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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 acidME625315--1.85103.040724
3-hydroxybutyrate3-Hydroxybutyric acidME625314--2.15103.040224
alpha-muricholatealpha-Muricholic acidME625386--10.09407.279724
AMPAMPME625381--1.15346.056124
aspartateAspartic acidME625322--0.61132.030424
beta-muricholatebeta-Muricholic acidME625387--10.09407.279724
cholateCholic acidME625389--10.09407.279724
cis-aconitatecis-Aconitic acidME625333--1.23173.008624
citrateCitric acidME625343--1.07191.019724
FA(10:0-COOH)Sebacic acidME625345--7.47201.112924
FA(10:0-OH)Hydroxydecanoic acidME625340--9.11187.132924
FA(11:0-COOH)Dodecanedioic acidME625348--8.15215.128724
FA(12:0)Lauric acidME625344--10.74199.168124
FA(12:0-OH)Hydroxydodecanoic acidME625349--10.08215.164724
FA(14:0)Myristic acidME625352--11.25227.199224
FA(14:0-OH)Hydroxytetradecanoic acidME625354--10.55243.195924
FA(14:1)Tetradecenoic acidME625351--10.96225.182924
FA(14:2)Tetradecadienoic acidME625350--10.67223.169024
FA(15:0)Pentadecylic acidME625353--11.44241.216524
FA(16:0)Palmitic acidME625356--11.64255.233824
FA(16:0-COOH)Heptadecanedioic acidME625367--10.34285.206824
FA(16:0-OH)Hydroxyhexadecanoic acidME625360--11.23271.224624
FA(16:1)Hexadecenoic acidME625355--11.37253.216824
FA(17:0)Margaric acidME625359--11.82269.249024
FA(18:0)Stearic acidME625366--12.02283.265424
FA(18:1)Octadecenoic acidME625364--11.73281.249724
FA(18:2)Octadecadienoic acidME625363--11.52279.232624
FA(18:3)Octadecatrienoic acidME625362--11.3277.214824
FA(18:4)Octadecatetraenoic acidME625361--11.09275.198824
FA(19:1)Nonadecenoic acidME625368--11.91295.264424
FA(20:0)Arachidic acidME625375--12.46311.295624
FA(20:1)Eicosenoic acidME625374--12.1309.280924
FA(20:2)Eicosadienoic acidME625373--11.85307.264924
FA(20:3)Eicosatrienoic acidME625372--11.69305.248924
FA(20:4)Arachidonic acidME625371--11.48303.233624
FA(20:5(5Z,8Z,11Z,14Z,17Z)))DPAME625370--11.28301.215424
FA(22:0)Behenic acidME625380--13339.326824
FA(22:3)Docosatrienoic acidME625379--11.98333.279824
FA(22:4)Docosatetraenoic acidME625378--11.77331.265524
FA(22:5)Docosapentaenoic acidME625377--11.65329.249524
FA(22:6(4Z,7Z,10Z,16Z,19Z))DHAME625376--11.46327.232824
FA(24:0)Lignoceric acidME625383--13.72367.358024
FA(24:1)Tetracosenoic acidME625382--13.08365.342624
FA(8:0-COOH)Azelaic acidME625334--5.71173.081624
FA(8:0-OH)Hydroxyoctanoic acidME625328--7.67159.102524
FA(9:0-COOH)Azelaic acidME625339--6.68187.097424
gamma-glutamylisoleucinegamma-GlutamylisoleucineME625357--3.99259.129424
gamma-glutamylleucinegamma-GlutamylleucineME625358--4.15259.129624
glutamateGlutamic acidME625326--0.64146.046224
glutamineGlutamineME625324--0.61145.062124
hippurateHippuric acidME625335--4.33178.050624
histidineHistidineME625327--0.6154.062024
hydroxyindole acetate5-Hydroxyindoleacetic acidME625342--4.97190.050324
hydroxyphenyllactic acidHydroxyphenyllactic acidME625337--3.76181.049724
hyodeoxycholateHyodeoxycholic acidME625385--9.98391.283524
indoleacrylateIndoleacrylic acidME625338--3.59186.055924
ketoleucineKetoleucineME625321--4.49129.055224
kynurenateKynurenic acidME625341--4.35188.035624
lactateLactic acidME625313--1.0789.024824
malateMalic acidME625323--0.85133.014624
maleateMaleic acidME625317--0.75115.004424
N-acetylleucineN-AcetylleucineME625332--5.41172.097624
N-acetylphenylalanineN-AcetylphenylalanineME625347--5.6206.081824
N-methylaspartateN-Methyl-D-aspartic acidME625325--1.03146.046024
omega-muricholateomega-Muricholic acidME625388--10.09407.279724
phenylalaninePhenylalanineME625330--2.9164.069124
retinoateRetinoic acidME625369--11.11299.200124
S-allylcysteineS-AllylcysteineME625329--2.39160.043824
serineSerineME625316--0.6104.035524
sphingosine-1P (C18)Sphingosine 1-phosphateME625384--10.67378.241124
succinateSuccinic acidME625318--1.56117.018124
taurineTaurineME625320--0.62124.008024
tauro-alpha-muricholateTauro-alpha-muricholic acidME625392--8.79514.283824
tauro-alpha-muricholate + tauro-beta-muricholiateTauromuricholic acidME625391--8.89514.283124
tauro-beta-muricholateTauro-beta-muricholic acidME625390--8.89514.282924
taurocholateTaurocholic acidME625393--10.51514.284224
threonineThreonineME625319--0.64118.050924
tryptophanTryptophanME625346--3.59203.082624
tyrosineTyrosineME625336--1.65180.063224
urateUric acidME625331--1.25167.021624
xanthosineXanthosineME625365--2.79283.068124


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