Evidence map›Paper›PMID 36791228›Full record

ReviewAnalytical chemistry2023

Ensuring Fact-Based Metabolite Identification in Liquid Chromatography-Mass Spectrometry-Based Metabolomics.

Georgios Theodoridis, Helen Gika, Daniel Raftery, Royston Goodacre, Robert S Plumb, Ian D Wilson

Abstract readReview
In one paragraph

Review in Analytical chemistry, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 45 papers.

0numbers the graph read from it
0cells of the map it votes in
45citing 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

45 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Article
  5. Review
  6. What's in a name? Metabolite identification: challenges and pitfalls in untargeted metabolomics.Metabolomics : Official journal of the Metabolomic Society · 2026
    Review
  7. Article
  8. Article
  9. Review
  10. Rigor, respect and responsible reviewing for Metabolomics: essential tips for peer review success.Metabolomics : Official journal of the Metabolomic Society · 2025
    Article
  11. Article
  12. Article
  13. Article
  14. Article
  15. Article
  16. Article
  17. Article
  18. Review
  19. Article
  20. Article
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

6 authors.

Georgios TheodoridisDepartment of Chemistry, Aristotle University of Thessaloniki, Thessaloniki 54124, Greece.ORCID 0000-0002-2015-108X
Helen GikaBiomic AUTh, Center for Interdisciplinary Research and Innovation (CIRI-AUTH), Balkan Center B1.4, 10th km Thessaloniki-Thermi Rd., P.O. Box 8318, Thessaloniki 57001Greece.ORCID 0000-0002-1893-937X
Daniel RafteryNorthwest Metabolomics Research Center, 850 Republican St., Seattle, Washington 98109, United States.ORCID 0000-0003-2467-8118
Royston GoodacreCentre for Metabolomics Research, Department of Biochemistry and Systems Biology, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, BioSciences Building, Crown St., Liverpool, L69 7ZB, United Kingdom.ORCID 0000-0003-2230-645X
Robert S PlumbScientific Operations, IMMERSE, Waters Corporation, Cambridge 02142, Massachusetts United States.ORCID 0000-0002-1380-9285
Ian D WilsonCentre for Metabolomics Research, Department of Biochemistry and Systems Biology, Institute of Systems, Molecular and Integrative Biology, University of Liverpool, BioSciences Building, Crown St., Liverpool, L69 7ZB, United Kingdom.ORCID 0000-0002-8558-7394

Funding

Translational Bioimaging Core Shared ResourceP30CA015704 · NCI · FRED HUTCHINSON CANCER RESEARCH CENTER · PI Eric Collisson · 1985 to 2026
$296.4M
PILOT STUDY--CLINICAL NUTRITION RESEARCHP30DK035816 · NIDDK · UNIVERSITY OF WASHINGTON · PI Ellen A Schur · 1986 to 2026
$30.4M
Modeling Homeostasis of Human Blood MetabolitesR01GM131491 · NIGMS · UNIVERSITY OF WASHINGTON · PI RAFTERY, DANIEL, ZHANG, DABAO · 2020 to 2023
$2.2M
Medical Research Council MR/S010483/1NCI NIH HHS P30 CA015704NIDDK NIH HHS P30 DK035816NIGMS NIH HHS R01 GM131491
6 · The paper itself

Abstract

Metabolite identification represents a major bottleneck in contemporary metabolomics research and a step where critical errors may occur and pass unnoticed. This is especially the case for studies employing liquid chromatography-mass spectrometry technology, where there is increased concern on the validity of the proposed identities. In the present perspective article, we describe the issue and categorize the errors into two types: identities that show poor biological plausibility and identities that do not comply with chromatographic data and thus to physicochemical properties (usually hydrophobicity/hydrophilicity) of the proposed molecule. We discuss the problem, present characteristic examples, and propose measures to improve the situation.

Indexed as

MetabolomicsChromatography, LiquidHydrophobic and Hydrophilic InteractionsMass Spectrometry

Identifiers

PMID36791228
PMCPMC9979140

What OpenQuestion holds

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LicenceCC BY
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.