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Minimum variance optimized Fisher ratio analysis of comprehensive two-dimensional gas chromatography / mass spectrometry data: Study of the pacu fish metabolome

Journal of Chromatography A(2022)

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摘要
•Metabolomic differences were discovered between farmed and tank-raised pacu fish.•Minimum variance optimized F-ratio was developed for discovering most true positives.•A novel artifact removal algorithm improved discoverability of significant hits.•70 out of 97 discovered metabolites had significant concentration ratios (p < 0.05).•Most metabolites essential for fish nutrition were downregulated in farmed fish.
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关键词
Comprehensive two-dimensional gas chromatography,F-ratio,metabolomics,mass spectrometry,chemometrics
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