Evidence map›Paper›PMID 42829392›Full record

ReviewMetabolomics : Official journal of the Metabolomic Society2026

Metabonaut: an open educational resource for learning reproducible, script-based untargeted LC-MS/MS metabolomics.

Philippine Louail, Marilyn De Graeve, Alexandru Mahmoud, Daniel Marques de Sá E Silva, Kozo Nishida, Vilhelm Suksi, Anna Tagliaferri, Gabriele Tomè, Vinicius Verri Hernandes, Johannes Rainer

Abstract readReview
In one paragraph

Review in Metabolomics : Official journal of the Metabolomic Society, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

0numbers the graph read from it
0cells of the map it votes in
0citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

0 citing papers in PubMed.

No citing paper in PubMed yet.

4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

10 authors.

Philippine LouailInstitute for Biomedicine, Eurac Research, Via Volta 21, 39100, Bolzano, Italy.ORCID http://orcid.org/0009-0007-5429-6846
Marilyn De GraeveInstitute for Biomedicine, Eurac Research, Via Volta 21, 39100, Bolzano, Italy.ORCID http://orcid.org/0000-0001-6916-401X
Alexandru MahmoudLimerick Digital Cancer Research Centre, Health Research Institute, School of Medicine, University of Limerick, Limerick, Ireland.ORCID http://orcid.org/0000-0002-3779-492X
Daniel Marques de Sá E SilvaDepartment of Chemistry, Aristotle University of Thessaloniki, Thessaloniki, Greece.ORCID http://orcid.org/0000-0002-9674-042X
Kozo NishidaLaboratory for Biologically Inspired Computing, RIKEN Center for Biosystems Dynamics Research, Kobe, 650-0047, Hyogo, Japan.ORCID http://orcid.org/0000-0001-8501-7319
Vilhelm SuksiDepartment of Computing, University of Turku, Turku, Finland.ORCID http://orcid.org/0009-0005-1108-518X
Anna TagliaferriFaculty of Agricultural, Environmental and Food Sciences, Free University of Bozen-Bolzano, Bolzano, Italy.ORCID http://orcid.org/0009-0001-4044-4285
Gabriele TomèInstitute for Biomedicine, Eurac Research, Via Volta 21, 39100, Bolzano, Italy.ORCID http://orcid.org/0000-0002-3976-6068
Vinicius Verri HernandesInstitute for Biomedicine, Eurac Research, Via Volta 21, 39100, Bolzano, Italy.ORCID http://orcid.org/0000-0002-3057-6460
Johannes RainerInstitute for Biomedicine, Eurac Research, Via Volta 21, 39100, Bolzano, Italy. Johannes.Rainer@eurac.edu.ORCID https://orcid.org/0000-0002-6977-7147

Funding

Autonomous Province of Bolzano D53C25001030003HORIZON EUROPE Marie Sklodowska-Curie Actions 101073062
6 · The paper itself

Abstract

backgroundTwo decades after the Metabolomics Standards Initiative, public deposition of raw LC-MS/MS data into archives such as MetaboLights, Metabolomics Workbench, GNPS and MassBank has matured, but the analyses that turn raw files into reported feature tables remain difficult to share, audit and reuse. The FAIR principles, originally formulated for data, later extended to research software and to workflows, make a strong case that this gap matters; we adopt that view and ask how an educational resource can help researchers cross it. AIM OF REVIEW: This is an educational review where we describe the principles of FAIR and reproducible analysis as they apply to untargeted LC-MS metabolomics, and we show how those principles are realised in Metabonaut, an open educational resource built on top of the R for Mass Spectrometry/Bioconductor ecosystem. Metabonaut provides executable example workflows from raw mzML files to annotated feature tables, demonstrates interoperability across programming languages, and is built with and for the community. KEY SCIENTIFIC CONCEPTS OF REVIEW: After a brief tour of the underlying software ecosystem and of literate programming, the review discusses three topics, each through one or more Metabonaut vignettes: visual inspection and quality control, reuse of public archives at scale, and cross-language interoperability. Together, they teach how to carry FAIR practice from data to analysis: making the analysis itself, and not only the data it consumes, shareable, auditable and reusable. The source code of Metabonaut and links to pre-rendered workflow documents are available at https://github.com/RforMassSpectrometry/Metabonaut .

Indexed as

Liquid Chromatography-Mass SpectrometryMetabolomicsTandem Mass SpectrometryChromatography, LiquidHumansSoftwareFAIR principlesLiterate programmingMetabonautOpen educational resourceReproducible researchUntargeted metabolomics

Identifiers

PMID42829392
PMCPMC13634014

What OpenQuestion holds

Textmetadata
Read underepoch 390

Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.