Author

Philippine Louail

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Review Open access Oct 2026

Metabonaut: an open educational resource for learning reproducible, script-based untargeted LC-MS/MS metabolomics

Two decades after the Metabolomics Standards Initiative, public deposition of raw LC-MS/MS data into archives such as MetaboLights, Metabolomics Workbench, GNPS and MassBank has matured, but the analyses that turn raw files into reported feature tables remain difficult to share, audit and reuse. The FAIR principles, or...

P. Louail, M. De Graeve, Alexandru Mahmoud et al. · Metabolomics · 0 citations

Review Open access 2026

LC-MS Data Processing Using xcms.

Liquid chromatography-mass spectrometry (LC-MS) is a key technology in metabolomics, enabling high-throughput detection of small molecules across diverse biological samples. However, raw LC-MS data are complex, requiring careful preprocessing to ensure accurate and reproducible feature detection. This chapter introduce...

M. De Graeve, P. Louail, Johannes Rainer · Methods in molecular biology · 0 citations