Metabolomics

Training material to analyse Mass spectrometry data in Galaxy: Metabolomics (LCMS, FIAMS, GCMS, NMR) and imaging.

Requirements

Before diving into this topic, we recommend you to have a look at:

Material

You can view the tutorial materials in different languages by clicking the dropdown icon next to the slides () and tutorial () buttons below.
Lesson Slides Hands-on Recordings Input dataset Workflows
Introduction to Metabolomics
Mass spectrometry imaging: Examining the spatial distribution of analytes
metabolomics mass spectrometry imaging imaging
Mass spectrometry imaging: Finding differential analytes
metabolomics mass spectrometry imaging imaging
Mass spectrometry: GC-MS analysis with the metaMS package
metabolomics exposomics gc-ms
Mass spectrometry: GC-MS data processing (with XCMS, RAMClustR, RIAssigner, and matchms)
metabolomics exposomics gc-ms
Mass spectrometry: LC-MS analysis
metabolomics lc-ms
Mass spectrometry: LC-MS data processing
metabolomics lc-ms
Mass spectrometry: LC-MS preprocessing with XCMS
metabolomics lc-ms
Molecular formula assignment and mass recalibration with MFAssignR package
metabolomics exposomics lc-ms gc-ms
Predicting EI+ mass spectra with QCxMS
metabolomics exposomics gc-ms computational-chemistry quantum-chemistry

Frequently Asked Questions

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Editorial Board

This material is reviewed by our Editorial Board:

Gildas Le Corguillé avatar Gildas Le CorguilléMélanie Pétéra avatar Mélanie Pétéraorcid logoMelanie Föll avatar Melanie Föll

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Contributors

This material was contributed to by:

orcid logoKristina Gomoryova avatar Kristina GomoryovaSimeon Schum avatar Simeon Schumorcid logoCristóbal Gallardo avatar Cristóbal Gallardoorcid logoMatej Troják avatar Matej Trojákorcid logoPavankumar Videm avatar Pavankumar VidemJulien Saint-Vanne avatar Julien Saint-VanneWorkflow4Metabolomics core team avatar Workflow4Metabolomics core teamJean-François Martin avatar Jean-François Martinorcid logoMelanie Föll avatar Melanie Föllorcid logoBjörn Grüning avatar Björn GrüningSimon Bray avatar Simon Brayorcid logoCécile Canlet avatar Cécile Canletorcid logoSaskia Hiltemann avatar Saskia Hiltemannorcid logoYann Guitton avatar Yann Guittonorcid logoBérénice Batut avatar Bérénice Batutorcid logoMaxim Skoryk avatar Maxim SkorykGildas Le Corguillé avatar Gildas Le CorguilléMaren Stillger avatar Maren Stillgerorcid logoHelge Hecht avatar Helge Hechtorcid logoJulia Jakiela avatar Julia Jakielaorcid logoHelena Rasche avatar Helena RascheMélanie Pétéra avatar Mélanie Pétéra

Funding

These individuals or organisations provided funding support for the development of this resource

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MetaboHUB
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UFR
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ELIXIR Europe
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RFMF