RATIONALE: The major objective of this exploratory study was to implement selected ion flow tube mass spectrometry, SIFT-MS, as a method for the on-line quantification of the volatile organic compounds, VOCs, in the headspace of the ground roasted coffee. METHODS: The optimal precursor ions and characteristic analyte ions were selected for real-time SIFT-MS quantification of those VOCs that are the most abundant in the headspace or known to contribute to aroma. NO+ reagent ion reactions were exploited for most of the VOC analyses. VOC identifications were confirmed using gas chromatography/mass spectrometry, GC/MS, coupled with solid-phase microextraction, SPME. RESULTS: Thirty-one VOCs were quantified, including several alcohols, aldehydes, ketones, carboxylic acids, esters and some heterocyclic compounds. Variations in the concentrations of each VOC in the seven regional coffees were typically less than a factor of 2, yet concentrations patterns characteristic of the different regional coffees were revealed by heat map and principal component analyses. The coefficient of variation in the concentrations across the seven coffees was typically below 24% except for furfural, furan, methylfuran and guaiacol. CONCLUSIONS: The SIFT-MS analytical method can be used to quantify in real time the most important odoriferous VOCs in ground coffee headspace to sufficient precision to reveal some differences in concentration patterns for coffee produced in different countries.

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Recent developments and applications of selected ion flow tube mass spectrometry (SIFT-MS)