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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 acidME626829--1.91103.040124
3-hydroxybutyrate3-Hydroxybutyric acidME626830--2.17103.040124
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME626835--4.29129.055624
alpha-muricholatealpha-Muricholic acidME626887--9.38407.279624
aspartateAspartic acidME626837--0.61132.030124
beta-muricholatebeta-Muricholic acidME626886--9.46407.279024
chenodeoxycholateChenodeoxycholic acidME626884--10.68391.284724
cholateCholic acidME626889--10.11407.279724
cis-aconitatecis-Aconitic acidME626850--1.25173.008924
citrateCitric acidME626859--1.07191.019824
deoxycholateDeoxycholic acidME626885--10.69391.284724
deoxycytidineDeoxycytidineME626868--1.2226.083724
FA(10:0)Capric acidME626848--9.72171.139024
FA(10:0-COOH)Sebacic acidME626861--7.5201.113024
FA(10:0-OH)Hydroxydecanoic acidME626856--9.13187.133624
FA(11:0-COOH)Dodecanedioic acidME626865--8.17215.128624
FA(12:0)Lauric acidME626860--10.76199.170124
FA(12:0-OH)Hydroxydodecanoic acidME626866--9.83215.164924
FA(14:0-OH)Hydroxytetradecanoic acidME626870--10.56243.196124
FA(14:2)Tetradecadienoic acidME626867--10.69223.169624
FA(16:0-COOH)Heptadecanedioic acidME626875--10.36285.206724
FA(16:0-OH)Hydroxyhexadecanoic acidME626872--11.22271.227624
FA(18:3)Octadecatrienoic acidME626874--11.31277.216924
FA(18:4)Octadecatetraenoic acidME626873--11.1275.200624
FA(19:1)Nonadecenoic acidME626876--11.77295.263624
FA(20:5(5Z,8Z,11Z,14Z,17Z)))DPAME626878--11.29301.217024
FA(22:5)Docosapentaenoic acidME626880--11.66329.248124
FA(22:6(4Z,7Z,10Z,16Z,19Z))DHAME626879--11.47327.233124
FA(8:0-COOH)Azelaic acidME626851--6.3173.081624
FA(8:0-OH)Hydroxyoctanoic acidME626844--7.21159.102524
FA(9:0-COOH)Azelaic acidME626855--6.71187.097424
gamma-glutamylleucinegamma-GlutamylleucineME626871--4.19259.129424
glutamateGlutamic acidME626842--0.63146.045724
glutamineGlutamineME626841--0.62145.061724
glycocholateGlycocholic acidME626890--9.57464.301224
glycohyocholateGlycohyocholic acidME626891--9.57464.301224
hippurateHippuric acidME626852--4.36178.050724
histidineHistidineME626843--0.6154.062324
hydroxyindole acetate5-Hydroxyindoleacetic acidME626858--4.98190.050624
hydroxyphenyllactic acidHydroxyphenyllactic acidME626854--3.79181.050224
hyodeoxycholateHyodeoxycholic acidME626882--9.99391.284624
indole lactateIndolelactic acidME626863--5.5204.066124
ketoleucineKetoleucineME626836--4.53129.055624
kynurenateKynurenic acidME626857--4.36188.035124
lactateLactic acidME626828--1.0389.024524
malateMalic acidME626838--0.85133.014624
maleateMaleic acidME626832--0.76115.004524
m-hydroxybenzoate3-Hydroxybenzoic acidME626840--6.13137.023024
N-acetylleucineN-AcetylleucineME626849--5.44172.097624
N-acetylphenylalanineN-AcetylphenylalanineME626864--5.63206.082024
omega-muricholateomega-Muricholic acidME626888--9.38407.279624
phenylacetatePhenyl acetateME626839--3.79135.044824
phenylalaninePhenylalanineME626845--2.95164.069224
phenyllactatePhenyllactic acidME626846--5.38165.055324
retinoateRetinoic acidME626877--11.13299.201324
serineSerineME626831--0.59104.035424
sphingosine-1P (C18)Sphingosine 1-phosphateME626881--10.66378.241424
taurineTaurineME626834--0.61124.007624
tauro-alpha-muricholateTauro-alpha-muricholic acidME626896--8.57514.283724
tauro-alpha-muricholate + tauro-beta-muricholiateTauromuricholic acidME626895--8.63514.283024
tauro-beta-muricholateTauro-beta-muricholic acidME626894--8.64514.282824
taurohyodeoxycholateTaurohyodeoxycholic acidME626892--9.45498.288624
tauroursodeoxycholateTauroursodeoxycholic acidME626893--9.46498.288624
threonineThreonineME626833--0.64118.050724
tryptophanTryptophanME626862--3.63203.082624
tyrosineTyrosineME626853--1.68180.061424
urateUric acidME626847--1.27167.021124
uridineUridineME626869--1.88243.062024
ursodeoxycholateUrsodeoxycholic acidME626883--9.99391.284724


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