Systematic Characterization of the Chemical Constituents In Vitro and In Vivo of Angelicae Dahuricae Radix‐Puerariae Lobatae Radix Herb Pair by UPLC‐Orbitrap‐MS/MS

RATIONALE: Migraine is a neurological disorder characterized by recurrent headache attacks. Angelicae Dahuricae Radix (ADR) and Puerariae Lobatae Radix (PLR) constitute a traditional herb pair commonly used for the treatment of migraine. However, their chemical constituents and plasma-absorbed components have not been fully characterized. METHODS: Ultra-high-performance liquid chromatography coupled with Orbitrap tandem mass spectrometry (UPLC-Orbitrap-MS/MS), combined with a self-constructed compound database and Xcalibur software, was employed to systematically characterize the chemical constituents of the ADR-PLR herb pair and the absorbed components detected in rat plasma following intragastric administration. The MS/MS fragmentation pathways of representative compounds were also investigated. RESULTS: A total of 111 chemical constituents were characterized in the ADR-PLR herb pair, including 31 coumarins, 61 flavonoids and their glycosides, 9 organic acids, 5 other glycosides, and 5 other compounds. A total of 21 prototype components were detected in rat plasma, of which 8 were derived from ADR and 13 from PLR. CONCLUSIONS: This study systematically characterized the chemical constituents and plasma-absorbed prototype components of the ADR-PLR herb pair, providing a chemical basis for further investigation of its antimigraine mechanisms.