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CC BY 4.0 · Pharmaceutical Fronts 2022; 04(03): e162-e178
DOI: 10.1055/s-0042-1751315
Original Article

Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MS

Zi-Hui He
1   State Key Laboratory of New Drug and Pharmaceutical Process, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
,
Mo Liu
1   State Key Laboratory of New Drug and Pharmaceutical Process, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
,
Jun-Xuan Ren
1   State Key Laboratory of New Drug and Pharmaceutical Process, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
,
Dan-Wei Ouyang
1   State Key Laboratory of New Drug and Pharmaceutical Process, Shanghai Institute of Pharmaceutical Industry Co., Ltd., China State Institute of Pharmaceutical Industry, Shanghai, People's Republic of China
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Abstract

This study aims to identify the chemical components in Sophorae Fructus, and explore the mass spectrometric cleavage rules using the UPLC-Q-TOF-MS/MS method. The main characteristic fragments of the compounds were analyzed by electrospray ionization (ESI) ion source under positive and negative ion modes. The compounds were identified by molecular formula, multistage mass spectrometry, ultraviolet spectrum, and the fragmentation patterns of standards. A total of 142 compounds were identified, including 68 flavonoids, 39 saponins, 21 organic acids, and 14 others, of which 43 components were reported from Sophora for the first time. Moreover, the mass spectrometric fragmentation rules of some identified species components were deduced, which are helpful for the structural analysis of flavonoid and saponins. This method provides a reference for the rapid identification of chemical components and is conducive to further study the pharmacodynamic material basis and action mechanism of Sophorae Fructus.

Keywords

Sophorae Fructus - flavonoid glycosides - saponins - UPLC-Q-TOF-MS/MS - fragmentation

Supplementary Material



Publication History

Article published online:
15 August 2022

© 2022. The Author(s). This is an open access article published by Thieme under the terms of the Creative Commons Attribution License, permitting unrestricted use, distribution, and reproduction so long as the original work is properly cited. (https://creativecommons.org/licenses/by/4.0/)

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