Software-aided efficient identification of the components of compound formulae and their metabolites in rats by UHPLC/IM-QTOF-MS and an in-house high-definition MS2 library: Sishen formula as a case

Identifying the compound formulae-related xenobiotics in bio-samples is full of challenges. Conventional strategies always exhibit the insufficiencies in overall coverage, analytical efficiency, and degree of automation, and the results highly rely on the personal knowledge and experience. The goal...

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Bibliographic Details

Published in:	Journal of Pharmaceutical Analysis
Main Authors:	Lili Hong, Wei Wang, Shiyu Wang, Wandi Hu, Yuyang Sha, Xiaoyan Xu, Xiaoying Wang, Kefeng Li, Hongda Wang, Xiumei Gao, De-an Guo, Wenzhi Yang
Format:	Article
Language:	English
Published:	Elsevier 2024-10-01
Subjects:	Ultra-high performance liquid chromatography/ion-mobility quadrupole time-of-flight mass spectrometry (UHPLC/IM-QTOF-MS) Hybrid scan High-definition MS2 spectral library Sishen formula
Online Access:	http://www.sciencedirect.com/science/article/pii/S2095177924000911