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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-HydroxycarbazepineLicarbazepineME464863--9.874-
11-Aminoundecanoic acid11-Aminoundecanoic acidME464864--1.718-
11-Nitro-1-undecene-ME464865--9.853-
1-(1Z-hexadecenyl)-sn-glycero-3-phosphocholineLPC P-16:0 or LPC O-16:1ME464856--12.057-
12-Aminododecanoic acid12-Aminododecanoic acidME464866--10.169-
12-Hydroxydihydrochelirubine-ME464867--5.961-
1,3,5-Heptatriene-ME464858--4.243-
1,3-Dicyclohexylurea1,3-DicyclohexylureaME464859--10.317-
15-Crown-5-ME464868--5.594-
1,5-DAN-ME464860--4.385-
1,7-Dimethyluric acid1,7-Dimethyluric acidME464861--4.851-
1-[(9Z)-hexadecenoyl]-sn-glycero-3-phosphocholine-ME464862--11.377-
1-Aminocyclopropane-1-carboxylate1-Aminocyclopropanecarboxylic acidME464869--0.979-
1-arachidonoyl-sn-glycero-3-phosphocholineLPC 20:4/0:0ME464870--11.38-
1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide-ME464857--2.933-
1-heptadecanoyl-sn-glycero-3-phosphocholineLPC 17:0/0:0ME464871--12.15-
1-Hexadecanoylpyrrolidine-ME464872--11.49-
1-LinoleoylglycerophosphocholineLPC 18:2ME464873--11.493-
1-Methyladenosine1-MethyladenosineME464874--1.943-
1-Methylhistidine1-MethylhistidineME464875--0.946-
1-Methylpyrrolinium1-MethylpyrroliniumME464876--1.078-
1-Methyluric acid1-Methyluric acidME464877--3.309-
1-Methylxanthine1-MethylxanthineME464878--3.474-
1-OleoylglycerophosphocholineLPC 18:1/0:0ME464879--11.892-
1-Palmitoyl-2-hydroxy-sn-glycero-3-PELPE 16:0/0:0ME464880--11.029-
1-palmitoylglycerol;MAG(16:0)MG 16:0/0:0/0:0ME464881--11.078-
1-PalmitoylglycerophosphocholineLPC 16:0/0:0ME464882--11.831-
1-Pyrroline1-PyrrolineME464883--1.02-
1-Pyrroline-2-carboxylate1-Pyrroline-2-carboxylic acidME464884--5.478-
(1-Ribosylimidazole)-4-acetateImidazoleacetic acid ribosideME464839--1.183-
(1S,2R)-3-(4-Chlorophenyl)-3,5-cyclohexadiene-1,2-...-ME464840--4.22-
1-Stearoylglycerol-ME464885--11.539-
1-stearoyl-sn-glycero-3-phosphoethanolamine-ME464886--11.538-
1-Tetradecylamine-ME464887--10.212-
(1Z,5Z)-1,5-Cyclooctadiene-ME464841--9.18-
2,2-Dichloro-1,1-ethanediol-ME464890--14.446-
2,2'-Iminodipropan-1-ol-ME464891--1.095-
2_2'-Iminodipropanoate-ME464894--1.495-
2_3_4_5-Tetrahydropyridine-2-carboxylate-ME464895--5.484-
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic ac...-ME464892--5.14-
2,3-DIMETHYL-5-NITROINDOLE-ME464893--3.996-
2_3-DimethylmaleateDimethyl maleateME464896--0.946-
2_4-Dinitrophenylhydrazine-ME464897--3.311-
2-(4-Hydroxyphenyl)ethanol(Tyrosol)TyrosolME464888--6.257-
(24R_24'R)-Fucosterolepoxide-ME464842--12.92-
2_6-Dihydroxypseudooxynicotine-ME464898--3.494-
2-Acetolactate2-AcetolactateME464899--1.014-
2-Aminoacetophenone;O-Acetylaniline-ME464900--5.563-
2-Arachidonoyl glycerolMG 20:4ME464901--11.141-
2-Butoxy-2-oxoethyl butyl phthalate-ME464902--10.347-
2-Chloro-4,4'-biphenyldiol-ME464903--4.907-
2-cyanobenzaldehyde-ME464904--4.768-
(2E)-hexadecenoylcarnitineCAR 16:1(2E)ME464843--10.377-
2-Ethyl-4,5-dimethylthiazole-ME464905--5.752-
2-Furoylglycine;Pyromucuricacid-ME464906--3.594-
2-Hydroxyhippuric acidSalicyluric acidME464907--4.149-
2-hydroxyphenylacetic acid2-Hydroxyphenylacetic acidME464908--2.931-
2-Hydroxypyridine2-HydroxypyridineME464909--2.048-
2-Hydroxyquinoline2-HydroxyquinolineME464910--6.236-
2-IsopropylmaleateIsopropylmaleateME464911--6.953-
2-linoleoyl-sn-glycero-3-phosphoethanolamine-ME464912--10.882-
2-MercaptoethanolMercaptoethanolME464913--1.308-
2-Methylcholine2-MethylcholineME464914--1.226-
2-Methylnicotinamide-ME464915--0.987-
2-Methylpropanamine-ME464916--1.085-
2-Methylthiazolidine2-MethylthiazolidineME464917--1.336-
2-Naphthylamine2-AminonaphthaleneME464918--4.386-
2-OxindoleIndolin-2-oneME464919--6.643-
2-Oxovaleric acidOxovaleric acidME464920--1.08-
2-PCB-ME464921--0.955-
2-Phenyl-4-pentenal-ME464922--8.587-
(2S)-2-Amino-8-hydroxyoctanoic acid-ME464844--1.129-
