + 3.9014282ParaxanthineME139445----
p-Coumaric acidcis-p-Coumaric acidME139019----
pentanamidePentanamideME139286----
PGI3PGI3ME138153----
Phe LeuPhe-LeuME139604----
PhenacetinePhenacetinME139069----
PhendimetrazinePhendimetrazineME138113----
PhenylalaninePhenylalanineME139017----
PhenylethylaminePhenylethylamineME139490----
Phenylethylmalonamide (PEMA)PhenylethylmalonamideME139431----
Phenylmethyl methyl ketonePhenylacetoneME138098----
Phosphoric acidPhosphoric acidME138019----
Phthalic acid Mono-2-ethylhexyl EsterMonoethylhexyl phthalic acidME137896----
p-HYDROXYCINNAMALDEHYDE(E)-3-(4-Hydroxyphenyl)-2-propenalME138966----
PilocarpinePilocarpineME138272----
PinacidilPindacME139208----
Pinacidil-N-Oxide-ME139281----
Podophyllotoxin (Podophyllum)-ME139387----
Poloxalene-ME138286----
Pro Arg AspPro-Arg-AspME138110----
Pro HisPro-HisME139026----
Pro His GlyPro-His-GlyME138367----
ProlineProlineME139122----
Propanoic acid, 2-hydroxy-3-[2-(2-propenyloxy)phen...-ME138338----
ProparacaineProparacaineME137835----
Propionylglycine methyl ester-ME138456----
PropofolPropofolME137922----
PropoxypheneCaffeineME139574----
Pro Pro LeuPro-Pro-LeuME138958----
Pyrazinoic acidPyrazine-2-carboxylic ccidME138470----
PyridinePyridineME138283----
Pyroglutamic acidPyroglutamic acidME139023----
Pyroglutamic acid + 6.9008365Pyroglutamic acidME139253----
QuinoneQuinoneME138507----
Quinone + 2.690432QuinoneME138542----
RhodoxanthinRhodoxanthinME137824----
Ritodrine glucuronide-ME138250----
Ritodrine glucuronide 2-ME138821----
SAFROLESafroleME138072----
Ser Pro AsnSer-Pro-AsnME138376----
stigmasta-7,22E,25-trien-3beta-olStigmasta-7,22E,25-trien-3beta-olME137941----
Succinic anhydrideSuccinic anhydrideME138539----
SuccinylacetoneSuccinylacetoneME139262----
SulfaquinoxalineSulfaquinoxalineME138504----
TacrolimusTacrolimusME139363----
TaurineTaurineME138847----
TEGASERODTegaserodME139492----
Terephthalic acidTerephthalic acidME137889----
Tetrahydrothiophene sulfoxide-ME138619----
TG(17:2(9Z,12Z)/18:0/22:3(10Z,13Z,16Z))[iso6]TG 17:2(9Z,12Z)/18:0/22:3(10Z,13Z,16Z)*ME138927----
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)*ME138908----
Tranexamic acidTranexamic acidME138372----
Tranexamic acid + 6.6438603Tranexamic acidME139233----
Trihydroxycoprostanoic acidTrihydroxycoprostanoic acidME137970----
TrimethylamineTrimethylamineME138997----
TriparanolTriparanolME138374----
Triparanol + 6.3799906TriparanolME139166----
Triparanol + 6.662329TriparanolME139240----
Triparanol + 7.607654TriparanolME139287----
TrolamineTriethanolamineME138981----
Trp PheTrp-PheME138787----
Trp Trp HisTrp-Trp-HisME137866----
Trp Tyr TyrTrp-Tyr-TyrME138620----
TylosinTylosinME138841----
Tyr ProTyr-ProME138273----
Ubiquinone-ME138143----
Ubiquinone + 1.6377995-ME139381----
UracilUracilME138351----
UreaUreaME138405----
Urea + 1.9498616UreaME139593----
Urea + 5.2478967UreaME139674----
URETHANEEthyl carbamateME138502----
UridineUridineME138352----
Uridine + 2.1526797UridineME138473----
Urocanic acidUrocanic acidME138371----
Urocanic acid + 2.6179063Urocanic acidME138533----
URSINIC ACID-ME138943----
VALERYL SALYCILATE-ME139340----
ValineValineME138394----
Valine + 6.5252156ValineME139219----
VidarabineVidarabineME138592----
VigabatrinVigabatrinME138300----
Vigabatrin + 3.9106317VigabatrinME138656----
Vigabatrin + 5.8527026VigabatrinME139039----
Vigabatrin + 6.230679VigabatrinME139115----


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
11-deoxy-11-methylene-15-keto-PGD211-Deoxy-11-methylene-15-keto-PGD2ME140038--1.1066309-
11-hydroperoxy-12,13-epoxy-9-octadecenoic acid-ME140103--1.1511214-
1,2,4-Triazole-3-carboxamide-ME140184--1.4973084-
12beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid12beta-Hydroxy-3-oxo-5beta-cholan-24-oic acidME139995--1.0898025-
1-(3-Carboxypropyl)-3,7-dimethylxanthine-ME140636--1.797599-
1,3-di-(11Z,14Z-eicosadienoyl)-2-(6Z,9Z,12Z-octade...-ME140451--5.4010916-
1,3-Dimethyluric acid1,3-Dimethyluric acidME140232--1.8525208-
1,3-Dimethyluric acid - 1.94072031,3-Dimethyluric acidME140242--1.9407203-
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME139890--1.0408382-
(+/-)-13-HDoHE13-HDoHEME140073--1.1265143-
13S-hydroxy-9E,11Z-octadecadienoic acid-ME139968--1.0768985-
16-hydroperoxy-9Z,12,14E-octadecatrienoic acid16-HpOTrEME140033--1.1063778-
17a-Ethynylestradiol 4-glucuronide-ME139787--0.85248953-
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate-ME139815--0.92224216-
1alpha,25-Dihydroxy-2-[3'-(methoxymethoxy)propylid...-ME140044--1.1097512-
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...-ME140101--1.1505421-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...-ME139935--1.0597173-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...-ME140024--1.089391-
1alpha,25-dihydroxy-2beta-butoxyvitamin D3 / 1alph...-ME139980--1.086736-
1alpha,2beta,25-trihydroxy-19-norvitamin D3 / 1alp...-ME139933--1.0588114-
1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-ben...-ME140074--1.1274693-
1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuter...-ME140037--1.1056118-
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...-ME140413--4.97241-
1H-Imidazole-4-carboxamide, 5-[3-(hydroxymethyl)-3...-ME140148--1.2768117-
1-Hydroxyvitamin D3 diacetate-ME140060--1.1127288-
1-Methylguanosine1-MethylguanosineME140267--1.969839-
1-Methylinosine1-MethylinosineME140318--2.255001-
1-Methyluric acid1-Methyluric acidME140319--2.2793014-
1-Methyluric acid - 2.68321871-Methyluric acidME140341--2.6832187-
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...-ME140394--4.3118987-
1-O-(1Z-hexadecenyl)-2-(4Z,7Z,10Z,13Z,16Z,19Z-doco...-ME140400--4.375872-
(20S)-1alpha,20,25-trihydroxyvitamin D_3 / (20S)-1...-ME139934--1.0598555-
2,2-Dimethylsuccinic acid2,2-Dimethylsuccinic acidME140180--1.4739592-
(22E,24E)-1alpha,25-dihydroxy-22,23,24,24a-tetrade...-ME140078--1.0917845-
(22R)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...-ME139867--1.0326495-
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME139823--0.9199644-
23-methyl-5Z,9Z-tetracosadienoic acid-ME139921--1.0513964-
2,3-Naphthalenedicarboxylic acid-ME140333--2.5892563-
2,3-Naphthalenedicarboxylic acid - 2.702536-ME140343--2.702536-
2,3-Naphthalenedicarboxylic acid - 2.7786124-ME140347--2.7786124-
24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethyl-...-ME140105--1.1405823-
2,4-DICHLOROPHENOXYACETIC ACID2,4-Dichlorophenoxyacetic acidME139716--0.6518314-
2,4-DICHLOROPHENOXYACETIC ACID - 0.937425732,4-Dichlorophenoxyacetic acidME140673--0.93742573-
2,4-DICHLOROPHENOXYBUTYRIC ACID, METHYL ESTER-ME139765--0.8901311-
2,4-DICHLOROPHENOXYBUTYRIC ACID, METHYL ESTER - 1....-ME140080--1.1258451-
2,4-DINITROPHENOL2,4-DinitrophenolME139847--0.9808641-
(24R)-1alpha,24,25-trihydroxyvitamin D2 / (24R)-1a...(24R)-1alpha,24,25-Trihydroxyvitamin D2ME139956--1.0698428-
(24S)-1alpha,24,25-trihydroxy-22-oxavitamin D3 / (...-ME140052--1.11575-
25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epox...25-Hydroxy[26,27-methyl]vitamin D3 3beta-(1,2-epoxypropyl)etherME139970--1.0784656-
26,27-diethyl-1alpha,25-dihydroxy-20,21-methano-23...-ME139998--1.0911984-
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene ...-ME140426--5.254733-
