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
Mass spectrometry imaging: Finding differential analytes
Mass spectrometry: GC-MS analysis with the metaMS package
Mass spectrometry: GC-MS data processing (with XCMS, RAMClustR, RIAssigner, and matchms)
Mass spectrometry: LC-MS analysis
Mass spectrometry: LC-MS data processing
Mass spectrometry: LC-MS preprocessing with XCMS
Molecular formula assignment and mass recalibration with MFAssignR package
Predicting EI+ mass spectra with QCxMS

Frequently Asked Questions

Common questions regarding this topic have been collected on a dedicated FAQ page . Common questions related to specific tutorials can be accessed from the tutorials themselves.

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Editorial Board

This material is reviewed by our Editorial Board:

Gildas Le Corguillé avatar Gildas Le CorguilléMélanie Petera avatar Mélanie Peteraorcid logoMelanie Föll avatar Melanie Föll

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Contributors

This material was contributed to by:

orcid logoMaxim Skoryk avatar Maxim Skorykorcid logoHelge Hecht avatar Helge Hechtorcid logoMelanie Föll avatar Melanie FöllWorkflow4Metabolomics core team avatar Workflow4Metabolomics core teamMélanie Petera avatar Mélanie Peteraorcid logoSaskia Hiltemann avatar Saskia Hiltemannorcid logoBérénice Batut avatar Bérénice BatutJulien Saint-Vanne avatar Julien Saint-Vanneorcid logoJulia Jakiela avatar Julia Jakielaorcid logoKristina Gomoryova avatar Kristina Gomoryovaorcid logoHelena Rasche avatar Helena RascheCécile Canlet avatar Cécile CanletGildas Le Corguillé avatar Gildas Le Corguilléorcid logoBjörn Grüning avatar Björn GrüningSimon Bray avatar Simon BrayMaren Stillger avatar Maren Stillgerorcid logoCristóbal Gallardo avatar Cristóbal Gallardoorcid logoMatej Troják avatar Matej TrojákSimeon Schum avatar Simeon Schumorcid logoYann Guitton avatar Yann GuittonJean-François Martin avatar Jean-François Martin

Funding

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

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ELIXIR Europe
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MetaboHUB
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UFR
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RFMF