2S-Amino-tridecanoic acid2S-Aminotridecanoic acidME464923--9.735-
2-(tert-butylamino)-1-(3-chlorophenyl)propan-1-ol-ME464889--7.756-
2-trans-Hexadecenal-ME464924--11.075-
(2Z)-4-(Octadecyloxy)-4-oxo-2-butenoic acid-ME464845--11.537-
3-(3,4,5-trimethoxyphenyl)propanoic acid-ME464925--10.299-
3_4-Dihydroxymandelate-ME464932--0.946-
3_4-Dihydroxyphenylethyleneglycol-ME464933--2.963-
3,4-DIHYDROXYPHENYLGLYCOL3,4-DihydroxyphenylglycolME464928--4.454-
3-(4-Hydroxy-1,3-benzothiazol-6-yl)alanine-ME464926--8.653-
3,5-ditert-butyl-4-hydroxybenzaldehyde-ME464929--10.533-
3,5-ditert-butyl-4-hydroxybenzonitrile-ME464930--6.136-
3, 5-TetradecadiencarnitineCAR 14:2(3,5)ME464927--10.259-
3,6-Diacetyl-9-isoamylcarbazole-ME464931--9.29-
3-Amino-2-methylpropanoate-ME464934--0.978-
3-Butyn-1-al3-Butyn-1-alME464935--1.08-
3-Chloro-4-nitro-1,2-oxazole-ME464936--0.767-
3-CYSTEINYLACETAMINOPHEN-ME464937--3.691-
3-Dehydrocarnitine3-DehydrocarnitineME464938--3.632-
3-Dehydroxycarnitine3-DehydroxycarnitineME464939--3.706-
3-Hydroxy-2-methyl-4-pyroneMaltolME464940--1.021-
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylam...-ME464941--2.618-
3-Hydroxyanthranilic acid3-Hydroxyanthranilic acidME464942--3.818-
3-Hydroxy-cis-5-tetradecenoylcarnitineCAR 14:1;OHME464943--10.246-
3-Hydroxycotinine-ME464944--1.327-
3-hydroxydodecanoylcarnitineCAR 12:0;OHME464945--9.786-
3-Hydroxy-N-(2-oxotetrahydro-3-furanyl)dodecanamid...-ME464946--8.804-
3'-HYDROXYPENTOBARBITAL, (1'R,3'S)-(+/-)--ME464947--5.633-
3-METHOXYTYROSINE3-MethoxytyrosineME464948--2.93-
3-Methylcrotonylglycine3-MethylcrotonylglycineME464949--2.272-
3-Methylsulfolene-ME464950--1.336-
3-NITRO-L-TYROSINENitrotyrosineME464951--2.744-
3-Oxalomalate3-Oxalomalic acidME464952--0.941-
3-Oxo-N-(2-oxotetrahydro-3-furanyl)decanamide-ME464953--3.152-
3-Oxotetradecanoic acid3-Oxotetradecanoic acidME464954--10.277-
3-UreidoisobutyrateUreidoisobutyric acidME464955--5.558-
4,4'-dimethoxy[1,1'-biphenyl]-2-carbonitrile-ME464956--3.574-
4,4'-Thiobis(butan-2-one)-ME464957--5.034-
4,6-Dimethyl-2(1H)-pyrimidinone-ME464958--3.476-
4-Acetamidoantipyrine-ME464959--5.558-
4-Acetamidobutanoic acid4-Acetamidobutanoic acidME464960--2.564-
4-Amino-3-hydroxybenzoic acid-ME464961--2.799-
4-Aminohippuricacid4-Aminohippuric acidME464962--3.666-
4-Aminophenol4-AminophenolME464963--4.004-
4-Aminopyridine4-AminopyridineME464964--1.127-
4-Coumarylalcohol4-Coumaryl alcoholME464965--7.869-
4-Coumarylalcohol(4-Hydroxycoumarin)-ME464966--10.625-
(4E)-1,7-Bis(4-hydroxyphenyl)-4-hepten-3-one-ME464846--5.448-
(4E)-2-Oxohexenoic acid2-Oxo-4E-hexenoic acidME464847--4.684-
4-Ethynylaniline-ME464967--4.386-
4-Formylaminoantipyrine-ME464968--5.425-
4-Guanidinobutanoate4-Guanidinobutanoic acidME464969--1.164-
4-HQN-ME464970--5.974-
4-Hydroxy-2-butynal4-Hydroxybut-2-ynalME464971--0.998-
4-Hydroxybenzaldehyde4-HydroxybenzaldehydeME464972--5.601-
4-Hydroxycinnamoylmethane-ME464973--7.107-
4-Hydroxymandelicacid4-Hydroxymandelic acidME464974--4.267-
4-Hydroxyphenylacetaldehyde4-HydroxyphenylacetaldehydeME464975--3.953-
4-Hydroxyprolylleucine-ME464976--2.974-
4-Imidazolone-5-propanoate4-Imidazolone-5-propionic acidME464977--1.045-
4-Imino-1-(beta-D-ribofuranosyl)-1,4-dihydro-3-pyr...-ME464978--2.708-
4-IndolecarbaldehydeIndole-4-carboxaldehydeME464979--7.678-
4-Methyl-2-phenyl-1,3-thiazole-ME464980--2.258-
4-Methylaminoantipyrine-ME464981--3.91-
4-METHYLCATECHOL4-MethylcatecholME464982--7.107-
4-Methylene-2-oxoglutarate2-Methylene-4-oxopentanedioic acidME464983--2.02-
4-Methylene-L-glutamine4-Methylene-glutamineME464984--0.973-
4-Pyridoxic acid4-Pyridoxic acidME464985--2.918-
4-Quinolinecarboxylic acid4-Quinolinecarboxylic acidME464986--5.381-
(4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)bu...CAR 8:1(2)ME464848--7.815-
4-Sulfanyldihydro-3(2H)-furanone-ME464987--2.187-
5_10-Methenyltetrahydrofolate-ME464989--6.827-
