PMID- 24999818
OWN - NLM
STAT- MEDLINE
DCOM- 20151127
LR  - 20140819
IS  - 1520-5851 (Electronic)
IS  - 0013-936X (Linking)
VI  - 48
IP  - 16
DP  - 2014 Aug 19
TI  - Identification of potential novel bioaccumulative and persistent chemicals in 
      sediments from Ontario (Canada) using scripting approaches with GCxGC-TOF MS 
      analysis.
PG  - 9591-9
LID - 10.1021/es5018152 [doi]
AB  - This work describes a single and fast approach using a filtering script as a 
      means of prioritizing sample processing of data acquired by GCxGC-TOF MS for the 
      identification of potentially novel persistent and bioaccumulative halogenated 
      chemicals. The proposed script is based on the recognition of a generic 
      halogenated isotope cluster pattern that allows for the simultaneous detection of 
      chlorinated, brominated, or mixed halogen-substituted compounds in a single 
      classification. Once developed, the script was applied to the identification of 
      organohalogens in stream sediments collected across the southern region of 
      Ontario (Canada). Classified peaks were first compared with available analytical 
      standards and reference libraries to confirm the known chemicals. Unknown 
      potential persistent organic pollutants (POPs) were evaluated for occurrence 
      within the samples and high resolution mass spectrometry was used in order to 
      identify some of the most prevalent compounds in the samples and resulting in the 
      identification of three decachlorinated dechlorane analogs (C18H14Cl10), two 
      undecachlorinated dechlorane species (C18H13Cl11), and a novel mixed 
      chloro/bromo-carbazole (C12H5NCl2Br2) in a number of sediments analyzed. Relative 
      peak abundances of these unknown halogenated compounds were in the same order of 
      magnitude or slightly higher than levels observed for conventional POPs detected 
      in the samples.
FAU - Pena-Abaurrea, Miren
AU  - Pena-Abaurrea M
AD  - Department of Chemistry, University of Toronto , Toronto, Ontario M5S 3H6, 
      Canada.
FAU - Jobst, Karl J
AU  - Jobst KJ
FAU - Ruffolo, Ralph
AU  - Ruffolo R
FAU - Shen, Li
AU  - Shen L
FAU - McCrindle, Robert
AU  - McCrindle R
FAU - Helm, Paul A
AU  - Helm PA
FAU - Reiner, Eric J
AU  - Reiner EJ
LA  - eng
PT  - Journal Article
PT  - Research Support, Non-U.S. Gov't
DEP - 20140718
PL  - United States
TA  - Environ Sci Technol
JT  - Environmental science & technology
JID - 0213155
RN  - 0 (Hydrocarbons, Chlorinated)
RN  - 0 (Isotopes)
RN  - 0 (Water Pollutants, Chemical)
SB  - IM
MH  - Canada
MH  - Gas Chromatography-Mass Spectrometry/*methods
MH  - Geologic Sediments/*analysis
MH  - Hydrocarbons, Chlorinated/analysis/pharmacokinetics
MH  - Isotopes/analysis
MH  - Mass Spectrometry
MH  - Ontario
MH  - Water Pollutants, Chemical/*analysis/pharmacokinetics
EDAT- 2014/07/08 06:00
MHDA- 2015/12/15 06:00
CRDT- 2014/07/08 06:00
PHST- 2014/07/08 06:00 [entrez]
PHST- 2014/07/08 06:00 [pubmed]
PHST- 2015/12/15 06:00 [medline]
AID - 10.1021/es5018152 [doi]
PST - ppublish
SO  - Environ Sci Technol. 2014 Aug 19;48(16):9591-9. doi: 10.1021/es5018152. Epub 2014 
      Jul 18.