This is similar to lipids, which have head groups containing various acyl residues 7. Flavonoids have a core structure called the aglycone, which contains a diphenylpropane backbone (C 6-C 3-C 6) and various types and numbers of substituents (e.g. In the case of flavonoids, this is because their structural features result in highly complex fragmentation 8, 9, 10, 11. A spectral library constructed based on compound group-specific rules of fragmentation in collision-induced dissociation (CID) has been constructed for the lipidomes 7 however, to date, this strategy has not been applied to other compound groups. Virtual mass spectra can be used to overcome mass spectral library limitations 6. This results in a high diversity of flavonoids, and a comprehensive and high-throughput technique is required for their annotation. Modification of the structure of a flavonoid can occur in the soil, during food fermentation processes and in the body (e.g.
However, because of the limited availability of authentic standards for peak identification in tandem mass spectrometry (MS/MS or MS n), comprehensive identification or annotation of flavonoids remains a challenge 3, 4. To date, >7,000 flavonoids have been identified, with many flavonoids showing antioxidant, anti-inflammatory, anti-cancer, estrogen-like and signal transduction activities 2.
Flavonoids are secondary metabolites derived from plants, and these compounds are a major target for mass spectrometry (MS)-based metabolomics because of their potential health benefits and functions in plants 1.
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