PMID- 25869800 OWN - NLM STAT- MEDLINE DCOM- 20150731 LR - 20181202 IS - 1873-3778 (Electronic) IS - 0021-9673 (Linking) VI - 1395 DP - 2015 May 22 TI - Non-targeted analysis of electronics waste by comprehensive two-dimensional gas chromatography combined with high-resolution mass spectrometry: Using accurate mass information and mass defect analysis to explore the data. PG - 152-9 LID - S0021-9673(15)00460-4 [pii] LID - 10.1016/j.chroma.2015.03.050 [doi] AB - Comprehensive two-dimensional gas chromatography (GCxGC) and high-resolution mass spectrometry (HRMS) offer the best possible separation of their respective techniques. Recent commercialization of combined GCxGC-HRMS systems offers new possibilities for the analysis of complex mixtures. However, such experiments yield enormous data sets that require new informatics tools to facilitate the interpretation of the rich information content. This study reports on the analysis of dust obtained from an electronics recycling facility by using GCxGC in combination with a new high-resolution time-of-flight (TOF) mass spectrometer. New software tools for (non-traditional) Kendrick mass defect analysis were developed in this research and greatly aided in the identification of compounds containing chlorine and bromine, elements that feature in most persistent organic pollutants (POPs). In essence, the mass defect plot serves as a visual aid from which halogenated compounds are recognizable on the basis of their mass defect and isotope patterns. Mass chromatograms were generated based on specific ions identified in the plots as well as region of the plot predominantly occupied by halogenated contaminants. Tentative identification was aided by database searches, complementary electron-capture negative ionization experiments and elemental composition determinations from the exact mass data. These included known and emerging flame retardants, such as polybrominated diphenyl ethers (PBDEs), hexabromobenzene, tetrabromo bisphenol A and tris (1-chloro-2-propyl) phosphate (TCPP), as well as other legacy contaminants such as polychlorinated biphenyls (PCBs) and polychlorinated terphenyls (PCTs). CI - Copyright (c) 2015 Elsevier B.V. All rights reserved. FAU - Ubukata, Masaaki AU - Ubukata M AD - JEOL USA, Inc., Peabody, MA, USA. FAU - Jobst, Karl J AU - Jobst KJ AD - Ontario Ministry of the Environment and Climate Change, Etobicoke, ON, Canada. FAU - Reiner, Eric J AU - Reiner EJ AD - Ontario Ministry of the Environment and Climate Change, Etobicoke, ON, Canada. FAU - Reichenbach, Stephen E AU - Reichenbach SE AD - University of Nebraska-Lincoln, Lincoln, NE, USA. FAU - Tao, Qingping AU - Tao Q AD - GC Image LLC, Lincoln, NE, USA. FAU - Hang, Jiliang AU - Hang J AD - GC Image LLC, Lincoln, NE, USA. FAU - Wu, Zhanpin AU - Wu Z AD - Zoex Corporation, Houston, TX, USA. FAU - Dane, A John AU - Dane AJ AD - JEOL USA, Inc., Peabody, MA, USA. FAU - Cody, Robert B AU - Cody RB AD - JEOL USA, Inc., Peabody, MA, USA. Electronic address: cody@jeol.com. LA - eng PT - Journal Article DEP - 20150328 PL - Netherlands TA - J Chromatogr A JT - Journal of chromatography. A JID - 9318488 RN - 0 (Dust) RN - 0 (Flame Retardants) RN - 0 (Halogenated Diphenyl Ethers) RN - DFC2HB4I0K (Polychlorinated Biphenyls) SB - IM MH - Chemistry Techniques, Analytical/*methods MH - Dust/*analysis MH - Electronic Waste/*analysis MH - Flame Retardants/analysis MH - *Gas Chromatography-Mass Spectrometry MH - Halogenated Diphenyl Ethers/analysis MH - Polychlorinated Biphenyls/analysis MH - Waste Disposal Facilities OTO - NOTNLM OT - Environmental OT - GCxGC-HRMS OT - Kendrick mass defect OT - Mass spectrometry OT - Time-of-flight OT - Two-dimensional gas chromatography EDAT- 2015/04/15 06:00 MHDA- 2015/08/01 06:00 CRDT- 2015/04/15 06:00 PHST- 2014/12/18 00:00 [received] PHST- 2015/03/18 00:00 [revised] PHST- 2015/03/22 00:00 [accepted] PHST- 2015/04/15 06:00 [entrez] PHST- 2015/04/15 06:00 [pubmed] PHST- 2015/08/01 06:00 [medline] AID - S0021-9673(15)00460-4 [pii] AID - 10.1016/j.chroma.2015.03.050 [doi] PST - ppublish SO - J Chromatogr A. 2015 May 22;1395:152-9. doi: 10.1016/j.chroma.2015.03.050. Epub 2015 Mar 28.