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

• Main Authors: Lili Hong (Author), Wei Wang (Author), Shiyu Wang (Author), Wandi Hu (Author), Yuyang Sha (Author), Xiaoyan Xu (Author), Xiaoying Wang (Author), Kefeng Li (Author), Hongda Wang (Author), Xiumei Gao (Author), De-an Guo (Author), Wenzhi Yang (Author)
• Format: Book
• Published: Elsevier, 2024-10-01T00:00:00Z.
• Subjects: article
• Online Access: Connect to this object online.

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...