Journal
BIOINFORMATICS
Volume 33, Issue 11, Pages 1744-1746Publisher
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/btx046
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Funding
- National Institute of Allergy and Infectious Diseases [U19AI106772]
- Department of Energy (DOE), Office of Biological and Environmental Research (OBER), Genomic Science Program, under the Pacific Northwest National Laboratory (PNNL) Pan-omics
- U.S. DOE
- DOE [DE-AC05-76RLO 1830]
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We introduce an open-source software, LIQUID, for semi-automated processing and visualization of LC-MS/MS-based lipidomics data. LIQUID provides users with the capability to process high throughput data and contains a customizable target library and scoring model per project needs. The graphical user interface provides visualization of multiple lines of spectral evidence for each lipid identification, allowing rapid examination of data for making confident identifications of lipid molecular species. LIQUID was compared to other freely available software commonly used to identify lipids and other small molecules (e.g. CFM-ID, MetFrag, GNPS, LipidBlast and MS-DIAL), and was found to have a faster processing time to arrive at a higher number of validated lipid identifications. Supplementary information: Supplementary data are available at Bioinformatics online.
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