LipidQuant 1.0: automated data processing in lipid class separation-mass spectrometry quantitative workflows
Language English Country England, Great Britain Media print
Document type Journal Article, Research Support, Non-U.S. Gov't
PubMed
34498026
DOI
10.1093/bioinformatics/btab644
PII: 6366545
Knihovny.cz E-resources
- MeSH
- Chromatography, Liquid MeSH
- Mass Spectrometry methods MeSH
- Humans MeSH
- Lipidomics * MeSH
- Lipids * analysis MeSH
- Workflow MeSH
- Check Tag
- Humans MeSH
- Publication type
- Journal Article MeSH
- Research Support, Non-U.S. Gov't MeSH
- Names of Substances
- Lipids * MeSH
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.
References provided by Crossref.org
Ozone-enabled fatty acid discovery reveals unexpected diversity in the human lipidome
Lipidomic profiling of human serum enables detection of pancreatic cancer
