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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 acidME633724--1.91103.040124
3-hydroxybutyrate3-Hydroxybutyric acidME633725--2.19103.040324
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME633731--4.27129.053324
alpha-muricholatealpha-Muricholic acidME633811--9.38407.279824
alpha-N-phenylacetylglutaminealpha-N-PhenylacetylglutamineME633779--4.48263.103224
AMPAMPME633802--1.16346.056224
aspartateAspartic acidME633734--0.61132.030524
beta-muricholatebeta-Muricholic acidME633812--9.45407.279824
chenodeoxycholateChenodeoxycholic acidME633808--10.61391.284724
cholateCholic acidME633810--10.1407.278424
cis-aconitatecis-Aconitic acidME633750--1.26173.009024
citramalateCitramalic acidME633741--1.7147.026524
citrateCitric acidME633759--1.25191.019824
deoxycholateDeoxycholic acidME633809--10.68391.285024
deoxycytidineDeoxycytidineME633770--1.22226.083024
FA(10:0-COOH)Sebacic acidME633762--7.5201.112924
FA(10:0-OH)Hydroxydecanoic acidME633757--9.12187.133624
FA(11:0-COOH)Dodecanedioic acidME633766--8.17215.128724
FA(12:0)Lauric acidME633761--10.75199.170124
FA(12:0-OH)Hydroxydodecanoic acidME633767--9.83215.164824
FA(12:1)Dodecenoic acidME633760--10.39197.154424
FA(14:0)Myristic acidME633771--11.26227.201024
FA(14:0-OH)Hydroxytetradecanoic acidME633774--10.56243.196324
FA(14:1)Tetradecenoic acidME633769--10.99225.185924
FA(14:2)Tetradecadienoic acidME633768--10.68223.170324
FA(15:0)Pentadecylic acidME633772--11.45241.216924
FA(16:0)Palmitic acidME633776--11.64255.233524
FA(16:0-COOH)Heptadecanedioic acidME633788--10.35285.206724
FA(16:0-OH)Hydroxyhexadecanoic acidME633781--11.09271.227624
FA(16:1)Hexadecenoic acidME633775--11.38253.217424
FA(17:0)Margaric acidME633780--11.83269.248424
FA(18:0)Stearic acidME633787--12.02283.264724
FA(18:1)Octadecenoic acidME633785--11.73281.249324
FA(18:2)Octadecadienoic acidME633784--11.51279.233624
FA(18:3)Octadecatrienoic acidME633783--11.31277.217424
FA(18:4)Octadecatetraenoic acidME633782--11.1275.201224
FA(19:1)Nonadecenoic acidME633789--11.91295.263924
FA(20:0)Arachidic acidME633796--12.45311.295224
FA(20:1)Eicosenoic acidME633795--12.09309.279924
FA(20:2)Eicosadienoic acidME633794--11.85307.264124
FA(20:3)Eicosatrienoic acidME633793--11.69305.248824
FA(20:4)Arachidonic acidME633792--11.48303.233624
FA(20:5(5Z,8Z,11Z,14Z,17Z)))DPAME633791--11.29301.218024
FA(22:0)Behenic acidME633801--12.99339.326424
FA(22:3)Docosatrienoic acidME633800--11.99333.279424
FA(22:4)Docosatetraenoic acidME633799--11.77331.264724
FA(22:5)Docosapentaenoic acidME633798--11.58329.249124
FA(22:6(4Z,7Z,10Z,16Z,19Z))DHAME633797--11.47327.233624
FA(24:0)Lignoceric acidME633804--13.69367.357724
FA(24:1)Tetracosenoic acidME633803--13.06365.342224
FA(8:0-COOH)Azelaic acidME633751--6.31173.080524
FA(8:0-OH)Hydroxyoctanoic acidME633744--7.21159.102424
FA(9:0-COOH)Azelaic acidME633756--6.71187.097424
gamma-glutamylisoleucinegamma-GlutamylisoleucineME633778--4.03259.129324
gamma-glutamylleucinegamma-GlutamylleucineME633777--4.18259.127824
glutamateGlutamic acidME633740--0.64146.046424
glutamineGlutamineME633738--0.61145.062124
glutarateGlutaric acidME633733--3.05131.035024
glycochenodeoxycholateGlycochenodeoxycholic acidME633814--10.06448.305624
glycocholateGlycocholic acidME633818--9.57464.302924
glycodeoxycholateGlycodeoxycholic acidME633815--10.2448.306124
glycohyocholateGlycohyocholic acidME633819--9.57464.302924
glycohyodeoxycholateGlycohyodeoxycholic acidME633817--9.26448.307124
glycoursodeoxycholateGlycoursodeoxycholic acidME633816--9.26448.307124
hippurateHippuric acidME633752--4.36178.050524
histidineHistidineME633743--0.59154.062424
hydroxyphenyllactic acidHydroxyphenyllactic acidME633754--3.79181.050024
hyodeoxycholateHyodeoxycholic acidME633807--9.98391.284724
indoleacrylateIndoleacrylic acidME633755--3.63186.056124
indole lactateIndolelactic acidME633764--5.5204.065524
ketoleucineKetoleucineME633732--4.51129.055624
kynurenateKynurenic acidME633758--4.35188.035224
lactateLactic acidME633723--1.0889.024424
malateMalic acidME633735--0.86133.014924
maleateMaleic acidME633727--0.91115.004524
methyl-3-hydroxybenzoateMethyl 3-hydroxybenzoateME633742--4.9151.039324
m-hydroxybenzoate3-Hydroxybenzoic acidME633737--6.12137.023224
N-acetylleucineN-AcetylleucineME633749--5.44172.097324
N-acetylphenylalanineN-AcetylphenylalanineME633765--5.63206.081824
N-methylaspartateN-Methyl-D-aspartic acidME633739--1.07146.045924
omega-muricholateomega-Muricholic acidME633813--9.45407.279824
phenylacetatePhenyl acetateME633736--4.04135.046824
phenylalaninePhenylalanineME633746--2.95164.067024
phenyllactatePhenyllactic acidME633747--5.38165.054824
retinoateRetinoic acidME633790--11.12299.201724
S-allylcysteineS-AllylcysteineME633745--2.43160.043924
serineSerineME633726--0.59104.035424
sphingosine-1P (C18)Sphingosine 1-phosphateME633805--10.67378.241724
succinateSuccinic acidME633728--1.63117.016824
taurineTaurineME633730--0.61124.008024
tauro-alpha-muricholateTauro-alpha-muricholic acidME633825--8.4514.285324
tauro-alpha-muricholate + tauro-beta-muricholiateTauromuricholic acidME633826--8.4514.285324
tauro-beta-muricholateTauro-beta-muricholic acidME633827--8.4514.285324
taurochenodeoxycholateTaurochenodeoxycholic acidME633822--9.92498.290524
taurocholateTaurocholic acidME633828--10.08514.285624
taurodeoxycholateTaurodeoxycholic acidME633823--9.92498.290524
taurohyocoholateTaurohyocholic acidME633824--9.13514.284424
taurohyodeoxycholateTaurohyodeoxycholic acidME633820--8.92498.290224
tauroursodeoxycholateTauroursodeoxycholic acidME633821--8.92498.290324
threonineThreonineME633729--0.63118.051324
tryosineTyrosineME633753--1.7180.061424
tryptophanTryptophanME633763--3.63203.083024
urateUric acidME633748--1.27167.021424
uridineUridineME633773--1.89243.062124
ursodeoxycholateUrsodeoxycholic acidME633806--9.98391.284724
xanthosineXanthosineME633786--2.82283.068824


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