5-Acetylamino-6-amino-3-methyluracil5-Acetylamino-6-amino-3-methyluracilME464990--2.552-
(5alpha,6beta)-3-Hydroxy-17-methyl-4,5-epoxymorphi...-ME464849--2.98-
5-Amino-4-imidazolecarboxylate-ME464991--3.651-
5-Aminolevulinate5-Amino-levulinic acidME464992--0.96-
5-Aminopentanal5-AminopentanalME464993--1.279-
5-Fluoro-3,5-AB-PFUPPYCA-ME464994--6.483-
5-Hydroxyindole-3-acetic acid5-Hydroxyindoleacetic acidME464995--2.867-
5-Hydroxyisourate5-Hydroxyisouric acidME464996--1.768-
5-Hydroxy-L-tryptophan5-Hydroxy-tryptophanME464997--2.423-
5-Methylthio-D-ribose5-MethylthioriboseME464998--1.254-
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic aci...-ME464988--2.208-
5-Valerolactone5-ValerolactoneME464999--1.054-
6-Hydroxypseudooxynicotine6-HydroxypseudooxynicotineME465000--2.387-
6-Methylindole-ME465001--4.386-
7,8-dihydro-8-oxoguanine-ME465002--5.464-
7_8-Dihydroneopterin-ME465003--2.456-
7-methyl-3-nitroimidazo[1,2-a]pyridine-ME465004--0.924-
7-Methylxanthosine7-MethylxanthosineME465005--5.142-
7-Oxobenz[de]anthracene-ME465006--3.903-
8-Amino-7-oxononanoate8-Amino-7-oxononanoic acidME465007--1.232-
8-hydroxy-7-methylguanine8-Hydroxy-7-methylguanineME465008--3.267-
8'-Hydroxyabscisate-ME465009--10.545-
8-Hydroxyhexadecanedioic acid-ME465010--11.19-
8-HydroxyquinolineQuinolin-8-olME465011--2.864-
8-Oxocoformycin-ME465012--3.644-
9,12-HexadecadienoylcarnitineCAR 16:2ME465013--10.333-
9-DecenoylcarnitineCAR 10:1(9)ME465014--9.952-
AceclidineAceclidineME465015--3.662-
AcetoacetateAcetoacetic acidME465016--1.132-
Acetochlor ESA-ME465017--5.654-
Acetonecyanohydrin2-Hydroxy-2-methylpropanenitrileME465018--2.563-
AcetylcholineAcetylcholineME465019--1.094-
Acetyl-L-carnitineCAR 2:0ME465020--1.369-
Acetyl-β-methylcholine-ME465021--1.444-
AcycloguanosineAciclovirME465022--2.713-
Adaprolol-ME465023--10.489-
Adenosine 5'-monophosphateAMPME465024--1.777-
alanyl-poly(glycerolphosphate)-ME465025--8.452-
Ala-ProAla-ProME465026--3.392-
Ala-TyrAla-TyrME465027--4.271-
allyl bromide-ME465028--0.939-
allylcysteineS-AllylcysteineME465029--2.459-
alpha-Ribazolealpha-RibazoleME465030--3.944-
AlprenololAlprenololME465031--4.98-
Amides, C12-18, N-(hydroxyethyl)-ME465032--10.242-
Anhydroecgonine-ME465033--1.563-
AnilineAnilineME465034--2.867-
AnisoleAnisoleME465035--5.382-
AnkorineAnkorineME465036--9.748-
Anthranilate2-Aminobenzoic acidME465037--4.51-
apronalide-ME465038--4.301-
ARECOLINEArecolineME465039--6.253-
arg-leuArg-LeuME465040--4.761-
AripiprazoleAripiprazoleME465041--9.903-
asp-leuAsp-LeuME465042--3.954-
Atagabalin-ME465043--2.46-
Atenolol acid-ME465044--5.076-
Baclofen-ME465045--4.692-
BenzaldehydeBenzaldehydeME465046--3.061-
BenzeneBenzeneME465047--3.06-
Benzyl2-methyl-3-oxobutanoateBenzyl 2-methyl-3-oxobutanoateME465050--9.802-
Benzyl butyl phthalateBenzyl butyl phthalateME465048--10.616-
Benzyl methacrylate-ME465049--3.685-
Beta-Alaninebeta-AlanineME465051--0.999-
beta-Leucinebeta-LeucineME465052--1.087-
BIM-1-ME465053--10.448-
BiochaninABiochanin AME465054--2.216-
BiotinBiotinME465055--4.771-
Bis(2-ethylhexyl) amine-ME465056--10.31-
Brassylic acidTridecanedioic acidME465057--10.459-
Buflomedil-ME465058--8.724-
Buphedrine-ME465059--3.206-
ButabarbitalButabarbitalME465060--1.768-
Butoxytriglycol-ME465061--7.729-
Butyryl-L-carnitineCAR 4:0ME465062--3.225-
Cafestol-ME465063--10.665-
CaffeineCaffeineME465064--6.073-
CaprolactamEpsilon-caprolactamME465065--4.734-
CapryloylglycineCapryloylglycineME465066--3.284-
CarbamazepineCarbamazepineME465067--10.007-
Carbamazepine 10,11-epoxide-ME465068--8.95-
(Carbamoylamino)(4-hydroxyphenyl)acetic acid-ME464850--3.636-
CarbarylCarbarylME465069--4.343-
Carnidazole-ME465070--2.598-
CarvedilolCarvedilolME465071--9.58-
CephalosporinC-ME465072--2.892-
CeruleninCeruleninME465073--2.88-
CetirizineCetirizineME465074--10.125-
chavicol-ME465075--10.421-
Cholic acidCholic acidME465076--10.58-
CholineCholineME465077--0.966-
