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Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry

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Acta Pharmaceutica Sinica B 2021年第6期11卷 1469-1492页

作者： Yang Yu Changliang Yao De-an Guo Shanghai Research Center for Modernization of Traditional Chinese Medicine National Engineering Laboratory for TCM Standardization TechnologyShanghai Institute of Materia MedicaChinese Academy of SciencesShanghai 201203China University of Chinese Academy of Sciences Beijing 100049China

Traditional Chinese medicine(TCM) has been an indispensable source of drugs for curing various human diseases.However,the inherent chemical diversity and complexity of TCM restricted the safety and efficacy of its usage.Over the past few decades,the combination of liquid chromatography with mass spectrometry has contributed greatly to the TCM qualitative analysis.And novel approaches have been continuously introduced to improve the analytical performance,including both the data acquisition methods to generate a large and informative dataset,and the data post-processing tools to extract the structure-related MS information.Furthermore,the fast-developing computer techniques and big data analytics have markedly enriched the data processing tools,bringing benefits of high efficiency and accuracy.To provide an up-to-date review of the latest techniques on the TCM qualitative analysis,multiple data-independent acquisition methods and data-dependent acquisition methods(precursor ion list,dynamic exclusion,mass tag,precursor ion scan,neutral loss scan,and multiple reaction monitoring)and post-processing techniques(mass defect filtering,diagnostic ion filtering,neutral loss filtering,mass spectral trees similarity filter,molecular networking,statistical analysis,database matching,etc.) were summarized and categorized.Applications of each technique and integrated analytical strategies were highlighted,discussion and future perspectives were proposed as well.

关键词： Liquid chromatography-mass spectrometry Qualitative analysis Traditional Chinese medicine data acquisition data post-processing

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