Advances in high-resolution mass spectrometric-based data-mining technologies for detecting and characterizing the components and metabolites of Chinese materia medica
10.16438/j.0513-4870.2020-1385
- VernacularTitle:高分辨质谱数据处理策略在中药体内外成分检测和表征中的应用进展
- Author:
Jie LIU
1
,
2
;
Yue-ting LI
3
,
4
;
Yi-jun CHEN
3
,
5
;
Hong-bin XIAO
1
,
2
Author Information
1. Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China
2. Research Center for Chinese Medicine Analysis and Transformation, Beijing University of Chinese Medicine, Beijing 100029, China
3. Research Center for Chinese Medicine Analysis and Transformation, Beijing University of Chinese Medicine, Beijing 100029, China
4. School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing 100029, China
5. School of Traditional Chinese Medicine, Beijing University of Chinese Medicine, Beijing 100029, China
- Publication Type:Research Article
- Keywords:
Chinese materia medica;
high-resolution mass spectrometry;
ata mining strategy;
class compound;
total compounds;
metabolite
- From:
Acta Pharmaceutica Sinica
2021;56(1):113-129
- CountryChina
- Language:Chinese
-
Abstract:
Research on the material basis of Chinese materia medica (CMM) is the basis for modernization of CMM. High-resolution mass spectrometry (HRMS) has become a powerful tool for the qualitative analysis of the components of CMM. Some data-mining strategies based on high-resolution mass spectrometry, such as full-information tandem mass spectrometry scanning acquisition strategy, sequential windowed acquisition of all theoretical fragment ions, mass detect filter, characteristic ion filter, mass spectral tree similarity filter, etc. have greatly promoted the elucidation of the qualitative basis of CMM. In order to provide methods for the rapid discovery and structural characterization of components and metabolites of CMM, this review summarized the advances in HRMS-based data-mining technologies for detecting and characterizing the compounds and metabolites of CMM, which includes class compounds, all compounds and metabolites.
