Monitoring In vitro and In vivo aroma release of espresso coffees with Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry

This work presents in vitro and in vivo aroma release analysis of three espresso coffees carried out by PTR-ToF-MS headspace and nosespace analysis, respectively. The products were C. arabica coffees prepared using an espresso coffee machine: a low-caffeine C. arabica var. laurina light roast, a low-caffeine C. arabica var. laurina dark roast, and a single-origin coffee from Ethiopia which were roasted to a medium roast degree. Headspace analysis allowed for discrimination between coffees with a prediction accuracy of 92% or higher. Relevant discriminating compounds were related to the roasting degree and varietal compounds. Coffee nosespace consisted of 35 mass peaks overall. Despite this relatively low number of detected peaks, coffee discrimination was still possible with ≥93% accuracy. The compounds most relevant to the discrimination were those related to the roasting degree. Major differences—both qualitative and quantitative—were found between headspace and nosespace profiles