New Spectral Deconvolution Algorithms for the Analysis of Polycyclic Aromatic Hydrocarbons and Sulfur Heterocycles by Comprehensive Two-Dimensional Gas Chromatography-Quadrupole Mass Spectrometery

New mass spectral deconvolution algorithms have been developed for comprehensive two-dimensional gas chromatography/quadrupole mass spectrometry (GC × GC/qMS). This paper reports the first use of spectral deconvolution of full scan quadrupole GC × GC/MS data for the quantitative analysis of polycycl...

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Bibliographic Details
Published in:Analytical chemistry (Washington) 2013-11, Vol.85 (21), p.10369-10376
Main Authors: Antle, Patrick M, Zeigler, Christian D, Gankin, Yuriy, Robbat, Albert
Format: Article
Language:English
Subjects:
Accuracy
Algorithms
Chromatography
Deconvolution
Gas chromatography
Ions
Mass spectrometry
Polycyclic aromatic hydrocarbons
Quadrupoles
Spectra
Sulfur
Two dimensional
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Summary:New mass spectral deconvolution algorithms have been developed for comprehensive two-dimensional gas chromatography/quadrupole mass spectrometry (GC × GC/qMS). This paper reports the first use of spectral deconvolution of full scan quadrupole GC × GC/MS data for the quantitative analysis of polycyclic aromatic hydrocarbons (PAH) and polycyclic aromatic sulfur heterocycles (PASH) in coal tar-contaminated soil. A method employing four ions per isomer and multiple fragmentation patterns per alkylated homologue (MFPPH) is used to quantify target compounds. These results are in good agreement with GC/MS concentrations, and an examination of method precision, accuracy, selectivity, and sensitivity is discussed. MFPPH and SIM/1-ion concentration differences are also examined.
ISSN:0003-2700
1520-6882
DOI:10.1021/ac402336j