A lipidome atlas in MS-DIAL 4

Area of Science:

• Biochemistry
• Analytical Chemistry
• Bioinformatics

Background:

• Lipidomics is crucial for understanding biological processes.
• Standardized data analysis is needed for reliable lipid identification and quantification.
• Existing tools lack comprehensive spectral and ion mobility data.

Purpose of the Study:

• To introduce MS-DIAL 4, an advanced software for lipidomics analysis.
• To create a comprehensive lipidome atlas incorporating diverse analytical data.
• To improve the standardization and discoverability of lipid pathways.

Main Methods:

• Development of MS-DIAL 4 software.
• Formulation of mass spectral fragmentations for 117 lipid subclasses.
• Integration of ion mobility tandem mass spectrometry data.
• Annotation and semiquantification of lipids using biological samples (human, murine, algal, plant).

Main Results:

• MS-DIAL 4 provides a lipidome atlas with retention time, collision cross-section, and tandem mass spectrometry information.
• Successfully annotated and semiquantified 8,051 lipids across human, murine, algal, and plant samples.
• Achieved a 1-2% estimated false discovery rate for lipid identification.
• Demonstrated the software's utility in standardizing lipidomics data.

Conclusions:

• MS-DIAL 4 enhances lipidomics data standardization and facilitates lipid pathway discovery.
• The integrated atlas and advanced analytical features improve lipid identification accuracy.
• This software is a valuable resource for researchers in lipidomics and related fields.