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Chrysobalanaceae plant species

ABSTRACT: The present dataset was applied to investigate the structural characterization of flavonoid-O-glycoconjugates using massive molecular networks embedding information based on chemical and taxonomical data (including previous findings on mechanistically and struc-turally gas-phase chemistry of flavonoids, plant species and metabolic distributions).

INSTRUMENT(S): 6520A Quadrupole Time-of-Flight LC/MS

ORGANISM(S): Couepia Grandiflora Parinari Excelsa (ncbitaxon:1186173) Hirtella Hebeclada (ncbitaxon:1272972) Licania Hoehnei Licania Kunthiana (ncbitaxon:544667) Licania Humilis

SUBMITTER: Norberto Peporine Lopes

PROVIDER: MSV000082164 | MassIVE | Tue Mar 13 21:03:00 GMT 2018

REPOSITORIES: MassIVE

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Publications

Mass Spectral Similarity Networking and Gas-Phase Fragmentation Reactions in the Structural Analysis of Flavonoid Glycoconjugates.

Pilon Alan Cesar AC Gu Haiwei H Raftery Daniel D Bolzani Vanderlan da Silva VDS Lopes Norberto Peporine NP Castro-Gamboa Ian I Carnevale Neto Fausto F

Analytical chemistry 20190731 16

Flavonoids represent an important class of natural products with a central role in plant physiology and human health. Their accurate annotation using untargeted mass spectrometry analysis still relies on differentiating similar chemical scaffolds through spectral matching to reference library spectra. In this work, we combined molecular network analysis with rules for fragment reactions and chemotaxonomy to enhance the annotation of similar flavonoid glyconjugates. Molecular network topology pro ...[more]

PMID: 31313915

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