2-(Fluoromethoxy)-1,1,3,3,3-pentafluoro-1-propene ...-ME140488--5.56906-
2-Heptenedioic acid, 4-oxo--ME140633--1.5366391-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid-ME140149--1.2184952-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid...-ME140617--1.1841643-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME140323--2.2981968-
2-Hydroxyethinylestradiol2-HydroxyethinylestradiolME139834--0.9556034-
2-Hydroxyethinylestradiol - 1.97116672-HydroxyethinylestradiolME140269--1.9711667-
2-Hydroxyfelbamate2-HydroxyfelbamateME139773--0.8071837-
2-Methoxyestrone 3-glucuronide2-Methoxyestrone 3-glucuronideME140145--1.1994473-
2-Methyl-3-ketovaleric acid2-Methyl-3-ketovaleric acidME140322--2.380169-
2-methyl-tridecanedioic acid2-Methyl-tridecanedioic acidME140064--1.1205089-
2-Naphthaleneacetic acid, 6-hydroxy-2-Octenoic acidME140564--0.8081368-
2-Oxo-3-hydroxy-4-phosphobutanoate2-Oxo-3-hydroxy-4-phosphobutanoic acidME139799--0.88811946-
2-oxo capric acid2-Oxo capric acidME140062--1.142973-
2-oxoisocaproic acidKetoleucineME140317--2.2028594-
2-Propylglutaric acid2-Propylglutaric acidME140151--1.2877134-
2-propyl-tridecanoic acid2-Propyl-tridecanoic acidME139895--1.0415518-
3,3-Dimethylglutarate-ME140624--1.3834422-
3,4,5-TrihydroxystilbeneResveratrolME139736--0.73002815-
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-dioneME140241--1.9586757-
3,6,8-dodecatrien-1-ol3,6,8-Dodecatrien-1-olME140614--1.1366317-
3,7,12-Trioxochol-5-en-24-oic Acid-ME139813--0.93587273-
3,7-EPOXYCARYOPHYLLAN-6-ONE-ME140034--1.0985756-
3,9,15-Docosatriynoic acid3,9,15-Docosatriynoic acidME139892--1.0415773-
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-ch...3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acidME140360--2.8502896-
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acidME139986--1.0717597-
3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-c...3alpha,7alpha,12alpha-Trihydroxy-24-methyl-5beta-cholest-23-en-26-oic acidME140111--1.1177537-
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME140502--5.8024077-
3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic ...3beta,6alpha,7beta-Trihydroxy-5beta-cholan-24-oic acidME140021--1.102059-
3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic A...3beta,7beta-Dihydroxy-12-oxo-5beta-cholan-24-oic acidME140056--1.1135335-
3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acid3beta,7beta-Dihydroxy-5beta-cholestan-26-oic acidME139925--1.0573045-
3-Dehydroquinic acid3-DehydroquinateME140376--3.3175597-
3-Deoxy-3-azido-25-hydroxyvitamin D3-ME139941--1.0617051-
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME140351--2.8625486-
3-DESMETHYL-5-DESHYDROXYSCLEROIN3-Desmethyl-5-deshydroxyscleroinME140566--0.8328858-
3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME140071--1.1276501-
3E-undecenoic acid3E-Undecenoic acidME140088--1.1442921-
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid-ME140705--4.9459333-
3-Hydroxysuberic acid3-Hydroxysuberic acidME140315--2.165642-
3-(Imidazol-4-yl)-2-oxopropyl phosphateImidazole acetol-phosphateME140275--1.9674133-
3-Indoleacetic AcidIndoleacetic acidME140687--1.1449207-
3-Indolepropionic acid3-Indolepropionic acidME140048--1.1133118-
3-keto palmitic acid3-Ketopalmitic acidME139971--1.082288-
3-Methylindole3-MethylindoleME140076--1.1423597-
3-Methylxanthine3-MethylxanthineME140203--1.5744089-
3-NOR-3-OXOPANASINSAN-6-OL-ME140027--1.1008831-
4-(2-Hydroxy-3-isopropylaminoproxy)-benzyloxy acet...-ME140040--1.1091374-
4-(2-hydroxypropoxy)-3,5-dimethyl-Phenol-ME140618--1.1818466-
4,7,10,13,16-docosapentaenoic acid4,7,10,13,16-Docosapentaenoic acidME139879--1.0359886-
4,8-dimethyl-dodecanoic acid4,8-Dimethyl-dodecanoic acidME140599--1.0540603-
4-AMINOETHYLBENZENESULFONYL FLUORIDE-ME140270--1.9633558-
4'-Apo-3,4-didehydrolycopene/ (4-Apo-3',4'-didehyd...-ME140087--1.1279049-
,4-Dimethoxyphenethylamine3,4-DimethoxyphenylethylamineME140091--1.1427581-
4-dodecynoic acid4-Dodecynoic acidME139973--1.0759698-
4-Hydroxybenzyl cyanide4-HydroxybenzeneacetonitrileME139766--0.7924188-
4-hydroxy lauric acid4-Hydroxylauric acidME140090--1.1435484-
4-hydroxy pelargonic acid4-Hydroxypelargonic acidME140117--1.1650017-
4Z,7Z,10Z,13Z-eicosatetraenoic acid4Z,7Z,10Z,13Z-Eicosatetraenoic acidME139888--1.0386413-
5,11-Eicosadienoic acid5,11-Eicosadienoic acidME140583--1.0350163-
5-[2-(hydroxymethyl)-5-methylphenoxy]-2,2-dimethyl...-ME140116--1.1300397-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...-ME140260--1.9671462-
(+/-)5,6-DiHETrE5,6-DiHETrEME140015--1.0998138-
5,6-Dihydrouridine5,6-DihydrouridineME140227--1.7604738-
5,9-tetracosadienoic acid-ME139905--1.0463288-
5-Acetyl-4-methylthiazole5-Acetyl-4-methylthiazoleME140183--1.4993798-
5a-Tetrahydrocorticosterone5alpha-TetrahydrocorticosteroneME140013--1.0992585-
5beta-Androstan-3alpha-ol-17-one sulfate5beta-Androstan-3alpha-ol-17-one sulfateME139806--0.8973279-
5beta-Cholane-3alpha,24-diol-ME139924--1.0545899-
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-S...-ME140655--3.0500865-
5beta;-CHOLANIC ACID-3alpha;, 12alpha;-DIOL N-(2-S...-ME140657--3.1736035-
(5E,10E)-19-(3-carboxylpropyl)vitamin D3 / (5E,10E...-ME140004--1.0710083-
5'-Hydroxysulfapyridine glucuronide-ME140678--1.0767686-
5-methyl-2E-tridecenoic acid5-Methyl-2E-tridecenoic acidME140602--1.0580504-
5-octadecylenic acid6-Octadecylenic acidME139886--1.0368551-
6alpha-Hydroxycastasterone6alpha-HydroxycastasteroneME139955--1.0700508-
6alpha-METHYLPREDNISOLONE ACETATE-ME140578--1.0240637-
6-Hydroxynicotinic acid6-Hydroxynicotinic acidME139946--1.0644873-
6-Methoxy-2-naphthylacetic acid6-Methoxy-2-naphthylaceticacidME140175--1.3948398-
6-Methoxy-2-naphthylacetic acid - 1.53839956-Methoxy-2-naphthylaceticacidME140200--1.5383995-
6-Methylthioguanine-ME139870--1.02634-
(6S)-1alpha,25-dihydroxyvitamin D3 6,19-sulfur dio...-ME139777--0.8264969-
7-Dehydrologanin tetraacetate7-Dehydrologanin tetraacetateME140570--0.8552172-
7-Ethoxycoumarin7-EthoxycoumarinME140642--2.0200706-
7-Hydroxyfluphenazine glucuronide-ME140575--0.9356952-
7-Hydroxymethotrexate7-HydroxymethotrexateME140248--1.9490175-
7-Hydroxyoctanoic acid7-Hydroxyoctanoic acidME140119--1.1756889-
7-hydroxy Tetranor Iloprost-ME139951--1.0655414-
7-palmitoleic acid7-Palmitoleic acidME139907--1.0458771-
8,13-dihydroxy-9,11-octadecadienoic acid8,13-DiHODEME140014--1.1000245-
9,12,14-octadecatrienoic acid9,12,14-Octadecatrienoic acidME139908--1.0452757-
9,13-dihydroxy-11-octadecenoic acid9,13-DiHOME(11)ME140006--1.0940467-
9-lauroleic acid9-Dodecenoic acidME139976--1.0810757-
ABSCISIC ACID (cis,trans)Abscisic acidME140045--1.1120745-
AcenocoumarolAcenocoumarolME139742--0.7453638-
Acetoacetic acidAcetoacetic acidME140003--1.083087-
Acetoacetic acid - 2.6111403Acetoacetic acidME140332--2.6111403-
Acetoacetic acid - 2.7794967Acetoacetic acidME140340--2.7794967-
AcetoinAcetoinME140157--1.31947-
AcipimoxAcipimoxME140313--2.1570835-
Acrylic acidAcrylic acidME140335--2.688724-
a-hydroxyisovalerate2-Hydroxy-3-methylbutyric acidME140158--1.3197827-
a-hydroxyisovalerate - 1.50147492-Hydroxy-3-methylbutyric acidME140187--1.5014749-
AllantoinAllantoinME140225--1.7481529-
Allantoin - 1.9150978AllantoinME140259--1.9150978-
