External learning resources

Education

Find tutorials, workshops, and training videos for metabolomics concepts and tools in Metabolomics Navigator.

About these resources. “Reviewed” means the written resource was checked for scope and relevance. “Source checked” means a recording's provider, title and topic were checked; the video was not watched end to end. Exercises were not executed. Check the notes for older software versions. These external links are not endorsements.

82 resources

Published 2026

Functional Metabolomics Lab

Daniel Petras presents ChemProp alongside data integration in Cytoscape. Relevant when moving from molecular networks toward interpreting relationships among features and associated data.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Anelize Bauermeister presents network visualization in Cytoscape. A resource for researchers ready to explore and present relationships in molecular-network results.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Yourae Shin and Ming Wang present feature detection with Everything Bagel. This session addresses finding analytical features before downstream annotation, networking and interpretation.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Daniel Petras leads a hands-on session with FBMN STATS for statistical analysis of feature-based molecular networking results. This follows the introductory statistics session.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Allegra Aron welcomes participants to the Denver summer school. Course orientation for the recording series rather than a standalone tool tutorial.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Scott and Alan Jarmusch introduce mass spectrometry basics. Begin here if you are new to MS-based metabolomics and want background before the software-focused sessions.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Allegra Aron introduces the datasets used in the summer school. Watch for context before following the subsequent practical data-analysis sessions.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Keynote lecture by Pieter Dorrestein at the 2026 non-target metabolomics summer school. The recording title does not specify the scientific topic; the specific scientific topic is not stated in the source title.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Mrunali Manjrekar discusses deep learning for structure elucidation. Relevant to researchers exploring how learned models can support the interpretation of molecular structure from analytical data.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2026

Functional Metabolomics Lab

Simone Zuffa presents the first statistics session in the summer-school sequence. Pair it with the following FBMN STATS hands-on session for the practical component.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Keynote lecture by Ricardo Da Silva at the 2026 non-target metabolomics summer school. The recording title does not specify the scientific topic; the specific scientific topic is not stated in the source title.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Part 1 of Wout Bittremieux's introduction to artificial intelligence and machine learning in metabolomics. A starting point for exploring computational learning approaches in this field.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Part 2 of Wout Bittremieux's introduction to artificial intelligence and machine learning in metabolomics. Continue from part 1 for the second session in this two-part sequence.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Emily Gentry introduces repository-scale analysis, placing individual metabolomics experiments in the context of larger collections of public data.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Keynote lecture by Emily Gentry at the 2026 non-target metabolomics summer school. The recording title does not specify the scientific topic; the specific scientific topic is not stated in the source title.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Daniel Petras, Allegra Aron and Simone Zuffa discuss biological interpretation of metabolomics results: the stage after processing and annotation when analytical findings need scientific context.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Simone Zuffa discusses correlations between metabolites and microbes. A session for researchers exploring how metabolomics results relate to microbial measurements.

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Video Workshop

1st GNPS User Meeting

Source checked

Published 2020

Dorrestein Lab

GNPS community meeting recording. Explore how the platform is discussed by its user community; this is a broad meeting rather than a sequential software tutorial.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2022

Functional Metabolomics Lab

Dorrestein and Petras present molecular networking in this CMFI seminar. Background for understanding how spectral relationships can organize metabolomics data.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2020

Dorrestein Lab

Training focused on the GC-MS analysis sequence: deconvolution, spectral-library searching and molecular networking. Choose this resource for gas-chromatography data rather than an LC-MS workflow.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Video Workshop

GNPS GC - Part 2

Source checked

Published 2020

Dorrestein Lab

Second session in the GNPS GC-MS training sequence. Intended for gas-chromatography mass spectrometry workflows; check the current GNPS documentation before reproducing older steps.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2020

Dorrestein Lab

GNPS spectral-library workshop and hackathon recording. Community training around library resources; the format is broader than a single step-by-step tutorial.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2020

Dorrestein Lab

GNPS session on merging networks from different ionization polarities. Relevant to researchers considering how positive- and negative-mode results can be viewed together.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2021

Divisão de Produtos Naturais — SBQ (GNPS listing)

Portuguese-language session introducing metabolomics principles and GNPS tools. Part 1 of a two-part learning sequence.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2021

Divisão de Produtos Naturais — SBQ (GNPS listing)

Portuguese-language session on metabolomics principles and GNPS tools. Continue from part 1 for the second instalment.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2021

Mingxun Wang (GNPS workshop listing)

GNPS workshop framed around food, diet and the microbiome. A domain-focused learning resource for researchers connecting metabolomics analysis with microbiome questions.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Reviewed

Date not listed

GNPS project

GNPS training hub collecting workshop materials. Browse for a topic-specific session, then check its recording date and software interface before following it.

