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PTR‐ToF‐MS characterisation of roasted coffees ( C. arabica ) from different geographic origins
Author(s) -
Yener Sine,
Romano Andrea,
Cappellin Luca,
Märk Tilmann D.,
Sánchez del Pulgar José,
Gasperi Flavia,
Navarini Luciano,
Biasioli Franco
Publication year - 2014
Publication title -
journal of mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.475
H-Index - 121
eISSN - 1096-9888
pISSN - 1076-5174
DOI - 10.1002/jms.3455
Subject(s) - chemistry , principal component analysis , linear discriminant analysis , aroma , chemometrics , mass spectrometry , chromatography , coffea arabica , pattern recognition (psychology) , food science , artificial intelligence , computer science , botany , biology
Characterisation of coffees according to their origins is of utmost importance for commercial qualification. In this study, the aroma profiles of different batches of three monoorigin roasted Coffea arabica coffees (Brazil, Ethiopia and Guatemala) were analysed by Proton‐Transfer‐Reaction‐Time of Flight‐Mass Spectrometry (PTR‐ToF‐MS). The measurements were performed with the aid of a multipurpose autosampler. Unsupervised and supervised multivariate data analysis techniques were applied in order to visualise data and classify the coffees according to origin. Significant differences were found in volatile profiles of coffees. Principal component analysis allowed visualising a separation of the three coffees according to geographic origin and further partial least square regression‐discriminant analysis classification showed completely correct predictions. Remarkably, the samples of one batch could be used as training set to predict geographic origin of the samples of the other batch, suggesting the possibility to predict further batches in coffee production by means of the same approach. Tentative identification of mass peaks aided characterisation of aroma fractions. Classification pinpointed some volatile compounds important for discrimination of coffees. Copyright © 2014 John Wiley & Sons, Ltd.