The authors of this paper (open access) used Fourier-Transform Ion-Cyclotron Resonance Mass Spectrometry (FT-ICR) to accurately profile and classify thousands of chemical components within different types of coffee. They are making their list of components publicly available alongside the paper.
Their reference set of 130 coffees were purchased at market, rather than being of traceable origin, but were verified by documentation from the manufacturers along with morphological examination and classification using the German standard NMR method.
From this list of markers, the authors investigated those with the potential to discriminate based on the complex Maillard reactions of roasting processes and those that could discriminate coffee varieties. They propose a group of 25 tryptophan conjugates of hydroxycinnamic acids that could be measured by conventional high-resolution LC-MS and used as specific markers for rustica coffee vs arabica.
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