title: [Structure determination of three novel bile acids from bear bile powder].
abstract: A method of LC-QTOF/MS combining with chemical synthesis has been used to determine the structures of three novel bile acids from bear bile powder. Reference substances of tauroursodeoxycholic acid and taurochenodeoxycholic acid were oxidized by pyridinium chlorochromate. The products were analyzed by LC-QTOF/MS. Total 4 products including 3 isomers were predicted and identified according to the PCC oxidation theory and LC-QTOF/MS results. Bear bile powder samples were dissolved by methanol and analyzed by LC-QTOF/MS. Three unknown peaks were found and identified as 2-[[(3beta, 5beta)-3-hydroxy-7, 24-dioxocholan-24-yl]amino]-ethanesulfonic acid, 2-[[(5beta)-3, 7, 24-trioxocholan-24-yl]amino]-ethanesulfonic acid and 2-[[(5beta, 7beta)-7-hydroxy-3, 24-dioxocholan-24-yl]amino]-ethanesulfonic acid, separately, by matching their results with that of oxidation products above.
authors.affiliation: Shanghai Institute for Food and Drug Control, Shanghai 201203, China.
authors.forename: Long-Hai
authors.initials: LH
authors.lastname: Jian
authors.forename: Xiu-Hong
authors.initials: XH
authors.lastname: Mao
authors.forename: Ke
authors.initials: K
authors.lastname: Wang
authors.forename: Shen
authors.initials: S
authors.lastname: Ji
mesh_terms: D000818:Animals; D001646:Bile / Q000737:chemistry*; D001647:Bile Acids and Salts / Q000032:analysis / Q000737:chemistry*; D002853:Chromatography, Liquid / Q000379:methods*; D007536:Isomerism; D015394:Molecular Structure; D010084:Oxidation-Reduction; D011208:Powders / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D013655:Taurochenodeoxycholic Acid / Q000737:chemistry; D001503:Ursidae
chemical_list: D001647:Bile Acids and Salts; D011208:Powders; D013655:Taurochenodeoxycholic Acid; C031655:ursodoxicoltaurine