LIQUID: an-open source software for identifying lipids in LC-MS/MS-based lipidomics data

Journal Article · Mon Jan 30 23:00:00 EST 2017 · Bioinformatics

DOI:https://doi.org/10.1093/bioinformatics/btx046· OSTI ID:1368114

Kyle, Jennifer E.; Crowell, Kevin L.; Casey, Cameron P.; Fujimoto, Grant M.; Kim, Sangtae; Dautel, Sydney E.; Smith, Richard D.; Payne, Samuel H.; Metz, Thomas O.

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.

• Research Organization: Pacific Northwest National Laboratory (PNNL), Richland, WA (US), Environmental Molecular Sciences Laboratory (EMSL)
• Sponsoring Organization: USDOE
• DOE Contract Number: AC05-76RL01830
• OSTI ID: 1368114
• Report Number(s): PNNL-SA-118436; 48199; WN9030198
• Journal Information: Bioinformatics, Journal Name: Bioinformatics Journal Issue: 11 Vol. 33; ISSN 1367-4803
• Publisher: Oxford University Press
• Country of Publication: United States
• Language: English

Related Subjects

Environmental Molecular Sciences Laboratory