Allantoin - 2.0730007AllantoinME140308--2.0730007-
AllysineAllysineME140294--2.0350397-
alpha-hydroxyisobutyrate2-Hydroxyisobutyric acidME140174--1.3954662-
alpha-hydroxyisobutyrate - 1.53361982-Hydroxyisobutyric acidME140199--1.5336198-
alpha-hydroxyisobutyrate - 5.1064582-Hydroxyisobutyric acidME140661--5.106458-
ANGOLENSIC ACID, METHYL ESTER-ME139846--0.976117-
ANGOLENSIN (R)-ME139771--0.8031628-
AnhydrorhodovibrinAnhydrorhodovibrinME139963--1.0722339-
ArbekacinArbekacinME140591--1.0458964-
Arg Met ThrArg-Met-ThrME140619--1.1827407-
Arg Phe ArgArg-Phe-ArgME140429--5.3455305-
Asn Thr PheAsn-Thr-PheME140593--1.0438757-
Asp Gly GlyAsp-Gly-GlyME139827--0.9432561-
BenazeprilatBenazeprilatME140129--1.1856011-
BenzeneBenzeneME140370--3.0336587-
Benzoic acidBenzoic acidME139859--1.0264018-
Benzoic acid - 1.0895942Benzoic acidME139997--1.0895942-
Benzyl alcoholBenzyl alcoholME139753--0.76441646-
Benzyl alcohol - 1.1619599Benzyl alcoholME140112--1.1619599-
beta-Alaninebeta-AlanineME140545--6.8590274-
bicyclo-PGE2Bicyclo-PGE2ME140123--1.1298813-
Bifemelane (M4)-ME139758--0.7816851-
BilirubinBilirubinME139931--1.0526514-
Biliverdin IXBiliverdinME140128--1.1910514-
Biliverdin IX - 1.3259428BiliverdinME140153--1.3259428-
BUFEXAMACBufexamacME140643--2.2581103-
Bumetanide M1-ME140122--1.1737663-
B-ureidoisobutyric acid-ME140548--6.90165-
CastasteroneCastasteroneME140680--1.1069212-
Chenodeoxycholic acid sulfateChenodeoxycholic acid sulfateME139862--1.015848-
Cholesterol sulfateCholesterol sulfateME139775--0.81566954-
CilastatinCilastatinME140480--5.6328225-
CreatinineCreatinineME140392--3.9833267-
CystineCystineME140720--5.1538153-
Cys Tyr MetCys-Tyr-MetME140576--0.93840325-
D1-2-Hydroxymethylethisterone-ME139819--0.93322694-
D1-2-Hydroxymethylethisterone - 1.9729741-ME140261--1.9729741-
Dehydronifedipine-ME140218--1.6309508-
Demethylclomipramine-ME140556--0.76193076-
Demethylmethoxsalen-ME139745--0.75294673-
deschlorobenzoyl Indomethacin-ME140656--3.1186907-
DesmosineDesmosineME140430--5.3001194-
D-GlucoseGlucoseME140334--2.5917861-
D-Glucose - 2.7780893GlucoseME140346--2.7780893-
DiacetylDiacetylME139856--1.007082-
Diacetyl - 1.6697811DiacetylME140223--1.6697811-
Dibenzo[b,e]thiepin, 1-propanamine deriv-ME140541--6.5142407-
Dihydroxyacetone (glycerone)DihydroxyacetoneME140475--5.485711-
Dihydroxyacetone (glycerone) - 2.5921504DihydroxyacetoneME140696--2.5921504-
dihydroxyacetone phosphate (DHAP)Dihydroxyacetone phosphateME139801--0.88888854-
DIMETHYLCAFFEIC ACID-ME140289--2.0222857-
DL-3-hydroxy caproic acid3-Hydroxycaproic acidME140159--1.3305575-
Docosanedioic acidDocosanedioic acidME139944--1.0686239-
Dodecaprenyl phosphate-galacturonic acidDodecaprenyl phosphate-galacturonic acidME140709--1.0679086-
D-Phenyllactic acidL-3-Phenyllactic acidME140092--1.1437984-
D-UrobilinogenD-UrobilinogenME140612--1.0850482-
EcgonineEcgonineME140542--6.5143647-
Eicosanedioic acidEicosanedioic acidME139972--1.0820543-
EmbelinEmbelinME139713--0.6474809-
Embelin - 0.8075919EmbelinME139776--0.8075919-
Embelin - 1.0076177EmbelinME139857--1.0076177-
Embelin - 1.105527EmbelinME140029--1.105527-
Embelin - 1.2979721EmbelinME140621--1.2979721-
Embelin - 1.9461942EmbelinME140243--1.9461942-
Embelin - 1.9698637EmbelinME140276--1.9698637-
Embelin - 5.0215707EmbelinME140414--5.0215707-
Ethacrynic acidEthacrynic acidME140466--5.454551-
Ethanolamine phosphate (Phosphoethanolamine)PhosphoethanolamineME140263--1.9664164-
FenoprofenFenoprofenME140550--0.7209766-
FexofenadineFexofenadineME140432--5.319173-
fludrocortisoneFludrocortisoneME139805--0.8892744-
FluoresceinFluoresceinME140144--1.1986483-
Fumaric acidFumaric acidME139852--0.99849445-
GemfibrozilGemfibrozilME140011--1.1106489-
Gentisic acidGentisic acidME139864--1.0239431-
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z))-ME140393--4.291109-
Glc-GP(18:0/20:4(5Z,8Z,11Z,14Z)) - 4.3366427-ME140396--4.3366427-
Glucoheptonic acidGlucoheptonic acidME140215--1.6262119-
Glu Glu ArgGlu-Glu-ArgME140068--1.1250521-
Glutaconic acidGlutaconic acidME139855--1.0055801-
Glutaral (Glutaraldehyde)GlutaralME140177--1.4589323-
Glutaral (Glutaraldehyde) - 1.5350673GlutaralME140198--1.5350673-
glyceraldehydeGlyceraldehydeME140546--6.669476-
GlycolaldehydeGlycolaldehydeME140629--1.5325236-
Glycolaldehyde - 2.7607846GlycolaldehydeME140697--2.7607846-
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME140410--4.6801243-
Glycoursodeoxycholic acid - 4.796306Glycoursodeoxycholic acidME140411--4.796306-
Glyoxylic acidGlyoxylic acidME140698--4.658795-
GPEtn(16:0/18:2(9Z,12Z))PE 16:0/18:2(9Z,12Z)*ME140422--5.139908-
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME140398--4.37748-
GPEtn(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) - 4.432953...PE 16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME140403--4.4329534-
GPEtn(18:0/0:0)LPE 18:0/0:0ME140535--6.441452-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U]PE 18:0/20:4(5Z,8Z,11Z,14Z)*ME140397--4.361787-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 4.411743PE 18:0/20:4(5Z,8Z,11Z,14Z)*ME140402--4.411743-
GPEtn(18:0/20:4(5Z,8Z,11Z,14Z))[U] - 5.0317707PE 18:0/20:4(5Z,8Z,11Z,14Z)*ME140416--5.0317707-
GPEtn(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PE 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME140417--4.999873-
GPEtnNMe(16:0/18:1(9Z))-ME140423--5.135334-
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]-ME140418--5.097229-
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z))PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME140399--4.3383937-
GPEtn(O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)) - 4.972112PE O-16:0/22:5(4Z,7Z,10Z,13Z,16Z)*ME140412--4.972112-
GPGro(17:0/20:4(5Z,8Z,11Z,14Z))PG 17:0/20:4(5Z,8Z,11Z,14Z)*ME140420--5.0991473-
GPSer(18:0/20:4(5Z,8Z,11Z,14Z))PS 18:0/20:4(5Z,8Z,11Z,14Z)*ME140419--5.10199-
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME140415--5.031182-
griseorhodin AGriseorhodin AME140650--2.7929454-
GuaiacolGuaiacolME139727--0.7171119-
Hexadecanedioic acidHexadecanedioic acidME140030--1.1046736-
Hippuric acidHippuric acidME140369--3.0313997-
Hydantoin-5-propionic acidHydantoin-5-propionic acidME140238--1.9154087-
Hydrocortisone caproateHydrocortisone caproateME140690--1.1929646-
HYDROLYSIS PRODUCT OF BUSSEIN-ME140118--1.1667608-
HYDROLYSIS PRODUCT OF BUSSEIN - 1.9642363-ME140258--1.9642363-
HypoxanthineHypoxanthineME140331--2.5793762-
ImidazoloneImidazoloneME139717--0.65606064-
Imidazolone - 0.95026875ImidazoloneME139842--0.95026875-
Imidazolone - 1.1720481ImidazoloneME140120--1.1720481-
Imidazolone - 2.03967ImidazoloneME140305--2.03967-
Indoxylsulfuric acidIndoxyl sulfateME139764--0.79179853-
IsoacitretinIsoacitretinME139830--0.9435931-
Isoacitretin - 1.9718536IsoacitretinME140268--1.9718536-
Isoacitretin - 2.8220913IsoacitretinME140361--2.8220913-
ISOEUGENITOLIsoeugenitolME140649--2.78455-
isoflurophateIsoflurophateME140226--1.7370381-
Isoquinoline N-oxide-ME140049--1.1095375-
KetoleucineKetoleucineME140391--3.9798589-
KOBUSONEKobusoneME139906--1.0506043-
LactaldehydeLactaldehydeME140173--1.3948408-
Lactaldehyde - 1.8436897LactaldehydeME140236--1.8436897-
Lactaldehyde - 1.9245304LactaldehydeME140637--1.9245304-
