[UPLC-Q-TOF-MS reveals pharmacodynamic substances in Longxuejie Capsules and metabolites in rats].

Ultra-high performance liquid chromatography with quadrupole time-of-flight mass spectrometry(UPLC-Q-TOF-MS), UNIFI software, and a self-built compound library of Longxuejie Capsules were employed to analyze the pharmacodynamic substances of Longxuejie Capsules and the metabolites in rats. The methanol extracts of capsule contents as well as the plasma, urine, and fecal metabolites of rats after drug administration were prepared. Data were collected in both positive and negative MS~E Continuum scan modes via UPLC-Q-TOF-MS. Based on the retention time, accurate molecular ion peaks, MS/MS data, reference standards, and data from available articles, a total of 147 compounds were identified from Longxuejie Capsules, including 13 flavonoids, 15 dihydrochalcones, 75 flavonoid dimers, 12 homoisoflavanones, and 32 other compounds. Moreover, 17, 7, and 41 prototype components were identified in the plasma, urine, and feces, respectively, of rats after oral administration. The present study is the first to characterize the pharmacodynamic substances of Longxuejie Capsules and the drug metabolites in rats, providing a basis for the research on the pharmacodynamic substances and quality control systems of Longxuejie Capsules and the development of relevant drugs.