title: An integrated high resolution mass spectrometric data acquisition method for rapid screening of saponins in Panax notoginseng (Sanqi).
abstract: The aim of this study was to develop a convenient method without pretreatments for nontarget discovery of interested compounds. The segment and exposure strategy, coupled with two mass spectrometer data acquisition methods was firstly proposed for screening the saponins in extract of Panax notoginseng (Sanqi) via high-performance liquid chromatography tandem quadrupole time-of-flight mass spectrometry (HPLC-QTOF/MS). By gradually removing certain major or moderate interference compounds, the developed segment and exposure strategy could significantly improve the detection efficiency for trace compounds. Moreover, the newly developed five-point screening approach based on a modified mass defect filter strategy and the visual isotopic ion technique was verified to be efficient and reliable in picking out the interested precursor ions. In total, 234 ginsenosides including 67 potential new ones were characterized or tentatively identified from the extract of Sanqi. Particularly, some unusual compounds containing the branched glycosyl group or new substituted acyl groups were firstly reported. The proposed integrated strategy held a strong promise for analyses of the complex mixtures.
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China.
authors.forename: Chang-Jiang-Sheng
authors.initials: CJ
authors.lastname: Lai
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China.
authors.forename: Ting
authors.initials: T
authors.lastname: Tan
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China.
authors.forename: Su-Ling
authors.initials: SL
authors.lastname: Zeng
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China.
authors.forename: Lian-Wen
authors.initials: LW
authors.lastname: Qi
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China.
authors.forename: Xin-Guang
authors.initials: XG
authors.lastname: Liu
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China.
authors.forename: Xin
authors.initials: X
authors.lastname: Dong
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China. Electronic address: liping2004@126.com.
authors.forename: Ping
authors.initials: P
authors.lastname: Li
authors.affiliation: State Key Laboratory of Natural Medicines (China Pharmaceutical University), No. 24 Tongjia lane, Nanjing 210009, China. Electronic address: liuehu2011@163.com.
authors.forename: E-Hu
authors.initials: EH
authors.lastname: Liu
mesh_terms: D002851:Chromatography, High Pressure Liquid; D004365:Drugs, Chinese Herbal / Q000737:chemistry*; D036145:Ginsenosides / Q000032:analysis; D007202:Indicators and Reagents; D013058:Mass Spectrometry; D053723:Panax notoginseng / Q000737:chemistry*; D015203:Reproducibility of Results; D012503:Saponins / Q000032:analysis*
chemical_list: D004365:Drugs, Chinese Herbal; D036145:Ginsenosides; D007202:Indicators and Reagents; D012503:Saponins; C587496:sanqi
keywords: Ginsenosides; Modified mass defect filter; Panax notoginseng; Segment and exposure; Visual isotopic ions