Abstract
A detailed compilation of
1
H‐NMR chemical shift (
δ
) and coupling constant (
J
) values of 38 low‐molecular‐weight metabolites, found in mammalian brain at physiological or pathological conditions, is presented. These metabolites are detectable using in vivo
1
H magnetic resonance spectroscopy techniques and include energy metabolites (sources, intermediaries, and products), essential and nonessential amino acids, excitatory and inhibitory neurotransmitters, neuro‐modulators, and phospholipid membrane precursors and break‐down products. The values of
δ
and
J
were measured from high‐field NMR data of aqueous solutions of each metabolite acquired at typical physiological temperature and pH conditions. The spectral parameter values (
δ
,
J
) may be used to identify metabolites from their resonances in in vivo spectra, to simulate metabolite spectra or to generate basis functions (i.e., amplitude, frequency, and phase) for spectral fitting, and to optimize parameters in data acquisition sequences in order to improve metabolite quantitation or selectively edit different spectral components.
