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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 acidME635215--1.88103.040124
3-hydroxybutyrate3-Hydroxybutyric acidME635216--2.16103.040324
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME635222--4.27129.053224
alpha-muricholatealpha-Muricholic acidME635296--9.36407.280024
AMPAMPME635286--1.16346.056124
aspartateAspartic acidME635225--0.61132.030324
beta-muricholatebeta-Muricholic acidME635295--9.44407.279724
chenodeoxycholateChenodeoxycholic acidME635292--10.61391.284824
cholateCholic acidME635294--10.09407.275424
cis-aconitatecis-Aconitic acidME635236--1.13173.009124
citrateCitric acidME635246--1.12191.020024
deoxycholateDeoxycholic acidME635293--10.67391.285124
FA(10:0-COOH)Sebacic acidME635248--7.49201.113124
FA(10:0-OH)Hydroxydecanoic acidME635243--9.12187.133924
FA(11:0-COOH)Dodecanedioic acidME635252--8.16215.128924
FA(12:0)Lauric acidME635247--10.74199.170424
FA(12:0-OH)Hydroxydodecanoic acidME635253--9.82215.161124
FA(14:0)Myristic acidME635256--11.25227.201624
FA(14:0-OH)Hydroxytetradecanoic acidME635259--10.55243.196724
FA(14:1)Tetradecenoic acidME635255--10.93225.185824
FA(14:2)Tetradecadienoic acidME635254--10.67223.170324
FA(15:0)Pentadecylic acidME635257--11.44241.217424
FA(16:0)Palmitic acidME635261--11.63255.234124
FA(16:0-COOH)Heptadecanedioic acidME635272--10.34285.206324
FA(16:0-OH)Hydroxyhexadecanoic acidME635265--11.08271.228024
FA(16:1)Hexadecenoic acidME635260--11.36253.218024
FA(17:0)Margaric acidME635264--11.82269.249124
FA(18:0)Stearic acidME635271--12.01283.265724
FA(18:1)Octadecenoic acidME635269--11.72281.249824
FA(18:2)Octadecadienoic acidME635268--11.5279.233924
FA(18:3)Octadecatrienoic acidME635267--11.3277.217724
FA(18:4)Octadecatetraenoic acidME635266--11.09275.201224
FA(19:1)Nonadecenoic acidME635273--11.9295.264624
FA(20:0)Arachidic acidME635280--12.44311.295824
FA(20:1)Eicosenoic acidME635279--12.09309.281324
FA(20:2)Eicosadienoic acidME635278--11.84307.265324
FA(20:3)Eicosatrienoic acidME635277--11.63305.249624
FA(20:4)Arachidonic acidME635276--11.47303.234124
FA(20:5(5Z,8Z,11Z,14Z,17Z)))DPAME635275--11.28301.217924
FA(22:0)Behenic acidME635285--12.98339.327124
FA(22:3)Docosatrienoic acidME635284--11.97333.280424
FA(22:4)Docosatetraenoic acidME635283--11.76331.265424
FA(22:5)Docosapentaenoic acidME635282--11.64329.249724
FA(22:6(4Z,7Z,10Z,16Z,19Z))DHAME635281--11.46327.234224
FA(24:0)Lignoceric acidME635288--13.68367.358624
FA(24:1)Tetracosenoic acidME635287--13.06365.343024
FA(8:0-COOH)Azelaic acidME635237--6.29173.081424
FA(8:0-OH)Hydroxyoctanoic acidME635230--7.19159.102624
FA(9:0-COOH)Azelaic acidME635242--6.7187.097424
gamma-glutamylisoleucinegamma-GlutamylisoleucineME635262--4.17259.129424
gamma-glutamylleucinegamma-GlutamylleucineME635263--4.17259.129424
glutamateGlutamic acidME635228--0.63146.046024
glutamineGlutamineME635227--0.62145.061724
glutarateGlutaric acidME635224--2.68131.037024
glycochenodeoxycholateGlycochenodeoxycholic acidME635297--10.05448.301724
glycocholateGlycocholic acidME635301--9.56464.300124
glycodeoxycholateGlycodeoxycholic acidME635298--10.19448.303024
glycohyocholateGlycohyocholic acidME635302--9.56464.300124
glycohyodeoxycholateGlycohyodeoxycholic acidME635300--9.26448.306524
glycoursodeoxycholateGlycoursodeoxycholic acidME635299--9.26448.306524
hippurateHippuric acidME635238--4.35178.050324
histidineHistidineME635229--0.59154.062124
hydroxyindole acetate5-Hydroxyindoleacetic acidME635245--4.98190.050324
hydroxyphenyllactic acidHydroxyphenyllactic acidME635240--3.78181.050124
hyodeoxycholateHyodeoxycholic acidME635290--10.12391.280124
indoleacrylateIndoleacrylic acidME635241--3.61186.056024
indole lactateIndolelactic acidME635250--5.49204.064624
ketoleucineKetoleucineME635223--4.51129.055424
kynurenateKynurenic acidME635244--4.37188.034724
lactateLactic acidME635214--1.0889.024924
malateMalic acidME635226--0.85133.015024
maleateMaleic acidME635218--0.75115.005624
N-acetylleucineN-AcetylleucineME635235--5.42172.096524
N-acetylphenylalanineN-AcetylphenylalanineME635251--5.62206.081124
phenylalaninePhenylalanineME635232--2.92164.064624
phenyllactatePhenyllactic acidME635233--5.36165.053624
retinoateRetinoic acidME635274--11.08299.201324
S-allylcysteineS-AllylcysteineME635231--2.41160.044124
serineSerineME635217--0.59104.035224
sphingosine-1P (C18)Sphingosine 1-phosphateME635289--10.66378.241624
succinateSuccinic acidME635219--1.6117.015424
taurineTaurineME635221--0.61124.008224
tauro-alpha-muricholateTauro-alpha-muricholic acidME635308--8.75514.284624
tauro-alpha-muricholate + tauro-beta-muricholiateTauromuricholic acidME635307--8.84514.284324
tauro-beta-muricholateTauro-beta-muricholic acidME635305--8.84514.284224
taurocholateTaurocholic acidME635309--10.34514.284924
taurohyocoholateTaurohyocholic acidME635306--8.84514.284224
taurohyodeoxycholateTaurohyodeoxycholic acidME635303--9.56498.286624
tauroursodeoxycholateTauroursodeoxycholic acidME635304--8.96498.289024
threonineThreonineME635220--0.63118.051024
tryptophanTryptophanME635249--3.61203.082924
tyrosineTyrosineME635239--1.68180.057724
urateUric acidME635234--1.27167.021424
uridineUridineME635258--1.86243.062124
ursodeoxycholateUrsodeoxycholic acidME635291--9.98391.280524
xanthosineXanthosineME635270--2.81283.067224


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