Rapid discovery and global characterization of multiple constituents from Kai-Xin-San using an integrated MSE data acquisition mode strategy based on ultra-performance liquid chromatography coupled to electrospray ionization/quadrupole-time-of-flight mass spectrometry

Kai-Xin-San (KXS) is a traditional Chinese medicine (TCM) formula consisting of four herbs, Ginseng Radix, Polygalae Radix, Poria and Acori Tatarinowii Rhizoma. KXS has been used to treat Alzheimer's disease and Parkinson's disease. In this study, a UPLC/QTOF MS system with automated MSE (E represents collision energy) data analysis software (MetaboLynx (TM)) was used to analyze and identify the chemical components of KXS. Mass spectrometry was performed in a full-spectrum (m/z 100-2000) mode using an MSE acquisition of both molecular and fragment ion data at low (10-30 eV) and ramped (30-50 eV) collision energies. With the use of this approach, a total of 107 compounds were identified from KXS; 32 compounds were from Ginseng Radix; 19 compounds were from Poria; 33 compounds were from Polygalae Radix; and 21 compounds were from Acori Tatarinowii Rhizoma. The developed method is fast, accurate and reliable due to its high resolution and high efficiency, a result of an integrated MSE data acquisition mode strategy based on UPLC/QTOF MS that is a powerful tool for global detection and identification of complex components in herbal prescriptions. The results provided helpful chemical information for further pharmacology and active mechanism research on KXS and other TCMs.