Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection

doi:10.1016/j.jpba.2016.05.035

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 上海中药现代化研究中心

	Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection
	Yang, Wenzhi 1; Zhang, Jingxian 1; Yao, Changliang 1; Qiu, Shi 1; Chen, Ming 2; Pan, Huiqin 1; Shi, Xiaojian 1; Wu, Wanying1 ; Guo, Dean1
刊名	JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
	2016-09-05
卷号	128 页码:322-332
关键词	Xueshuantong Injection Minor saponins Offline two-dimensional liquid chromatography Quadrupole time-of-flight mass spectrometry Fast data directed analysis Structural elucidation
ISSN号	0731-7085
DOI	10.1016/j.jpba.2016.05.035
文献子类	Article
英文摘要	Xueshuantong Injection (XSTI), derived from Notoginseng total saponins, is a popular traditional Chinese medicine injection for the treatment of thrombus-resultant diseases. Current knowledge on its therapeutic basis is limited to five major saponins, whereas those minor ones are rarely investigated. We herein develop an offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis (offline 2D LC/QTOF-Fast DDA) approach to systematically characterize the saponins contained in XSTI. Key parameters affecting chromatographic separation in 2D LC (including stationary phase, mobile phase, column temperature, and gradient elution program) and the detection by QTOF MS (involving spray voltage, cone voltage, and ramp collision energy) were optimized in sequence. The configured offline 2D LC system showed an orthogonality of 0.84 and a theoretical peak capacity of 8976. Total saponins in XSTI were fractionated into eleven samples by the first-dimensional hydrophilic interaction chromatography, which were further analyzed by reversed phase UHPLC/QTOF-Fast DDA in negative ion mode. The fragmentation features evidenced from 36 saponin reference standards, high-accuracy MS and Fast-DDA-MS2 data, elemental composition (C < 80, H < 120, O < 50), double-bond equivalent (DBE 5-15), and searching an in-house library of Panax notoginseng, were simultaneously utilized for structural elucidation. Ultimately, 148 saponins were separated and characterized, and 80 have not been isolated from P. notoginseng. An in-depth depiction of the chemical composition of XSTI was achieved. The results obtained would benefit better understanding of the therapeutic basis and significant promotion on the quality standard of XSTI as well as other homologous products. (C) 2016 Published by Elsevier B.V.
资助项目	56th China Post-doctoral Science Foundation[2014M560364] ; National Natural Science Foundation of China[81473344] ; National Natural Science Foundation of China[81503240] ; National Science and Technology Major Project for Major Drug Development[2014ZX09304-307-001-007]
WOS关键词	CHINESE PATENT MEDICINES ; CARTHAMUS-TINCTORIUS L. ; PANAX-NOTOGINSENG ; TRITERPENOID SAPONINS ; COLUMN CHROMATOGRAPHY ; EFFICIENT DISCOVERY ; NATURAL COMPOUNDS ; IDENTIFICATION ; GINSENOSIDES ; GINSENG
WOS研究方向	Chemistry ; Pharmacology & Pharmacy
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000381591900039
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/275898]
专题	上海中药现代化研究中心
通讯作者	Wu, Wanying
作者单位	1.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai Res Ctr Modernizat Tradit Chinese Med, Natl Engn Lab TCM Standardizat Technol, 501 Haike Rd, Shanghai 201203, Peoples R China; 2.Guangxi Wuzhou Pharmaceut Grp Co Ltd, Wuzhou 543000, Peoples R China
推荐引用方式 GB/T 7714	Yang, Wenzhi,Zhang, Jingxian,Yao, Changliang,et al. Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection[J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,2016,128:322-332.
APA	Yang, Wenzhi.,Zhang, Jingxian.,Yao, Changliang.,Qiu, Shi.,Chen, Ming.,...&Guo, Dean.(2016).Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection.JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,128,322-332.
MLA	Yang, Wenzhi,et al."Method development and application of offline two-dimensional liquid chromatography/quadrupole time-of-flight mass spectrometry-fast data directed analysis for comprehensive characterization of the saponins from Xueshuantong Injection".JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 128(2016):322-332.