Robust Simulation Of Imaging Mass Spectrometry Data

Abstract

Mass spectrometry imaging (MSI) with high resolution in mass and space is an analytical method that produces distributions of ions on a sample surface. The algorithms for preprocessing and analysis of the raw data acquired from a mass spectrometer should be evaluated. To do that, the ion composition at every point of the sample should be known. This is possible via the employment of a simulated MSI dataset. In this work, we suggest a pipeline for a robust simulation of MSI datasets that resemble real data with an option to simulate the spectra acquired from any mass spectrometry instrument through the use of the experimental MSI datasets to extract simulation parameters.