title: Selective and comprehensive analysis of organohalogen compounds by GC × GC-HRTofMS and MS/MS.
abstract: Thousands of organohalogen compounds, including hazardous chemicals such as polychlorinated biphenyls (PCBs) and other persistent organic pollutants (POPs), were selectively and simultaneously detected and identified with simple, or no, purification from environmental sample extracts by using several advanced methods. The methods used were software extraction from two-dimensional gas chromatography-high-resolution time-of-flight mass spectrometry (GC × GC-HRTofMS) data, measurement by negative chemical ionization with HRTofMS, and neutral loss scanning (NLS) with GC × GC-MS/MS. Global and selective detection of organochlorines and bromines in environmental samples such as sediments and fly ash was achieved by NLS using GC × GC-MS/MS (QQQ), with the expected losses of35Cl and79Br. We confirmed that negative chemical ionization was effective for sensitive and selective ionization of organohalogens, even using GC × GC-HRTofMS. The 2D total ion chromatograms obtained by using negative chemical ionization and selective extraction of organohalogens using original software from data measured by electron impact ionization were very similar; the software thus functioned well to extract organohalogens. Combining measurements made by using these different methods will help to detect organohalogens selectively and globally. However, to compare the data obtained by individual measurements, the retention times of the peaks on the 2D chromatograms need to match.
authors.affiliation: National Institute for Environmental Studies, Onogawa 16-2, Tsukuba, 305-8506, Japan. shunji@nies.go.jp.
authors.forename: Shunji
authors.initials: S
authors.lastname: Hashimoto
authors.affiliation: National Institute for Environmental Studies, Onogawa 16-2, Tsukuba, 305-8506, Japan.|Advanced Industrial Science and Technology, Onogawa 16-1, Tsukuba, 305-8569, Japan.
authors.forename: Yasuyuki
authors.initials: Y
authors.lastname: Zushi
authors.affiliation: National Institute for Environmental Studies, Onogawa 16-2, Tsukuba, 305-8506, Japan.
authors.forename: Yoshikatsu
authors.initials: Y
authors.lastname: Takazawa
authors.affiliation: National Institute for Environmental Studies, Onogawa 16-2, Tsukuba, 305-8506, Japan.
authors.forename: Teruyo
authors.initials: T
authors.lastname: Ieda
authors.affiliation: National Institute for Environmental Studies, Onogawa 16-2, Tsukuba, 305-8506, Japan.
authors.forename: Akihiro
authors.initials: A
authors.lastname: Fushimi
authors.affiliation: National Institute for Environmental Studies, Onogawa 16-2, Tsukuba, 305-8506, Japan.
authors.forename: Kiyoshi
authors.initials: K
authors.lastname: Tanabe
authors.affiliation: National Institute for Environmental Studies, Onogawa 16-2, Tsukuba, 305-8506, Japan.
authors.forename: Yasuyuki
authors.initials: Y
authors.lastname: Shibata
mesh_terms: D057225:Data Mining; D004784:Environmental Monitoring / Q000379:methods*; D004785:Environmental Pollutants / Q000032:analysis* / Q000737:chemistry; D008401:Gas Chromatography-Mass Spectrometry; D006846:Hydrocarbons, Halogenated / Q000032:analysis* / Q000737:chemistry; D012984:Software; D053719:Tandem Mass Spectrometry; D013997:Time Factors
chemical_list: D004785:Environmental Pollutants; D006846:Hydrocarbons, Halogenated
keywords: Mass defect; Multidimensional data analysis; Neutral loss; Non-target analysis; Software extraction and cleanup