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J Chromatogr A

Title:		Comprehensive comparative compositional study of the vapour phase of cigarette mainstream tobacco smoke and tobacco heating product aerosol
Author(s):		Savareear B; Escobar-Arnanz J; Brokl M; Saxton MJ; Wright C; Liu C; Focant JF;
Address:		"Centre for Analytical Research and Technologies (CART), University of Liege, Belgium. Research and Development, British American Tobacco, Southampton, UK. Centre for Analytical Research and Technologies (CART), University of Liege, Belgium. Electronic address: JF.Focant@uliege.be"
Journal Title:		J Chromatogr A
Year:		2018
Volume:		20181019
Issue:
Page Number:		105 - 115
DOI:		10.1016/j.chroma.2018.10.035
ISSN/ISBN:		1873-3778 (Electronic) 0021-9673 (Linking)
Abstract:		"A simple direct sample collection/dilution and introduction method was developed using quartz wool and Tenax/sulficarb sorbents for thermal desorption and comprehensive two-dimensional gas chromatography (TD-GC x GC) analyses of volatile organic compounds from vapour phase (VP) fractions of aerosol produced by tobacco heating products (THP1.0) and 3R4F mainstream tobacco smoke (MTS). Analyses were carried out using flame ionisation detection (FID) for semi-quantification and both low and high resolution time-of-flight mass spectrometry (LR/HR-TOFMS) for qualitative comparison and peak assignment. Qualitative analysis was carried out by combining identification data based on linear retention indices (LRIs) with a match window of +/-10 index units, mass spectral forward and reverse library searches (from LR and HRTOFMS spectra) with a match factor threshold of >700 (both forward and reverse), and accurate mass values of +/- 3 ppm for increased confidence in peak identification. Using this comprehensive approach of data mining, a total of 79 out of 85 compounds and a total of 198 out of 202 compounds were identified in THP1.0 aerosol and in 3R4F MTS, respectively. Among the identified analytes, a set of 35 compounds was found in both VP sample types. Semi-quantitative analyses were carried out using a chemical class-based external calibration method. Acyclic, alicyclic, aromatic hydrocarbons and ketones appeared to be prominent in 3R4F MTS VP, whereas larger amounts of aldehydes, ketones, heterocyclic hydrocarbons and esters were present in THP1.0 aerosol VP. The results demontsrate the capability and versatility of the method for the characterization and comparison of complex aerosol samples and highlighted the relative chemical simplicity of THP1.0 aerosol in comparison to MTS"
Keywords:		"Aerosols/*chemistry Chemistry Techniques, Analytical/*methods Gases/analysis Heating Smoke/*analysis Tobacco/*chemistry Tobacco Products/analysis Volatile Organic Compounds/analysis Comprehensive two-dimensional gas chromatography High resolution time-of-;"
Notes:		"MedlineSavareear, Benjamin Escobar-Arnanz, Juan Brokl, Michal Saxton, Malcolm J Wright, Chris Liu, Chuan Focant, Jean-Francois eng Netherlands 2018/11/21 J Chromatogr A. 2018 Dec 21; 1581-1582:105-115. doi: 10.1016/j.chroma.2018.10.035. Epub 2018 Oct 19"