CinnamaldehydeCinnamaldehydeME465078--10.583-
cis-5-TetradecenoylcarnitineCAR 14:1ME465079--10.314-
cis-dihomoaconitic acid-ME465080--0.954-
cis-Tramadol-ME465081--6.432-
ClindamycinClindamycinME465082--8.609-
clomazone-ME465083--3.607-
Clopidol-ME465084--5.256-
ConiferylalcoholConiferyl alcoholME465085--10.298-
ConiferylaldehydeConiferyl aldehydeME465086--4.19-
CoumarinCoumarinME465087--2.146-
Coumarone-ME465088--2.144-
Crotonic acidCrotonic acidME465089--1.984-
CuminaldehydeCuminaldehydeME465090--10.427-
cyclandelateCyclandelateME465091--10.514-
Cycloheptene-ME465092--7.557-
Cyclohexanethiol-ME465093--1.019-
CyclohexylamineCyclohexylamineME465094--2.399-
CytidineCytidineME465095--3.369-
CytosineCytosineME465096--3.94-
D-2-Amino-hexano-6-lactamUndecylprodigiosinME465097--1.124-
dADPdADPME465098--5.426-
D-Ala-D-AlaD-Alanyl-D-AlanineME465099--1.311-
Dambonitol-ME465100--3.899-
D-ApiitolApiitolME465101--1.053-
D-CarnitineD-CarnitineME465102--0.978-
Deacetylcefotaxime-ME465103--4.816-
DecanoylcarnitineCAR 10:0ME465104--10.134-
Deoxyguanidinoproclavaminic acidDeoxyamidinoproclavaminic acidME465105--1.038-
DethiobiotinDethiobiotinME465106--2.063-
DextromethorphanDextromethorphanME465107--8.705-
DiaveridineDiaveridineME465108--4.692-
Dibenzoylmethane-ME465109--10.428-
Dibenzylamine-ME465110--6.446-
DICHLORODIFLUOROMETHANE-ME465111--2.012-
DichloromethaneDichloromethaneME465112--0.767-
DicyclohexylamineN,N-DicyclohexylamineME465113--6.675-
Didecyldimethylammonium-ME465114--10.338-
Diethyl dibutylmalonate-ME465115--10.53-
dihomomethionineDihomomethionineME465116--1.595-
Dihydroclavaminic acidDihydroclavaminic acidME465117--2.065-
DihydrothymineDihydrothymineME465118--2.356-
DIHYDROURACILDihydrouracilME465119--1.357-
Dihydrouridine5,6-DihydrouridineME465120--1.06-
Dihydroxycarbamazepine-ME465121--8.437-
DiisobutylphthalateDiisobutyl phthalateME465122--10.618-
Diisopropylphosphate-ME465123--5.96-
Dinitrosopentamethylenetetramine-ME465124--4.198-
Dioxohongdenafil-ME465125--7.424-
DiphenhydramineDiphenhydramineME465126--8.682-
DL-Atenolol-ME465127--3.824-
DL-StachydrineStachydrineME465128--1.155-
DL-α-Aminocaprylic acid-ME465129--5.896-
DopamineDopamineME465130--4.519-
Dopamine3-O-sulfateDopamine 3-O-sulfateME465131--2.423-
DoxylamineDoxylamineME465132--4.951-
Dubinidine-ME465133--6.542-
(E)-3,4,5-Trimethoxycinnamic acid-ME464851--8.605-
EcgonineEcgonineME465134--2.308-
Ecgonine methyl ester-ME465135--1.833-
EctoineEctoineME465136--1.085-
Elaeokanine CElaeokanine CME465137--10.128-
Eperisone-ME465138--9.745-
Erucamide13Z-DocosenamideME465139--12.206-
EscitalopramEscitalopramME465140--8.744-
ETHANOLAMINE PHOSPHATEPhosphoethanolamineME465141--1.311-
Ethyl3-oxohexanoateEthyl 3-oxohexanoateME465144--5.09-
Ethyl ?-bromopropionate-ME465142--0.931-
Ethyl palmitoleate-ME465143--10.738-
EtodolacEtodolacME465145--3.645-
fenamidone-ME465146--7.455-
Ferulatetrans-Ferulic acidME465147--2.931-
FluconazoleFluconazoleME465148--7.339-
FluoreneFluoreneME465149--10.369-
Flurandrenolide-ME465150--6.928-
FomepizoleFomepizoleME465151--0.988-
Furfural2-FurancarboxaldehydeME465152--1.003-
GabapentinGabapentinME465153--4.254-
gamma-Glu-glngamma-GlutamylglutamineME465154--1.07-
gamma-Glutamyl-gamma-aminobutyraldehydegamma-Glutamyl-gamma-aminobutyraldehydeME465155--1.152-
gamma-Glutamyl-gamma-aminobutyraye-ME465156--2.291-
GLUCONOLACTONEGluconolactoneME465157--1.017-
Glu-GlyGlu-GlyME465158--2.344-
glutaraldehydeGlutaralME465159--2.878-
GLUTARYLCARNITINECAR DC5:0ME465160--2.903-
glutathione disulfideOxidized glutathioneME465161--2.44-
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME465162--10.604-
Glycocholic acidGlycocholic acidME465163--10.494-
Gly-LysGly-LysME465164--2.257-
Gly-Pro(Glycylproline)-ME465165--4.03-
guaietolin-ME465166--8.309-
GuanineGuanineME465167--2.713-
GuvacolineGuvacolineME465168--2.341-
Haplopine-ME465169--4.014-
HexanoylcarnitineCAR 6:0ME465170--6.213-
