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

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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 logoHelge Hecht avatar Helge HechtMaren Stillger avatar Maren Stillgerorcid logoYann Guitton avatar Yann Guittonorcid logoBjörn Grüning avatar Björn GrüningSimeon Schum avatar Simeon SchumSimon Bray avatar Simon BrayWorkflow4Metabolomics core team avatar Workflow4Metabolomics core teamorcid logoBérénice Batut avatar Bérénice Batutorcid logoSaskia Hiltemann avatar Saskia HiltemannGildas Le Corguillé avatar Gildas Le CorguilléCécile Canlet avatar Cécile Canletorcid logoMelanie Föll avatar Melanie Föllorcid logoCristóbal Gallardo avatar Cristóbal Gallardoorcid logoKristina Gomoryova avatar Kristina Gomoryovaorcid logoHelena Rasche avatar Helena Rascheorcid logoMatej Troják avatar Matej Trojákorcid logoJulia Jakiela avatar Julia JakielaMélanie Petera avatar Mélanie Peteraorcid logoMaxim Skoryk avatar Maxim SkorykJulien Saint-Vanne avatar Julien Saint-VanneJean-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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RFMF
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MetaboHUB
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UFR