title: Potential of gas chromatography-atmospheric pressure chemical ionization-tandem mass spectrometry for screening and quantification of hexabromocyclododecane.
abstract: A fast method for the screening and quantification of hexabromocyclododecane (sum of all isomers) by gas chromatography using a triple quadrupole mass spectrometer with atmospheric pressure chemical ionization (GC-APCI-QqQ) is proposed. This novel procedure makes use of the soft atmospheric pressure chemical ionization source, which results in less fragmentation of the analyte than by conventional electron impact (EI) and chemical ionization (CI) sources, favoring the formation of the [M - Br](+) ion and, thus, enhancing sensitivity and selectivity. Detection was based on the consecutive loses of HBr from the [M - Br](+) ion to form the specific [M - H5Br6](+) and [M - H4Br5](+) ions, which were selected as quantitation (Q) and qualification (q) transitions, respectively. Parameters affecting ionization and MS/MS detection were studied. Method performance was also evaluated; calibration curves were found linear from 1 pg/μL to 100 pg/μL for the total HBCD concentration; instrumental detection limit was estimated to be 0.10 pg/μL; repeatability and reproducibility, expressed as relative standard deviation, were better than 7% in both cases. The application to different real samples [polyurethane foam disks (PUFs), food, and marine samples] pointed out a rapid way to identify and allow quantification of this compound together with a number of polybrominated diphenyl ethers (BDE congeners 28, 47, 66, 85, 99, 100, 153, 154, 183, 184, 191, 196, 197, and 209) and two other novel brominated flame retardants [i.e., decabromodiphenyl ethane (DBDPE) and 1,2-bis(2,4,6-tribromophenoxy)ethane (BTBPE)] because of their presence in the same fraction when performing the usual sample treatment.
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, 12071, Castellón, Spain.
authors.forename: Carlos
authors.initials: C
authors.lastname: Sales
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, 12071, Castellón, Spain.
authors.forename: Tania
authors.initials: T
authors.lastname: Portolés
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, 12071, Castellón, Spain.
authors.forename: Juan Vicente
authors.initials: JV
authors.lastname: Sancho
authors.affiliation: Laboratory of Dioxins, IDAEA, CSIC, 08034, Barcelona, Spain.
authors.forename: Esteban
authors.initials: E
authors.lastname: Abad
authors.affiliation: Laboratory of Dioxins, IDAEA, CSIC, 08034, Barcelona, Spain.
authors.forename: Manuela
authors.initials: M
authors.lastname: Ábalos
authors.affiliation: Laboratory of Dioxins, IDAEA, CSIC, 08034, Barcelona, Spain.
authors.forename: Jordi
authors.initials: J
authors.lastname: Sauló
authors.affiliation: UNEP/DTIE Chemicals Branch, 11-13 Chemin des Anémones, 1219, Châtelaine, GE, Switzerland.|MTM Research Centre, Örebro University, 70182, Örebro, Sweden.
authors.forename: Heidelore
authors.initials: H
authors.lastname: Fiedler
authors.affiliation: Institute of General Organic Chemistry, CSIC, 28006, Madrid, Spain.
authors.forename: Belén
authors.initials: B
authors.lastname: Gómara
authors.affiliation: Research Institute for Pesticides and Water, University Jaume I, 12071, Castellón, Spain. beltranj@uji.es.
authors.forename: Joaquim
authors.initials: J
authors.lastname: Beltrán
mesh_terms: D000818:Animals; D059001:Aquatic Organisms / Q000737:chemistry; D049832:Decapodiformes; D004289:Dolphins; D004785:Environmental Pollutants / Q000737:chemistry; D005399:Fishes; D005411:Flame Retardants / Q000032:analysis*; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D006801:Humans; D006842:Hydrocarbons, Brominated / Q000737:chemistry*; D008895:Milk, Human / Q000737:chemistry; D015394:Molecular Structure; D053719:Tandem Mass Spectrometry / Q000379:methods
chemical_list: D004785:Environmental Pollutants; D005411:Flame Retardants; D006842:Hydrocarbons, Brominated; C089796:hexabromocyclododecane
keywords: Atmospheric pressure chemical ionization; Brominated flame retardants; Gas chromatography; Hexabromocyclododecane; Polyurethane foam (PUF) disks