HexanoylglycineHexanoylglycineME465171--4.522-
hexobarbital-ME465172--4.182-
HexylamineHexylamineME465173--1.612-
Hexylresorcinol-ME465174--7.88-
Hippuric acidHippuric acidME465175--5.425-
HomoarginineHomoarginineME465176--0.952-
Homogentisic acidHomogentisic acidME465177--2.661-
homomethionineHomomethionineME465178--2.176-
HordenineHordenineME465179--3.826-
hydralazineHydralazineME465180--2.949-
HYDROQUINONEHydroquinoneME465181--4.278-
Hydroxy bupropionHydroxybupropionME465182--6.723-
HydroxyhexanoycarnitineCAR 6:0;OHME465183--4.215-
hypaphorineLenticinME465184--4.879-
HypoxanthineHypoxanthineME465185--2.952-
Imafen-ME465186--2.359-
Imagabalin-ME465187--2.025-
Imidazol-5-yl-pyruvate-ME465188--1.989-
Indane-ME465189--10.427-
Indole-3-acetaldoxime-ME465190--2.431-
Indole-3-acetamide1H-Indole-3-acetamideME465191--2.232-
Indole-3-acetic acidIndoleacetic acidME465192--8.094-
Indole-3-lactic acidIndole-3-lactic acidME465193--7.587-
Indole-5_6-quinone-ME465194--5.763-
INDOLEACETALDEHYDEIndoleacetaldehydeME465195--2.741-
IndolineIndolineME465196--3.044-
Indolylmethylthiohydroximate-ME465197--3.695-
InosineInosineME465198--2.952-
intercept-ME465199--10.778-
IohexolIohexolME465200--3.607-
Isoamyl cyanide-ME465201--5.754-
Isococculidine-ME465202--6.113-
Isoniazid pyruvate-ME465203--5.219-
Kanosamine-ME465204--4.337-
KetamineKetamineME465205--5.91-
LactamideLactamideME465206--2.079-
L-alpha-lysophosphatidylcholine-ME465207--11.308-
LamotrigineLamotrigineME465208--6.538-
L-ArginineArginineME465209--0.948-
L-Ascorbate 6-phosphate-ME465210--0.964-
LaudanosineN-MethyltetrahydropapaverineME465211--7.036-
Lauramide-ME465212--10.657-
LAUROYLCARNITINECAR 12:0ME465213--10.269-
L-Carnitinamide-ME465214--0.947-
L-CitrullineCitrullineME465215--0.974-
L-CystineCystineME465216--0.975-
Leu-ValLeu-ValME465217--1.442-
LevetiracetamLevetiracetamME465218--4.51-
L-FormylkynurenineN-Formyl-L-kynurenineME465219--3.379-
L-gamma-Glutamyl-L-leucinegamma-GlutamylleucineME465220--4.835-
L-Glutamic acidGlutamic acidME465221--0.971-
L-GlutamineGlutamineME465222--0.97-
L-HistidineHistidineME465223--1.28-
L-HomocitrullineHomocitrullineME465224--1.064-
L-Homocysteic acidHomocysteic acidME465225--3.467-
L-HomocystineHomocystineME465226--3.693-
L-Hypoglycin-ME465227--1.5-
LidocaineLidocaineME465228--5.19-
Limonene-1_2-diol-ME465229--10.406-
L-IndospicineIndospicineME465230--2.485-
LinezolidLinezolidME465231--8.18-
Linoleyl carnitineCAR 18:2ME465232--10.415-
L-IsoleucineIsoleucineME465233--1.727-
L-LysineLysineME465234--0.8-
L-MethionineMethionineME465235--1.337-
L-MethionineS-oxideMethionine sulfoxideME465236--1.324-
L-OctanoylcarnitineCAR 8:0ME465237--9.242-
LotaustralinLotaustralinME465238--1.343-
L-PhenylalaninePhenylalanineME465239--1.483-
L-ProlineProlineME465240--1.443-
L-Pyroglutamic acidPyroglutamic acidME465241--0.968-
L-RhamnoseRhamnoseME465242--8.439-
L-ThreonineThreonineME465243--1.104-
L-TryptophanTryptophanME465244--4.384-
L-TyrosineTyrosineME465245--2.125-
L-Tyrosine methyl esterMethyl tyrosinateME465246--3.625-
MaltitolMaltitolME465247--10.238-
MannitolMannitolME465248--0.989-
Maraniol-ME465249--10.623-
(-)-Medicarpin-ME464837--3.198-
MelatoninMelatoninME465250--2.234-
meso-Tartaric acidMeso-tartaric acidME465251--5.893-
MetalaxylMetalaxylME465252--5.057-
Metamiton-ME465253--2.495-
Metazachlor OXA-ME465254--3.821-
MetforminMetforminME465255--1.044-
MethadoneMethadoneME465256--9.879-
metharbitalMetharbitalME465257--3.408-
MethohexitalMethohexitalME465258--5.743-
methyl 3,4,5-trihydroxycyclohex-1-ene-1-carboxylat...-ME465259--4.69-
Methyl 6-isopropyl-2-oxooctahydro-2H-cyclohepta[b]...-ME465260--10.234-
Methyl alpha-aspartylphenylalaninate-ME465261--5.436-
Methylimidazoleacetic acidMethylimidazoleacetic acidME465265--1.051-
Methyl isonicotinate-ME465262--1.082-
Methyl N-acetylglycylglycylglycinate-ME465264--1.068-
