Development of a UHPLC-MS/MS-based data-mining method for rapid profiling and characterization of magnolol metabolites in rat urine and plasma

Ma, Beibei; Lou, Tian-Yu; Wang, Tingting; Li, Ruiji; Liu, Jinhui; Yu, Shangyue; Pei, Hailuan; Tian, Shiqiu; Li, Yilin; Guo, Yating; Wang, Zijian; Lin, Zhaozhou; Wang, Zhibin; Wang, Jing; Gao, Yingying

doi:10.1016/j.arabjc.2020.102954

Cited by 3 publications

(2 citation statements)

References 29 publications

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“…Based on the cleavage rule of reference standards and related literature [14–18], the lignans can eliminate small neutral fragments such as H 2 O (18 Da), H 2 (2 Da), CO (28 Da), and/or their combinations. The characterization of lignans in YWD was concluded by referring to these fragmentation mechanisms.…”

Section: Resultsmentioning

confidence: 99%

“…As a result, magnolol and honokiol show different characteristic fragmentation pathways based on a highresolution mass spectrum. Here, magnolol and honokiol were selected to illustrate the fragmentation mechanisms using Q-TOF-MS. Based on the cleavage rule of reference standards and related literature [14][15][16][17][18], the lignans can eliminate small neutral fragments such as H 2 O (18 Da), H 2 (2 Da), CO (28 Da), and/or their combinations. The characterization of lignans in YWD was concluded by referring to these fragmentation mechanisms.…”

Section: Characterization Of Lignans In Ywdmentioning

confidence: 99%

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Comprehensive characterization and identification of chemical constituents in Yangwei decoction using ultra high performance liquid chromatography coupled with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry

Fan

Tian

et al. 2022

J of Separation Science

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Yangwei decoction, a classical traditional Chinese medicine prescription, has been widely used to treat exogenous cold and internal injury with damp stagnation for many centuries. However, its systematic chemical profiling remains ambiguous, which has hampered the interpretation of pharmacology and the mechanism of its formula. In the present study, ultra‐performance liquid chromatography coupled with electrospray ionization quadrupole time‐of‐flight tandem mass spectrometry method was successfully established for the first time to separate and identify the complicated components of Yangwei decoction. The accurate mass data of the protonated molecules, deprotonated molecules, and fragment ions were detected in positive and negative ion modes. A total of 226 compounds in Yangwei decoction were tentatively identified and unambiguously characterized by comparing their retention times and mass spectrometry data with those of reference standards and literature, including 24 lignans, 18 alkaloids, 9 phenylpropanoid glycosides, 76 flavonoids, 59 triterpenoids, 17 organic acids, 7 gingerols, 8 lactones, and 8 other compounds. The present study provides a novel method of constituents characterization for well‐known Chinese medicine prescriptions. The study aims to lay a robust foundation for future research, providing the holistic quality control and pharmacology of Yangwei decoction.

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Section: Resultsmentioning

confidence: 99%