massPix: an R package for annotation and interpretation of mass spectrometry imaging data for lipidomics

Introduction Mass spectrometry imaging (MSI) experiments result in complex multi-dimensional datasets, which require specialist data analysis tools. Objectives We have developed massPix— an R package for analysing and interpreting data from MSI of lipids in tissue. Methods massPix produces single ion images, performs multivariate statistics and provides putative lipid annotations based on accurate mass matching against generated lipid libraries. Results Classification of tissue regions with high spectral similarly can be carried out by principal components analysis (PCA) or k -means clustering. Conclusion massPix is an open-source tool for the analysis and statistical interpretation of MSI data, and is particularly useful for lipidomics applications.