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

ABSTRACT: 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.

SUBMITTER: Bond NJ

PROVIDER: S-EPMC5608769 | biostudies-literature | 2017

REPOSITORIES: biostudies-literature

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<i>massPix</i>: an R package for annotation and interpretation of mass spectrometry imaging data for lipidomics.

Bond Nicholas J NJ Koulman Albert A Griffin Julian L JL Hall Zoe Z

Metabolomics : Official journal of the Metabolomic Society 20170921 11

<h4>Introduction</h4>Mass spectrometry imaging (MSI) experiments result in complex multi-dimensional datasets, which require specialist data analysis tools.<h4>Objectives</h4>We have developed <i>massPix-</i>an R package for analysing and interpreting data from MSI of lipids in tissue.<h4>Methods</h4><i>massPix</i> produces single ion images, performs multivariate statistics and provides putative lipid annotations based on accurate mass matching against generated lipid libraries.<h4>Results</h4> ...[more]

PMID: 28989334

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