Details

Autor(en) / Beteiligte

• Elloumi, Anis
• Mas-Normand, Lindsay
• Bride, Jamie
• Reversat, Guillaume
• Bultel-Poncé, Valérie
• Guy, Alexandre
• Oger, Camille
• Demion, Marie
• Le Guennec, Jean-Yves
• Durand, Thierry
• Vigor, Claire
• Sánchez-Illana, Ángel
• Galano, Jean-Marie

Titel

From MS/MS library implementation to molecular networks: Exploring oxylipin diversity with NEO-MSMS

Ist Teil von

• Scientific data, 2024-02, Vol.11 (1), p.193-193

Ort / Verlag

England: Nature Publishing Group

Erscheinungsjahr

2024

Link zum Volltext

Quelle

MEDLINE

Beschreibungen/Notizen

• Oxylipins, small polar molecules derived from the peroxidation of polyunsaturated fatty acids (PUFAs), serve as biomarkers for many diseases and play crucial roles in human physiology and inflammation. Despite their significance, many non-enzymatic oxygenated metabolites of PUFAs (NEO-PUFAs) remain poorly reported, resulting in a lack of public datasets of experimental data and limiting their dereplication in further studies. To overcome this limitation, we constructed a high-resolution tandem mass spectrometry (MS/MS) dataset comprising pure NEO-PUFAs (both commercial and self-synthesized) and in vitro free radical-induced oxidation of diverse PUFAs. By employing molecular networking techniques with this dataset and the existent ones in public repositories, we successfully mapped a wide range of NEO-PUFAs, expanding the strategies for annotating oxylipins, and NEO-PUFAs and offering a novel workflow for profiling these molecules in biological samples.