Rapid and comprehensive identification of chemical constituents in Mai-Luo-Shu-Tong pill by UHPLC-Q-Orbitrap HRMS combined with a data mining strategy

Abstract

Mai-Luo-Shu-Tong pill is an effective traditional Chinese medicine formula for the treatment of superficial thrombophlebitis, but it was insufficiently chemically scrutinized. In this study, the mass spectral data of Mai-Luo-Shu-Tong...

Gain deeper insights into traditional Chinese medicines using multidimensional chromatography combined with chemometric approaches

“…These examples highlight the crucial role of MS technology and related chemometric methods in the separation and identification of TCMs components. Notably, similar MS-processing methods (e.g., ionic isotopes optimization, fragment rules, and mass spectrum prediction) can also be applied to 2D-LC analyses ( Hong et al, 2020 , Zeng et al, 2023 , Zeng et al, 2021 , Zhang et al, 2022 ), and machine learning and other chemometric methods can indirectly improve component identification in 2D chromatography.…”