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Article

High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses.

Analytical chemistry - 1 Sept 2005

Jonsson Pär, Johansson Annika I, Gullberg Jonas, Trygg Johan, A Jiye, Grung Bjørn, Marklund Stefan, Sjöström Michael, Antti Henrik, Moritz Thomas

Abstract excerpt

In metabolomics, the objective is to identify differences in metabolite profiles between samples. A widely used tool in metabolomics investigations is gas chromatography-mass spectrometry (GC/MS). More than 400 compounds can be detected in a single analysis, if overlapping GC/MS peaks are deconvoluted. However, the deconvolution process is time-consuming and difficult to automate, and additional processing is...

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PMID: 16131076
DOI: 10.1021/ac050601e

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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