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Analysis: LC NEGATIVE ION MODE

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
isoLCAIsolithocholic acidME808430-C1765831.4375.288
LCALithocholic acidME8084299903C0399032.9375.3
alloLCAAllolithocholic acidME80842894228-31.1375.302
NorDCA23-Nordeoxycholic acidME8084310-25.7377.301
7-ketoLCA7-Ketolithocholic acidME8084320-30389.3
12-ketoLCA12-Ketolithocholic acidME8084330-25.7389.314
DCADeoxycholic acidME8084350-28.5391.3
CDCAChenodeoxycholic acidME8084360-27.9391.301
HDCAHyodeoxycholic acidME8084370-23.2391.303
beta-UDCAIsoursodeoxycholic acidME8084340-20.7391.311
NorCANorcholic acidME8084380-16393.211
DHCADehydrocholic acidME8084390--401.214
"7,12-diketoLCA"7,12-Diketolithocholic acidME8084400-11.7403.25
"6,7-diketoLCA"6,7-Diketolithocholic acidME8084410-25.3403.3
alpha-MCAalpha-Muricholic acidME8084420-15.6407.3
UCAUrsocholic acidME8084430-10.9407.301
beta-MCAbeta-Muricholic acidME8084440-16.6407.302
CACholic acidME8084450-22.1407.303
ACAAllocholic acidME8084460-21.6407.304
GLCAGlycolithocholic acidME8084470--448.2
GHDCAGlycohyodeoxycholic acidME8084480--448.276
GCDCAGlycochenodeoxycholic acidME8084490--448.277
GDCAGlycodeoxycholic acidME8084510-24.1448.279
GUDCAGlycoursodeoxycholic acidME8084500--448.279
LCA-3SLithocholic acid sulfateME8084520-31.7455.196
GCAGlycocholic acidME8084530-15.4464.281
TLCATaurolithocholic acidME8084540-29.9482.223
TDCATaurodeoxycholic acidME8084560-23.3498.35
TCDCATaurochenodeoxycholic acidME8084570-21.7498.357
THDCA+TUDCATaurohyodeoxycholic acidME8084550-12.9498.411
T-beta-MCATauro-beta-muricholic acidME8084600-6.02514.287
T-alpha-MCATauro-alpha-muricholic acidME8084590-5.67514.311
TCATaurocholic acidME8084580-14514.332


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