Systematic Characterization of the Chemical Constituents of in Vitro and in Vivo of Astragali Radix‐Salvia miltiorrhiza Herb Pair by Ultra‐High‐Performance‐Liquid Chromatography‐Orbitrap Mass Spectrometry

ABSTRACT Rationale Astragali radix‐ Salvia miltiorrhiza (AR‐SM) is an herb pair with good therapeutic effects and is widely used. In this study, the in vitro and in vivo components of AR‐SM were quickly classified and identified based on UHPLC‐orbital mass spectrometry. This provided a basis for clarifying the bioactive substances after compatibility of AR and SM. Methods Firstly, the related literature of AR and SM were searched through PubMed and CNKI databases, and the molecular formula, retention time, mass spectrum fragments, and other information of its chemical components were sorted out to establish a component database. Extract, blank plasma and drug‐containing plasma were analyzed by UHPLC orbital mass spectrometry technology, and then the data were processed by Xcalibur software. Combined with databases and literature, the in vivo and in vitro components of AR‐SM were comprehensively analyzed. Results A total of 142 components were identified in the extract of AR‐SM. The cleavage patterns of flavonoids, terpenoids, phenolic acids, organic acids, saponins, and phenylpropanoids were summarized. Meanwhile, 89 compounds were tentatively identified in rat plasma, including 73 prototypes and 16 metabolites. The main metabolic pathways included oxidation, reduction, methylation, glucuronidation, and sulfation.