title: Characterization of iodinated disinfection by-products in chlorinated and chloraminated waters using Orbitrap based gas chromatography-mass spectrometry.
abstract: Recent developments in gas chromatography (GC)-mass spectrometry (MS) have opened up the possibility to use the high resolution-accurate mass (HRAM) Orbitrap mass analyzer to further characterize the volatile and semivolatile fractions of environmental samples. This work describes the utilization of GC Orbitrap MS technology to characterize iodine-containing disinfection by-products (iodo-DBPs) in chlorinated and chloraminated DBP mixture concentrates. These DBP mixtures were generated in lab-scale disinfection reactions using Llobregat river water and solutions containing Nordic Lake natural organic matter (NOM). The DBPs generated were concentrated using XAD resins, and extracts obtained were analyzed in full scan mode with the GC Orbitrap MS. Integration of high resolution accurate mass information and fragment rationalization allowed the characterization of up to 11 different iodo-DBPs in the water extracts analyzed, including one new iodo-DBP reported for the first time. Overall, formation of iodo-DBPs was enhanced during chloramination reactions. As expected, NOM characteristics and iodide and bromide content of the tested waters affected the amount and type of iodo-DBPs generated.
authors.affiliation: Water and Soil Quality Research Group, Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research - Spanish National Research Council (IDAEA-CSIC), Jordi Girona 18-26, 08034, Barcelona, Spain. cprqam@cid.csic.es.
authors.forename: Cristina
authors.identifier: http://orcid.org/0000-0002-7344-7044
authors.initials: C
authors.lastname: Postigo
authors.affiliation: Thermo Fisher Scientific, Tudor Road, Manor Park, Runcorn, Cheshire, WA7 1TA, UK.
authors.forename: Cristian I
authors.initials: CI
authors.lastname: Cojocariu
authors.affiliation: Department of Chemistry and Biochemistry, University of South Carolina, 631 Sumter St., Columbia, SC, 29208, USA.
authors.forename: Susan D
authors.initials: SD
authors.lastname: Richardson
authors.affiliation: Thermo Fisher Scientific, Tudor Road, Manor Park, Runcorn, Cheshire, WA7 1TA, UK.
authors.forename: Paul J
authors.initials: PJ
authors.lastname: Silcock
authors.affiliation: Water and Soil Quality Research Group, Department of Environmental Chemistry, Institute of Environmental Assessment and Water Research - Spanish National Research Council (IDAEA-CSIC), Jordi Girona 18-26, 08034, Barcelona, Spain.|Catalan Institute for Water Research (ICRA), Parc Científic i Tecnològic de la Universitat de Girona, Edifici H2O, Emili Grahit 101, 17003, Girona, Spain.
authors.forename: Damia
authors.initials: D
authors.lastname: Barcelo
mesh_terms: D002700:Chloramines / Q000737:chemistry*; D002713:Chlorine / Q000737:chemistry*; D004203:Disinfection; D008401:Gas Chromatography-Mass Spectrometry / Q000379:methods*; D007455:Iodine / Q000737:chemistry*
chemical_list: D002700:Chloramines; D002713:Chlorine; D007455:Iodine; C030816:chloramine
keywords: Chloramination; Chlorination; Gas chromatography; High resolution mass spectrometry; Iodinated disinfection by-products; Orbitrap GC