Characterization of constituents in Sini decoction and rat plasma by high-performance liquid chromatography with diode array detection coupled to time-of-flight mass spectrometry.

A high-performance liquid chromatography with diode-array detection coupled to time-of-flight mass spectrometry (HPLC/DAD/TOFMS) method was established to clarify the chemical composition of Sini decoction (SND) and rat plasma after oral administration of SND. With dynamic adjustment of fragmentor voltage in TOFMS, an efficient transmission of the ions was achieved to obtain the best sensitivity for providing the molecular formula for each analyte and abundant fragment ions for structural information. By accurate mass measurements within 5 ppm error for each molecular ion and subsequent fragment ions, 53 compounds including diterpenoid alkaloids, flavonoids, triterpenoids and gingerol-related compounds were identified in SND. Major compounds identified from SND were further assigned in the three individual herbs. After oral administration of SND, 33 compounds and five metabolites in rat plasma were detected and identified by comparing and contrasting the compounds measured in SND with those in the plasma samples by HPLC/DAD/TOFMS. The results provided helpful chemical information for further pharmacology and active mechanism research on SND.