Premium
Quantification of volatile compounds released by roasted coffee by selected ion flow tube mass spectrometry
Author(s) -
Dryahina Kseniya,
Smith David,
Španěl Patrik
Publication year - 2018
Publication title -
rapid communications in mass spectrometry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.528
H-Index - 136
eISSN - 1097-0231
pISSN - 0951-4198
DOI - 10.1002/rcm.8095
Subject(s) - chemistry , chromatography , mass spectrometry , aroma , furfural , volatile organic compound , ion mobility spectrometry , gas chromatography–mass spectrometry , solid phase microextraction , analyte , dimethyl trisulfide , organic chemistry , food science , sulfur , dimethyl disulfide , catalysis
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.