title: Four-stage (low-)flow modulation comprehensive gas chromatography-quadrupole mass spectrometry for the determination of recently-highlighted cosmetic allergens.
abstract: The present research is based on the development and use of a flow-modulation (FM) comprehensive two-dimensional gas chromatography-quadrupole mass spectrometry (GC×GC-qMS) method for the determination of recently-highlighted (by the Scientific Committee on Consumer Safety) fragrance allergens (54) in cosmetics. FM GC×GC-qMS conditions were finely tuned to generate flow conditions (≈7 mL min(-1)) compatible with the qMS system used. Six-point calibration curves, over the range 1, 5, 10, 20, 50, 100 mg L(-1), were constructed for the 54 target allergens, with satisfactory linearity observed in all cases. Absolute quantification was performed by using extracted ions; target analyte identification was performed through measurement of ion ratios (qualifier/quantifier), full-scan MS database matching and the use of linear retention indices. Additional analytical figures of merit subjected to measurement were intra-day repeatability, accuracy at the 25 and 5 mg L(-1) levels, and limits of detection and quantification. The number of data points per peak, along with mass spectral skewing, was also subjected to evaluation. Finally, the FM GC×GC-qMS method was used not only for the quantification of target allergens in five commercial perfumes, but also for general qualitative profiling.
authors.affiliation: ⿿Scienze del Farmaco e Prodotti per la Salute⿿ Department, University of Messina, viale Annunziata, 98168 - Messina, Italy.
authors.forename: Peter Q
authors.initials: PQ
authors.lastname: Tranchida
authors.affiliation: ⿿Scienze del Farmaco e Prodotti per la Salute⿿ Department, University of Messina, viale Annunziata, 98168 - Messina, Italy.
authors.forename: Mariarosa
authors.initials: M
authors.lastname: Maimone
authors.affiliation: ⿿Scienze del Farmaco e Prodotti per la Salute⿿ Department, University of Messina, viale Annunziata, 98168 - Messina, Italy.
authors.forename: Flavio A
authors.initials: FA
authors.lastname: Franchina
authors.affiliation: Instituto de Química, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil.
authors.forename: Thiago Rodrigues
authors.initials: TR
authors.lastname: Bjerk
authors.affiliation: Instituto de Química, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS, Brazil.
authors.forename: Cláudia Alcaraz
authors.initials: CA
authors.lastname: Zini
authors.affiliation: Chromaleont s.r.l., c/o ⿿Scienze del Farmaco e Prodotti per la Salute⿿ Department, University of Messina, viale Annunziata, 98168 - Messina, Italy.
authors.forename: Giorgia
authors.initials: G
authors.lastname: Purcaro
authors.affiliation: ⿿Scienze del Farmaco e Prodotti per la Salute⿿ Department, University of Messina, viale Annunziata, 98168 - Messina, Italy; Chromaleont s.r.l., c/o ⿿Scienze del Farmaco e Prodotti per la Salute⿿ Department, University of Messina, viale Annunziata, 98168 - Messina, Italy; University Campus Bio-Medico of Rome, Via ÿlvaro del Portillo, 21 - 00128 Roma, Italy. Electronic address: lmondello@unime.it.
authors.forename: Luigi
authors.initials: L
authors.lastname: Mondello
mesh_terms: D000485:Allergens / Q000032:analysis*; D002138:Calibration; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods; D007477:Ions; D010476:Perfume / Q000032:analysis*
chemical_list: D000485:Allergens; D007477:Ions; D010476:Perfume
keywords: Comprehensive two-dimensional gas chromatography; Flow modulation; Fragrance allergens; Perfumes; Quadrupole mass spectrometry