Dataset Information

GNPS - Exploring Oxylipin Diversity with NEO-MSMS

ABSTRACT: Paper title: From MS/MS Library Implementation to Molecular Networks: Exploring Oxylipin Diversity with NEO-MSMS Author List: Anis Elloumi, Lindsay Mas-Normand, Jamie Bride, Guillaume Reversat, Valerie Bultel-Ponce, Alexandre Guy, Camille Oger, Marie Demion, Jean-Yves Le Guennec, Thierry Durand, Claire Vigor, Angel Sanchez-Illana, Jean-Marie Galano Brief description of the data submitted: This dataset encompasses MS/MS data derived from pure non-enzymatic oxygenated metabolites of PUFAs (NEO-PUFA) and LC-MS/MS data dependent acquisition-based analysis (DDA) of in vitro free radical-induced oxidations encompassing diverse PUFAs and oxylipins. Additionally, it includes four serum samples and three microalgae samples as a proof of concept for the experimental methodology applied to real samples.

INSTRUMENT(S): Orbitrap ID-X, Q Exactive Focus Orbitrap

ORGANISM(S): Microalgae Homo Sapiens (ncbitaxon:9606) In Vitro Oxidized Pufas

SUBMITTER: Jean-Marie Galano