title: Identification of active compounds and their metabolites by high-performance liquid chromatography/electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry from Xiao-xu-ming decoction (XXMD).
abstract: Xiao-xu-ming decoction (XXMD) prescription is a traditional Chinese prescription that has been widely used to treat theoplegia and the sequela of theoplegia. Modern pharmacological research has also indicated that the active fraction from XXMD is able to treat cardiovascular diseases and Alzheimer's disease. In the study reported here, high-performance liquid chromatography coupled with Fourier transform ion cyclotron resonance mass spectrometry (HPLC/FTICR-MS) was developed to identify active compounds and their metabolites after oral administration of active fraction from Xiao-xu-ming decoction to rats, using parent mass list triggered data-dependent multiple-stage mass analysis at a resolving power of 100,000 in the external calibration mode. The mass accuracies obtained for full-scan MS were within 2 ppm in most cases. Fifteen constituents were identified in the active fraction from XXMD and the biological samples of rats. The fragmentation behaviors of these constituents were summarized which would be helpful for structural characterization. The profiles of the constituents in the active fraction and biological samples of rats were obtained which provided us with much information for a better understanding of the chemical basis of the pharmacologic actions of XXMD.
authors.affiliation: Institute of Materia Medica, Chinese Academy of Medical Sciences & Peking Union Medical College, Beijing 100050, PR China.
authors.forename: Yilin
authors.initials: Y
authors.lastname: Wang
authors.forename: Chunguang
authors.initials: C
authors.lastname: Ding
authors.forename: Kehe
authors.initials: K
authors.lastname: Du
authors.forename: Yao
authors.initials: Y
authors.lastname: Xiao
authors.forename: Caisheng
authors.initials: C
authors.lastname: Wu
authors.forename: Jinlan
authors.initials: J
authors.lastname: Zhang
authors.forename: Hailin
authors.initials: H
authors.lastname: Qin
authors.forename: Guanhua
authors.initials: G
authors.lastname: Du
mesh_terms: D000818:Animals; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D004365:Drugs, Chinese Herbal / Q000737:chemistry* / Q000493:pharmacokinetics; D005243:Feces / Q000737:chemistry; D008297:Male; D013058:Mass Spectrometry / Q000295:instrumentation / Q000379:methods*; D010949:Plasma / Q000737:chemistry; D051381:Rats; D017208:Rats, Wistar; D014556:Urine / Q000737:chemistry
chemical_list: D004365:Drugs, Chinese Herbal