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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 acidME632193--1.91103.040224
3,4-dihydroxybenzoateProtocatechuic acidME632210--4.31153.017624
3-hydroxybutyrate3-Hydroxybutyric acidME632194--2.19103.040324
3-methyl-2-oxovalerate3-Methyl-2-oxovaleric acidME632200--4.27129.055324
alpha-muricholatealpha-Muricholic acidME632278--9.37407.279524
AMPAMPME632270--1.18346.056624
aspartateAspartic acidME632203--0.61132.030524
beta-muricholatebeta-Muricholic acidME632280--10.1407.279924
chenodeoxycholateChenodeoxycholic acidME632274--10.68391.276124
cholateCholic acidME632281--10.1407.279924
cis-aconitatecis-Aconitic acidME632218--1.12173.009024
citrateCitric acidME632228--1.11191.020024
deoxycholateDeoxycholic acidME632275--10.68391.279024
deoxycytidineDeoxycytidineME632239--1.22226.083024
FA(10:0-COOH)Sebacic acidME632231--7.5201.112924
FA(10:0-OH)Hydroxydecanoic acidME632225--9.12187.133724
FA(11:0-COOH)Dodecanedioic acidME632235--8.17215.128924
FA(12:0)Lauric acidME632230--10.75199.170124
FA(12:0-OH)Hydroxydodecanoic acidME632236--9.82215.165124
FA(12:1)Dodecenoic acidME632229--10.39197.154524
FA(14:0)Myristic acidME632240--11.26227.201524
FA(14:0-OH)Hydroxytetradecanoic acidME632243--10.56243.196224
FA(14:1)Tetradecenoic acidME632238--10.99225.185824
FA(14:2)Tetradecadienoic acidME632237--10.68223.170024
FA(15:0)Pentadecylic acidME632241--11.45241.216924
FA(16:0)Palmitic acidME632245--11.64255.233524
FA(16:0-COOH)Heptadecanedioic acidME632256--10.35285.206724
FA(16:0-OH)Hydroxyhexadecanoic acidME632249--11.24271.227624
FA(16:1)Hexadecenoic acidME632244--11.37253.217624
FA(17:0)Margaric acidME632248--11.83269.248324
FA(18:0)Stearic acidME632255--12.02283.264724
FA(18:1)Octadecenoic acidME632253--11.73281.249124
FA(18:2)Octadecadienoic acidME632252--11.51279.233524
FA(18:3)Octadecatrienoic acidME632251--11.3277.217324
FA(18:4)Octadecatetraenoic acidME632250--11.1275.201124
FA(19:1)Nonadecenoic acidME632257--11.91295.263824
FA(20:0)Arachidic acidME632264--12.45311.295024
FA(20:1)Eicosenoic acidME632263--12.09309.280024
FA(20:2)Eicosadienoic acidME632262--11.84307.264124
FA(20:3)Eicosatrienoic acidME632261--11.64305.248624
FA(20:4)Arachidonic acidME632260--11.48303.233424
FA(20:5(5Z,8Z,11Z,14Z,17Z)))DPAME632259--11.29301.217424
FA(22:0)Behenic acidME632269--12.99339.326324
FA(22:3)Docosatrienoic acidME632268--11.98333.279424
FA(22:4)Docosatetraenoic acidME632267--11.77331.264824
FA(22:5)Docosapentaenoic acidME632266--11.64329.248824
FA(22:6(4Z,7Z,10Z,16Z,19Z))DHAME632265--11.46327.233524
FA(24:0)Lignoceric acidME632272--13.71367.357524
FA(24:1)Tetracosenoic acidME632271--13.07365.341924
FA(8:0-COOH)Azelaic acidME632219--6.3173.081624
FA(8:0-OH)Hydroxyoctanoic acidME632212--7.21159.102524
FA(9:0-COOH)Azelaic acidME632224--6.71187.097424
gamma-glutamylisoleucinegamma-GlutamylisoleucineME632246--4.03259.129224
gamma-glutamylleucinegamma-GlutamylleucineME632247--4.18259.129424
