Identification of Chemical Constituents and Metabolites of Shipi Powder In Vitro and In Vivo Based on Ultra‐High‐Performance Liquid Chromatography Coupled With Quadrupole Time‐of‐Flight Tandem Mass Spectrometry

ABSTRACT

Shipi powder (SPP) is a classical traditional Chinese medicine prescription used to warm yang, strengthen the spleen, promote qi movement, and eliminate retained fluid. It is widely used in the clinic for the treatment of edema caused by various conditions. However, the comprehensive and simultaneous characterization of the major constituents of SPP in vitro and in vivo has remained unclear, which has limited the identification of its active substances and its further clinical application. Therefore, in this study, a chemical composition database of SPP was established. An ultra‐high‐performance liquid chromatography coupled with quadrupole time‐of‐flight tandem mass spectrometry (UHPLC‐Q‐TOF‐MS) method was developed to characterize the constituents of SPP in vitro and in vivo. A total of 217 compounds were identified in vitro, including 57 alkaloids, 8 phenylpropanoid glycosides, 14 lignans, 41 flavonoids, 41 terpenoids, 15 gingerols, 7 lactones, 16 organic acids, and 18 other compounds. Meanwhile, 151 components were detected in vivo, including 93 prototype components and 58 metabolites, in rat plasma, bile, urine, and feces. In summary, this study systematically characterized the components of SPP in vitro and in vivo for the first time. These results provide a useful basis for identifying the pharmacodynamic substances of SPP and for guiding its clinical application.