| Title: | The Chemistry of Green and Roasted Coffee by Selectable 1D/2D Gas Chromatography Mass Spectrometry with Spectral Deconvolution |
| Author(s): | Frost SC; Walker P; Orians CM; Robbat A; |
| Address: | "Department of Biology, Tufts University, Medford, MA 02155, USA. Department of Chemistry, Tufts University, Medford, MA 02155, USA" |
| DOI: | 10.3390/molecules27165328 |
| ISSN/ISBN: | 1420-3049 (Electronic) 1420-3049 (Linking) |
| Abstract: | "Gas chromatography/mass spectrometry (GC/MS) is a long-standing technique for the analysis of volatile organic compounds (VOCs). When coupled with the Ion Analytics software, GC/MS provides unmatched selectivity in the analysis of complex mixtures and it reduces the reliance on high-resolution chromatography to obtain clean mass spectra. Here, we present an application of spectral deconvolution, with mass spectral subtraction, to identify a wide array of VOCs in green and roasted coffees. Automated sequential, two-dimensional GC-GC/MS of a roasted coffee sample produced the retention index and spectrum of 750 compounds. These initial analytes served as targets for subsequent coffee analysis by GC/MS. The workflow resulted in the quantitation of 511 compounds detected in two different green and roasted coffees. Of these, over 100 compounds serve as candidate differentiators of coffee quality, AAA vs. AA, as designated by the Coopedota cooperative in Costa Rica. Of these, 72 compounds survive the roasting process and can be used to discriminate green coffee quality after roasting" |
| Keywords: | *Coffee/chemistry Gas Chromatography-Mass Spectrometry/methods Mass Spectrometry *Volatile Organic Compounds/analysis 2d-gc/ms Gc/ms coffee coffee quality deconvolution green coffee; |
| Notes: | "MedlineFrost, Scott C Walker, Paige Orians, Colin M Robbat, Albert Jr eng 2020-67034-32163/National Institute of Food and Agriculture/ Switzerland 2022/08/27 Molecules. 2022 Aug 21; 27(16):5328. doi: 10.3390/molecules27165328" |