Lactic acidLactic acidME140648--2.7752757-
Lactone of PGF-MUM-ME140113--1.1624509-
Lecanoric acidLecanoric acidME140324--2.429789-
LeucineLeucineME140495--5.729006-
LEVULINIC ACID, 3-BENZYLIDENYL--ME140635--1.6234778-
L-gamma-Cyano-gamma-aminobutyric acid-ME140357--2.9196572-
Limonene-1,2-epoxideLimonene-1,2-epoxideME140616--1.1469882-
LorazepamLorazepamME140325--2.502062-
Lorazepam - 2.8117664LorazepamME140349--2.8117664-
Lys Cys HisLys-Cys-HisME139835--0.9772623-
Lys Cys His - 1.0133727Lys-Cys-HisME139876--1.0133727-
MADECASSIC ACID-ME140610--1.1138122-
MERBROMIN-ME140458--5.401387-
Mesalamine-ME139932--1.0596817-
MethionineMethionineME140507--5.878307-
Met His LysMet-His-LysME139844--0.97052854-
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate-ME140007--1.1000305-
MethylglyoxalPyruvaldehydeME139853--1.0001063-
Methyl jasmonateMethyl jasmonateME140081--1.1365737-
Mono-N-depropylprobenecid-ME140296--2.026425-
m-Salicylic acid3-Hydroxybenzoic acidME139850--0.9760224-
Murocholic acidMurideoxycholic acidME139958--1.0708891-
Murocholic acid - 1.1891849Murideoxycholic acidME140137--1.1891849-
Murocholic acid - 1.323932Murideoxycholic acidME140160--1.323932-
N- (2-AMINOETHYL)-4-CHLOROBENZAMIDE (RO-16-6491)-ME139954--1.0659298-
N-Acetyl-5-aminosalicylic acid-ME140384--3.5030603-
N-Acetyl-5-hydroxysulfapyridine-ME140205--1.6175979-
N-AcetylarylamineN-AcetylarylamineME140368--3.0335941-
N-Acetylgalactosamine 4-sulphateN-Acetyl-D-glucosamineME140150--1.2783242-
NaproxenNaproxenME140558--0.7722246-
N-formylmethionineN-FormylmethionineME140387--3.571371-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME140421--5.133795-
n-Hexanoic AcidCaproic acidME140143--1.1958305-
NIMUSTINE-ME140472--5.5330176-
Normetanephrine glucuronide-ME140367--3.0297897-
O-DesmethylnaproxenO-DesmethylnaproxenME139762--0.7891679-
ORTHOTHYMOTINIC ACID-ME140099--1.1786828-
OSTHOLOstholeME139748--0.7559433-
OXOLINIC ACIDOxolinicacidME140506--5.877554-
Oxymetholone-ME140066--1.1249424-
Panaxynol-ME140075--1.130511-
Parahydroxyphenylacetic acid-ME140108--1.1404095-
Parahydroxyphenylacetic acid - 0.7270009-ME140552--0.7270009-
Parahydroxyphenylacetic acid - 1.0767124-ME140679--1.0767124-
ParaxanthineParaxanthineME140154--1.3169199-
PEUCEDANINPeucedaninME140565--0.81379384-
PGB3PGB3ME139904--1.1497705-
PhenolPhenolME139751--0.7595993-
PhenylalaninePhenylalanineME140482--5.638607-
Phenyl sulfatePhenyl hydrogen sulfateME139752--0.7613782-
Phthalic acid Mono-2-ethylhexyl EsterMonoethylhexyl phthalic acidME140077--1.1274997-
Prednicarbate-ME139927--1.0513736-
Pregnanolone sulfate-ME139798--0.8868142-
Pregnenolone sulfatePregnenolone sulfateME139784--0.8499369-
ProcarbazineProcarbazineME140023--1.0835094-
Procarbazine - 1.0658925ProcarbazineME140582--1.0658925-
ProlineProlineME140513--6.250035-
PseudouridinePseudouridineME140314--2.1573422-
PteridinePteridineME140220--1.6441826-
PurinePurineME139715--0.64599144-
Purine - 0.85180575PurineME139782--0.85180575-
Purine - 0.9651424PurineME139837--0.9651424-
Purine - 1.9555072PurineME140274--1.9555072-
PyrocatecholPyrocatecholME139732--0.71577495-
Pyrocatechol - 0.9365421PyrocatecholME139831--0.9365421-
Pyrocatechol - 1.0253521PyrocatecholME140579--1.0253521-
Pyrocatechol sulfateCatechol sulfateME139728--0.71349394-
PYROGALLIN1,2,3-TrihydroxybenzeneME140237--1.9216946-
Pyroglutamic acidPyroglutamic acidME140499--5.763102-
Pyrrole-2-carboxylic acidPyrrole-2-carboxylic acidME140214--1.6228802-
Pyruvic acidPyruvic acidME140379--3.4656305-
Quinaldic acidQuinaldic acidME140085--1.1376376-
RhodovibrinRhodovibrinME140069--1.1288389-
RibuloseL-RibuloseME140383--3.610877-
SaccharinSaccharinME140721--0.95127445-
SAPPANONE A 7-METHYL ETHER-ME139723--0.70591396-
Ser Asp GlySer-Asp-GlyME140487--5.6421533-
Ser Phe LysSer-Phe-LysME140568--0.85098267-
Spheroidenone-ME140042--1.0998391-
Stearic acidStearic acidME139874--1.0339742-
Succinic acidSuccinic acidME140235--1.8438562-
Succinic anhydrideSuccinic anhydrideME140233--1.8462903-
Sulfadoxine suflate-ME140168--1.3902026-
Sulfate-ME139828--0.86388755-
Sulfate - 0.96911985-ME139945--0.96911985-
SulfisoxazoleSulfisoxazoleME140497--5.7364345-
Sulfite-ME139769--0.7893286-
Sulfolithocholic acidLithocholic acid sulfateME139807--0.9001632-
SulfolithocholylglycineSulfoglycolithocholic acidME140356--2.883989-
TaurineTaurineME140425--5.170413-
TeasteroneTeasteroneME139920--1.051482-
TENIPOSIDETeniposideME140685--1.1241754-
Testosterone sulfateTestosterone sulfateME139735--0.72462183-
Testosterone sulfate - 0.86699945Testosterone sulfateME139794--0.86699945-
Tetracosanedioic acidTetracosanedioic acidME140594--1.0492009-
Tetranor Iloprost-ME140067--1.1276175-
TheobromineTheobromineME140178--1.4483591-
ThreonateThreonic acidME140350--2.8534584-
Thr Ile GlnThr-Ile-GlnME140124--1.1556512-
Traumatic acidTraumatic acidME140098--1.143463-
Tricosanedioic acidTricosanedioic acidME139922--1.0509782-
Trihydroxycoprostanoic acidTrihydroxycoprostanoic acidME139959--1.0702078-
TriparanolTriparanolME140019--1.1065028-
Trp Gln GlnTrp-Gln-GlnME140046--1.1103233-
TryptophanTryptophanME140471--5.528442-
TUBAIC ACID-ME140244--1.9441836-
Tuberonic acidTuberonic acidME140106--1.1534125-
Tyr Leu ArgTyr-Leu-ArgME140389--3.8415985-
UracilUracilME140219--1.6220974-
Uric acidUric acidME140381--3.4419954-
UridineUridineME140209--1.6219187-
ValineValineME140510--6.045695-
XanthineXanthineME140231--1.8483262-
Xanthine - 1.9284873XanthineME140239--1.9284873-


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
10-hydroxy-8E-Decene-2,4,6-triynoic acid-ME141097----
11-deoxy-PGE211-Deoxy-PGE2ME141616----
12,13-dihydroxy-11-methoxy-9-octadecenoic acid12,13-Dihydroxy-11-methoxy-9-octadecenoic acidME141268----
12-amino-dodecanoic acid12-Aminododecanoic acidME141037----
1,2-di-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-...-ME141622----
1,2 di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-Beta-D-ga...-ME141816----
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME141609----
13E,17-octadecadienoic acid + 11.91078213E,17-Octadecadienoic acidME141886----
13E,17-octadecadienoic acid + 12.07368213E,17-Octadecadienoic acidME141889----
13E,17-octadecadienoic acid + 12.29200313E,17-Octadecadienoic acidME141901----
13E,17-octadecadienoic acid + 12.45750413E,17-Octadecadienoic acidME141906----
13(S)-HpOTrE(gamma)13S-HpOTrE(gamma)ME141474----
13S-hydroxy-9E,11Z-octadecadienoic acid-ME141539----
15-methyl-15S-PGD215-Methyl-15S-PGD2ME141187----
15-methyl-15S-PGD2 + 10.41070415-Methyl-15S-PGD2ME141211----
15-methyl-15S-PGD2 + 10.56544115-Methyl-15S-PGD2ME141225----
15(R)-HEDE15R-HEDEME141961----
1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-2-(7Z,10Z,13Z,1...-ME141626----
16,16-dimethyl-PGF2beta16,16-Dimethyl-PGF2betaME141872----
16a-Hydroxydydrogesterone glucoronide-ME141024----
17a-Hydroxyprogesterone17alpha-HydroxyprogesteroneME141495----
17alpha-hydroxypregnenolone17alpha-HydroxypregnenoloneME141987----
(17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,...-ME141633----
18-Hydroxycorticosterone18-HydroxycorticosteroneME141021----
18-oxo-nonadecanoic acid18-Oxononadecanoic acidME141592----