Methyl N-(tert-butoxycarbonyl)-L-leucinate-ME465263--4.504-
MetoprololMetoprololME465266--6.562-
MetronidazoleMetronidazoleME465267--3.651-
Metronidazole-OHMetronidazole-OHME465268--2.965-
met-thrMet-ThrME465269--2.706-
MirtazapineMirtazapineME465270--6.144-
MonooleinMG 18:1ME465271--11.161-
MorphineMorphineME465272--2.813-
Morphine-3-glucuronideMorphine-3-glucuronideME465273--2.83-
Moxisylyte-ME465274--3.654-
Myristamide-ME465275--10.877-
N1-AcetylspermidineN1-AcetylspermidineME465283--0.937-
N1-Methyl-2-pyridone-5-carboxamideN1-Methyl-2-pyridone-5-carboxamideME465284--2.846-
N2-Acetyl-L-aminoadipateN-Acetyl-2-aminoadipic acidME465286--3.626-
N2-Acetyl-L-lysineN(2)-AcetyllysineME465287--1.317-
N2-(D-1-Carboxyethyl)-L-lysineD-LysopineME465285--3.926-
N2-DimethylguanosineN2,N2-DimethylguanosineME465288--4.339-
N-(2-Hydroxyethyl)heptadecanamide-ME465276--10.33-
N-[(2S)-2-Hydroxypropanoyl]methionine-ME465282--2.512-
N3,N4-Dimethyl-L-arginine-ME465289--1.071-
N4-AcetylcytidineN4-AcetylcytidineME465290--3.938-
N4-AcetylsulfamethoxazoleN-AcetylsulfamethoxazoleME465291--7.848-
N5-(L-1-Carboxyethyl)-L-ornithineN(6)-Acetyl-N(6)-hydroxy-lysineME465292--2.267-
N6-Acetyl-L-lysineN6-AcetyllysineME465294--1.076-
N6-Acetyl-N6-hydroxy-L-lysineN(6)-Acetyl-N(6)-hydroxy-lysineME465295--9.941-
N-(6-Aminohexanoyl)-6-aminohexanoate-ME465277--5.672-
N6,N6,N6-Trimethyl-L-lysineN-6-TrimethyllysineME465293--0.939-
N-ACETYLASPARAGINEN-AcetylasparagineME465297--1.014-
N-Acetyl-L-citrullineN-AcetylcitrullineME465298--2.107-
N-AcetylleucylleucineN-Acetyl-leucyl-leucineME465299--1.158-
N-Acetyl-L-glutamate5-semialdehydeN-Acetyl-glutamate 5-semialdehydeME465300--5.485-
N-Acetyl-L-glutamicacidN-Acetyl-mannosamineME465301--6.046-
N-Acetyl-L-histidineN-AcetylhistidineME465302--1.106-
N-AcetylornithineN-AcetylornithineME465303--1.107-
N-AcetylserotoninN-AcetylserotoninME465304--5.873-
N-ACETYL ZONISAMIDE-ME465296--7.476-
N-alpha-AcetylargininePelargonidinME465305--1.339-
N(alpha)-Benzyloxycarbonyl-L-leucineN-Benzyloxycarbonyl-L-leucineME465278--4.964-
N-BenzylformamideN-benzylformamideME465306--2.862-
N-Butyryl-L-homoserinelactoneN-Butyryl-L-homoserine lactoneME465307--1.427-
NDA-ME465308--8.108-
N-Desmethylvenlafaxine-ME465309--8.09-
N-D-GlucosylarylamineN-D-GlucosylarylamineME465310--2.955-
n-Hexanamide-ME465311--1.16-
Nicotianamine(R,S,S)-NicotianamineME465312--4.213-
Nicotinuric acidNicotinuric acidME465313--4.808-
N-(indol-3-ylacetyl)glutamine-ME465279--6.416-
Nisoxetine-ME465314--9.209-
Nithiazide-ME465315--5.487-
Nitrosoheptamethyleneimine-ME465316--1.311-
N-Methyl-2-pyrrolidoneN-Methylpyrrolidin-2-oneME465317--3.468-
N-Methylanhalonine-ME465318--4.389-
N,N-Diisopropylethylamine (DIPEA)-ME465280--4.356-
N,N'-Diphenylguanidine-ME465281--5.665-
N-Nitrosoguvacoline-ME465319--1.139-
NoradrenalineXi-NorepinephrineME465320--3.398-
Norketamine-ME465321--5.839-
N-palmitoylserinol-ME465322--10.249-
N-Propyldodecanamide-ME465323--10.912-
n-RibosylhistidineN-RibosylhistidineME465324--2.252-
N-UndecanoylglycineN-UndecanoylglycineME465325--10.261-
O-3-methylglutarylcarnitine-ME465327--3.289-
O-(4,8-dimethylnonanoyl)carnitine-ME465326--10.205-
Octadecanoic acidStearic acidME465328--11.528-
OleamideOleamideME465329--11.086-
OLEOYL-GLYCEROLMG 18:1ME465330--10.651-
Olomoucine-ME465331--10.507-
Omeprazole sulphone-ME465332--9.539-
OndansetronOndansetronME465333--7.2-
OPHTHALMATEOphthalmic acidME465334--2.719-
ornithinoalanine-ME465335--2.224-
OrthophosphatePhosphoric acidME465336--1.302-
Oxepanone-ME465337--4.295-
Oxido(dioxo)vanadium-ME465338--14.592-
Oxohongdenafil-ME465339--7.312-
Oxycodone-ME465340--4.471-
Palmitoleic AcidPalmitoleic acidME465341--10.552-
PalmitoylcarnitineCAR 16:0ME465342--10.426-
Pantothenicacid(VitaminB5)Pantothenic acidME465343--3.811-
ParacetamolAcetaminophenME465344--4.004-
p-dimethylinamyl benzoate-ME465345--5.242-
PEG-4-ME465350--3.858-
PEG n5Pentaethylene glycolME465346--4.692-
