Analysis on Chemical Constituents of Chinese Materia Medica Formulation Sini Decoction by HPLC-DAD-MS/MS

Objectives To develop a high-performance liquid chromatography(HPLC) tandem mass spectrometry method for screening and identifying the multiple constituents in the complex Chinese materia medica(CMM) formulation Sini Decoction. Methods The chemical constituents in Sini prescription as an entirety were isolated and analyzed by HPLC coupled with electrospray ionization ion-trap mass spectrometry(ESI-IT-MS) in order to clarify the chemical components of Sini Decoction and explore the chemical methods of studying CMM prescriptions. Results Twenty-five compounds were isolated from the water extract of this decoction. Through chemical and spectral analyses, the structures of 20 compounds were elucidated, including 15 flavonoids, one triterpene, two coumarins, and two other types of compounds. By using HPLC-DAD-MS n technique, the MS n cleavage behaviors of the flavonoids have been summarized as well as the origin of the isolated compounds was assigned. Conclusion The phytochemical compositon of Sini prescription is tentatively characterized by HPLC-DAD-ESI-IT-MS n. The results of the experiments demonstrate that the combination of HPLC and ESI-MS n is a sensitive and effective tool for rapidly investigating the complex CMM formulations.