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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
2-hydroxybutyrate2-Hydroxybutyric acidME636321--1.87103.040224
3-hydroxybutyrate3-Hydroxybutyric acidME636322--2.16103.040324
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME636328--4.27129.055224
alpha-muricholatealpha-Muricholic acidME636404--9.37407.279524
AMPAMPME636393--1.16346.055924
aspartateAspartic acidME636331--0.6132.030524
beta-muricholatebeta-Muricholic acidME636402--10.1407.278724
chenodeoxycholateChenodeoxycholic acidME636398--10.61391.283324
cholateCholic acidME636401--10.1407.278624
cis-aconitatecis-Aconitic acidME636343--1.2173.007924
citrateCitric acidME636353--1.17191.019724
deoxycholateDeoxycholic acidME636400--10.67391.284224
FA(10:0)Capric acidME636341--9.71171.138124
FA(10:0-COOH)Sebacic acidME636355--7.48201.112924
FA(10:0-OH)Hydroxydecanoic acidME636350--8.77187.133624
FA(11:0-COOH)Dodecanedioic acidME636359--8.16215.128724
FA(12:0)Lauric acidME636354--10.75199.170124
FA(12:0-OH)Hydroxydodecanoic acidME636360--9.82215.164524
FA(14:0)Myristic acidME636363--11.25227.201524
FA(14:0-OH)Hydroxytetradecanoic acidME636366--10.56243.195924
FA(14:1)Tetradecenoic acidME636362--10.94225.185624
FA(14:2)Tetradecadienoic acidME636361--10.68223.169824
FA(15:0)Pentadecylic acidME636364--11.45241.217324
FA(16:0)Palmitic acidME636368--11.64255.233524
FA(16:0-COOH)Heptadecanedioic acidME636379--10.35285.205924
FA(16:0-OH)Hydroxyhexadecanoic acidME636372--11.24271.227124
FA(16:1)Hexadecenoic acidME636367--11.37253.217824
FA(17:0)Margaric acidME636371--11.83269.248824
FA(18:0)Stearic acidME636378--12.02283.264824
FA(18:1)Octadecenoic acidME636376--11.73281.249224
FA(18:2)Octadecadienoic acidME636375--11.51279.233424
FA(18:3)Octadecatrienoic acidME636374--11.3277.217624
FA(18:4)Octadecatetraenoic acidME636373--11.09275.201124
FA(19:1)Nonadecenoic acidME636380--11.91295.264424
FA(20:0)Arachidic acidME636387--12.47311.295224
FA(20:1)Eicosenoic acidME636386--12.1309.280424
FA(20:2)Eicosadienoic acidME636385--11.85307.264824
FA(20:3)Eicosatrienoic acidME636384--11.69305.249024
FA(20:4)Arachidonic acidME636383--11.48303.233424
FA(20:5(5Z,8Z,11Z,14Z,17Z)))DPAME636382--11.29301.217524
FA(22:0)Behenic acidME636392--13.02339.326324
FA(22:3)Docosatrienoic acidME636391--11.99333.279524
FA(22:4)Docosatetraenoic acidME636390--11.77331.264724
FA(22:5)Docosapentaenoic acidME636389--11.65329.248924
FA(22:6(4Z,7Z,10Z,16Z,19Z))DHAME636388--11.46327.233424
FA(24:0)Lignoceric acidME636395--13.74367.357624
FA(24:1)Tetracosenoic acidME636394--13.1365.342324
FA(8:0-COOH)Azelaic acidME636344--6.28173.081724
FA(8:0-OH)Hydroxyoctanoic acidME636336--7.19159.102524
FA(9:0-COOH)Azelaic acidME636349--6.69187.097524
gamma-glutamylisoleucinegamma-GlutamylisoleucineME636369--4259.129424
gamma-glutamylleucinegamma-GlutamylleucineME636370--4.16259.129624
glutamateGlutamic acidME636334--0.63146.046024
glutamineGlutamineME636333--0.61145.062024
glutarateGlutaric acidME636330--2.67131.036924
glycochenodeoxycholateGlycochenodeoxycholic acidME636406--10.06448.304924
glycocholateGlycocholic acidME636407--9.56464.300224
glycodeoxycholateGlycodeoxycholic acidME636405--10.2448.304724
glycohyocholateGlycohyocholic acidME636408--9.56464.300324
hippurateHippuric acidME636345--4.34178.050624
histidineHistidineME636335--0.59154.062224
hydroxyindole acetate5-Hydroxyindoleacetic acidME636352--4.97190.050224
hydroxyphenyllactic acidHydroxyphenyllactic acidME636347--3.77181.050424
hyodeoxycholateHyodeoxycholic acidME636397--10.12391.283124
indoleacrylateIndoleacrylic acidME636348--3.59186.056024
indole lactateIndolelactic acidME636357--5.48204.066024
ketoleucineKetoleucineME636329--4.5129.055624
kynurenateKynurenic acidME636351--4.35188.035124
lactateLactic acidME636320--1.0889.024724
malateMalic acidME636332--0.84133.014324
maleateMaleic acidME636324--0.74115.003824
N-acetylleucineN-AcetylleucineME636342--5.42172.097724
N-acetylphenylalanineN-AcetylphenylalanineME636358--5.61206.081924
omega-muricholateomega-Muricholic acidME636403--9.45407.278924
phenylalaninePhenylalanineME636338--2.92164.070924
phenyllactatePhenyllactic acidME636339--5.35165.055024
retinoateRetinoic acidME636381--11.12299.201424
S-allylcysteineS-AllylcysteineME636337--2.4160.043724
serineSerineME636323--0.59104.035524
sphingosine-1P (C18)Sphingosine 1-phosphateME636396--10.67378.241124
succinateSuccinic acidME636325--1.6117.017624
taurineTaurineME636327--0.61124.008024
tauro-alpha-muricholateTauro-alpha-muricholic acidME636412--8.79514.283824
tauro-alpha-muricholate + tauro-beta-muricholiateTauromuricholic acidME636410--8.88514.282924
tauro-beta-muricholateTauro-beta-muricholic acidME636409--8.89514.282524
taurohyocoholateTaurohyocholic acidME636411--8.88514.282924
threonineThreonineME636326--0.63118.050824
tryptophanTryptophanME636356--3.59203.082724
tyrosineTyrosineME636346--1.66180.064924
urateUric acidME636340--1.24167.021124
uridineUridineME636365--1.85243.062224
ursodeoxycholateUrsodeoxycholic acidME636399--9.98391.283524
xanthosineXanthosineME636377--2.8283.067824


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