Toward the Accurate Analysis of C^sub 1^-C^sub 4^ Polycyclic Aromatic Sulfur Heterocycles

Polycyclic aromatic sulfur heterocycles (PASH) are sulfur analogues of polycyclic aromatic hydrocarbons (PAH). Alkylated PAH attract much attention as carcinogens, mutagens, and as diagnostics for environmental forensics. PASH, in contrast, are mostly ignored in the same studies due to the conspicuo...

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Bibliographic Details
Published in:Analytical chemistry (Washington) 2012-03, Vol.84 (5), p.2245
Main Authors: Zeigler, Christian, Wilton, Nicholas, Robbat, Albert
Format: Article
Language:English
Subjects:
Algorithms
Analytical chemistry
Ions
Mass spectrometry
Polycyclic aromatic hydrocarbons
Online Access:Get full text
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Summary:Polycyclic aromatic sulfur heterocycles (PASH) are sulfur analogues of polycyclic aromatic hydrocarbons (PAH). Alkylated PAH attract much attention as carcinogens, mutagens, and as diagnostics for environmental forensics. PASH, in contrast, are mostly ignored in the same studies due to the conspicuous absence of gas chromatography/mass spectrometry (GC/MS) retention times and fragmentation patterns. To obtain these data, eight coal tar and crude oils were analyzed by automated sequential GC-GC. Sample components separated based on their interactions with two different stationary phases. Newly developed algorithms deconvolved combinatorially selected ions to identify and quantify PASH in these samples. Simultaneous detection by MS and pulsed flame photometric detectors (PFPD) provided additional selectivity to differentiate PASH from PAH when coelution occurred. A comprehensive library of spectra and retention indices is reported for the ... two-, three-, and four-ring PASH. Results demonstrate the importance of using multiple fragmentation patterns per homologue (MFPPH) compared to selected ion monitoring (SIM) or extraction (SIE) to identify isomers. Since SIM/SIE analyses dramatically overestimate homologue concentrations, MFPPH should be used to correctly quantify PASH for bioavailability, weathering, and liability studies. (ProQuest: ... denotes formulae/symbols omitted.)
ISSN:0003-2700
1520-6882