Comprehensive multicomponent characterization and fingerprinting analysis of Lanqin Oral Liquid by ultra‐high‐performance liquid chromatography coupled with ion mobility‐quadrupole time‐of‐flight mass spectrometry

Comprehensive characterization of the chemical constituents of Chinese patent medicine poses a great challenge due to the frustrating complexity resulting from superposition of multiple drugs. Lanqin Oral Liquid is a five-component Chinese patent medicine widely applied to treat pharyngeal inflammation in clinic. Here, we streamline a universal three-dimensional separation approach to efficiently identify the multicomponents from Lanqin Oral Liquid by ultra-high-performance liquid chromatography/ion mobility quadrupole time-of-flight mass spectrometry and UNIFI/in-house library-driven automatic peak annotation. Because of the systematic optimization, the use of an HSS T3 column enabled good separation of the multiple components within 42 min, while high-definition MSE in both the negative and positive modes could characterize more classes of herbal components, thus providing the retention, collision cross-section, and MS information for each component. Benefiting from the ion mobility separation, cleaner MS1 and MS2 spectra were acquired. Aided by comparison and analysis of the fragmentation pathways of 49 reference compounds, we could characterize 175 compounds from Lanqin Oral Liquid. A validated high-performance liquid chromatography fingerprinting approach unveiled good similarity (0.985-1.000) among 22 batches of commercial samples. Conclusively, we demonstrated a practical solution to elucidating the chemical composition of Chinese patent medicines, with the potential of popularization.