中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
首页 机构 成果 学者
  
  1. CAS IR Grid
  2. 上海药物研究所
  3. 中国科学院上海药物研究所
  4. 上海中药现代化研究中心
An in-source multiple collision-neutral loss filtering based nontargeted metabolomics approach for the comprehensive analysis of malonyl-ginsenosides from Panax ginseng, P-quinquefolius, and P-notoginseng

文献类型：期刊论文

作者Shi, Xiao-jian1,2; Yang, Wen-zhi2; Qiu, Shi2; Yao, Chang-liang2; Shen, Yao2; Pan, Hui-qin2; Bi, Qi-rui1,2; Yang, Min2; Wu, Wan-ying2; Guo, De-an1,2
刊名ANALYTICA CHIMICA ACTA
出版日期2017-02-01
卷号952页码:59-70
关键词In-source multiple collision-neutral loss filtering Improved nontargeted metabolomics Malonyl-ginsenoside Panax Chemical marker
ISSN号0003-2670
DOI10.1016/j.aca.2016.11.032
文献子类Article
英文摘要The simultaneous identification and quantification of target metabolites from herbal medicines are difficult to implement by the full-scan MS based nontargeted metabolomics approaches. Here an in source multiple collision-neutral loss filtering (IMC-NLF) based nontargeted metabolomics approach is developed and applied to identify and quantify the variations of malonyl-ginsenosides, a common group of acyl saponins with potential anti-diabetic activity, among Panax ginseng, P. quinquefolius, and P. notoginseng. The key steps of the IMC-NLF strategy are the acquisition of specific high-resolution neutral loss data and the efficient filtering of target precursor ions from the full-scan spectra. Using a hybrid LTQ-Orbitrap mass spectrometer after UHPLC separation, abundant in-source product ions, [M-HCO2]- (due to the vulnerability of the carboxyl group) and [M -H-Mal.], were generated at the energies of 70 V and 90 V, respectively. After spectral deconvolution, the generated peak list was screened by dual NLF using a Neutral Loss MS Finder software (NL of 43.9898 Da for CO2 and 86.0004 Da for the malonyl substituent). By combining the precursor ions list-triggered HCD-MS/MS and basic hydrolysis, a total of 101 malonyl-ginsenosides (including 69 from P. ginseng, 52 from P. quinquefolius, and 44 from P. notoginseng) were identified or tentatively characterized. The variations of 81 characterized malonylginsenosides among 45 batches of Ginseng samples were statistically analyzed disclosing ten potential markers. It is the first systematic analysis of malonyl-ginsenosides. The IMC-NLF approach by a single analytical platform is promising in targeted analyses of modification-specific metabolites "in metabolomics and drug metabolism. (C) 2016 Elsevier B.V. All rights reserved.
WOS关键词LIQUID CHROMATOGRAPHY/MASS SPECTROMETRY ; FLIGHT MASS-SPECTROMETRY ; BIOMARKER DISCOVERY ; TRITERPENE OLIGOGLYCOSIDES ; CARDIOVASCULAR-DISEASES ; COLUMN CHROMATOGRAPHY ; EFFICIENT DISCOVERY ; NATURAL COMPOUNDS ; FLOWER BUDS ; SAPONINS
资助项目National Natural Science Foundation of China[81473344] ; National Natural Science Foundation of China[81503240]
WOS研究方向Chemistry
语种英语
WOS记录号WOS:000393255400007
出版者ELSEVIER SCIENCE BV
源URL[http://119.78.100.183/handle/2S10ELR8/275655]  
专题上海中药现代化研究中心
通讯作者Wu, Wan-ying; Guo, De-an
作者单位1.China Pharmaceut Univ, Coll Tradit Chinese Med, Nanjing 210009, Jiangsu, Peoples R China;
2.Chinese Acad Sci, Shanghai Res Ctr Modernizat Tradit Chinese Med, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Haike Rd 501, Shanghai 201203, Peoples R China
推荐引用方式
GB/T 7714		 Shi, Xiao-jian,Yang, Wen-zhi,Qiu, Shi,et al. An in-source multiple collision-neutral loss filtering based nontargeted metabolomics approach for the comprehensive analysis of malonyl-ginsenosides from Panax ginseng, P-quinquefolius, and P-notoginseng[J]. ANALYTICA CHIMICA ACTA,2017,952:59-70.
APA Shi, Xiao-jian.,Yang, Wen-zhi.,Qiu, Shi.,Yao, Chang-liang.,Shen, Yao.,...&Guo, De-an.(2017).An in-source multiple collision-neutral loss filtering based nontargeted metabolomics approach for the comprehensive analysis of malonyl-ginsenosides from Panax ginseng, P-quinquefolius, and P-notoginseng.ANALYTICA CHIMICA ACTA,952,59-70.
MLA Shi, Xiao-jian,et al."An in-source multiple collision-neutral loss filtering based nontargeted metabolomics approach for the comprehensive analysis of malonyl-ginsenosides from Panax ginseng, P-quinquefolius, and P-notoginseng".ANALYTICA CHIMICA ACTA 952(2017):59-70.

入库方式： OAI收割

来源：上海药物研究所

浏览0
下载0
收藏0
其他版本

除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。