title: Identification of in vitro and in vivo metabolites of isoimperatorin using liquid chromatography/mass spectrometry.
abstract: The objective of the present study was to develop a practical strategy for the identification of metabolites following the in vivo metabolism and in vitro microbial biotransformation of isoimperatorin using liquid chromatography hybrid triple quadrupole-linear ion trap mass spectrometry (LC/QTRAP-MS) and liquid chromatography time of flight mass spectrometry (LC/TOF-MS). As a result, 19 metabolites were characterised in rat urine, plasma, bile and faeces after the oral administration of isoimperatorin and 13 products were identified in the sample from the transformation. Four metabolites were prepared by in vitro microbial biotransformation, and one was confirmed to be a novel compound. The side chain of isoimperatorin was found to be the primary metabolic site that underwent oxidation metabolism both in vivo and in vitro, and the metabolism of isoimperatorin in vivo and in vitro has good correlation. This is the first study of the metabolism of isoimperatorin in vivo.
authors.affiliation: School of Pharmacy, Hebei Medical University, 361 East Zhongshan Road, Shijiazhuang 050017, China.
authors.forename: Xiaowei
authors.initials: X
authors.lastname: Shi
authors.forename: Man
authors.initials: M
authors.lastname: Liu
authors.forename: Min
authors.initials: M
authors.lastname: Zhang
authors.forename: Kerong
authors.initials: K
authors.lastname: Zhang
authors.forename: Songchen
authors.initials: S
authors.lastname: Liu
authors.forename: Shi
authors.initials: S
authors.lastname: Qiao
authors.forename: Rui
authors.initials: R
authors.lastname: Shi
authors.forename: Xijuan
authors.initials: X
authors.lastname: Jiang
authors.forename: Qiao
authors.initials: Q
authors.lastname: Wang
mesh_terms: D000818:Animals; D001711:Biotransformation; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D020093:Cunninghamella / Q000737:chemistry / Q000378:metabolism*; D011564:Furocoumarins / Q000008:administration & dosage / Q000737:chemistry* / Q000378:metabolism*; D006801:Humans; D008297:Male; D013058:Mass Spectrometry / Q000379:methods*; D051381:Rats; D017207:Rats, Sprague-Dawley
chemical_list: D011564:Furocoumarins; C055542:isoimperatorin