title: Identification of 3',4'-Dimethoxy Flavonol-3-β-d-Glucopyranoside Metabolites in Rats by Liquid Chromatography-Electrospray Ionization Ion Trap Mass Spectrometry.
abstract: A method using liquid chromatography-electrospray ionization ion trap mass spectrometry was established for the identification of metabolites in feces, urine and bile in rats after oral administration of 3',4'-dimethoxy flavonol-3-β-d-glucopyranoside (abbreviated DF3G). Seven metabolites in rat feces, urine and bile were firstly identified on the basis of their MS fragmentation behaviors. Three metabolites were identified in the feces, 6 in the urine and 2 in the bile, which suggested that demethylation, deglycosylation and deglycosylation followed by glucuronide conjugation were the major metabolic pathways for DF3G in vivo. Hydrolyzation might be the first step in the absorption and metabolism of DF3G. The possible metabolic pathway was proposed for the first time. The established method was simple, reliable and sensitive, revealing that it could be used to rapidly screen and identify the structures of metabolites of DF3G to better understand its metabolism in vivo.
authors.affiliation: Shanghai Institute of Technology, Shanghai 201418, China. zy61420@outlook.com.|Shanghai Key Laboratory for Pharmaceutical Metabolite Research, School of Pharmacy, Second Military Medical University, Shanghai 200433, China. zy61420@outlook.com.
authors.forename: Yuan
authors.initials: Y
authors.lastname: Zhu
authors.affiliation: Shanghai Key Laboratory for Pharmaceutical Metabolite Research, School of Pharmacy, Second Military Medical University, Shanghai 200433, China. wenjunapple@163.com.
authors.forename: Jun
authors.initials: J
authors.lastname: Wen
authors.affiliation: Shanghai Key Laboratory for Pharmaceutical Metabolite Research, School of Pharmacy, Second Military Medical University, Shanghai 200433, China. caoyuqing1109@163.com.
authors.forename: Yuqing
authors.initials: Y
authors.lastname: Cao
authors.affiliation: Center for New Drug Research, School of Pharmacy, Second Military Medical University, Shanghai 200433, China. 13761571578@163.com.
authors.forename: Yuanying
authors.initials: Y
authors.lastname: Jiang
authors.affiliation: Shanghai 8 Plus 1 Pharmaceutical Technology Company Limited, Shanghai 200233, China. huangjh.81@188.com.
authors.forename: Jinghua
authors.initials: J
authors.lastname: Huang
authors.affiliation: Shanghai Key Laboratory for Pharmaceutical Metabolite Research, School of Pharmacy, Second Military Medical University, Shanghai 200433, China. guorfan@outlook.com.|Department of Clinical Pharmacy, Shanghai General Hospital, School of medicine, Shanghai Jiao Tong University, No. 100 Haining Road, Shanghai 200080, China. guorfan@outlook.com.
authors.forename: Guorong
authors.initials: G
authors.lastname: Fan
authors.affiliation: Department of Pharmacy, Branch of Shanghai First People's Hospital, Shanghai 200081, China. louyuefen@sina.cn.
authors.forename: Yuefen
authors.initials: Y
authors.lastname: Lou
mesh_terms: D000284:Administration, Oral; D000818:Animals; D001646:Bile / Q000737:chemistry / Q000187:drug effects* / Q000378:metabolism; D002853:Chromatography, Liquid; D005243:Feces / Q000737:chemistry; D047309:Flavones / Q000008:administration & dosage / Q000378:metabolism* / Q000652:urine; D044948:Flavonols / Q000302:isolation & purification* / Q000378:metabolism / Q000652:urine; D051381:Rats; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: C509288:3',4'-dimethoxyflavone; D047309:Flavones; D044948:Flavonols
keywords: ">d-glucopyranoside; 3′,4′-dimethoxy flavonol-3-β-; LC-ESI/MSn; metabolic pathway; metabolites