Methylsulfonylmethane (MSM): A chemical shift reference for 1H MRS of human brain

Purpose We investigate the potential of a common dietary supplement, methylsulfonylmethane (MSM), to act as a chemical shift reference for in vivo 1H MR spectroscopy (MRS). The scope of the investigation is 2‐fold: (1) We use high‐resolution nuclear MR (NMR) measurements of the chemical shift values of MSM to establish the stability of MSM resonance across the ranges of pH and temperature, and (2) we demonstrate MR properties of MSM in the healthy human brain. Methods The relationship of chemical shift with temperature and pH is examined using high‐resolution 1H NMR (14.1T) spectra of MSM in aqueous solution. MSM concentration in human brain tissue was measured as a function of time, together with the relaxation properties in the brain using 1H MRS at 3T. Results The chemical shift of MSM remains stable in the range of the biologically relevant temperatures and pH values. The chemical shift at pH = 7.2 and 37°C was measured to be 3.142 ppm (relative to DSS, a common water‐soluble NMR reference compound). Time course in the brain tissue in vivo confirmed an observable MSM signal 10 minutes after oral intake and a stable signal intensity within a ~3‐hour window. Conclusion The chemical and biological properties of MSM—rapid crossing of the blood–brain barrier, water solubility, a singlet resonance resolved from metabolite resonances, chemical shift stability with respect to pH/temperature, and stable temporal presence in the brain—lead us to propose its use as a frequency reference for MRS.