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

Jennifer Kyle | Zendy; Kevin L. Crowell | Zendy; Cameron Casey | Zendy; Grant M. Fujimoto | Zendy; Sangtae Kim | Zendy; Sydney Dautel | Zendy; Richard Smith | Zendy; Samuel Payne | Zendy; Thomas Metz | Zendy

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

Author(s) -

Jennifer Kyle,

Kevin L. Crowell,

Cameron Casey,

Grant M. Fujimoto,

Sangtae Kim,

Sydney Dautel,

Richard Smith,

Samuel Payne,

Thomas Metz

Publication year - 2017

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btx046

Subject(s) - lipidomics , open source , software , computer science , open source software , chromatography , chemistry , computational biology , biochemistry , biology , programming language

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.

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