title: Analysis of volatile thiols in alcoholic beverages by simultaneous derivatization/extraction and liquid chromatography-high resolution mass spectrometry.
abstract: A simultaneous derivatization/extraction method followed by liquid chromatography-electrospray-high resolution mass spectrometry for the determination of volatile thiols in hydroalcoholic matrixes was optimized and used to identify and quantify volatile thiols in wine and beer samples. The method was evaluated in terms of sensitivity, precision, accuracy and selectivity. The experimental LOQs of eleven thiols tested ranged between 0.01 ng/L and 10 ng/L. Intra-day relative standard deviation (RSD) was in general lower than 10% and inter-day RSD ranged between 10% and 30%. Recovery in the model and real matrixes ranged from 45% to 129%. The method was then applied for the analysis of four white wines and six beers. Five out of the eleven reference thiols were identified and quantified in the samples analyzed. The non-target approach, carried out by monitoring the diagnostic ion at m/z 275.9922 [C13H10ONSe](+) in the fragmentation spectrum, allowed detecting, in the same samples, fourteen non-target thiols.
authors.affiliation: Food Science and Nutrition Department, XaRTA (Catalonian Reference Network on Food Technology), University of Barcelona, Food and Nutrition Torribera Campus, Av. Prat de la Riba, 171, 08921 S.ta Coloma de Gramenet, Spain. Electronic address: stefaniavichi@ub.edu.
authors.forename: Stefania
authors.initials: S
authors.lastname: Vichi
authors.affiliation: Food Science and Nutrition Department, XaRTA (Catalonian Reference Network on Food Technology), University of Barcelona, Food and Nutrition Torribera Campus, Av. Prat de la Riba, 171, 08921 S.ta Coloma de Gramenet, Spain.
authors.forename: Nuria
authors.initials: N
authors.lastname: Cortés-Francisco
authors.affiliation: Mass Spectrometry Laboratory/Organic Pollutants, IDAEA-CSIC, Jordi Girona, 18-26, 08034 Barcelona, Spain.
authors.forename: Josep
authors.initials: J
authors.lastname: Caixach
mesh_terms: D000434:Alcoholic Beverages / Q000032:analysis*; D002853:Chromatography, Liquid / Q000379:methods*; D013438:Sulfhydryl Compounds / Q000032:analysis / Q000737:chemistry*; D053719:Tandem Mass Spectrometry / Q000379:methods*; D014835:Volatilization
chemical_list: D013438:Sulfhydryl Compounds
keywords: Beer; Derivatization; HRMS/MS; High resolution mass spectrometry (HRMS); Orbitrap; Thiols; Wine