Investigation and identification of the multiple components of Rheum officinale Baill. using ultra-high-performance liquid chromatography coupled with quadrupole-time-of-flight tandem mass spectrometry and data mining strategy

Abstract

Rheum officinale Baill. is a traditional Chinese medicine that has long been used for eliminating body heat, cooling and detoxifying blood, removing blood stasis and promoting menstruation, and clearing away heat-dampness to eliminate jaundice. Comprehensive and systematic structural identification of the components of Rheum officinale Baill. remains a challenge. An appropriate analytical method needs to be established for the comprehensive investigation and identification of the chemical constituents in Rheum officinale Baill. extract. In this study, a new systematic approach using ultra high performance liquid chromatography with quadrupole time-of-flight mass spectrometry in conjunction with a data mining strategy was developed to screen the targeted and nontargeted components of Rheum officinale Baill. A total of 124 compounds were identified in the Rheum officinale Baill. extract including 31 acylglucosides, 9 phenolic acids, 26 tannins, 53 anthraquinones, and 5 other compounds. Note that 55 of these compounds were reported for the first time here. In conclusion, in this study, we devised an efficient and systematic method for detecting complex compounds and have used it here to provide a foundation for future research into bioactive ingredients and quality control of Rheum officinale Baill. extract.

Keywords: chemical profiling,data mining strategy; mass spectrometry; quadrupole-time-of-flight; traditional Chinese medicine.