18-oxo-nonadecanoic acid + 13.65704618-Oxononadecanoic acidME141631----
1,9Z,16-heptadecatrien-4,6-diyn-3,8-diol-ME141812----
1a,1b-dihomo-15-deoxy-delta-12,14-PGD21a,1b-Dihomo-15-deoxy-delta-12,14-PGD2ME141702----
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...-ME141258----
1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa...-ME141599----
1alpha-hydroxy-21-nor-20-oxavitamin D3 / 1alpha-hy...-ME141565----
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phen...-ME140948----
1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phen...-ME140989----
1-Aminocyclohexanecarboxylic acid1-Azaniumylcyclohexane-1-carboxylateME140817----
1-Aminocyclohexanecarboxylic acid + 1.23534541-Azaniumylcyclohexane-1-carboxylateME140842----
1-Aminocyclopropane-1-carboxylic acid1-Aminocyclopropanecarboxylic acidME141743----
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...-ME141581----
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...-ME141614----
1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin...-ME141653----
1-eicosanoyl-rac-glycerolMG 20:0ME141605----
1-heneicosanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahex...-ME141995----
1-heptadecanoyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)...PG 17:0_20:4(5Z,8Z,11Z,14Z)ME141908----
1-heptadecanoyl-rac-glycerol-ME141681----
1-hexadecanoyl-sn-glycerolMG 16:0/0:0/0:0ME141623----
1-hexadecanoyl-sn-glycerol + 13.638916MG 16:0/0:0/0:0ME141627----
1-Hexadecylamine1-HexadecylamineME141071----
1-Hexadecylamine + 10.7112691-HexadecylamineME141269----
1-Methyladenosine1-MethyladenosineME140854----
1-methylhistidine1-MethylhistidineME140767----
1-octadecanoyl-rac-glycerolMG 18:0ME141703----
1-octadecanoyl-rac-glycerol + 14.688478MG 18:0ME141719----
(1R,2R)-3-oxo-2-pentyl-cyclopentanehexanoic acid(1R,2R)-3-Oxo-2-pentyl-cyclopentanehexanoic acidME141366----
(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid(1S,2S)-3-Oxo-2-pentyl-cyclopentanebutanoic acidME141591----
20alpha-Dihydroprednisolone20alpha-dihydroprednisoloneME141391----
20alpha-Dihydroprednisone-ME141028----
20-oxo-heneicosanoic acid20-Oxoheneicosanoic acidME141704----
20-oxo-heneicosanoic acid + 14.69014820-Oxoheneicosanoic acidME141717----
(23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lact...-ME141362----
2,4-Dihydroxybutyric acid2,4-Dihydroxybutanoic acidME140722----
24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetr...-ME141707----
24-Nor-5beta-cholane-3alpha,7beta,22,23-tetrol-ME141718----
25-azavitamin D3 / 25-azacholecalciferol-ME141468----
25-azavitamin D3 / 25-azacholecalciferol + 12.0819...-ME141476----
2-Amino-2-methyl-1-propanol-ME141748----
2-Amino-3-methyl-1-butanol-ME141173----
2-Amino-3-methyl-1-butanol + 10.085568-ME141180----
2-Amino-3-methyl-1-butanol + 10.351037-ME141205----
2-Amino-3-methyl-1-butanol + 10.517659-ME141221----
2-Amino-3-methyl-1-butanol + 10.61672-ME141229----
2-Amino-3-methyl-1-butanol + 10.7055645-ME141245----
2-Amino-3-methyl-1-butanol + 10.748854-ME141257----
2-Amino-3-methyl-1-butanol + 11.012477-ME141295----
2-Amino-3-methyl-1-butanol + 11.133931-ME141306----
2-Amino-3-methyl-1-butanol + 11.151311-ME141311----
2-Amino-3-methyl-1-butanol + 11.254089-ME141323----
2-Amino-3-methyl-1-butanol + 11.316804-ME141338----
2-Amino-3-methyl-1-butanol + 11.528235-ME141400----
2-Amino-3-methyl-1-butanol + 12.160485-ME141497----
2-Amino-3-methyl-1-butanol + 12.509543-ME141523----
2-Amino-3-methyl-1-butanol + 8.130119-ME141778----
2-amino-tetradecanoic acid2-Aminotetradecanoic acidME141811----
2-decylenic acid2-Decenoic acidME141601----
2-Deoxyglucose2-Deoxy-glucoseME141750----
2-Deoxyglucose + 1.01068462-Deoxy-glucoseME141752----
2E,4Z-hexadecadienoic acid-ME141828----
2E,4Z-hexadecadienoic acid + 10.974914-ME141837----
2E,4Z-hexadecadienoic acid + 11.287469-ME141852----
2-Hydroxyadipic acid2-Hydroxyadipic acidME141981----
2-ISOPROPYL-3-METHOXYCINNAMIC ACID2-Isopropyl-3-methoxycinnamic acidME141356----
2-propyl-tridecanoic acid2-Propyl-tridecanoic acidME141629----
2R-aminohexadecanoic acid2R-Aminohexadecanoic acidME141578----
3,3,45-Tetrahydroxystilbene-ME141786----
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-dioneME141101----
3,4-Dihydroxybutyric acid3,4-Dihydroxybutyric acidME140822----
3,6,8-dodecatrien-1-ol3,6,8-Dodecatrien-1-olME141655----
3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-ch...3alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acidME141597----
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME140861----
3-Amino-3-(4-hydroxyphenyl)propanoate + 1.7813773beta-TyrosineME140862----
3-Aminopropanal3-AminopropionaldehydeME140773----
3-(a-Naphthoxy)lactic acid glucuronide-ME140778----
3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid3-Deoxy-D-glycero-D-galacto-2-nonulosonic acidME140874----
3E,13Z-octadecadien-1-ol3E,13Z-Octadecadien-1-olME141705----
3E,13Z-octadecadien-1-ol + 14.6883053E,13Z-Octadecadien-1-olME141724----
3E,5E-tridecadienoic acid3E,5E-Tridecadienoic acidME141642----
3-Guanidinopropionic acid3-Guanidinopropanoic acidME140803----
3-Hydroxy-4-methoxyphenylacetic acid-ME141102----
3-keto palmitic acid3-Ketopalmitic acidME142001----
3-keto palmitic acid + 11.5551593-Ketopalmitic acidME142004----
3-methyl valeric acid3-Methylvaleric acidME140871----
3-n-decyl acrylic acid-ME141989----
3-O-Methyldobutamine-ME141131----
3-O-Methyldobutamine + 9.71352-ME141153----
3-O-Sulfogalactosylceramide-ME141903----
3-Oxochola-1,4,6-trien-24-oic Acid3-Oxochola-1,4,6-trien-24-oic acidME141625----
4,8,12,15,19,21-tetracosahexaenoic acid4,8,12,15,19,21-Tetracosahexaenoic acidME141809----
4-Amino-6,7-dimethoxy-2-(1-piperazinyl)quinazoline-ME140975----
4-Chloro-N1-methyl-N1-(4-carboxy-2-hydroxy-2-methy...-ME141935----
4-Oxo-4-(3-pyridyl)-butanoic acid-ME140962----
5,11,14,17-Eicosatetraenoic acid-ME141897----
5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylh...5-(3,4-Dihydroxy-1,5-cyclohexadien-1-yl)-5-phenylhydantoinME140960----
5-methyl-tetradecanedioic acid-ME141459----
6alpha-Hydroxycastasterone6alpha-HydroxycastasteroneME141568----
6-Formylindolo [3,2-B] carbazole6-Formylindolo[3,2-B]carbazoleME140941----
(6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,1...-ME141964----
6Z,9Z-hexadecadienoic acid6Z,9Z-Hexadecadienoic acidME141844----
7,8-Diaminononanoate7,8-Diaminononanoic acidME140754----
7,8-Diaminononanoate + 0.849678347,8-Diaminononanoic acidME140756----
8-Amino Caprylic acid8-Aminooctanoic acidME140840----
8-hydroxy-17-octadecene-10,12-diynoic acid-ME141567----
8R-hydroxy-9Z-octadecenoic acid-ME141503----
9,13-dihydroxy-11-octadecenoic acid9,13-DiHOME(11)ME141595----
9-lauroleic acid9-Dodecenoic acidME141910----
ABSCISIC ACID (cis,trans)Abscisic acidME141224----
ACECLIDINEAceclidineME141762----
AcetoinAcetoinME140904----
Acetoin + 3.5543795AcetoinME140930----
Ala Phe PheAla-Phe-PheME141942----
Ala Trp ArgAla-Trp-ArgME141141----
AllotetrahydrocortisolAllotetrahydrocortisolME141202----
alpha-Phenylcyclohexylglycolic acid-ME141130----
Anandamide (18:3, n-6)gamma-Linolenoyl-EAME141351----
Anandamide (18:3, n-6) + 12.584168gamma-Linolenoyl-EAME141552----
Anandamide (18:3, n-6) + 13.313286gamma-Linolenoyl-EAME141582----
Arachidonyl lysolecithin-ME141223----
