Authentication of saffron using 60 MHz 1H NMR spectroscopy.

• 60 MHz benchtop NMR spectroscopy of characteristic metabolites in saffron. • Machine learning models can detect samples with anomalous composition. • Multiple compromised products were found in survey of purchased samples. 60 MHz proton NMR spectroscopy was used to analyse extracts from saffron spice and a range of potential adulterants and mixtures. Using a simple extraction procedure, good quality spectra were obtained which contain peaks from the characteristic metabolites picrocrocin and crocins, fatty acids and kaempferol. The spectra of samples from trusted suppliers were used to train one-class classification models by SIMCA, nearest neighbour and isolation forest methods. Applying these to spectra of saffron samples purchased from the online marketplace, it was found that 7 out of 33 samples were highly anomalous. From comparison with the spectra of known mixtures and confirmatory spectral analysis using 600 MHz NMR, it is probable that these contain considerable amounts of undisclosed foreign matter. [ABSTRACT FROM AUTHOR]