Characterization of Chemical Constituents in Tianma Xingnao Capsule Using Ultra‐High Performance Liquid Chromatography Coupled With Quadrupole Time‐of‐Flight Mass Spectrometry

In China, traditional Chinese medicine is often used as a dietary supplement for emergency treatment. In order meet the needs of patients, different regions have different methods. From chemistry consists to reasonable compatibilities, it has showed strong professional operation. Tianma Xingnao Capsule has been used for headache, dizziness, decreased memory, and slow reaction, yet its chemical profile remains unclear. This study innovatively integrates UHPLC-Q-TOF-MS technology with UNIFI informatics platform and multi-database (TCMSP, PubChem, ChemicalBook, ChemSpider, Chemsrc) to establish the first comprehensive chemical profile of this formulation. A total of 144 compounds were provisionally characterized based on retention time, exact mass, and mass spectra data, in conjunction with reference substances and related literature, including 26 phenylethanoid glycosides, 27 oligosaccharide esters, 22 flavonoids (15 xanthones), 12 organic acids, 11 triterpenoid saponins, 10 iridoids, 9 phenols and phenolic glycosides, 7 phenylpropanoids, 6 saccharides, 5 nucleosides, 2 amino acids, and 7 others. The proposed compound-specific fragmentation pathways and establishment of a mass spectral library have made contributions to the standardization of traditional Chinese medicine. The results of this study will provide a reference for elucidating the material basis for Tianma Xingnao Capsule's therapeutic effects and quality control of its active pharmaceutical ingredients.