Arachidonyl lysolecithin + 10.70548-ME141246----
ArginineArginineME140762----
Arg Phe ArgArg-Phe-ArgME141212----
Arg Phe Arg + 10.675178Arg-Phe-ArgME141238----
Arg Val TrpArg-Val-TrpME141140----
Asymmetric dimethylarginineDimethylarginineME140818----
Avermectin A2a-ME141847----
avobenzone-ME141938----
BeclomethasoneBeclomethasoneME141133----
BenserazideBenserazideME140760----
BENZYLBUTYLPHTHALATEBenzyl butyl phthalateME141395----
BilirubinBilirubinME141060----
Bilirubin + 14.756282BilirubinME141734----
Biliverdin IXBiliverdinME141116----
Bis (2-hydroxypropyl) amine-ME140855----
BuprenorphineBuprenorphineME141174----
CaffeineCaffeineME140952----
Cerebroside C-ME141522----
CEVADINE-ME141008----
CholylglycineGlycocholic acidME141053----
Cinnamic acidtrans-Cinnamic acidME140894----
cis-11-Hexadecenalcis-11-HexadecenalME141632----
cis-3-(6-Hydroxy-7-methoxy-5-benzofuranyl)acrylic ...-ME141990----
CreatinineCreatinineME140806----
Creatinine + 0.9782891CreatinineME140807----
cyclandelateCyclandelateME141103----
cyclandelate + 10.333184CyclandelateME141203----
cyclandelate + 11.35672CyclandelateME141355----
Cyclohexanone, 4-[1-hydroxy-1-phenyl-3-(1-pyrrolid...-ME141109----
cyclohexylammoniumCyclohexylamineME140835----
cyclohexylammonium + 4.089639CyclohexylamineME140951----
Cys Ala GlyCys-Ala-GlyME141940----
Cys CysCys-CysME140771----
Cys Pro IleCys-Pro-IleME141073----
DesethylchloroquineDesethylchloroquineME142016----
D-GlucoseGlucoseME140823----
DidrovaltratumDidrovaltratumME141508----
DIHYDROFISSINOLIDE-ME140940----
DihydrosphingosineSphinganineME141371----
DisulfiramDisulfiramME141824----
DL-OrnithineOrnithineME140890----
D-LysineD-LysineME140724----
dodecanamideDodecanamideME141179----
dodecanamide + 10.644595DodecanamideME141234----
DoxapramDoxapramME141941----
D-ProlineD-ProlineME140811----
(E)-2-Methylglutaconic acid2-Methylglutaconic acidME140786----
EcgonineEcgonineME140846----
EmbelinEmbelinME141138----
Embelin + 11.928356EmbelinME141462----
epsilon-CaprolactamEpsilon-caprolactamME140945----
Estradiolbeta-EstradiolME141431----
ESTRADIOL CYPIONATEEstradiol cypionateME141720----
Estrone sulfateEstrone 3-sulfateME141753----
ethotoin-ME140911----
FexofenadineFexofenadineME141215----
Fexofenadine + 10.656503FexofenadineME141235----
Fexofenadine + 11.475676FexofenadineME141378----
Gemeprost-ME141339----
Gemeprost + 11.412178-ME141372----
Gemeprost + 11.486941-ME141388----
Gemeprost + 11.5606575-ME141413----
Gemeprost + 11.649413-ME141424----
Gemeprost + 11.766222-ME141441----
Gemeprost + 11.914792-ME141455----
Gemeprost + 11.990591-ME141467----
Gemeprost + 12.058225-ME141475----
Gln Pro LysGln-Pro-LysME140977----
GlucosamineGlucosamineME140787----
Glu Tyr ThrGlu-Tyr-ThrME140832----
Gly AlaGly-AlaME140763----
GlycodeoxycholateGlycodeoxycholic acidME141092----
Gly Val HisGly-Val-HisME140992----
GPA(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PA 21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME141647----
GPEtn(16:0/0:0)LPE 16:0/0:0ME141319----
GPEtn(18:0/0:0)LPE 18:0/0:0ME141233----
GPEtn(18:1(9Z)/0:0)LPE 18:1ME141379----
GPEtn(18:1(9Z)/18:1(9Z))[U]PE 18:1(9Z)/18:1(9Z)ME141469----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U]-ME141563----
GPEtnNMe(18:1(9Z)/18:1(9Z))[U] + 14.125486-ME141683----
GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME141337----
GPGro(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) + 11.26811...PG 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME141851----
GPIns(16:0/16:0)PI 16:0/16:0ME141549----
GPIns(16:0/16:0) + 13.551874PI 16:0/16:0ME141606----
GPIns(16:0/16:0) + 14.135602PI 16:0/16:0ME141693----
GPIns(16:0/18:1(9Z))PI 16:0/18:1(9Z)ME141463----
GPIns(16:0/18:1(9Z)) + 12.047834PI 16:0/18:1(9Z)ME141890----
GPIns(16:0/18:1(9Z)) + 14.137217PI 16:0/18:1(9Z)ME141679----
GPIns(16:0/18:1(9Z)) + 14.414539PI 16:0/18:1(9Z)ME141706----
GPSer(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))PS 18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)*ME141326----
His Cys MetHis-Cys-MetME141559----
His Gly GlyHis-Gly-GlyME140765----
His Thr AlaHis-Thr-AlaME140935----
HistidineHistidineME140757----
His Trp GlyHis-Trp-GlyME141029----
His Val ArgHis-Val-ArgME141387----
HomoarginineHomoarginineME141749----
Hydroxyhydroquinone1,2,4-TrihydroxybenzeneME140783----
HypoxanthineHypoxanthineME141755----
Ile ProIle-ProME140856----
Indoleacrylic acidIndoleacrylic acidME140914----
Indoleacrylic acid + 4.0787907Indoleacrylic acidME140943----
isoamyl nitrite-ME140782----
isoamyl nitrite + 1.1783686-ME140826----
IsobutylglycineN-IsobutylglycineME140839----
Isobutylglycine + 4.0776467N-IsobutylglycineME140942----
IsoleucineIsoleucineME140865----
Isoleucine + 2.3072839IsoleucineME140868----
ISOPIMPINELLINIsopimpinellinME140776----
ISOSAFROLEIsosafroleME141058----
ISOSAFROLE + 11.335749IsosafroleME141360----
Ivermectin B1a-ME141352----
Ivermectin B1a + 11.394018-ME141370----
Ivermectin B1b-ME141850----
Lactic acidLactic acidME140779----
L-Alaninol-ME140802----
Lecanoric acidLecanoric acidME141840----
LeucineLeucineME140867----
LeupeptinLeupeptinME141870----
Leu Pro ProLeu-Pro-ProME141172----
Leu Pro Pro + 9.409358Leu-Pro-ProME141789----
LEVULINIC ACID, 3-BENZYLIDENYL--ME141429----
LEVULINIC ACID, 3-BENZYLIDENYL- + 11.726488-ME141438----
L-Glutamic acid dibutyl ester-ME140999----
L-Glutamic acid n-butyl ester-ME140853----
L-Glutamic acid n-butyl ester + 1.5098839-ME140860----
LinoleamideLinoleamideME141920----
Linolenoyl lysolecithinLPC 18:3ME141191----
Linolenoyl lysolecithin + 11.245934LPC 18:3ME141335----
Lithocholic acid glycine conjugateGlycolithocholic acidME141952----
Lithocholic acid glycine conjugate + 13.876054Glycolithocholic acidME141958----
LTB4 ethanol amideLTB4 ethanol amideME141555----
LTB4 ethanol amide + 13.095308LTB4 ethanol amideME141560----
Lys Asn ProLys-Asn-ProME140953----
Lys Asp TrpLys-Asp-TrpME141137----
Lys Gln IleLys-Gln-IleME140965----
Lys Lys LysLys-Lys-LysME141950----
Meradimate-ME141076----
Meradimate + 9.542891-ME141129----
Meradimate + 9.780986-ME141154----
METHOPRENE (S)MethopreneME141992----
methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate-ME141515----
methyl 8-[2-(2-formyl-vinyl)-3-hydroxy-5-oxo-cyclo...-ME141115----
Met Lys HisMet-Lys-HisME141146----
Met Lys His + 9.989336Met-Lys-HisME141185----
Met Thr GlyMet-Thr-GlyME141110----
Mifepristone (RU 486)-ME141167----
myo-InositolMyo-inositolME140770----
(-)N-(1R-methyl-propyl) arachidonoyl amineN-(1R-Methyl-propyl) arachidonoyl amineME141531----
N-(2-hydroxyethyl)palmitamidePalmitoyl-EAME141266----
N-(2-hydroxyethyl)palmitamide + 10.900234Palmitoyl-EAME141278----
N-(2-hydroxyethyl)palmitamide + 11.029883Palmitoyl-EAME141299----
N-(2-hydroxyethyl)palmitamide + 11.126383Palmitoyl-EAME141314----
N-(2-hydroxyethyl)palmitamide + 11.2943125Palmitoyl-EAME141350----
N-(2-hydroxyethyl)palmitamide + 12.8659935Palmitoyl-EAME141553----
N-(2-hydroxyethyl)palmitamide + 14.25288Palmitoyl-EAME141690----
N-AcetylCilastatinN-AcetylCilastatinME141023----
NadololNadololME141018----
Nadolol + 6.797542NadololME141030----
N-arachidonoyl D-serineN-Arachidonoyl D-serineME141119----
N-Desethyloxybutynin-ME141189----
NetilmicinNetilmicinME140973----
