Journal
MOLECULES
Volume 27, Issue 7, Pages -Publisher
MDPI
DOI: 10.3390/molecules27072333
Keywords
software; mass spectrometry; flavonoid; Dalbergia odorifera
Funding
- National Natural Science Foundation of China [82130111]
- Sanming Project of Medicine in Shenzhen [SZZYSM202106004]
- Qi-Huang Scholar Chief Scientist Program of National Administration of Traditional Chinese Medicine Leading Talents Support Program (2020)
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This study proposed an integrated approach combining column separation, mass spectrometry post-processing, and result verification for the identification of flavonoids in Dalbergia odorifera. A total of 197 flavonoids were characterized, with 7 compounds unambiguously identified in level 1.
The complexity of metabolites in traditional Chinese medicine (TCM) hinders the comprehensive profiling and accurate identification of metabolites. In this study, an approach that integrates enhanced column separation, mass spectrometry post-processing and result verification was proposed and applied in the identification of flavonoids in Dalbergia odorifera. Firstly, column chromatography fractionation, followed by liquid chromatography-tandem mass spectrometry was used for systematic separation and detection. Secondly, a three-level data post-processing method was applied to the identification of flavonoids. Finally, fragmentation rules were used to verify the flavonoid compounds. As a result, a total of 197 flavonoids were characterized in D. odorifera, among which seven compounds were unambiguously identified in level 1, 80 compounds were tentatively identified by MS-DIAL and Compound Discoverer in level 2a, 95 compounds were annotated by Compound discoverer and Peogenesis QI in level 2b, and 15 compounds were exclusively annotated by using SIRIUS software in level 3. This study provides an approach for the rapid and efficient identification of the majority of components in herbal medicines.
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