Analysis for environmental samples usually monitor some specific compounds. Some unknown compounds that also are harmful to the environment and human health may be ignored. Non-targeted screening may find those unexpected compounds.  In this study, a novel method for analysis of organic pollutants in environmental samples by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOF MS) was developed via the optimization of a series of operational parameters. The method was successfully used to analyze PM<sub>2.5 </sub>sample, and more than 10,000 peaks can be detected in one injection. It was important but challenging to interpret such enormous data. Structured chromatograms and compound classes can be observed after 218 aromatic compounds and short- and medium-chain chlorinated paraffins were recognised through their related standard substances. Compounds that share a common structure and differ by the number of halogen substituent can be rapidly filtered and identified via Kendrick mass defect analysis. Tentative identification of other unknown compounds was aided by elemental composition determinations from the accurate mass data acquired in CI mode as well as library searching and structure diagnostic fragmentation under EI measurement. The analytical techniques were shown to be powerful for more comprehensive understanding of organic compounds present in the environmental samples.

Targeted and non-targeted analysis of organic pollutants in PM<sub>2.5 </sub>by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry

256th National Meeting (2018)

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Targeted and non-targeted analysis of organic pollutants in PM2.5 by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry

Targeted and non-targeted analysis of organic pollutants in PM_2.5by comprehensive two-dimensional gas chromatography coupled with time-of-flight mass spectrometry