Irrigated and CO2 Level Effects on Metabolism in Coffea arabica Beans from Mixture Design – Near Infrared Fingerprints

•A new strategy using Near-Infrared spectroscopy was used to discriminate raw bean extracts of Coffea arabica.•This strategy is useful when direct NIR measurements on raw beans are not successful.•The effects of atmospheric carbon dioxide and irrigation on NIR fingerprints of C. arabica beans were obtained by a statistical mixture design.•Ethanol and binary Ethanol/Dichloromethane solvents resulted in better bean discrimination owing to increased atmospheric CO2 levels.•The association of statistical mixture design and NIR spectroscopy proved to be a fast and inexpensive tool for controlled system analysis.