Jamie Near1, Ivanhoe Leung2, Timothy Claridge2, Philip Cowen3, Peter Jezzard1
1FMRIB Centre, University of Oxford, Oxford, Oxfordshire, United Kingdom; 2Department of Chemistry, University of Oxford; 3Department of Psychiatry, University of Oxford, Oxford, Oxfordshire, United Kingdom
In this study, the proton chemical shifts and scalar coupling constants of the GABA spin system were estimated using automated consistency analysis of a 500 MHz, high-resolution 1H-NMR spectrum of GABA. The newly estimated chemical shifts and coupling constants were then compared with previously published values by generating simulated GABA spectra for each set of chemical shifts and coupling constants, and then comparing the simulated spectra with the experimental data. Compared with previously published values, the newly estimated couplings and chemical shifts resulted in the best fit between simulated and experimental data.