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

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 nega...

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Bibliographic Details
Published inPharmaceutical fronts Vol. 4; no. 3; pp. e162 - e178
Main Authors He, Zi-Hui, Liu, Mo, Ren, Jun-Xuan, Ouyang, Dan-Wei
Format Journal Article
LanguageEnglish
Published Rüdigerstraße 14, 70469 Stuttgart, Germany Georg Thieme Verlag KG 01.09.2022
Subjects
flavonoid glycosides
fragmentation
Original Article
saponins
sophorae fructus
uplc-q-tof-ms/ms
UPLC-Q-TOF-MS/MS
fragmentation
flavonoid glycosides
saponins
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Summary: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 .
ISSN:2628-5088
2628-5096
DOI:10.1055/s-0042-1751315