Tools covered

Workshop index reviewed for recording/topic associations. Includes historical GNPS interfaces; use current documentation when reproducing steps.

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Published 2021

Dorrestein Lab

MANA 2021 workshop spanning GNPS molecular networking, Dashboard and MASST. Compare resources for organizing spectra, inspecting data and searching public repositories.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2020

Dorrestein Lab

Workshop on the Metabolomics Spectrum Resolver for retrieving and customizing spectrum visualizations using Universal Spectrum Identifiers. This is distinct from the GNPS2 MS/MS Spectrum Summary app.

Tools covered

Workshop identity checked against the GNPS workshop index and Spectrum Resolver documentation. Associated with GNPS rather than the distinct Spectrum Summary app. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Daniel Petras and Ming Wang introduce data sharing and analysis with GNPS2. A starting point for placing public data access alongside the practical analysis workflow.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Vanessa Phelan introduces molecular networking in GNPS2. Relevant for organizing tandem mass spectra by similarity and exploring related molecules in a dataset.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Video Workshop

GNPS Dashboard - Overview

Source checked

Published 2021

Dorrestein Lab

Overview of GNPS Dashboard for exploring mass spectrometry data. A starting point before using the linked Dashboard teaching example.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2021

Michael T. Marty (linked from GNPS documentation)

Teaching example linked from the GNPS Dashboard documentation. Follow a tutorial use case to put the Dashboard overview into practical context.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2020

Dorrestein Lab

Workshop on classical molecular networking in GNPS: grouping related tandem mass spectra to explore molecular families. Use alongside the current documentation when following an older interface.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2020

Dorrestein Lab

Portuguese-language introduction to classical molecular networking in GNPS. Relevant for exploring relationships among tandem mass spectra.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2020

Dorrestein Lab

Spanish-language introduction to classical molecular networking in GNPS. Relevant for exploring relationships among tandem mass spectra.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2018

Dorrestein Lab

American Gut tutorial combining MZmine 2 with GNPS feature-based molecular networking. A worked dataset connects preprocessing with networking; the MZmine interface is a legacy version.

Tools covered

Legacy MZmine 2 interface. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

Open resource ↗

Source checked

Published 2020

Dorrestein Lab

Part 2 of the Spanish-language feature-based molecular networking tutorial. Continue from part 1 for the remainder of the sequence.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2020

Dorrestein Lab

Feature-based molecular networking training using MZmine 2 and GNPS. Relevant for connecting detected features to spectral networks; screenshots and menus reflect the older MZmine interface.

Tools covered

Legacy MZmine 2 interface. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2020

Dorrestein Lab

GNPS workshop introducing ion-identity molecular networking and native-metabolomics context. It connects related ion forms with feature-based networking; compare the historical MZmine workflow with current documentation.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2026

Functional Metabolomics Lab

Runzhong Wang presents ICEBERG in the summer-school programme. A tool-focused introduction for researchers exploring computational approaches to tandem mass spectra.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Functional Metabolomics Lab

Allegra Aron and Scott Jarmusch introduce MassQL, a query language for mass spectrometry data. Relevant when searching spectra for defined patterns rather than browsing individual spectra manually.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Video Workshop

GNPS MASST

Source checked

Published 2020

Dorrestein Lab

Workshop on MASST, the GNPS mass spectrometry search tool. Relevant when asking where a tandem mass spectrum occurs across public datasets.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2026

Metabolomics Society

Part 1 of a MetaboAnalyst 5.0 workshop focused on LC-MS and tandem-MS data. Use as version-specific training and compare its steps with the current interface.

Tools covered

Historical/version-specific MetaboAnalyst recording. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Reviewed

Date not listed

MetaboAnalyst / Xia Lab

Official MetaboAnalyst tutorial collection. Choose a tutorial that matches your analysis objective and input data rather than treating every module as a required workflow step.

