PMID- 26554601 OWN - NLM STAT- MEDLINE DCOM- 20161013 LR - 20191210 IS - 1618-2650 (Electronic) IS - 1618-2642 (Linking) VI - 408 IP - 2 DP - 2016 Jan TI - Potential of gas chromatography-atmospheric pressure chemical ionization-tandem mass spectrometry for screening and quantification of hexabromocyclododecane. PG - 449-59 LID - 10.1007/s00216-015-9146-8 [doi] AB - 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/muL to 100 pg/muL for the total HBCD concentration; instrumental detection limit was estimated to be 0.10 pg/muL; 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. FAU - Sales, Carlos AU - Sales C AD - Research Institute for Pesticides and Water, University Jaume I, 12071, Castellon, Spain. FAU - Portoles, Tania AU - Portoles T AD - Research Institute for Pesticides and Water, University Jaume I, 12071, Castellon, Spain. FAU - Sancho, Juan Vicente AU - Sancho JV AD - Research Institute for Pesticides and Water, University Jaume I, 12071, Castellon, Spain. FAU - Abad, Esteban AU - Abad E AD - Laboratory of Dioxins, IDAEA, CSIC, 08034, Barcelona, Spain. FAU - Abalos, Manuela AU - Abalos M AD - Laboratory of Dioxins, IDAEA, CSIC, 08034, Barcelona, Spain. FAU - Saulo, Jordi AU - Saulo J AD - Laboratory of Dioxins, IDAEA, CSIC, 08034, Barcelona, Spain. FAU - Fiedler, Heidelore AU - Fiedler H AD - UNEP/DTIE Chemicals Branch, 11-13 Chemin des Anemones, 1219, Chatelaine, GE, Switzerland. AD - MTM Research Centre, Orebro University, 70182, Orebro, Sweden. FAU - Gomara, Belen AU - Gomara B AD - Institute of General Organic Chemistry, CSIC, 28006, Madrid, Spain. FAU - Beltran, Joaquim AU - Beltran J AD - Research Institute for Pesticides and Water, University Jaume I, 12071, Castellon, Spain. beltranj@uji.es. LA - eng PT - Evaluation Study PT - Journal Article PT - Research Support, Non-U.S. Gov't DEP - 20151111 PL - Germany TA - Anal Bioanal Chem JT - Analytical and bioanalytical chemistry JID - 101134327 RN - 0 (Environmental Pollutants) RN - 0 (Flame Retardants) RN - 0 (Hydrocarbons, Brominated) RN - 5I9835JO3M (hexabromocyclododecane) SB - IM MH - Animals MH - Aquatic Organisms/chemistry MH - Decapodiformes MH - Dolphins MH - Environmental Pollutants/chemistry MH - Fishes MH - Flame Retardants/*analysis MH - Gas Chromatography-Mass Spectrometry/*methods MH - Humans MH - Hydrocarbons, Brominated/*chemistry MH - Milk, Human/chemistry MH - Molecular Structure MH - Tandem Mass Spectrometry/methods OTO - NOTNLM OT - Atmospheric pressure chemical ionization OT - Brominated flame retardants OT - Gas chromatography OT - Hexabromocyclododecane OT - Polyurethane foam (PUF) disks EDAT- 2015/11/12 06:00 MHDA- 2016/10/14 06:00 CRDT- 2015/11/12 06:00 PHST- 2015/08/11 00:00 [received] PHST- 2015/10/22 00:00 [accepted] PHST- 2015/10/14 00:00 [revised] PHST- 2015/11/12 06:00 [entrez] PHST- 2015/11/12 06:00 [pubmed] PHST- 2016/10/14 06:00 [medline] AID - 10.1007/s00216-015-9146-8 [pii] AID - 10.1007/s00216-015-9146-8 [doi] PST - ppublish SO - Anal Bioanal Chem. 2016 Jan;408(2):449-59. doi: 10.1007/s00216-015-9146-8. Epub 2015 Nov 11.