Integration of signals (including resonances) into one-dimensional spectra obtained by in situ qualitative magnetic resonance spectroscopy

Abstract

Using nuclear magnetic resonance spectroscopy in order to determine quantitavely the compounds present in food ingredients or in food calls for the integration of resonances that are sometimes distorted, in spectra whose baseline can be imperfect, especially with in situ analyses, for which there is no preparation of samples. Commercial softwares for NMR spectra treatements give very different results even for resonances that are isolated. Here we present spreadsheets (given in Supplementary Materials) that integrate automatically signals without imposing any arbitrary choice of integration limits and explaining the details of calculations being made.