Development and challenges of mass spectrometry database for traditional Chinese medicine: A review

作者：Yijun Wang, Zhiming Yang, Jason Wu, Xiaoli Ma, Li Zhou, Xiang Li, Baiping Ma, Zi‐Dong Qiu, Liping Kang · 发表于：Science of Traditional Chinese Medicine · 年份：2025 · DOI：10.1097/st9.0000000000000082 · 被引用次数：7 · 研究领域：Metabolomics and Mass Spectrometry Studies、Traditional Chinese Medicine Analysis、Traditional Chinese Medicine Studies

Accurate characterization of the chemical composition of complex traditional Chinese medicine (TCM) is an essential foundation for the modern scientific interpretation of TCM principles. Mass spectrometry is the most dominant technique in current research on the material basis of TCM, offering the highest sensitivity and the richest information provision. Establishing mass spectrometry databases represents the most effective approach to facilitating the structural analysis of TCM chemical components. This paper systematically searches and reviews literature published from January 2005 to January 2025 through online databases such as China National Knowledge Infrastructure, PubMed, and Web of Science, using “mass spectrometry database” and “traditional Chinese medicine” as keywords. It reviews the current status of seven TCM chemical component mass spectrometry databases and seven natural product mass spectrometry databases. The key advancements of these mass spectrometry databases for natural products are summarized, detailing their characteristics, search methodologies, included information, and data sources. Additionally, challenges related to data quality, standardization, timely updates, database interaction, retrieval functionality, and data sharing and security are discussed in depth. Furthermore, the paper explores prospective development directions for TCM mass spectrometry databases, emphasizing the importance of open data sharing, technological innovation, and data ...