On the use of computer assisted resolution of non-separable peaks in a congener specific polybrominated diphenyl ether capillary gas chromatographic analysis

The use of computer assisted deconvolution for chromatographically not separated peaks in the analysis of polybrominated diphenyl ethers (PBDEs) by capillary gas chromatography (CGC) was studied. Twenty-two not separated clusters containing 48 overlapped PBDEs were registered in the separation of a sample containing 122 PBDE congeners on a semipolar poly(8%-phenyl-92%-dimethyl)siloxane column. There were only two clusters in which overlapped PBDEs differ in the number of bromine atoms {PBDE 126(5Br) co-elutes with 154(6Br) and PBDE 105(5Br) co-elutes with 144(6Br)} and therefore their mass spectra could be successfully used for deconvolution purposes. In 22 other clusters 46 isomeric PBDEs with identical mass spectra overlapped and for their resolution a computer assisted deconvolution procedure using a commercial available program was used. A published procedure for the estimation of minimum number of peaks in a peak cluster for which the data found by deconvolution are reliable, has been adapted. Using this procedure, for eight overlapped PBDE full peak data (single peak retention times and peak areas) were extracted