GC-HRMS \".cdf\" files available from coffee samples used in the study named \"PREDICTION OF COFFEE PROPERTIES USING GAS CHROMATOGRAPHY COUPLED TO HIGH RESOLUTION MASS SPECTROMETRY AND MASS SPECTRUM-ORIENTED CHEMOMETRICS\"

GC-HRMS \".cdf\" files available from 118 coffee samples used in the study named \"PREDICTION OF COFFEE PROPERTIES USING GAS CHROMATOGRAPHY COUPLED TO HIGH RESOLUTION MASS SPECTROMETRY AND MASS SPECTRUM-ORIENTED CHEMOMETRICS\". Experiments were performed on a TRACE 1310 gas chromatograph coupled to an Q Exactive FT-Orbitrap mass spectrometer (ThermoFisher Scientific). Capillary column: 60 m × 0.25 mm-i.d. (film thickness of 0.25 µm) Rxi-5SilMS (Restek Corporation). Helium was used as carrier gas at a constant flow rate of 1.2 mL/min. Analyte ionization was performed by electron ionization (EI) at 70 eV. Mass range from m/z 50 to 400. Xcalibur software (ThermoFisher Scientific) was used for data acquisition.