HS-SPME-GC-MS combined with metabolomic approach to discriminate volatile compounds of Brazilian coffee from different geographic origins

Coffee, primarily the Coffea arabica variety, is a significant agricultural product in Brazil, well-known for its flavor, which is intimately tied to its chemical composition. In this study, we assessed the volatile compounds found in arabica coffee beans from various Brazilian regions using headspace solid-phase microextraction coupled with gas chromatography-mass spectrometry (HS-SPME-GC-MS). Mass spectra from these volatile compounds were cross-referenced with the NIST and WILEY libraries. Furthermore, the data obtained through GC-MS analysis were subjected to a metabolomics approach utilizing the MS-DIAL software. Principal component analysis (PCA) categorized the samples into three distinct groups, while Partial Least Squares (PLS) identified the volatile compounds responsible for the similarities and differences among these groups. Our findings revealed variations in the composition of volatile compounds based on the coffee's origin. Additionally, the results demonstrated that altitude plays a significant role in aroma composition, with higher altitudes associated with a more diverse and remarkable aroma, whereas lower altitudes were linked to a lower aroma quality.