Untargeted Profiling of Shenfu Qiangxin Pills Based on High-Resolution Mass Spectrometry and Absolute Quantitation of Multiple Components Using Parallel Reaction Monitoring

Abstract

Shenfu Qiangxin (SFQX) pills are proprietary traditional Chinese medicine used for the treatment of chronic heart failure with significant clinical effects. However, the systematic identification and quantification of complexed components in SFQX have not been reported yet. In this work, a reliable and comprehensive method for a rapid identification of chemical components was developed by data dependent acquisition using ultra performance liquid chromatography coupled with high-resolution mass spectrometry (UHPLC-Q Exactive-Orbitrap-MS). A total of 104 compounds mainly including flavonoids, saponins, alkaloids, anthraquinones, coumarins, and phenolic acids were identified through database searching. The identified compounds were further ascribed to herb species in SFQX pills, such as Ginseng Radis et Rhizoma, Aconiti Lateralis Radix Praeparata (processed), Mori Cortex, Lepidii Semen, Rhei Radix et Rhizoma, and Polyporus. Thirty-two representative compounds were elaborated with cleavage pathways and characteristic fragments in MS/MS spectrum of commercially available standards. A quantification method based on parallel reaction monitoring technique was established, and absolute quantification of 28 components in SFQX pills was then carried out. This work constitutes a basis and methodological reference for the quality control, consistency evaluation, and standardization of similar proprietary Chinese medicines.