title: Rapid identification of ophiopogonins and ophiopogonones in Ophiopogon japonicus extract with a practical technique of mass defect filtering based on high resolution mass spectrometry.
abstract: This study was to develop and evaluate a practical approach of mass defect filtering (MDF), a post-acquisition data processing technique, for the rapid classification of complicated peaks into well-known chemical families based on the exact mass acquired by high resolution mass spectrometry. The full-scan LC-MS/MS data of the Ophiopogon japonicus extract was acquired using high performance liquid chromatography coupled with hybrid quadrupole-time of flight (LCMS-Q-TOF) system which features high resolution, mass accuracy, and sensitivity. To remove the interferences of the complex matrix, MDF approach was developed and employed to rapidly pick out the peaks of ophiopogonins and ophiopogonones from full-scan mass chromatograms. The accuracy of MDF was evaluated in reference to the result of structural identification. After the MDF based classification, both target and non-target components in Ophiopogon japonicus extract were characterized based on the detailed fragment ions analysis in the hybrid ion trap and time-of-flight mass spectrometry (LCMS-IT-TOF). By this approach, more than 50 ophiopogonins and 27 ophiopogonones were structurally characterized. The present results of rapid detection and identification of ophiopogonins and ophiopogonones suggest that the proposed MDF approach based on the high-resolution mass spectrometry data would be expected adaptable to the analysis of other herbal components.
authors.affiliation: State Key Laboratory of Natural Medicines, Key Lab of Drug Metabolism & Pharmacokinetics, China Pharmaceutical University, Tongjiaxiang 24, Nanjing 210009, China.
authors.forename: Tong
authors.initials: T
authors.lastname: Xie
authors.forename: Yan
authors.initials: Y
authors.lastname: Liang
authors.forename: Haiping
authors.initials: H
authors.lastname: Hao
authors.forename: Jiye
authors.initials: J
authors.lastname: A
authors.forename: Lin
authors.initials: L
authors.lastname: Xie
authors.forename: Ping
authors.initials: P
authors.lastname: Gong
authors.forename: Chen
authors.initials: C
authors.lastname: Dai
authors.forename: Linsheng
authors.initials: L
authors.lastname: Liu
authors.forename: An
authors.initials: A
authors.lastname: Kang
authors.forename: Xiao
authors.initials: X
authors.lastname: Zheng
authors.forename: Guangji
authors.initials: G
authors.lastname: Wang
mesh_terms: D007529:Isoflavones / Q000737:chemistry* / Q000302:isolation & purification; D013058:Mass Spectrometry / Q000379:methods*; D031441:Ophiopogon / Q000737:chemistry*; D010936:Plant Extracts / Q000737:chemistry; D035281:Plant Tubers / Q000737:chemistry; D012503:Saponins / Q000737:chemistry* / Q000302:isolation & purification; D013150:Spirostans / Q000737:chemistry* / Q000302:isolation & purification
chemical_list: D007529:Isoflavones; D010936:Plant Extracts; D012503:Saponins; D013150:Spirostans