A sulfatide-centered ultra-high resolution magnetic resonance MALDI imaging benchmark dataset for MS1-based lipid annotation tools

This record contains MALDI imaging raw data of tissue sections (kidney). We provide two sulfatide-centered, biology-driven magnetic resonance MSI (MR-MSI) datasets at different mass resolving powers of lipids in a mouse-model of human metachromatic leucodystrophy. The data includes an ultra-high resolution quantum cascade laser mid-infrared imaging-guided MR-MSI dataset and a high-resolution whole tissue section MALDI MSI dataset of n=4 biological replicates each. MSI data was acquired on a solariX 7T XR Fourier Transform Ion Cyclotron Resonance (FT-ICR) MS (Bruker Daltonics, Bremen, Germany). ). Mass spectra were acquired in negative ion mode (m/z range 401.29–2600) and data acquisition size of 8 M, resulting in a free induction decay (FID) time of 15.7s according to and a mass resolving power of 1,230,000 at m/z 800. Reducing the number of data points in the time domain to 512k resulted in an FID time of 0.98 s and a mass resolving power of R~77,000. Further information is available from the corresponding author upon request or available via related works (see additional details).