MALDI-MRS-SHY: Statistical Heterospectroscopy of MALDI Imaging and Magnetic Resonance Spectroscopy

Motivation: Combining high-resolution (HR) magnetic resonance spectroscopy (MRS) and matrix-assisted laser desorption/ionization (MALDI) imaging of tissues and cells using new workflows and data analysis approaches will further advance metabolomic and lipidomic studies. Goal(s): The goal is to develop Statistical Heterospectroscopy (SHY) of 1H-HR-MRS and MALDI imaging data of tissues and cells. Approach: Phantoms, cell lines, and tumors were measured by 1H-HR-MRS and MALDI imaging, followed by analysis with newly developed MATLAB-based software for statistical correlation of both datasets. Results: The new MALDI-MRS-SHY software correctly generated two-dimensional spectra with cross-peaks from phantoms of pure compounds and mixtures, as well as cell lines and tumor tissues. Impact: The newly developed MALDI-MRS-SHY software will allow for a deeper analysis of complex metabolomic and lipidomic data obtained by combined HR-MRS and MALDI imaging of cells and tissues.