Evidence map›Paper›PMID 39180595›Full record

ArticleAnalytical and bioanalytical chemistry2025

Navigating the maze of mass spectra: a machine-learning guide to identifying diagnostic ions in O-glycan analysis.

James Urban, Roman Joeres, Luc Thomès, Kristina A Thomsson, Daniel Bojar

Abstract read
In one paragraph

Article in Analytical and bioanalytical chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

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3 · Its place in the literature

Who cites it

3 citing papers in PubMed.

  1. Article
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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

5 authors.

James UrbanDepartment of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg, Sweden.
Roman JoeresDepartment of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg, Sweden.
Luc ThomèsULR 7364 - RADEME - Maladies RAres du DÉveloppement embryonnaire et du Métabolisme, CHU Lille, University Lille, 59000, Lille, France.
Kristina A ThomssonProteomics Core Facility at Sahlgrenska Academy, University of Gothenburg, Gothenburg, Sweden.
Daniel BojarDepartment of Chemistry and Molecular Biology, University of Gothenburg, Gothenburg, Sweden. daniel.bojar@gu.se.

Funding

Vetenskapsrådet BioMS
6 · The paper itself

Abstract

Structural details of oligosaccharides, or glycans, often carry biological relevance, which is why they are typically elucidated using tandem mass spectrometry. Common approaches to distinguish isomers rely on diagnostic glycan fragments for annotating topologies or linkages. Diagnostic fragments are often only known informally among practitioners or stem from individual studies, with unclear validity or generalizability, causing annotation heterogeneity and hampering new analysts. Drawing on a curated set of 237,000 O-glycomics spectra, we here present a rule-based machine learning workflow to uncover quantifiably valid and generalizable diagnostic fragments. This results in fragmentation rules to robustly distinguish common O-glycan isomers for reduced glycans in negative ion mode. We envision this resource to improve glycan annotation accuracy and concomitantly make annotations more transparent and homogeneous across analysts.

Indexed as

GlycomicsMachine LearningMass SpectrometryPolysaccharidesTandem Mass SpectrometryHumansIonsIonsPolysaccharidesBioinformaticsCarbohydratesComputational biologyMachine learningMass spectrometry

Identifiers

PMID39180595
PMCPMC11782297

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Registered trials

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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.