massPix

massPix processes and analyzes mass spectrometry imaging (MSI) datasets in R to support spatial lipidomics by generating single ion images, performing multivariate analyses (PCA, k-means), and providing putative lipid annotation via accurate mass matching to lipid libraries.

Key Features:

• Single Ion Image Production: Generates single ion images to visualize spatial distributions of specific ions in tissue samples.
• Multivariate Statistical Analysis: Performs principal components analysis (PCA) and k-means clustering for multivariate exploration and classification of spectral data.
• Putative Lipid Annotation: Provides putative lipid annotations by matching accurate mass measurements against generated lipid libraries.
• Tissue Region Classification: Classifies tissue regions based on spectral similarity to support spatial segmentation and comparison.

Scientific Applications:

• Spatial Lipidomics Mapping: Maps spatial distributions of lipids within biological tissues to characterize lipid organization.
• Tissue-Specific Lipid Profiling: Supports profiling of lipid composition across distinct tissue regions.
• Biomarker Discovery: Identifies spatially resolved lipid signatures that can serve as candidate biomarkers.
• Metabolic Pathway and Disease Investigation: Facilitates investigation of metabolic pathways and disease mechanisms through spatial lipid analysis.

Methodology:

Generates ion images, applies principal components analysis (PCA) and k-means clustering for spectral classification, and matches accurate mass data against generated lipid libraries.