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME140959----
N-Hexadecyl-L-hydroxyproline-ME141577----
N-Hexadecyl-L-hydroxyproline + 14.517754-ME141709----
N-HISTIDYL-2-AMINONAPHTHALENE (betaNA)-ME141145----
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide)-ME140872----
N-Methyl-2-pyridone-5-carboxamide (Nudifloramide) ...-ME140873----
N-METHYLISOLEUCINEN-MethylisoleucineME140813----
N,N-(2,2-dihydroxy-ethyl) arachidonoyl amine-ME141933----
N,N-dimethylsphing-4-enineN,N-DimethylsphingosineME141963----
N-oleoylethanolamineOleoyl-EAME141697----
n-PentadecylamineN-PentadecylamineME141792----
octadecanamideStearamideME141699----
Octadecanedioic acidOctadecanedioic acidME141593----
OctocryleneOctocryleneME141939----
OLEANANOIC ACID ACETATE-ME141529----
OleandomycinOleandomycinME141921----
OLEANDOMYCINOleandomycinME141918----
Oleoyl amine-ME141279----
Oleoyl amine + 11.019689-ME141297----
Oleoyl amine + 11.148188-ME141316----
Oleoyl amine + 11.303992-ME141348----
Oleoyl amine + 11.436401-ME141392----
Oleoyl amine + 12.276432-ME141500----
Oleoyl amine + 12.400412-ME141510----
Oleoyl amine + 13.464861-ME141596----
Oxalosuccinic acidOxalosuccinic acidME140849----
OXYQUINOLINEQuinolin-8-olME141759----
OXYQUINOLINE + 5.7667704Quinolin-8-olME141771----
PantetheinePantetheineME140994----
Pantothenic AcidPantothenic acidME140900----
p-Coumaric acidcis-p-Coumaric acidME141100----
PenbutololPenbutololME141775----
pentan-3-one-ME140791----
Pentazocine trans acid-ME141095----
PentoxifyllinePentoxifyllineME140815----
PEUCENIN-ME141057----
PEUCENIN + 7.903765-ME141061----
PGE1 alcoholPGE1 alcoholME141540----
PGF2alpha isopropyl esterPGF2alpha isopropyl esterME141321----
PGF2alpha isopropyl ester + 11.351006PGF2alpha isopropyl esterME141364----
PGF2alpha isopropyl ester + 11.451276PGF2alpha isopropyl esterME141988----
PGF2alpha isopropyl ester + 11.698368PGF2alpha isopropyl esterME141422----
PhenoperidinePhenoperidineME141842----
PhensuximidePhensuximideME141027----
PhenylalaninePhenylalanineME140883----
Phenytoin-N-glucuronide-ME140924----
Phthalic acid Mono-2-ethylhexyl EsterMonoethylhexyl phthalic acidME141426----
Phthalic acid Mono-2-ethylhexyl Ester + 11.67471Monoethylhexyl phthalic acidME141428----
Phthalic acid Mono-2-ethylhexyl Ester + 11.737526Monoethylhexyl phthalic acidME141439----
Phthalic acid Mono-2-ethylhexyl Ester + 11.739214Monoethylhexyl phthalic acidME141435----
p-HYDROXYCINNAMALDEHYDE(E)-3-(4-Hydroxyphenyl)-2-propenalME141015----
PinacidilPindacME140958----
Pinacidil + 4.3858333PindacME140963----
Pinacidil + 4.4855013PindacME141998----
Pinacidil-N-Oxide-ME140878----
Pindolol-ME141780----
PIPERINEPiperineME141112----
PIPERINE + 9.30038PiperineME141121----
PIPERINE + 9.393668PiperineME141125----
PRACTOLOL-ME141272----
PRACTOLOL + 10.951184-ME141287----
ProcyclidineProcyclidineME141040----
Pro HisPro-HisME140927----
Pro His HisPro-His-HisME140827----
ProlineProlineME140755----
Pro Pro PhePro-Pro-PheME141359----
PurinePurineME140723----
Purine + 0.8628673PurineME140759----
Pyrroline hydroxycarboxylic acidPyrroline hydroxycarboxylic acidME140761----
RETUSOQUINONE-ME141105----
RETUSOQUINONE + 11.358456-ME141353----
Ritodrine glucuronide 2-ME141012----
SAPINDOSIDE A-ME141855----
Ser Asp AspSer-Asp-AspME141833----
Ser Ser ArgSer-Ser-ArgME140954----
Ser Ser Arg + 10.906904Ser-Ser-ArgME141835----
Stearic acidStearic acidME141716----
SulfamethazineSulfamethazineME141079----
SulfaquinoxalineSulfaquinoxalineME141080----
TacrolimusTacrolimusME141380----
TEGASERODTegaserodME140923----
TetradecylamineTetradecylamineME141128----
TheophyllineTheophyllineME140899----
Theophylline + 3.6554136TheophyllineME140925----
Thioridazine-ME141819----
ThreonateThreonic acidME140859----
Thr GluThr-GluME140809----
TIAPRIDETiaprideME140974----
TIAPRIDE + 5.395146TiaprideME141003----
Tranexamic acidTranexamic acidME140850----
trans-3-Hydroxycotinine glucuronidetrans-3-Hydroxycotinine glucuronideME141493----
trans-3-Hydroxycotinine glucuronide + 12.100258trans-3-Hydroxycotinine glucuronideME141895----
TriparanolTriparanolME140816----
Trp PheTrp-PheME141984----
TryptophanTryptophanME140916----
Tyr Thr CysTyr-Thr-CysME140789----
Ubiquinone-ME141108----
Ubiquinone + 8.070654-ME141777----
UreaUreaME140797----
Uric acidUric acidME140845----
UridineUridineME140837----
Val AlaVal-AlaME140838----
VALERYL SALYCILATE-ME141055----
ValineValineME140796----
Valine + 1.1855006ValineME140824----
Val Pro ThrVal-Pro-ThrME141077----
Val Val TrpVal-Val-TrpME141507----
VigabatrinVigabatrinME140725----
Vigabatrin + 1.0069108VigabatrinME140814----
(Z)-N-(2-hydroxyethyl)hexadec-7-enamide-ME141608----
ZopicloneZopicloneME141430----


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
10-methyl-hexadecanoic acid10-Methyl-hexadecanoic acidME142315--14.705269-
1-(13Z-docosenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapen...DG 22:1_22:5ME142310--14.7029505-
1,2-di-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycerolDG 20:3_20:3ME142254--13.650778-
13E,17-octadecadienoic acid13E,17-Octadecadienoic acidME142236--13.513562-
13E,17-octadecadienoic acid - 13.61392113E,17-Octadecadienoic acidME142249--13.613921-
17a-Ethynylestradiol 2-glucuronide-ME142131--7.009637-
19-hydroxy-17-oxoandrost-5-en-3-beta-yl sulfate-ME142330--5.905695-
1alpha,18-dihydroxyvitamin D_3 / 1alpha,18-dihydro...-ME142220--12.621854-
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...-ME142288--14.155463-
1alpha,25-dihydroxy-11alpha-phenylvitamin D3 / 1al...-ME142317--14.712189-
1alpha,25-dihydroxy-24-oxovitamin D_3 / 1alpha,25-...-ME142356--10.758289-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...-ME142259--13.654648-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...-ME142381--13.704973-
1alpha,25-dihydroxy-26,27-dimethyl-22-oxavitamin D...-ME142262--13.802342-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...-ME142221--12.667334-
1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitami...-ME142379--13.600336-
20alpha-Dihydroprogesterone glucuronide-ME142064--1.1874703-
(22S)-1alpha,22,25-trihydroxy-23,24-tetradehydro-2...-ME142378--13.655957-
2,3-Dihydroxybenzoic acid2-Pyrocatechuic acidME142109-C001964.3990135-
2-amino-4'-hydroxy-Propiophenone-ME142081--3.1699252-
2-Hydroxy-3-(4-methoxyethylphenoxy)-propanoic acid-ME142135--7.7239304-
2-Hydroxyadipic acid2-Hydroxyadipic acidME142051-C023600.8979196-
2-Hydroxyethinylestradiol2-HydroxyethinylestradiolME142162--10.058822-
2-Hydroxyethinylestradiol - 10.1767952-HydroxyethinylestradiolME142164--10.176795-
2-Hydroxyethinylestradiol - 10.3310662-HydroxyethinylestradiolME142167--10.331066-
2-Hydroxyethinylestradiol - 13.7662472-HydroxyethinylestradiolME142243--13.766247-
2-ISOPRENYL-3-HYDROXY-5-METHYL-a-PYRONE-ME142139--8.324255-
2-propyl-tridecanoic acid2-Propyl-tridecanoic acidME142279--14.075377-
2-propyl-tridecanoic acid - 14.6835012-Propyl-tridecanoic acidME142312--14.683501-
3,9,15-Docosatriynoic acid3,9,15-Docosatriynoic acidME142228--13.10277-
3a,7b,12a-Trihydroxyoxocholanyl-Glycine-ME142340--7.612149-
3-Amino-3-(4-hydroxyphenyl)propanoatebeta-TyrosineME142073-C043681.6767582-
3-Methyl-2-oxovaleric acid3-Methyl-2-oxovaleric acidME142096-C006713.6866663-
