Rapid profiling of polymeric phenolic acids in Salvia miltiorrhiza by hybrid data-dependent/targeted multistage mass spectrometry acquisition based on expected compounds prediction and fragment ion searching

doi:10.1002/jssc.201701134

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	Rapid profiling of polymeric phenolic acids in Salvia miltiorrhiza by hybrid data-dependent/targeted multistage mass spectrometry acquisition based on expected compounds prediction and fragment ion searching
	Shen, Yao 1; Feng, Zijin 1; Yang, Min 1; Zhou, Zhe 2; Han, Sumei 1; Hou, Jinjun1 ; Li, Zhenwei 1; Wu, Wanying1 ; Guo, De-an1
刊名	JOURNAL OF SEPARATION SCIENCE
	2018-04
卷号	41 期号:8 页码:1888-1895
关键词	data dependent acquisition expected compounds prediction parent list polymeric phenolic acids traditional Chinese medicine
ISSN号	1615-9306
DOI	10.1002/jssc.201701134
文献子类	Article
英文摘要	Phenolic acids are the major water-soluble components in Salvia miltiorrhiza (>5%). According to previous studies, many of them contribute to the cardiovascular effects and antioxidant effects of S. miltiorrhiza. Polymeric phenolic acids can be considered as the tanshinol derived metabolites, e.g., dimmers, trimers, and tetramers. A strategy combined with tanshinol-based expected compounds prediction, total ion chromatogram filtering, fragment ion searching, and parent list-based multistage mass spectrometry acquisition by linear trap quadropole-orbitrap Velos mass spectrometry was proposed to rapid profile polymeric phenolic acids in S. miltiorrhiza. More than 480 potential polymeric phenolic acids could be screened out by this strategy. Based on the fragment information obtained by parent list-activated data dependent multi-stage mass spectrometry acquisition, 190 polymeric phenolic acids were characterized by comparing their mass information with literature data, and 18 of them were firstly detected from S. miltiorrhiza. Seven potential compounds were tentatively characterized as new polymeric phenolic acids from S. miltiorrhiza. This strategy facilitates identification of polymeric phenolic acids in complex matrix with both selectivity and sensitivity, which could be expanded for rapid discovery and identification of compounds from complex matrix.
资助项目	National Natural Science Foundation of China[81530095] ; National Standardization of Traditional Chinese Medicine Project[ZYBZH-C-SH-49]
WOS关键词	CHINESE MEDICINAL PREPARATIONS ; TRAP-ORBITRAP MASS ; LIQUID-CHROMATOGRAPHY ; HPLC-DAD ; IDENTIFICATION ; ROOTS ; CONSTITUENTS ; DANSHEN ; STRATEGY ; EXTRACT
WOS研究方向	Chemistry
语种	英语
出版者	WILEY-V C H VERLAG GMBH
WOS记录号	WOS:000430673600021
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/279824]
专题	上海中药现代化研究中心
通讯作者	Wu, Wanying; 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, Haike Rd 501, Shanghai 201203, Peoples R China; 2.Thermo Fisher Sci China Co Ltd, Shanghai, Peoples R China
推荐引用方式 GB/T 7714	Shen, Yao,Feng, Zijin,Yang, Min,et al. Rapid profiling of polymeric phenolic acids in Salvia miltiorrhiza by hybrid data-dependent/targeted multistage mass spectrometry acquisition based on expected compounds prediction and fragment ion searching[J]. JOURNAL OF SEPARATION SCIENCE,2018,41(8):1888-1895.
APA	Shen, Yao.,Feng, Zijin.,Yang, Min.,Zhou, Zhe.,Han, Sumei.,...&Guo, De-an.(2018).Rapid profiling of polymeric phenolic acids in Salvia miltiorrhiza by hybrid data-dependent/targeted multistage mass spectrometry acquisition based on expected compounds prediction and fragment ion searching.JOURNAL OF SEPARATION SCIENCE,41(8),1888-1895.
MLA	Shen, Yao,et al."Rapid profiling of polymeric phenolic acids in Salvia miltiorrhiza by hybrid data-dependent/targeted multistage mass spectrometry acquisition based on expected compounds prediction and fragment ion searching".JOURNAL OF SEPARATION SCIENCE 41.8(2018):1888-1895.