LipidQMap

LipidQMap applies one-point calibration to process omics-scale quantitative mass spectrometry imaging (qMSI) lipidomics data, normalizing annotated lipid signals against class-specific standards on a pixel-by-pixel basis to generate concentration heat maps in pmol/mm2.

Key Features:

• One-point calibration: Normalizes annotated lipid signals against class-specific standards on a pixel-by-pixel basis.
• Concentration heat map generation: Produces spatial concentration maps in pmol/mm2.
• Centroided data import: Supports import of centroided mass spectrometry imaging data.
• Recalibration: Performs mass recalibration of imaging data.
• Lipid identification: Identifies lipids using a built-in, user-modifiable lipid database.
• Na/H adduct isobaric overlap resolution: Resolves sodium/hydrogen adduct isobaric overlaps by leveraging sodiated-to-protonated adduct ratios of standards.
• Type II isobaric overlap correction: Corrects type II isobaric overlaps using predicted isotopic patterns.
• Cross-platform validation: Validated across several MSI platforms using mouse brain sections.
• Data harmonization: Harmonizes qMSI data across different MSI platforms for more accurate and reproducible spatial lipid quantification.

Scientific Applications:

• Spatial lipid quantification: Enables accurate and reproducible quantitative mapping of lipid distributions in tissue sections.
• Quantitative mass spectrometry imaging: Processes omics-scale qMSI lipidomics data for basic and clinical research applications.
• Cross-platform lipidomics: Harmonizes quantitative lipid imaging data acquired from different mass spectrometry imaging platforms.

Methodology:

LipidQMap applies one-point calibration normalizing annotated lipid signals against class-specific standards on a pixel-by-pixel basis. Na/H adduct isobaric overlaps are resolved by leveraging sodiated-to-protonated adduct ratios of standards. Type II isobaric overlaps are corrected using predicted isotopic patterns.