3-Methyl-2-oxovaleric acid - 3.88868383-Methyl-2-oxovaleric acidME142103-C006713.8886838-
3-Methylsuberic acid3-Methylsuberic acidME142126--5.7509704-
4,7,10,13,16-docosapentaenoic acid4,7,10,13,16-Docosapentaenoic acidME142258--13.615754-
4,7,10,13-docosatetraenoic acid4,7,10,13-Docosatetraenoic acidME142267--14.011637-
4,8-dimethyl-dodecanoic acid4,8-Dimethyl-dodecanoic acidME142229--13.12732-
4'-Apo-3,4-didehydrolycopene/ (4-Apo-3',4'-didehyd...-ME142370--12.782845-
4-Hydroxybenzenesulfonic acid4-Hydroxybenzenesulfonic acidME142101--3.8414772-
4Z,7Z,10Z,13Z-eicosatetraenoic acid4Z,7Z,10Z,13Z-Eicosatetraenoic acidME142232--13.328448-
5-(4-hydroxy-2,5-dimethylphenoxy)-2,2-dimethyl-Pen...-ME142156--9.636348-
5beta-Androstan-3alpha-ol-17-one sulfate5beta-Androstan-3alpha-ol-17-one sulfateME142127--6.371507-
5beta-Androstan-3alpha-ol-17-one sulfate - 7.17387...5beta-Androstan-3alpha-ol-17-one sulfateME142132--7.173876-
5beta-Androstan-3alpha-ol-17-one sulfate - 7.36693...5beta-Androstan-3alpha-ol-17-one sulfateME142134--7.3669353-
5-Methoxyindoleacetate5-Methoxyindoleacetic acidME142402-C056605.335415-
5-octadecylenic acid6-Octadecylenic acidME142296--14.258506-
5-octadecylenic acid - 14.3023976-Octadecylenic acidME142300--14.302397-
5Z,11Z,14Z-eicosatrienoic acidSciadonic acidME142261--13.766287-
6b,11b,16a,17a,21-Pentahydroxypregna-1,4-diene-3,2...-ME142346--10.10528-
7-palmitoleic acid7-Palmitoleic acidME142231--13.2896-
8R-hydroxy-9Z-octadecenoic acid-ME142368--12.159918-
9,12,14-octadecatrienoic acid9,12,14-Octadecatrienoic acidME142222--12.842068-
9,12,14-octadecatrienoic acid - 12.9302769,12,14-Octadecatrienoic acidME142226--12.930276-
9R-hydroxy-12E-octadecenoic acid9R-HOME(12E)ME142223--12.564822-
a-hydroxybutyrate2-Hydroxybutyric acidME142075--2.2812512-
a-hydroxybutyrate - 2.6925482-Hydroxybutyric acidME142078--2.692548-
alpha-Hydroxytriazolamalpha-HydroxytriazolamME142069--1.2602226-
Arg Ala PheArg-Ala-PheME142283--14.183214-
Arg Asn GlnArg-Asn-GlnME142240--13.515578-
Arg Phe ArgArg-Phe-ArgME142169--10.474156-
Arg Phe Arg - 10.677579Arg-Phe-ArgME142177--10.677579-
Arg Ser PheArg-Ser-PheME142334--6.688555-
Benzyl alcoholBenzyl alcoholME142112--4.7950974-
BilirubinBilirubinME142319-C0048614.773233-
B-ureidoisobutyric acid-ME142403--0.8756419-
CastasteroneCastasteroneME142380--13.696995-
clavulone IClavulone IME142353--10.659008-
clavulone I - 10.765902Clavulone IME142357--10.765902-
cyclandelateCyclandelateME142165--10.328802-
D1-2-Hydroxymethylethisterone-ME142192--11.148835-
D1-2-Hydroxymethylethisterone - 11.279384-ME142198--11.279384-
D1-2-Hydroxymethylethisterone - 11.426857-ME142201--11.426857-
D1-2-Hydroxymethylethisterone - 11.506317-ME142206--11.506317-
DesmosineDesmosineME142173--10.584751-
D-GlucoseGlucoseME142095-C000313.6702254-
Dihydroxyacetone (glycerone)DihydroxyacetoneME142071-C001841.2743208-
DL-12-hydroxy stearic acid12-Hydroxy stearic acidME142367--12.189199-
Ellagic acidEllagic acidME142018-C107880.7126449-
Ellagic acid - 3.0870278Ellagic acidME142328-C107883.0870278-
EmbelinEmbelinME142143--8.9943075-
Embelin - 13.489656EmbelinME142235--13.489656-
Embelin - 13.636872EmbelinME142252--13.636872-
Embelin - 14.135789EmbelinME142278--14.135789-
Embelin - 14.246171EmbelinME142294--14.246171-
Embelin - 14.705376EmbelinME142311--14.705376-
Embelin - 9.617185EmbelinME142154--9.617185-
FexofenadineFexofenadineME142176-C0699910.659602-
gamma-Hydroxyphenylbutazone glucuronide-ME142152--9.575926-
Gemfibrozil M2GemfibrozilME142199--11.33377-
Gln Trp GlnGln-Trp-GlnME142157--9.6747-
Glucoheptonic acidGlucoheptonic acidME142091--3.6418886-
Glu Tyr ThrGlu-Tyr-ThrME142351--10.655648-
Glycoursodeoxycholic acidGlycoursodeoxycholic acidME142140--8.627424-
Glycoursodeoxycholic acid - 8.836754Glycoursodeoxycholic acidME142341--8.836754-
Hexacosanedioic acidHexacosanedioic acidME142304--14.549026-
Hippuric acidHippuric acidME142108-C015864.3385744-
HistidineHistidineME142043-C001350.8347747-
IndoleIndoleME142089-C004633.6428-
Indoxylsulfuric acidIndoxyl sulfateME142106--4.1105456-
IsoacitretinIsoacitretinME142178--10.573217-
Isoacitretin - 10.747422IsoacitretinME142184--10.747422-
Isoacitretin - 10.9078665IsoacitretinME142187--10.9078665-
Isoacitretin - 14.180219IsoacitretinME142273--14.180219-
isoamyl nitrite-ME142063--1.179514-
Isoarachidic acidIsoarachidic acidME142391--14.715561-
ISOEUGENITOLIsoeugenitolME142322--0.8965298-
IsoleucineIsoleucineME142074-C004072.0716634-
Isoquinoline N-oxide-ME142125--5.7576704-
KOBUSONEKobusoneME142146--8.99445-
Lactic acidLactic acidME142050-C001860.89742315-
Lauric acidLauric acidME142211-C0267911.902032-
LeucineLeucineME142077-C001232.303852-
Loroxanthin ester/ Loroxanthin dodecenoateLoroxanthin dodecenoateME142286--14.050976-
Loroxanthin ester/ Loroxanthin dodecenoate - 14.56...Loroxanthin dodecenoateME142313--14.5606-
L-SerineSerineME142044-C000650.8373182-
Lys Trp ArgLys-Trp-ArgME142369--12.740759-
Met His LysMet-His-LysME142331--6.4232845-
methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-ei...Methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoateME142142--8.990774-
MethylglyoxalPyruvaldehydeME142049-C005460.8967081-
Monensin-ME142388--14.194487-
Murocholic acidMurideoxycholic acidME142225--12.819016-
Murocholic acid - 10.139921Murideoxycholic acidME142347--10.139921-
Murocholic acid - 12.997159Murideoxycholic acidME142227--12.997159-
N-gamma-Acetyl-N-2-formyl-5-methoxykynurenamine-ME142107--4.323464-
O-BENZYL-l-SERINE-ME142155--9.631643-
O-DesmethylnaproxenO-DesmethylnaproxenME142076--2.2713454-
O-Desmethylnaproxen - 2.6897879O-DesmethylnaproxenME142079--2.6897879-
PanaxytriolPanaxytriolME142214--12.057284-
PhenolPhenolME142100-C001463.8402092-
Phosphoglycolic acidPhosphoglycolic acidME142083-C009883.1699057-
Phosphoglycolic acid - 3.6416552Phosphoglycolic acidME142092-C009883.6416552-
Pregnanolone sulfate-ME142339--7.2025857-
PRISTIMEROLPristimerolME142272--14.15772-
ProlineProlineME142061-C001480.9706227-
PROTOVERATRINE AProtoveratrine AME142047--0.84864813-
PurinePurineME142019-C004650.76929986-
Purine - 1.1767727PurineME142065-C004651.1767727-
Pyrocatechol sulfateCatechol sulfateME142085--3.551135-
Ser His HisSer-His-HisME142148--8.995068-
Sodium tetradecyl sulfate-ME142185--10.853775-
Stearic acidStearic acidME142307-C0153014.518841-
TeasteroneTeasteroneME142257--13.667785-
Teasterone - 13.719101TeasteroneME142260--13.719101-
Teasterone - 14.130692TeasteroneME142271--14.130692-
Testosterone sulfateTestosterone sulfateME142129-C005357.008918-
TetrahydrofuranTetrahydrofuranME142099--3.7447748-
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)*ME142287--14.147302-
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)*ME142305--14.429592-
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)*ME142314--14.669076-
thyrotropin releasing hormoneThyrotropin releasing hormoneME142144--8.994382-
TRIDESACETOXYKHIVORIN-ME142364--11.214489-
TryptophanTryptophanME142090-C000783.6429675-
Tyr Arg LeuTyr-Arg-LeuME142344--10.03203-
Uric acidUric acidME142068-C003661.229638-
UridineUridineME142066-C002991.2050902-
Val Arg PheVal-Arg-PheME142196--11.378499-


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