Robin A. de Graaf1, Golam M.I. Chowdhury1, Kevin L. Behar1
1Yale University, MRRC, New Haven, CT, United States
Quantification of high-resolution 1H[13C] (or POCE) NMR spectra poses a number of challenges that are not addressed by currently available spectral fitting algorithms. The challenges pertain to the presence of 13C isotope shifts, decoupling sidebands and the need for independent multiplet amplitudes due to differential 13C label accumulation. The spectral fitting algorithm presented here can quantitatively accommodate all features of 1H[13C] NMR and provides a robust method for the automated processing of fractional enrichments and concentrations from in vitro and in vivo 1H[13C] NMR spectra.