Abstract: Objective To analyze and identify the chemical constituents of Jiawei Xiaoyao pills with high performance liquid chromatography-quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS^E) so as to provide data for quality control of the compound. Methods The ACQUITY UPLC BEH C18 column (2.1×100 mm, 1.7 μm, Waters) was used with 0.1% formic acid water-acetonitrile as the mobile phase. The injection volume was 5 μL, the flow rate 0.3 mL·min^-1, and the column temperature 40℃. Electrospray ionization (ESI) ion source was used for compound mass spectrometry detection and analysis in positive and negative modes. Structural confirmation was accomplished based on data on mass spectrometry collected from the UNIFI platform in the MS^E mode in combination with compound excimer ions, mass spectrum cleavage pathway and reference substance. Results A total of 78 chemical components were identified by analyzing the molecular ion peaks and secondary mass spectrometry characteristic fragment ions of the target compound, and according to the cracking of reference substances and related literature. There were 3 sesquiterpenoids, 4 phenylpropanoids, 13 monoterpenoids, 7 phenols, 5 iridoids, 10 flavonoids, 23 triterpenoids and 13 other compounds. Conclusion UPLC-Q-TOF-MS^E technology can be used to quickly analyze and identify the main compound types of compound Jiawei Xiaoyao pills, which can provide data for quality control of the compound and for subsequent studies on the substance basis of pharmacodynamics.

Key words: Jiawei Xiaoyao pill, UPLC-Q-TOF-MS^E, chemical composition, UNIFI platform