Jet fuel chemical composition, weathering, and identification as a contaminant at a remediation site, determined by Fourier transform ion cyclotron resonance mass spectrometry

We have characterized a jet fuel (JP-8) contaminated site and compared its chemical constituents to a set of unweathered JP-4, JP-5 and JP-8 weathered standards by use of an all-glass heated inlet system (AGHIS) coupled to a home-built 6.0 T Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. From as little as a 1 mu L septum injection of JP-8, JP-5, or JP-4 into the AGHIS, we obtained high-resolution mass spectra containing similar to 400 peaks, 50 less than or equal to m/z less than or equal to 280, with as many as 4 peaks at the same nominal mass. A molecular formula (elemental composition) could be assigned to each peak, solely on the basis of accurate mass measurement to +/- 0.8 ppm. With increased " weathering" (i.e., evaporation), JP-8 exhibited a significantly increased number and relative abundance of higher-mass (200 less than or equal to m/z less than or equal to 250) species, in accord with a previously observed increase in gas retention times with increased weathering. By extraction and subsequent FT-ICR mass analysis of JP-8 contaminated soil, we were able to identify and correlate many species to those present in the unweathered/weathered standards, as well as identify a small number of new species attributed to degradation products from prolonged weathering and matrix components arising from species extracted from the soil.