PEG n6-ME465347--5.376-
PEG n7-ME465348--5.962-
PEG n8-ME465349--6.473-
Phenazone-ME465351--6.664-
PhenolPhenolME465352--2.143-
PhenylacetaldehydePhenylacetaldehydeME465353--2.133-
Phenylglyoxylic acidPhenylglyoxylic acidME465354--4.964-
Phenylisocyanate-ME465355--3.666-
PhenylpyruvatePhenylpyruvic acidME465356--2.143-
Phthalic anhydride-ME465357--10.618-
PhylloquinonePhylloquinoneME465358--10.906-
Pimilprost-ME465359--10.796-
Pipecolinic acidPipecolic acidME465360--1.295-
PiperideinePiperideineME465361--1.295-
PiperidinePiperidineME465362--3.81-
PiperinePiperineME465363--10.437-
Pitavastatin-ME465364--7.102-
PorphobilinogenPorphobilinogenME465365--3.654-
PorphyrinPorphyrinME465366--3.867-
Precocene IIPrecocene IIME465367--10.485-
ProlylleucinePro-LeuME465368--1.686-
Promethazine sulfoxide-ME465369--6.957-
pronetalol-ME465370--2.667-
PropionylcarnitineCAR 3:0ME465371--2.309-
Pulcherriminic acidPulcherriminic acidME465372--7.525-
PyridoxaminePyridoxamineME465373--3.513-
Pyroglutamic AcidPyroglutamic acidME465374--5.666-
PyrrolidinePyrrolidineME465375--1.168-
Pyrrolidine, 1-oleoyl--ME465376--10.809-
Quinic acidQuinic acidME465377--2.54-
quinidinone-ME465378--10.96-
QuinolineQuinolineME465379--4.384-
(R)-3-hydroxybutyrylcarnitineCAR 4:0;3OHME464852--1.947-
(R)-Coclaurine-ME464853--3.36-
RetinolRetinolME465380--9.678-
Ropivacaine-ME465381--6.85-
(S)-4-Amino-5-oxopentanoate-ME464854--1.698-
S-(5-histidyl)cysteine sulfoxide-ME465382--4.746-
S-ADENOSYLHOMOCYSTEINES-AdenosylhomocysteineME465383--2.516-
SalsolinolSalsolinolME465384--4.514-
SEROTONINSerotoninME465385--2.173-
ShikimateShikimic acidME465386--0.954-
SinapylalcoholSinapyl alcoholME465387--9.165-
S-Methyl-1-thio-D-glycerate-ME465388--1.459-
sn-glycero-3-Phosphocholinesn-Glycero-3-phosphocholineME465389--1.002-
SpermineSpermineME465390--0.943-
S-Phenyl-D-cysteine-ME465391--5.039-
SphingosineSphingosineME465392--10.341-
Spiroxamine-ME465393--10.292-
Succinic anhydrideSuccinic anhydrideME465394--1.9-
Sulfafurazole-ME465395--4.595-
SulfamethoxazoleSulfamethoxazoleME465396--6.41-
Sulfonylbismethane-ME465397--1.239-
Sulforaphane-ME465398--7.069-
Talampanel-ME465399--6.13-
TalampicillinTalampicillinME465400--3.258-
TaurohyocholateTaurohyocholic acidME465401--11.36-
TazobactamTazobactamME465402--5.793-
TetraacetylethylenediamineTetraacetylethylenediamineME465403--1.168-
TetralinTetralinME465404--5.284-
TheobromineTheobromineME465405--4.331-
TheophyllineTheophyllineME465406--4.963-
THTA2-Tetrahydrothiopheneacetic acidME465407--2.186-
Tolperisone-ME465408--8.546-
tranexamic acidTranexamic acidME465409--4.778-
trans-2-DodecenoylcarnitineCAR 12:1(2E)ME465410--10.213-
trans-3-Indoleacrylic acid-ME465411--4.385-
(-)-trans-Carveoltrans-CarveolME464838--5.872-
Trans-Cinnamicacidtrans-Cinnamic acidME465412--3.062-
Triethylene glycol-ME465413--2.839-
Triisopropanolamine-ME465414--1.307-
Trilostane-ME465415--9.929-
trimethadioneTrimethadioneME465416--2.762-
TrimethoprimTrimethoprimME465417--5.247-
TrimethylamineN-oxideTrimethylamine N-oxideME465418--0.977-
Trimethylsilyl N,O-bis(trimethylsilyl)serinate-ME465419--10.935-
Triphenylphosphine oxide-ME465420--10.287-
Tris(hydroxymethyl)aminomethane2-Amino-2-methylol-propane-1,3-diolME465421--0.974-
Trp-PheTrp-PheME465422--7.272-
tyramine sulfate-ME465423--2.425-
UracilUracilME465424--2.245-
Uramil-ME465425--2.963-
Uric acidUric acidME465426--1.79-
UridineUridineME465427--2.243-
ValclavamValclavamME465428--5.074-
ValineValineME465429--1.169-
ValylvalineVal-ValME465430--1.362-
VenlafaxineVenlafaxineME465431--8.037-
Veronal5,5-Diethylbarbituric acidME465432--2.499-
Vestitol-ME465433--1.189-
XanthineXanthineME465434--2.201-
Xanthohumol-ME465435--6.657-
ZalcitabineZalcitabineME465436--1.266-
ZearalenoneZearalenoneME465437--10.331-
(Z)-Thiamethoxam-ME464855--3.795-
α-Aspartylphenylalanine-ME465438--4.859-
