Using MetaboAnalyst 5.0 Part I: Optimizing parameters for LC-HRMS spectra processing

Abstract Liquid-chromatography coupled with high-resolution mass spectrometry (LC-HRMS) has become a workhorse in global metabolomics studies with growing applications across biomedical and environmental sciences. However, outstanding bioinformatics challenges in terms of data processing, statistical analysis and functional interpretation remain critical barriers to the wider adoption of this technology. To help the user community overcome these barriers, we have made major updates to the well-established MetaboAnalyst platform (www.metaboanalyst.ca). This protocol is part one of four and provides stepwise instructions on how to use MetaboAnalyst to optimize parameters for LC-HRMS spectra processing. It may take ~2 hours to complete depending on the server load.