title: Characterization and rapid identification of chemical constituents of NaoXinTong capsules by UHPLC-linear ion trap/Orbitrap mass spectrometry.
abstract: The BuChang NaoXinTong (BNC) capsule is a well-known, traditional, prescribed Chinese medication for the treatment of cardiovascular and cerebrovascular diseases. Nevertheless, the chemical profile of BNC has not been established. In the present study, ultra-high-pressure liquid chromatography coupled with linear ion trap-Orbitrap tandem mass spectrometry (UHPLC-LTQ-Orbitrap) has been developed for rapid and high-throughput screening of the preliminary chemical profile of BNC in both positive and negative ion modes. Twenty-five compounds were identified as the standard available compounds by comparing the retention time and high-resolution accurate mass. For the standard unavailable compounds, the structures were presumed based on high-accuracy protonated precursors and multi-stage mass spectrometry (MS(n)) using the proposed strategy. In particular, flavones, isoflavones, and tanshinones had the same skeleton. Therefore, the standards were utilized to characterize the fragment pathways and diagnostic fragment ions that could be applied for structural elucidation of their derivatives. Meanwhile, all the constituent groups of the compounds were detected in the individual herbs comprising BNC. Finally, a total of 178 components were identified or tentatively characterized in BNC, including 21 flavones and 6 flavone glycosides, 18 phenanthraquinones, and 22 terpenoids. The identification and structure elucidation of these chemicals provide essential data for further phytochemical studies, quality control, and pharmacological studies of BNC.
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China; School of Traditional Chinese Medicine, Capital Medical University, Beijing 100069, PR China.
authors.forename: Wang
authors.initials: W
authors.lastname: Songsong
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China.
authors.forename: Xu
authors.initials: X
authors.lastname: Haiyu
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China.
authors.forename: Ma
authors.initials: M
authors.lastname: Yan
authors.affiliation: Laboratory of Drug Metabolism and Pharmacokinetics, Shenyang Pharmaceutical University, Shenyang 110016, PR China.
authors.forename: Wang
authors.initials: W
authors.lastname: Xuguang
authors.affiliation: Shaanxi University of Chinese Medicine, Xi'an 712046, PR China.
authors.forename: Shi
authors.initials: S
authors.lastname: Yang
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China.
authors.forename: Huang
authors.initials: H
authors.lastname: Bin
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China.
authors.forename: Tang
authors.initials: T
authors.lastname: Shihuan
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China.
authors.forename: Zhang
authors.initials: Z
authors.lastname: Yi
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China.
authors.forename: Li
authors.initials: L
authors.lastname: Defeng
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China. Electronic address: liangrixin2009@sina.com.
authors.forename: Liang
authors.initials: L
authors.lastname: Rixin
authors.affiliation: Institute of Chinese Materia Medica, China Academy of Chinese Medical Sciences, Beijing 100700, PR China. Electronic address: hongjun0420@vip.sina.com.
authors.forename: Yang
authors.initials: Y
authors.lastname: Hongjun
mesh_terms: D002214:Capsules / Q000737:chemistry*; D002851:Chromatography, High Pressure Liquid / Q000379:methods; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D047309:Flavones / Q000737:chemistry; D006027:Glycosides / Q000737:chemistry; D007477:Ions / Q000737:chemistry; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods
chemical_list: D002214:Capsules; D004365:Drugs, Chinese Herbal; D047309:Flavones; D006027:Glycosides; D007477:Ions; C533635:buchang naoxintong; C043562:flavone
keywords: Flavones; Monoterpene glycosides; NaoXinTong capsule; Tanshinones; UHPLC-LTQ-Orbitrap