Rapid Classification and Identification of Chemical Components of Biejiajian Pill Using Ultra-High-Performanc Liquid Chromatography Coupled with Hybrid Quadrupole-Orbitrap Mass Spectrometry

Abstract

Objective: The objective of this study was to establish a systematic method for rapidly classifying and recognizing the chemical constituents of Biejiajian pill (BJJP) for safety in clinical applications. Materials and Methods: Ultra-high-performance liquid chromatography coupled with hybrid quadrupole-Orbitrap mass spectrometry (MS) was used for chemical profiling and identification of BJJP components. The chromatographic effluents were detected by MS in positive and negative ion modes. Results: A total of 217 compounds were structurally identified by deducing the mass fragmentation patterns and comparing with reference compounds and data reported in the literature, including 84 flavonoids, 49 phenolic constituents, 30 terpenoids, 24 triterpenoids, 7 alkaloids, 6 anthraquinones, and 17 other compounds. Conclusions: The established method can rapidly identify and analyze the chemical components of BJJP, laying the foundation for further analysis of active compounds, quality control, and metabolite fingerprinting.