This session introduces Metabonaut, an educational resource comprising a series of reproducible tutorials for untargeted LC-MS/MS metabolomics data analysis using R. Built around a representative LC-MS/MS dataset, the tutorials demonstrate how to construct an end-to-end analysis workflow using tools such as xcms and other packages from the RforMassSpectrometry ecosystem. We briefly demonstrate how to seamlessly incorporate a variety of R packages, as well as external tools and resources such as public annotation databases, Sirius and Python libraries. The session will conclude with a short discussion on future directions, emphasizing the adoption of standardized data classes, structures, and file formats to streamline the integration of diverse software tools.
- Metabonaut: A Collection of Tutorials for Learning Metabolomics Data Analysis in R
- Philippine Amandine, Jacqueline LouailJohannes Rainer
- Metabolomics 2025 (Prague, 22/06/2025–26/06/2025)
- (EURAC)30642098
991007222388101241 - Institute for Biomedicine
- English
- Conference presentation
- none
- Scientific
- Scientific
- Louail P, Rainer J