LIQUID

LIQUID identifies lipid molecular species from liquid chromatography-tandem mass spectrometry (LC-MS/MS) lipidomics data to enable high-throughput, accurate lipid profiling.

Key Features:

• Semi-Automated Processing: Automates multiple steps of high-throughput LC-MS/MS lipid data processing to reduce manual intervention.
• Customizable Target Library and Scoring Model: Supports user-customizable target libraries and scoring models for project-specific lipid identification.
• Spectral Evidence Visualization: Integrates multiple lines of spectral evidence visualization for each lipid identification.
• Spectral Data Processing and Integration: Performs spectral data processing and integrates outputs with visualization components.
• Performance Benchmarking: Has been benchmarked against CFM-ID, MetFrag, GNPS, LipidBlast, and MS-DIAL, reporting faster processing times and a higher number of validated lipid identifications.
• Workflow Compatibility: Architecture accommodates diverse lipidomics experimental setups and workflows.

Scientific Applications:

• Comprehensive Lipid Profiling: Enables identification and characterization of lipid molecular species in complex samples.
• Large-Scale Data Analysis: Supports processing of high-throughput LC-MS/MS lipidomics datasets.
• Clinical Studies: Applicable to lipidomic investigations in clinical research contexts.
• Metabolic Research: Facilitates lipid identification in studies of metabolism.
• Systems Biology: Supports integration of lipidomics data into systems-level biological analyses.

Methodology:

Semi-automated processing of LC-MS/MS spectral data with customizable target libraries and scoring models, integration of spectral data processing with visualization, and benchmarking against CFM-ID, MetFrag, GNPS, LipidBlast, and MS-DIAL.