Shenling Baizhu Granule, a traditional Chinese medicine
prescription comprising Renshen, Gancao, and Shanyao, has been widely
consumed in China nowadays. However, its pharmacopoeia quality-marker
(Q-marker) has not been defined nowadays. The study thus used a novel
strategy, i.e., library-based ultra-high-performance liquid
chromatography-quadrupole-orbitrap mass spectrometry, to analyze its
lyophilized aqueous powder. The strategy has simultaneously and
putatively 77 compounds; Especially, 32 isomeric compounds have been
strictly distinguished, including ferulic acid and isoferulic acid;
liquiritigenin and isoliquiritigenin; 3,4-dicaffeoylquinic acid and
4,5-dicaffeoylquinic acid; schaftoside and isoschaftoside; ginsenoside
Re and ginsenoside Rd; ginsenoside Rc and ginsenoside Rb2; daidzein and
7,4’-dihydroxyflavone; luteolin and kaempferol; butin and
S-naringenin; calycosin and prunetin; isovitexin and cosmosiin;
orientin and quercitrin; costunolide and alantolactone;
2’-hydroxydaidzein, genistein, and apigenin; ginsenoside Rg2,
20R-ginsenoside Rg3, and 20S-ginsenoside Rg3. In addition,
45 non-isomeric compounds have been also putatively identified.
Combining with the quantum chemistry calculation and UV-vis spectra
scanning results, 4 compounds are recommended as pharmacopoeia Q-marker
candidates, including glycyrrhizic acid, ginsenoside Re, ginsenoside
Rb1, and diosgenin. The four can be used to qualitatively assess the
materials of Renshen, Gancao, and Shanyao, to prevent possible
adulterant.