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Screening and characterization of xenobiotics in rat bio-samples after oral administration of Shen-Wu-Yi-Shen tablet using UPLC-Q-TOF-MS/MS combined with a targeted and non-targeted strategy by Yudan Mei; Xueni Zhang; Yumei Hu; Xiaoyu Tong; Wenjun Liu; Xialin Chen; Liang Cao; Zhenzhong Wang; Wei Xiao is a Chemistry article available to read on EtoBox.

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Shen-Wu-Yi-Shen tablet (SWYST), a well-known traditional Chinese medicine prescription (TCMP), has been effectively used for treating chronic kidney disease (CKD) in clinically. However, an in-depth study of in vivo metabolism of SWYST is lacking. In this study, a targeted and non-targeted strategy based on ultra-performance liquid chromatography coupled with quadrupole time-of-flight tandem mass spectrometry (UPLC-Q-TOF-MS/MS) was developed to screen and characterize SWYST-related xenobiotics in rats. Based on the in-house library, a chemical database of SWYST including 215 constituents was constructed through “find by formula” and further verified by characteristic fragmentations or the literatures. Then the constructed chemical database was applied for the targeted screening of prototypes. As for metabolites, the non-targeted screening was achieved combined the peak picking using the function “find by auto-MS/MS” and peak filtration of the prototypes and endogenous components, while the targeted screening was performed using Metabolite ID according to the possible metabolic reactions. Furthermore, the potential metabolites were preliminarily identified by comparison of the paren

Who reads Screening and characterization of xenobiotics in rat bio-samples after oral administration of Shen-Wu-Yi-Shen tablet using UPLC-Q-TOF-MS/MS combined with a targeted and non-targeted strategy?

Author

Yudan Mei; Xueni Zhang; Yumei Hu; Xiaoyu Tong; Wenjun Liu; Xialin Chen; Liang Cao; Zhenzhong Wang; Wei Xiao

Publisher

Elsevier BV

Published

2023

Language

EN

Field

Chemistry (Physical Sciences)