γ-Linolenic acid ethyl ester-ME465439--11.09-


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
1,3-Dithiane-ME465441--14.446-
1_4-Diguanidinobutane-ME465442--10.108-
2-Amino-6-hydroxyaminopurine-ME465443--7.169-
2-Hydroxyethanesulfonate2-HydroxyethanesulfonateME465444--1.762-
2-Hydroxyfluorene2-HydroxyfluoreneME465445--0.941-
2-Methacryloyloxyethyl phenyl phosphate-ME465446--2.427-
2-Methyl-3-thioacetoxy-4,5-dihydrofuran-ME465447--0.967-
3,7,3',4'-Tetramethylquercetin-ME465448--1.015-
3-Hydroxybutyricacid3-Hydroxybutyric acidME465449--2.233-
3-Methylindolepyruvate-ME465450--1.215-
3-Vinyl-1,2-dithiacyclohex-5-ene-ME465451--9.666-
4-styrenesulfonic acid-ME465452--1.699-
5_10-Methylenetetrahydrofolate-ME465453--4.309-
5'-Methylthioadenosine5'-MethylthioadenosineME465454--1.068-
5-OxoprolinePyroglutamic acidME465455--1.869-
8-Azaguanine-ME465456--6.056-
8-Ethyl-11-methyl-2-(4-methyl-5-oxotetrahydro-2-fu...-ME465457--10.263-
AICARAICARME465458--0.946-
AlanyltyrosineAla-TyrME465459--4.696-
AnhydrotetracyclineAnhydrotetracyclineME465460--0.986-
Balsalazide-ME465461--4.542-
BenzylamineBenzylamineME465462--9.9-
benzylbenzoateBenzyl BenzoateME465463--0.984-
BergaptolBergaptolME465464--1.23-
Beta-Alaninebeta-AlanineME465465--0.968-
BiochaninABiochanin AME465466--1.055-
Bisphenol ABisphenol AME465467--0.975-
ChorismateChorismic acidME465468--1.178-
Clavulanate-9-aldehydeClavulanate-9-aldehydeME465469--1.516-
CreatinineCreatinineME465470--0.932-
CYS-GLYCys-GlyME465471--0.961-
CYSTATHIONINECystathionineME465472--2.189-
CYTIDINECytidineME465473--0.974-
D-ArabinonateArabinonic acidME465474--3.355-
DEOXYURIDINE-MONOPHOSPHATEdUMPME465475--1.347-
D-ErythroseErythroseME465476--0.941-
D-FructoseFructoseME465477--4.974-
D-GalactonateGalactonic acidME465478--4.731-
Dibekacin-ME465479--10.79-
Dihydropteroate-ME465480--0.941-
Dihydroxyfumarate(E)-2,3-Dihydroxybut-2-enedioic acidME465481--14.45-
Dinitrosopentamethylenetetramine-ME465482--7.755-
DithranolAnthralinME465483--0.941-
D-RiboseRiboseME465484--3.525-
D-SerineD-SerineME465485--0.937-
FormononetinFormononetinME465486--1.227-
Fumaric acidFumaric acidME465487--5.275-
Gamma-Aminobutyricacid(GABA)gamma-Aminobutyric acidME465488--0.968-
Gluconic acidGluconic acidME465489--4.053-
Glutaric acidGlutaric acidME465490--0.94-
GLYCERALDEHYDEGlyceraldehydeME465491--1.316-
GLYCEROL 3-PHOSPHATEsn-Glycero-3-phosphateME465492--1.707-
Guanidineacetic acidGuanidoacetic acidME465493--4.228-
IsoliquiritigeninIsoliquiritigeninME465494--1.022-
L-2-Amino-3-oxobutanoic acidL-2-Amino-3-oxobutanoic acidME465495--1.34-
LamivudineLamivudineME465496--1.344-
L-Malic acidMalic acidME465497--14.451-
L-Threonic acidThreonic acidME465498--1.719-
METHIONINE SULFOXIMINEMethionine sulfoximineME465499--0.928-
MethotrexateMethotrexateME465500--10.215-
MorphinoneMorphinoneME465501--0.971-
N-ACETYLASPARAGINEN-AcetylasparagineME465502--0.984-
N-Acetyl-L-glutamate5-phosphate-ME465503--6.067-
N-acetylmuramate6-phosphate-ME465504--5.578-
Nicotinate D-ribonucleotideNicotinic acid mononucleotideME465505--1.697-
N-RibosylnicotinamideNicotinamide ribosideME465506--0.994-
OB4972000-ME465507--1.688-
O-Phospho-L-homoserineO-PhosphohomoserineME465508--7.765-
OrthophosphatePhosphoric acidME465509--1.58-
OseltamivirOseltamivirME465510--10.629-
oxiramide-ME465511--10.419-
Pederin-ME465512--10.248-
p-Fluoropropiophenone-ME465513--0.936-
Phenylsilane-ME465514--0.931-
PorphyrinPorphyrinME465515--6.49-
Pyruvic acidPyruvic acidME465516--0.943-
(S)-4-Amino-5-oxopentanoate-ME465440--1.612-
SAT-ME465517--11.661-
Ser-SerSer-SerME465518--0.948-
Succinic acidSuccinic acidME465519--1.827-
tebuthiuron-ME465520--4.445-
ThiaminThiamineME465521--0.993-
ThiolactomycinThiolactomycinME465522--0.982-
Tilnoprofen arbamel-ME465523--10.381-
UridineUridineME465524--1.804-
Xanthohumol-ME465525--6.991-
Xanthone-ME465526--0.999-


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