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.