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Analysis: ESI negative ion mode

SelectMetabolite Name RefMet Name/Standardized Name* WorkBench
Metabolite_ID		 PubChem
Compound_ID		 Kegg Id Retention
time/index		 m/z ratio
12-Ketochenodeoxycholic acid12-Ketochenodeoxycholic acidME69839794235---
3-Oxocholic acid3-Dehydrocholic acidME69839844263354---
7-12-Ketolithocholic acid-ME698388----
7-Ketodeoxycholic acid7-Ketodeoxycholic acidME698390188292C04643--
7-Ketolithocholic acid7-Ketolithocholic acidME698391----
Allocholic acidAllocholic acidME698386160636C17737--
a-Muricholic acidalpha-Muricholic acidME6983995283852C17647--
b-Muricholic acidbeta-Muricholic acidME6984005283853C17726--
Chenodeoxycholic acidChenodeoxycholic acidME69838710133C02528--
Cholic acidCholic acidME698383221493C00695--
Dehydrolithocholic acidDehydrolithocholic acidME698389----
Deoxycholic acidDeoxycholic acidME698384222528C04483--
Dioxolithocholic acid-ME698395----
Glycochenodeoxycholic acidGlycochenodeoxycholic acidME69840312544C05466--
Glycocholic acidGlycocholic acidME69840410140C01921--
Hyodeoxycholic acidHyodeoxycholic acidME6983925283820C15517--
Isolithocholic acidIsolithocholic acidME698396164853C17658--
lam-MCA hyocholic acid-ME698401----
Lithocholic acidLithocholic acidME6983859903C03990--
Murocholic acidMurideoxycholic acidME6983935283821C15515--
Tauro-a-muricholic acidTauro-alpha-muricholic acidME698412----
Tauro-b-muricholic acidTauro-beta-muricholic acidME698413----
Taurochenodexycholic acidTaurochenodeoxycholic acidME698406387316C05465--
Taurocholic acidTaurocholic acidME6984076675C05122--
Taurodeoxycholic acidTaurodeoxycholic acidME6984052733768C05465--
Taurohyocholic acid (tauro-?-MCA)-ME698411----
Taurohyodeoxycholic acidTaurohyodeoxycholic acidME698408119046---
Taurolithocholic acidTaurolithocholic acidME698409439763C02592--
Tauroursodexycholic acidTauroursodeoxycholic acidME6984109848818C16868--
Tauro-w-muricholic acidTauro-omega-muricholic acidME698414----
Ursocholic acidUrsocholic acidME698415122340C17644--
Ursodeoxycholic acidUrsodeoxycholic acidME69839431401C07880--
w-Muricholic acidomega-Muricholic acidME6984025283851C17727--


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