Comprehensive Strategy Analysis of Chemical Constituents of Xiaoliu Powder Based on GC-MS and UPLC-Q-Exactive Orbitrap MS.

Few studies on Xiaoliu Powder (XLP) have been reported; it is necessary to clarify the material basis of XLP to lay a foundation for further clarifying its mechanism of action and supporting rational drug use. This study aims to comprehensively analyze the chemical constituents of XLP by GC-MS and UPLC-Q-Exactive Orbitrap MS, with the aim of identifying its volatile and nonvolatile components and providing insights into its pharmacological properties. Volatile components were extracted and analyzed by GC-MS, and 37 compounds were detected, accounting for 72.58% of the total peak area. Aldehydes were found to be the predominant group, followed by alkenes, esters, and phenolic compounds. Nonvolatile components were identified through UPLC-Q-Exactive Orbitrap MS, leading to the detection of 126 compounds, including triterpenoids, flavonoids, phenylpropanoids, organic acids, and other classes of compounds. A total of 13 compounds were accurately identified by comparison with reference standards. The findings suggest that XLP contains a diverse range of bioactive compounds, which may contribute to its therapeutic effects. A comprehensive chemical profile of XLP has been established, providing a solid foundation for further research on its pharmacological mechanisms and clinical applications.