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...
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| Format: | Article |
| Language: | English |
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Georg Thieme Verlag KG
2022-09-01
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| Series: | Pharmaceutical Fronts |
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| Online Access: | http://www.thieme-connect.de/DOI/DOI?10.1055/s-0042-1751315 |
| _version_ | 1818017060335124480 |
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| author | Zi-Hui He Mo Liu Jun-Xuan Ren Dan-Wei Ouyang |
| author_facet | Zi-Hui He Mo Liu Jun-Xuan Ren Dan-Wei Ouyang |
| author_sort | Zi-Hui He |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-14T07:21:57Z |
| format | Article |
| id | doaj.art-bb5f02c58cdc4e8f8de2d77fbc710404 |
| institution | Directory Open Access Journal |
| issn | 2628-5088 2628-5096 |
| language | English |
| last_indexed | 2024-04-14T07:21:57Z |
| publishDate | 2022-09-01 |
| publisher | Georg Thieme Verlag KG |
| record_format | Article |
| series | Pharmaceutical Fronts |
| spelling | doaj.art-bb5f02c58cdc4e8f8de2d77fbc7104042022-12-22T02:06:09ZengGeorg Thieme Verlag KGPharmaceutical Fronts2628-50882628-50962022-09-010403e162e17810.1055/s-0042-1751315Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MSZi-Hui He0Mo Liu1Jun-Xuan Ren2Dan-Wei Ouyang3State 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 ChinaState 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 ChinaState 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 ChinaState 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 ChinaAbstract 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.http://www.thieme-connect.de/DOI/DOI?10.1055/s-0042-1751315 sophorae fructus flavonoid glycosidessaponinsuplc-q-tof-ms/msfragmentation |
| spellingShingle | Zi-Hui He Mo Liu Jun-Xuan Ren Dan-Wei Ouyang Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MS Pharmaceutical Fronts sophorae fructus flavonoid glycosides saponins uplc-q-tof-ms/ms fragmentation |
| title | Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MS |
| title_full | Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MS |
| title_fullStr | Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MS |
| title_full_unstemmed | Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MS |
| title_short | Structural Characterization of Chemical Compounds Based on Their Fragmentation Rules in Sophorae Fructus by UPLC-QTOF-MS/MS |
| title_sort | structural characterization of chemical compounds based on their fragmentation rules in sophorae fructus by uplc qtof ms ms |
| topic | sophorae fructus flavonoid glycosides saponins uplc-q-tof-ms/ms fragmentation |
| url | http://www.thieme-connect.de/DOI/DOI?10.1055/s-0042-1751315 |
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