An integrated annotation strategy for the phytochemical characterization of Xie-Bai-San decoction based on UPLC-Q Exactive Orbitrap HRMS, multi-database screening, and feature-based molecular networking

IntroductionCharacterizing plant-derived compounds in complex botanical formulations remains challenging because of matrix complexity, structurally related analogues, and frequent isomerism. Xie-Bai-San decoction (XBSD), a traditional herbal formula composed of Cortex Mori, Cortex Lycii, and Radix et Rhizoma Glycyrrhizae, represents a complex botanical system requiring comprehensive phytochemical characterization.MethodsAn integrated phytochemical annotation strategy was developed using UPLC-Q E