LC-MS/DIA-based strategy for comprehensive flavonoid profiling: an Ocotea spp. applicability case

We introduce a liquid chromatography - mass spectrometry with data-independent acquisition (LC-MS/DIA)-based strategy, specifically tailored to achieve comprehensive and reliable glycosylated flavonoid profiling. This approach facilitates in-depth and simultaneous exploration of all detected precurs...

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Bibliographic Details
Published in:RSC advances 2024-03, Vol.14 (15), p.10481-10498
Main Authors: Alves, Matheus Fernandes, Katchborian-Neto, Albert, Bueno, Paula Carolina Pires, Carnevale-Neto, Fausto, Casoti, Rosana, Ferreira, Miller Santos, Murgu, Michael, de Paula, Ana Claudia Chagas, Dias, Danielle Ferreira, Soares, Marisi Gomes, Chagas-Paula, Daniela Aparecida
Format: Article
Language:English
Subjects:
Chemistry
Data processing
Flavonoids
Flavonols
Flowers & plants
Liquid chromatography
Mass spectrometry
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Summary:We introduce a liquid chromatography - mass spectrometry with data-independent acquisition (LC-MS/DIA)-based strategy, specifically tailored to achieve comprehensive and reliable glycosylated flavonoid profiling. This approach facilitates in-depth and simultaneous exploration of all detected precursors and fragments during data processing, employing the widely-used open-source MZmine 3 software. It was applied to a dataset of six plant species. This framework suggested 49 flavonoids potentially newly described for these plant species, alongside 45 known features within the genus. Flavonols kaempferol and quercetin, both exhibiting -glycosylation patterns, were particularly prevalent. Gas-phase fragmentation reactions further supported these findings. For the first time, the apigenin flavone backbone was also annotated in most of the examined species. Apigenin derivatives were found mainly in the -glycoside form, with displaying the highest flavone : flavonol ratio. The approach also allowed an unprecedented detection of kaempferol and quercetin in species, and it has underscored the untapped potential of LC-MS/DIA data for broad and reliable flavonoid profiling. Our study annotated more than 50 flavonoid backbones in each species, surpassing the current literature.
ISSN:2046-2069
2046-2069
DOI:10.1039/d4ra01384k