Proposing anti‐counterfeiting pharmacopoeia quality markers for Shenlingbaizhu granule based on UHPLC‐Q‐orbitrap‐MS identification

Abstract

AbstractIntroductionShenlingbaizhu granule, a Traditional Chinese Medicine prescription comprising Renshen, Gancao, and Shanyao, is widely consumed in China nowadays.ObjectiveThe study tries to propose pharmacopoeia quality markers (Q‐markers) to prevent counterfeiting involving Renshen, Gancao, and Shanyao.MethodologyA novel strategy, that is, library‐based ultra‐high‐performance liquid chromatography–quadrupole‐orbitrap mass spectrometry, was used to analyse the lyophilised aqueous powder of Shenlingbaizhu granule. Subsequently, quantum chemistry calculation and UV‐vis spectra scanning were also performed through theoretical or experimental approaches.ResultThirty‐two isomers have been strictly distinguished, especially positional isomeric isochlorogenic acid B versus isochlorogenic acid C, positional isomeric schaftoside versus isoschaftoside, positional isomeric ginsenoside Rg2 versus 20S‐ginsenoside Rg3, and stereoisomeric 20S‐ginsenoside Rg3 versus 20R‐ginsenoside Rg3. Seventeen compounds were unexpectedly observed, particularly scoparone and pectolinarigenin, while a total of 76 bioactive compounds have been putatively identified in the study. The quantum chemistry calculation and UV‐vis spectra scanning results revealed that glycyrrhizic acid, ginsenoside Re, ginsenoside Rb1, and diosgenin displayed different dipole moment values and maximum absorption wavelengths from each other.ConclusionThe study recommends glycyrrhizic acid, ginsenoside Re, ginsenoside Rb1, and diosgenin as four anti‐counterfeiting Q‐markers for the pharmacopoeia. The anti‐counterfeiting Q‐markers can be detected using conventional HPLC. The observation of 17 unexpected compounds updates our knowledge regarding the bioactives of Shenlingbaizhu granule.