glutamateGlutamic acidME632209--0.64146.046324
glutamineGlutamineME632207--0.62145.062124
glutarateGlutaric acidME632202--2.7131.037224
glycochenodeoxycholateGlycochenodeoxycholic acidME632285--10.06448.306324
glycocholateGlycocholic acidME632287--9.57464.301524
glycodeoxycholateGlycodeoxycholic acidME632286--10.2448.306324
glycohyocholateGlycohyocholic acidME632288--9.57464.301524
glycohyodeoxycholateGlycohyodeoxycholic acidME632284--9.27448.306124
glycoursodeoxycholateGlycoursodeoxycholic acidME632283--9.27448.306124
hippurateHippuric acidME632220--4.36178.050624
histidineHistidineME632211--0.6154.062324
hydroxyindole acetate5-Hydroxyindoleacetic acidME632227--4.99190.050624
hydroxyphenyllactic acidHydroxyphenyllactic acidME632222--3.79181.050224
hyodeoxycholateHyodeoxycholic acidME632276--10.12391.284424
indoleacrylateIndoleacrylic acidME632223--3.63186.056024
indole lactateIndolelactic acidME632233--5.5204.065724
ketoleucineKetoleucineME632201--4.51129.055824
kynurenateKynurenic acidME632226--4.36188.035424
lactateLactic acidME632192--1.0789.024824
lithocholate glycine conjugateGlycolithocholic acidME632282--10.79432.317624
malateMalic acidME632204--0.86133.015424
maleateMaleic acidME632196--0.92115.004524
m-hydroxybenzoate3-Hydroxybenzoic acidME632206--6.12137.023624
N-acetylleucineN-AcetylleucineME632217--5.43172.097524
N-acetylphenylalanineN-AcetylphenylalanineME632234--5.63206.081824
N-methylaspartateN-Methyl-D-aspartic acidME632208--1.05146.045624
omega-muricholateomega-Muricholic acidME632279--9.37407.279524
phenylacetatePhenyl acetateME632205--4.04135.045524
phenylalaninePhenylalanineME632214--2.95164.069024
phenyllactatePhenyllactic acidME632215--5.38165.054924
retinoateRetinoic acidME632258--11.12299.201424
S-allylcysteineS-AllylcysteineME632213--2.43160.043624
serineSerineME632195--0.59104.035524
sphingosine-1P (C18)Sphingosine 1-phosphateME632273--10.67378.241524
succinateSuccinic acidME632197--1.62117.015624
taurineTaurineME632199--0.62124.008024
tauro-alpha-muricholateTauro-alpha-muricholic acidME632294--8.43514.283724
tauro-alpha-muricholate + tauro-beta-muricholiateTauromuricholic acidME632295--8.43514.283724
tauro-beta-muricholateTauro-beta-muricholic acidME632296--8.43514.283724
taurochenodeoxycholateTaurochenodeoxycholic acidME632292--9.8498.288724
taurocholateTaurocholic acidME632297--10.41514.284924
taurodeoxycholateTaurodeoxycholic acidME632289--10.58498.262624
taurohyocoholateTaurohyocholic acidME632293--8.83514.283524
taurohyodeoxycholateTaurohyodeoxycholic acidME632291--8.95498.288124
tauroursodeoxycholateTauroursodeoxycholic acidME632290--8.95498.288124
threonineThreonineME632198--0.63118.051724
tryosineTyrosineME632221--1.69180.061324
tryptophanTryptophanME632232--3.63203.082924
urateUric acidME632216--1.28167.021224
uridineUridineME632242--1.88243.061924
ursodeoxycholateUrsodeoxycholic acidME632277--9.98391.284724
xanthosineXanthosineME632254--2.82283.068124


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