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 Petera avatar Mélanie Peteraorcid logoMelanie Föll avatar Melanie Föll

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Contributors

This material was contributed to by:

Simon Bray avatar Simon BrayJean-François Martin avatar Jean-François Martinorcid logoYann Guitton avatar Yann GuittonJulien Saint-Vanne avatar Julien Saint-Vanneorcid logoBjörn Grüning avatar Björn Grüningorcid logoPavankumar Videm avatar Pavankumar Videmorcid logoBérénice Batut avatar Bérénice Batutorcid logoHelena Rasche avatar Helena RascheMélanie Petera avatar Mélanie Peteraorcid logoHelge Hecht avatar Helge HechtWorkflow4Metabolomics core team avatar Workflow4Metabolomics core teamGildas Le Corguillé avatar Gildas Le Corguilléorcid logoJulia Jakiela avatar Julia JakielaSimeon Schum avatar Simeon Schumorcid logoMelanie Föll avatar Melanie Föllorcid logoSaskia Hiltemann avatar Saskia Hiltemannorcid logoKristina Gomoryova avatar Kristina GomoryovaCécile Canlet avatar Cécile Canletorcid logoCristóbal Gallardo avatar Cristóbal GallardoMaren Stillger avatar Maren Stillgerorcid logoMatej Troják avatar Matej Trojákorcid logoMaxim Skoryk avatar Maxim Skoryk

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