title: Identification of Novel Brominated Compounds in Flame Retarded Plastics Containing TBBPA by Combining Isotope Pattern and Mass Defect Cluster Analysis.
abstract: The study of not only main flame retardants but also of related degradation products or impurities has gained attention in the last years and is relevant to assess the safety of our consumer products and the emission of potential contaminants into the environment. In this study, we show that plastics casings of electric/electronic devices containing TBBPA contain also a complex mixture of related brominated chemicals. These compounds were most probably coming from impurities, byproducts, or degradation products of TBBPA and TBBPA derivatives. A total of 14 brominated compounds were identified based on accurate mass measurements (formulas and tentative structures proposed). The formulas (or number of bromine elements) for 19 other brominated compounds of minor intensity are also provided. A new script for the recognition of halogenated compounds based on combining a simplified isotope pattern and mass defect cluster analysis was developed in R for the screening. The identified compounds could be relevant from an environmental and industrial point of view.
authors.affiliation: Institute for Environmental Studies, VU University Amsterdam , De Boelelaan 1087, 1081 HV Amsterdam, The Netherlands.
authors.forename: Ana
authors.identifier: 0000-0003-1583-1459
authors.initials: A
authors.lastname: Ballesteros-Gómez
authors.affiliation: Department of Electronic Technology, University of Málaga , Bulevar Louis Pasteur 35, 29010 Málaga, Spain.
authors.forename: Joaquín
authors.initials: J
authors.lastname: Ballesteros
authors.affiliation: Ontario Ministry of the Environment and Climate Change , 125 Resources Road, M9P 3 V6 Toronto, ON, Canada.
authors.forename: Xavier
authors.initials: X
authors.lastname: Ortiz
authors.affiliation: Division of Bioanalytical Chemistry, VU University Amsterdam , De Boelelaan 1108, 1081 HZ Amsterdam, The Netherlands.
authors.forename: Willem
authors.initials: W
authors.lastname: Jonker
authors.affiliation: Institute for Biodiversity and Ecosystem Dynamics, University of Amsterdam , Science Park 904, 1098 XH Amsterdam, The Netherlands.
authors.forename: Rick
authors.initials: R
authors.lastname: Helmus
authors.affiliation: Ontario Ministry of the Environment and Climate Change , 125 Resources Road, M9P 3 V6 Toronto, ON, Canada.
authors.forename: Karl J
authors.initials: KJ
authors.lastname: Jobst
authors.affiliation: Institute for Biodiversity and Ecosystem Dynamics, University of Amsterdam , Science Park 904, 1098 XH Amsterdam, The Netherlands.
authors.forename: John R
authors.initials: JR
authors.lastname: Parsons
authors.affiliation: Ontario Ministry of the Environment and Climate Change , 125 Resources Road, M9P 3 V6 Toronto, ON, Canada.
authors.forename: Eric J
authors.initials: EJ
authors.lastname: Reiner
mesh_terms: D001966:Bromine / Q000737:chemistry; D004581:Electronics; D005411:Flame Retardants; D006842:Hydrocarbons, Brominated; D007554:Isotopes; D010969:Plastics; D011075:Polybrominated Biphenyls
chemical_list: D005411:Flame Retardants; D006842:Hydrocarbons, Brominated; D007554:Isotopes; D010969:Plastics; D011075:Polybrominated Biphenyls; D001966:Bromine