نبذة مختصرة : International audience ; etabolomics has become an invaluable tool for studying metabolism and biomarker discovery, playing a critical role in drug discovery. In metabolomics field, lipids hold a significant place as they are involved in several diseases such as Alzheimer's and Parkinson's. Mass spectrometry is the most widely used technique for lipid detection and identification. There are several methods for this purpose, which differ in separation and ion detection depending on the instruments used. However, the performance of each method in lipids detection is not well established. In this project, we aimed to develop a bioinformatics workflow using the most effective open-source tools for untargeted data treatment, lipid detection, and annotation. Additionally, we aimed to compare those two MS methods. We used lipids extracted from two biological cases: C1 and C2, to be analyzed using LC-Orbitrap (Thermo) and SFC-QTOF (Waters) spectrometry. From a bioinformatics perspective, we compared W4M and MSDial for detection, and MSFinder in addition to Sirius and AI for annotation. The LC-Orbitrap demonstrated higher performance compared to the Waters instrument. Similarly, MSDial detected more features than W4M especially at low-intensity and negative ionization mode. For the annotation the work is still in progress to compare the performance’s tools used and we will try to use AI for lipids prediction. ; L'étude des métabolites, en particulier des lipides, joue un rôle crucial dans la fabrication des médicaments, car ils sont impliqués dans de nombreuses maladies, notamment Alzheimer et Parkinson. La spectrométrie de masse (MS) est largement utilisée pour étudier ces molécules. Une étude MS non ciblée peut être particulièrement efficace pour détecter les lipides associés à une maladie spécifique. Dans ce projet, nous avons comparé deux méthodes de détection et d'identification des lipides. Nous avons également développé un workflow bioinformatique en utilisant des outils open-source performants pour le traitement ...
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