title: The potential of ion mobility spectrometry (IMS) for detection of 2,4,6-trichloroanisole (2,4,6-TCA) in wine.
abstract: The off-flavor of "tainted wine" is attributed mainly to the presence of 2,4,6-trichloroanisole (2,4,6-TCA) in the wine. In the present study the atmospheric pressure gas-phase ion chemistry, pertaining to ion mobility spectrometry, of 2,4,6-trichloroanisole was investigated. In positive ion mode the dominant species is a monomer ion with a lower intensity dimer species with reduced mobility values (K(0)) of 1.58 and 1.20 cm(2)V(-1) s(-1), respectively. In negative mode the ion with K(0) =1.64 cm(2)V(-1)s(-1) is ascribed to a trichlorophenoxide species while the ions with K(0) =1.48 and 1.13 cm(2)V(-1)s(-1) are attributed to chloride attachment adducts of a TCA monomer and dimer, respectively. The limit of detection of the system for 2,4,6-TCA dissolved in dichloromethane deposited on a filter paper was 2.1 μg and 1.7 ppm in the gas phase. In ethanol and in wine the limit of detection is higher implying that pre-concentration and pre-separation are required before IMS can be used to monitor the level of TCA in wine.
authors.affiliation: 3QBD, Arad, Israel, and Chemistry Department, Nuclear Research Center, Negev, Beer-Sheva, Israel.
authors.forename: Zeev
authors.initials: Z
authors.lastname: Karpas
authors.forename: Ana V
authors.initials: AV
authors.lastname: Guamán
authors.forename: Daniel
authors.initials: D
authors.lastname: Calvo
authors.forename: Antonio
authors.initials: A
authors.lastname: Pardo
authors.forename: Santiago
authors.initials: S
authors.lastname: Marco
mesh_terms: D000840:Anisoles / Q000032:analysis*; D001274:Atmospheric Pressure; D002138:Calibration; D000431:Ethanol / Q000737:chemistry; D005504:Food Analysis / Q000379:methods*; D005740:Gases / Q000737:chemistry; D057230:Limit of Detection; D008752:Methylene Chloride / Q000737:chemistry; D013057:Spectrum Analysis / Q000379:methods*; D014920:Wine / Q000032:analysis*
chemical_list: D000840:Anisoles; D005740:Gases; C110228:2,4,6-trichloroanisole; D000431:Ethanol; D008752:Methylene Chloride