Knowledge Network Node
Journal of Chinese Mass Spectrometry Society. 2017, (01) Core

Characterization of Morinda officinalis How. by UPLC-Q-TOF MSE Coupled with UNIFI Database FilterChinese Full TextEnglish Full Text (MT)

WANG Mei-ling;ZHANG Qing-qing;FU Shuang;LIU Yue-hong;LIANG Chuan-lei;CHEN Na;DING Yong-sheng;WANG Hai-li;QU Xiao-mei;ZHAO Bao-sheng;GAO Xiao-yan;School of Chinese Materia Medica,Beijing University of Chinese Medicine;Academy of Traditional Chinese Medicine,Beijing University of Chinese Medicine;

Abstract: Liquid chromatography coupled with high resolution mass spectrometry（LCHRMS）was widely used for the identification of components from traditional Chinese medicine（TCM）,but the characterization of the unknown compounds was still a great challenge currently.Therefore,there is an urgent need to establish a strategy for rapid and comprehensive identification of chemical ingredients in TCMs.In this study,a mul-tiple ingredients identification strategy was proposed based on the UPLC-Q-TOF MSE coupled with the UNIFI informatics platform.This method includes three steps:the first step was to set up an in-house library based on the literature to complement the UNIFI database.The second step was to screen and verify the known ingredients from raw data.The peaks were screened preliminarily by UNIFI TM platform based on the in-house database.For the known compounds,based on the accurate mass,fragment ions,neutral losses,retention behaviors,reference standards,previous reports,the compounds were validated furtherly.The last step was to identify or characterize the chemical structures of the potential novel components with similar MS fragmentation pattern of the identified ingredients.The possible molecular formula was obtained by the accurate mass.The candidate compounds were obtained by the online database possible structure was verified by "Fragment match"function and characteristic fragments.This strategy was successfully applied to identify and deduct components of Morinda officinalis How..A total of 110 chemical components are identified from Morinda officinalis How.,including 8oligosaccharides,12 iridoids,58anthraquinones and 32 other compounds.8components are tentatively characterized,including 5iridoids,2glycosides compounds and 1organic acid.Four of them are potential new compounds,the other components are found in Morinda officinalis How.for the first time.This study provides an efficient data processing strategy to rapidly profile the chemical constituents of complicated herbal extracts.
Keywords：

UPLC/Q-TOF MSE; UNIFI database; Morinda officinalis How.; quick identification; characterization;

  • Series：

    (B) Chemistry/ Metallurgy/ Environment/ Mine Industry; (E) Medicine ＆ Public Health

  • Subject：

    Chemistry; Traditional Chinese Medicinal Herbs

  • Classification Code：

    R284.1;O657.63

Download the mobile appuse the app to scan this coderead the article.

Tips: Please download CAJViewer to view CAJ format full text.

Download: 1612 Page: 75-82 Pagecount: 8 Size: 328K

Related Literature
  • Similar Article
  • Reader Recommendation
  • Associated Author