Comprehensive chemical profiling of a Botanical-Infused Chinese Fortified Wine (Guogong) via UHPLC-Q-exactive orbitrap MS and HS-GC-IMS

A traditional Botanical-Infused Chinese Fortified Wine-Guogong (BCFW) has a complex formula and diverse chemical composition. In this study, chemical profiling of BCFW was performed using UHPLC-Q-Exactive Orbitrap MS in both full-scan and complementary modes. A chemical database of BCFW was constructed from 30 botanical ingredients, with compounds identified through diagnostic ions and fragmentation patterns and further verified using literature sources. Headspace gas chromatography-ion mobility spectrometry (HS-GC-IMS) was employed to profile volatile organic compounds (VOCs) in both BCFW and base wine, and chemometric analysis revealed batch-to-batch variations. A total of 658 compounds were identified, including 590 non-volatile and 68 volatile constituents. HS-GC-IMS fingerprints revealed generally consistent VOC profiles across batches, with notable differences observed in S1, S7, and S10. This comprehensive chemical characterization of BCFW provides a valuable reference for quality assessment and control.