@article {51812,
	title = {Characterization of oil sands process-affected waters by liquid chromatography Orbitrap mass spectrometry},
	volume = {47},
	year = {2013},
	month = {04/2013},
	pages = {9 pages },
	publisher = {Environmental Science \& Technology },
	abstract = {Recovery of bitumen from oil sands in northern Alberta, Canada, occurs by surface mining or in situ thermal recovery, and both methods produce toxic oil sands process-affected water (OSPW). A new characterization strategy for surface mining OSPW (sm-OSPW) and in situ OSPW (is-OSPW) was achieved by combining liquid chromatography with orbitrap mass spectrometry (MS). In electrospray positive and negative ionization modes (ESI+/ESI{\textendash}), mass spectral data were acquired with high resolving power (RP > 100 000{\textendash}190 000) and mass accuracy (<2 ppm). The additional chromatographic resolution allowed for separation of various isomers and interference-free MSn experiments. Overall, \~{}3000 elemental compositions were revealed in each OSPW sample, corresponding to a range of heteroatom-containing homologue classes: Ox (where x = 1{\textendash}6), NOx (where x = 1{\textendash}4), SOx (where x = 1{\textendash}4), NO2S, N, and S. Despite similarities between the OSPW samples at the level of heteroatom class, the two samples were very different when considering isomer patterns and double-bond equivalent profiles. The chromatographic separations also allowed for confirmation that, in both OSPW samples, the O2 species detected in ESI{\textendash} (i.e., naphthenic acids) were chemically distinct from the corresponding O2 species detected in ESI+. In comparison to model compounds, tandem MS spectra of these new O2 species suggested a group of non-acidic compounds with dihydroxy, diketo, or ketohydroxy functionality. In light of the known endocrine-disrupting potential of sm-OSPW, the toxicity of these O2 species deserves attention and the method should be further applied to environmental forensic analysis of water in the region.},
	keywords = {analytical methodology, chemistry, naphthenic acids, tailings water, UofA},
	author = {Dos Santos Pereira, Alberto and Bhattacharjee, Subir and Martin, Jonathan W.}
}
