GNPSapplication/xmlftp://massive-ftp.ucsd.edu/v06/MSV000093021/primaryOK2000000MetabolomicsJean-Marie GalanoOrbitrap ID-XQ Exactive Focus OrbitrapMicroalgaeHomo Sapiens (ncbitaxon:9606)In Vitro Oxidized Pufashttps://massive.ucsd.edu/ProteoSAFe/dataset.jsp?task=3ffaa5e345c34096bfd3fe5e720d0aa4jean-marie.galano@umontpellier.frInstitut des Biomolecules Max Mousseron (IBMM), UMR 5247-CNRSGNPS545MS:1002864 - No post-translational-modifications are included in the identified peptides of this dataset0falseGNPS - Exploring Oxylipin Diversity with NEO-MSMSPaper 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.Tue Oct 03 10:16:00 BST 2023MSV000093021