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Dimethyl sulfone in human cerebrospinal fluid and blood plasma confirmed by one‐dimensional 1H and two‐dimensional 1H‐13C NMR

1H‐NMR spectroscopy at 500 MHz was used to confirm that a previously unidentified singlet resonance at 3.14 ppm in the spectra of cerebrospinal fluid and plasma samples corresponds to dimethyl sulfone (DMSO2). A triple resonance inverse cryogenic NMR probe, with pre‐amplifier and the RF‐coils cooled to low temperature, was used to obtain an 1H‐13C HSQC spectrum of CSF containing 8 µM (753 ng/ml) DMSO2. The 1H‐13C correlation signal for DMSO2 was assigned by comparison with the spectrum from an authentic reference sample. In plasma and CSF from healthy controls, the concentration of DMSO2 ranged between 0 and 25 µmol/l. The concentration of DMSO2 in plasma from three of four patients with severe methionine adenosyltransferase I/III (MAT I/III) deficiency was about twice the maximum observed for controls. Thus, DMSO2 occurs as a regular metabolite at low micromolar concentrations in cerebrospinal fluid and plasma. It derives from dietary sources, from intestinal bacterial metabolism and from human endogenous methanethiol metabolism. Copyright © 2005 John Wiley & Sons, Ltd.