MetaboAnalyst 6.0: towards a unified platform for metabolomics data processing, analysis and interpretation.

Area of Science:

• Metabolomics
• Exposomics
• Bioinformatics

Background:

• Metabolomics studies generate complex data requiring robust analysis platforms.
• Liquid chromatography-mass spectrometry (LC-MS) is a primary technique for metabolomic data acquisition.
• Existing platforms may lack comprehensive support for advanced data types like MS2 and exposomics.

Purpose of the Study:

• To introduce MetaboAnalyst version 6.0, a unified platform for metabolomics and exposomics data.
• To enhance capabilities for processing and analyzing tandem mass spectrometry (MS2) data.
• To provide advanced tools for statistical, causal, and dose-response analyses in biological studies.

Main Methods:

• Integration of MS2 data processing and annotation using the asari algorithm and reference databases.
• Development of a new statistical module for complex experimental designs with multiple factors.
• Implementation of causal analysis using two-sample Mendelian randomization and dose-response analysis.

Main Results:

• MetaboAnalyst 6.0 now supports MS2 data processing and fragment-level annotation.
• Advanced statistical analysis for complex study designs is available.
• New modules enable causal inference between metabolites and phenotypes and benchmark dose calculations.

Conclusions:

• MetaboAnalyst 6.0 provides a comprehensive and unified solution for metabolomics and exposomics data analysis.
• The platform's new features, including MS2 support and advanced analytical modules, facilitate deeper biological insights.
• Enhanced visualization, updated databases, and expanded pathway analysis support improve the utility for researchers.