RT info:eu-repo/semantics/article T1 Determination of dichlobenil and its major metabolite (BAM) in onions by PTV–GC–MS using PARAFAC2 and experimental design methodology A1 Herrero Gutiérrez, Ana A1 Reguera Alonso, Celia A1 Ortiz Fernández, Mª Cruz A1 Sarabia Peinador, Luis Antonio K1 PTV–GC–MS K1 D-optimal design K1 Parallel factor analysis K1 Desirability function K1 Dichlobenil K1 SANCO/12495/2001 K1 Química analítica K1 Chemistry, Analytic AB The optimization of a GC–MS analytical procedure which includes derivatization, Quick Easy Cheap Effective Rugged and Safe (QuEChERS) and programmed temperature vaporization (PTV) using design of experiments is performed to determine 2,6-dichlorobenzonitrile (dichlobenil) and 2,6-dichlorobenzamide (BAM) in onions, using 3,5-dichlorobenzonitrile and 2,4-dichlorobenzamide as internal standards. The use of a central composite design and two D-optimal designs, together with the desirability function, makes it possible to significantly reduce the economic, time and environmental cost of the study. The usefulness of PARAFAC2 for solving problems as the interference of unexpected derivatization artifacts unavoidably linked to some derivatization agents, or the presence of coeluents from the complex matrix, which share m/z ratios with the target compounds, is shown. The limits of decision (CCα) of the optimized procedure, 5.00 μg kg− 1 for dichlobenil and 1.55 μg kg− 1 for BAM (α = 0.05), are below the maximum residue limit (MRL) established by the EU for dichlobenil (20 μg kg− 1) in this commodity. PB Elsevier SN 0169-7439 YR 2014 FD 2014-04 LK http://hdl.handle.net/10259/4257 UL http://hdl.handle.net/10259/4257 LA eng NO Ministerio de Economía y Competitividad (CTQ2011-26022) and Juntade Castilla y León (BU108A11-2) DS Repositorio Institucional de la Universidad de Burgos RD 11-dic-2024