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:

Maren Stillger avatar Maren Stillgerorcid logoKristina Gomoryova avatar Kristina Gomoryovaorcid logoCécile Canlet avatar Cécile CanletSimeon Schum avatar Simeon Schumorcid logoHelge Hecht avatar Helge Hechtorcid logoMaxim Skoryk avatar Maxim SkorykGildas Le Corguillé avatar Gildas Le CorguilléJean-François Martin avatar Jean-François Martinorcid logoJulia Jakiela avatar Julia Jakielaorcid logoCristóbal Gallardo avatar Cristóbal Gallardoorcid logoBjörn Grüning avatar Björn Grüningorcid logoBérénice Batut avatar Bérénice Batutorcid logoMelanie Föll avatar Melanie Föllorcid logoMatej Troják avatar Matej TrojákWorkflow4Metabolomics core team avatar Workflow4Metabolomics core teamorcid logoPavankumar Videm avatar Pavankumar Videmorcid logoSaskia Hiltemann avatar Saskia Hiltemannorcid logoYann Guitton avatar Yann GuittonJulien Saint-Vanne avatar Julien Saint-VanneSimon Bray avatar Simon BrayMélanie Pétéra avatar Mélanie Pétéraorcid logoHelena Rasche avatar Helena Rasche

Funding

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

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UFR
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MetaboHUB
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RFMF
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ELIXIR Europe