Tools covered

Tutorial catalogue includes versions 6.0 and earlier. The provider warns that screenshots may be outdated; choose the module and version appropriate to the data.

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Source checked

Published 2016

Bioinformatics DotCa

Recorded introduction to metabolomic data analysis using MetaboAnalyst. It uses an older version; consult current tutorials for present-day menus and options.

Tools covered

Historical/version-specific MetaboAnalyst recording. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Tutorial

MetFrag Hands-on

Reviewed

Date not listed

MetFrag project / IPB Halle

Hands-on MetFrag learning resource for computational annotation. Relevant when investigating candidate structures using tandem mass spectrometry evidence.

Tools covered

Underlying training README reviewed: precursor-based candidate retrieval, fragment matching, formula/retention-time scoring and library comparison. Linked services and code examples were not executed.

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Video Workshop

GNPS MolNetEnhancer

Source checked

Published 2020

Dorrestein Lab

Workshop introducing MolNetEnhancer in the GNPS ecosystem. Relevant for adding chemical-class and annotation context to molecular networks.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2022

MS-DIAL project

Silent screen demonstration of MassQL within MS-DIAL 5. It shows the query interface rather than providing narrated instruction; consult the current MassQL and MS-DIAL documentation alongside the recording.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2024

MS-DIAL project

MS-DIAL 5 walkthrough for LC-MS/MS data acquired with data-dependent acquisition. Choose this tutorial when your acquisition type is DDA.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Reviewed

Date not listed

MS-DIAL project

Official MS-DIAL 5 tutorial resource. A starting point for learning the software before selecting a walkthrough for your acquisition type and analysis task.

Tools covered

Version-5 guide reviewed for project setup, data types, reference databases, processing and export. Version-specific instructions do not certify current software operation.

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Source checked

Published 2022

MS-DIAL project

Tutorial for the MS-DIAL 5 raw-data viewer. Relevant at the initial inspection stage, before drawing conclusions from processed feature tables.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2022

MS-DIAL project

Tutorial connecting MS-DIAL 5 with MS-FINDER for annotation of unknowns. Focuses on the handoff between data processing and computational structure investigation.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2020

Data Deconvolution Lab (GNPS community listing)

Portuguese-language tutorial covering MS-DIAL and GNPS. A resource for researchers learning how these tools fit into metabolomics analysis.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2022

MS-DIAL project

Tutorial on multivariate analysis within MS-DIAL 5. Relevant when moving from processed data to exploring patterns across samples.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Reviewed

Updated 2018

MS-FINDER project

MS-FINDER tutorial for computational investigation of small-molecule identities. Relevant after obtaining mass-spectrometry evidence for an unknown compound.

Tools covered

Guide last edited December 2018; covers formats, query import, formula/structure searches and export. Legacy Windows/software instructions require compatibility checks.

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Video Workshop

GNPS - MS2LDA

Source checked

Published 2020

Dorrestein Lab

GNPS workshop on MS2LDA and its use in exploring recurring fragment and neutral-loss patterns. A resource for moving from spectra toward substructure-level interpretation.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2022

Functional Metabolomics Lab

Summer-school session pairing MS2LDA with MolNetEnhancer. Relevant for interpreting molecular networks using recurring spectral patterns and chemical annotation context.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2023

Functional Metabolomics Lab

Summer-school session on MS2LDA. Relevant when exploring shared fragmentation patterns as evidence for molecular substructures.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Training hub

MZmine Learners corner

Reviewed

Date not listed

mzmine project

Curated official page pointing to current MZmine videos, workshops, Functional Metabolomics Lab, and related channels.

Tools covered

Official learning hub reviewed: video collections, general MS teaching and computational-metabolomics resources. Individual recordings vary in date and software version.

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Training hub

MZmine workshops

Reviewed

Date not listed

mzmine project

MZmine workshop collection. Find training by analysis topic and check the demonstrated version before reproducing interface-specific steps.

Tools covered

Official workshop listing reviewed for dates, speakers and training topics, including the VMOL series. Check each workshop version rather than assuming current menus.

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Source checked

Published 2023

Functional Metabolomics Lab

Bonus summer-school session on new features in MZmine 3. Supplement the core preprocessing training with this version-specific overview.

Tools covered

MZmine 3 training. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2023

Functional Metabolomics Lab

First summer-school session on data preprocessing in MZmine 3. Relevant before downstream annotation or statistics; the interface shown is version 3.

