Highly selective monitoring of in-source fragmentation sapogenin product ions in positive mode enabling group-target ginsenosides profiling and simultaneous identification of seven Panax herbal medicines

doi:10.1016/j.chroma.2020.460850

	Highly selective monitoring of in-source fragmentation sapogenin product ions in positive mode enabling group-target ginsenosides profiling and simultaneous identification of seven Panax herbal medicines
	Zhang, Chun-xia 2,3; Wang, Xiao-yan 2,3; Lin, Zhao-zhou 4; Wang, Hong-da 2,3; Qian, Yue-xin 2,3; Li, Wei-wei 2,3; Yang, Wen-zhi 2,3; Guo, De-an 1,2,3
刊名	JOURNAL OF CHROMATOGRAPHY A
	2020-05-10
卷号	1618 页码:11
关键词	In-source fragmentation Ginsenoside Selective ion monitoring Characteristic chromatogram Panax Traditional Chinese medicine formula
ISSN号	0021-9673
DOI	10.1016/j.chroma.2020.460850
通讯作者	Yang, Wen-zhi(wzyang0504@tjutcm.edu.cn) ; Guo, De-an(daguo@simm.ac.cn)
英文摘要	In-source fragmentation of ginsenosides in the positive ESI mode (pISF-G) frequently occurs, which results in little fragment information useful for the structural elucidation. We are aimed to unveil the genesic mechanism and explore its potential significance in quality control of Ginseng and the related compound formulae. By applying six high-resolution mass spectrometers from Agilent, Waters, and Thermo Fisher, we could primarily demonstrate the susceptibility of pISF-G. The ion clusters in the positive fullscan MS1 spectra were generated from the protonated sapogenins by successive elimination of H2O, and showed specificity for ginsenoside classification. Selective ion monitoring (SIM) of the sapogenin product ions could delineate group-target ginsenoside profiles from Ginseng. A high-selectivity characteristic chromatogram (CC) was elaborated for Ginseng, on the VionTM IMS-QTOF mass spectrometer by IM (ion mobility) separation and quadrupole filtering of four sapogenin fragments (m/z 407.37/CCS 206.24 angstrom(2); m/z 423.36/CCS 211.26 angstrom(2); m/z 439.36/CCS 209.60 angstrom(2); m/z 457.37/CCS 217.81 angstrom(2)). Chemometricanalysis, based on the CC data of seven Ginseng drugs (P. ginseng, P. quinquefolius, P. notoginseng, Red ginseng, leaf of P. ginseng, P. japonicus, and P. japonicus var. major), disclosed 35 marker compounds. We could readily discriminate among P. ginseng, P. quinquefolius, and P. notoginseng, in 15 different compound formulae by identifying these marker compounds on both the Vion IMS-QTOF and QTrap 4500 mass spectrometers. Conclusively, SIM of the pISF-G sapogenin product ions renders a new concept of CC enabling the group-target profiling of ginsenosides and authentication of Ginseng and the related compound formulae. (C) 2020 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[81872996] ; State Key Research and Development Project-Special Research of TCM modernization[2017YFC1702104] ; State Key Research and Development Project-Special Research of TCM modernization[2018YFC1707904] ; State Key Research and Development Project-Special Research of TCM modernization[2018YFC1707905] ; State Key Project for the Creation of Major New Drugs[2018ZX09711001-009-010] ; State Key Project for the Creation of Major New Drugs[2018ZX09735-002] ; Tianjin Municipal Education Commission Research Project[2017ZD07]
WOS关键词	LIQUID-CHROMATOGRAPHY ; MASS-SPECTROMETRY ; GINSENG SAPONINS ; METABOLOMICS ; TRAP ; DIFFERENTIATION ; STRATEGY ; QUINQUEFOLIUS ; NOTOGINSENG ; RESOLUTION
WOS研究方向	Biochemistry & Molecular Biology ; Chemistry
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000528932300027
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/280530]
专题	中国科学院上海药物研究所
通讯作者	Yang, Wen-zhi; Guo, De-an
作者单位	1.Chinese Acad Sci, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Shanghai Res Ctr Modernizat Tradit Chinese Med, 501 Haike Rd, Shanghai 201203, Peoples R China 2.Tianjin Univ Tradit Chinese Med, Tianjin State Key Lab Modern Chinese Med, 312 Anshanxi Rd, Tianjin 300193, Peoples R China 3.Tianjin Univ Tradit Chinese Med, Tianjin Key Lab TCM Chem & Anal, 312 Anshanxi Rd, Tianjin 300193, Peoples R China 4.Beijing Inst Chinese Med, Beijing 100010, Peoples R China
推荐引用方式 GB/T 7714	Zhang, Chun-xia,Wang, Xiao-yan,Lin, Zhao-zhou,et al. Highly selective monitoring of in-source fragmentation sapogenin product ions in positive mode enabling group-target ginsenosides profiling and simultaneous identification of seven Panax herbal medicines[J]. JOURNAL OF CHROMATOGRAPHY A,2020,1618:11.
APA	Zhang, Chun-xia.,Wang, Xiao-yan.,Lin, Zhao-zhou.,Wang, Hong-da.,Qian, Yue-xin.,...&Guo, De-an.(2020).Highly selective monitoring of in-source fragmentation sapogenin product ions in positive mode enabling group-target ginsenosides profiling and simultaneous identification of seven Panax herbal medicines.JOURNAL OF CHROMATOGRAPHY A,1618,11.
MLA	Zhang, Chun-xia,et al."Highly selective monitoring of in-source fragmentation sapogenin product ions in positive mode enabling group-target ginsenosides profiling and simultaneous identification of seven Panax herbal medicines".JOURNAL OF CHROMATOGRAPHY A 1618(2020):11.