LipidQuant 1.0: automated data processing in lipid class separation–mass spectrometry quantitative workflows

Abstract Summary We present the LipidQuant 1.0 tool for automated data processing workflows in lipidomic quantitation based on lipid class separation coupled with high-resolution mass spectrometry. Lipid class separation workflows, such as hydrophilic interaction liquid chromatography or supercritic...

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Bibliographic Details
Published in:Bioinformatics 2021-12, Vol.37 (23), p.4591-4592
Main Authors: Wolrab, Denise, Cífková, Eva, Čáň, Pavel, Lísa, Miroslav, Peterka, Ondřej, Chocholoušková, Michaela, Jirásko, Robert, Holčapek, Michal
Format: Article
Language:English
Subjects:
Chromatography, Liquid
Humans
Lipidomics
Lipids - analysis
Mass Spectrometry - methods
Workflow
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Summary:Abstract Summary We present the LipidQuant 1.0 tool for automated data processing workflows in lipidomic quantitation based on lipid class separation coupled with high-resolution mass spectrometry. Lipid class separation workflows, such as hydrophilic interaction liquid chromatography or supercritical fluid chromatography, should be preferred in lipidomic quantitation due to the coionization of lipid class internal standards with analytes from the same class. The individual steps in the LipidQuant workflow are explained, including lipid identification, quantitation, isotopic correction and reporting results. We show the application of LipidQuant data processing to a small cohort of human serum samples. Availability and implementation The LipidQuant 1.0 is freely available at Zenodo https://doi.org/10.5281/zenodo.5151201 and https://holcapek.upce.cz/lipidquant.php. Supplementary information Supplementary data are available at Bioinformatics online.
ISSN:1367-4803
1460-2059
1367-4811
DOI:10.1093/bioinformatics/btab644