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Abstract
The previously developed and optimized headspace solid-phase microextraction (HS-SPME)-GC-time-of-flight
(TOF) MS analytical method for the determination of compounds with a wide range of
polarities and volatilities was successfully used in this study to characterize and
classify a large set of ice wines according to their origin, grape variety and oak
or stainless steel fermentation/ageing conditions, based on a statistical evaluation
(principal component analysis (PCA)) of the measured data. More than 130 ice wine
samples collected directly from Canadian and Czech wine producers were analyzed in
this study. The SPME step was beneficially carried out utilizing the new-generation
super elastic divinylbenzene/Carboxen/polydimethylsiloxane (DVB/CAR/PDMS) 50 microm/30
microm fiber assembly. One fiber was used for the whole sequence of ice wine samples,
control and blank experiments, which consisted of more than 600 individual extraction/injection
cycles. Utilizing the high-speed TOF analyzer, full spectral information within the
range of 35-450 u was collected for the entire GC run (as short as 4.5 min) without
compromising in the detection sensitivity, as compared to other scanning mass analyzers
operated in selected ion monitoring or MS(n) mode to achieve similar sensitivity.
The identification of analytes was performed by a combination of the linear temperature-programmed
retention index (LTPRI) approach with the comparison of the obtained spectra with
three libraries included in the ChromaTOF software. A total of 201 peaks were tentatively
assigned as ice wine aroma components and 58 of those compounds were evaluated in
all of the examined samples.