Tools covered

MZmine 3 training. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2026

Functional Metabolomics Lab

Part 3 of Robin Schmid's mzmine training sequence. Continue from the two day-1 sessions for the final recorded instalment of this tool-focused workshop.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2026

Functional Metabolomics Lab

Part 1 of Robin Schmid's mzmine workshop. Start here for the three-part tool-training sequence before moving on to parts 2 and 3.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2026

Functional Metabolomics Lab

Part 2 of Robin Schmid's mzmine workshop. Continue from part 1; a third session follows on day 2 of the summer school.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2024

Functional Metabolomics Lab / VMOL

VMOL seminar introducing non-target LC-MS/MS processing in mzmine. The official workshop listing identifies feature detection, statistical analysis, molecular networking and compound annotation as the session topics.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2024

Functional Metabolomics Lab / VMOL

MZmine workshop spanning GC-MS, MALDI-MS and lipid data processing. Browse for the modality that matches your experiment; these are distinct analytical contexts.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2024

Functional Metabolomics Lab / VMOL

MZmine workshop focused on processing ion-mobility mass spectrometry data. Choose this resource when mobility information is part of your dataset.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2024

Functional Metabolomics Lab / VMOL

MZmine training focused on mass-spectral library generation. Relevant when building reference resources rather than only processing an experimental sample set.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Published 2022

Functional Metabolomics Lab

Hands-on metabolomics data analysis with pyOpenMS, the Python interface to OpenMS. The session uses Binder for an interactive computational environment.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Video Workshop

GNPS ReDU

Source checked

Published 2020

Dorrestein Lab

Workshop on ReDU and reuse of public mass spectrometry data with associated metadata. Relevant when exploring datasets beyond your own experiment.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Tutorial

patRoon tutorial

Reviewed

Date not listed

patRoon project / Rick Helmus

patRoon tutorial for non-target analysis workflows in R. A resource for learners considering a scripted analysis environment.

Tools covered

Worked tutorial reviewed for project setup, feature finding/grouping, filtering, spectra extraction and annotation. Its processing code and external dependencies were not executed.

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Source checked

Published 2023

Functional Metabolomics Lab

First summer-school session on SIRIUS and CSI:FingerID. A resource for exploring computational molecular annotation from mass spectrometry data.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2026

Functional Metabolomics Lab

Part 1 of Kai Duehrkopp's SIRIUS workshop. An entry point for researchers exploring computational annotation of small molecules from mass spectrometry data.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

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Source checked

Published 2026

Functional Metabolomics Lab

Part 2 of Kai Duehrkopp's SIRIUS workshop. Continue from part 1 for the second session on this computational annotation tool.

Tools covered

2026 summer-school recording; publication year is the upload year. Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

Open resource ↗

Date not listed

Workflow4Metabolomics project

Workflow4Metabolomics how-to and training collection. A starting point for learning metabolomics analysis through the Galaxy-based platform.

Tools covered

Index reviewed for Galaxy setup, LC/GC-MS preprocessing, correction, statistics and annotation resources. The collection also includes NMR material; select MS-relevant modules for this catalogue.

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Date not listed

Bioconductor / CSAMA

Bioconductor training on preprocessing untargeted LC-MS data with XCMS in R. Start here for the processing stage before downstream statistics or biological interpretation.

Tools covered

2019 course material uses older MSnbase/XCMS interfaces. Data import, chromatogram inspection and preprocessing explanations reviewed; code and example data were not executed.

Open resource ↗

Published 2017

EMBL's European Bioinformatics Institute EMBL-EBI

LC-MS training combining XCMS data processing and MetFrag annotation in the PhenoMeNal environment. The platform is older, so use the workflow context alongside current software documentation.

Tools covered

Recording source, title and topic association checked on 27 October 2026. The lecture was not watched end to end and its exercises were not executed. Compare version-specific steps with current documentation.

Open resource ↗

Reviewed

Date not listed

Johannes Rainer and Philippine Louail / Bioconductor

XCMS tutorial and workshop collection. Find guidance for processing LC-MS data in R before selecting downstream annotation or statistical analysis.

Tools covered

README and workshop topics reviewed: Spectra/MsExperiment data access, centroiding, peak detection, alignment and correspondence. Documented environment uses Bioconductor 3.22; code was not executed.

Open resource ↗