title: Aquatic plant-derived changes in oil sands naphthenic acid signatures determined by low-, high- and ultrahigh-resolution mass spectrometry.
abstract: Mass spectrometry is a common tool for studying the fate of complex organic compound mixtures in oil sands processed water (OSPW), but a comparison of low-, high- ( approximately 10 000), and ultrahigh-resolution ( approximately 400 000) instrumentation for this purpose has not previously been made. High-resolution quadrupole time-of-flight mass spectrometry (QTOF MS) and ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS), with negative-ion electrospray ionization, provided evidence for the selective dissipation of components in OSPW. Dissipation of oil sands naphthenic acids (NAs with general formula C(n)H(2n+z)O(2) where n is the number of carbon atoms, and Z is zero or a negative even number describing the number of rings) was masked (by components such as fatty acids, O(3), O(5), O(6), O(7), SO(2), SO(3), SO(4), SO(5), SO(6), and NO(4) species) at low resolution (1000) when using a triple quadrupole mass spectrometer. Changes observed in the relative composition of components in OSPW appear to be due primarily to the presence of plants, specifically cattails (Typha latifolia) and their associated microorganisms. The observed dissipation included a range of heteratomic species containing O(2), O(3), O(4), and O(5), present in Athabasca oil sands acid extracts. For the heteratomic O(2) species, namely naphthenic acids, an interesting structural relationship suggests that low and high carbon number NAs are dissipated by the plants preferentially, with a minimum around C(14)/C(15). Other heteratomic species containing O(6), O(7), SO(2), SO(3), SO(4), SO(5), SO(6), and NO(4) appear to be relatively recalcitrant to the cattails and were not dissipated to the same extent in planted systems.
authors.affiliation: Water Science and Technology Directorate, 11 Innovation Boulevard, Saskatoon, Saskatchewan, Canada, S7N 3H5. john.headley@ec.gc.ca
authors.forename: John V
authors.initials: JV
authors.lastname: Headley
authors.forename: Kerry M
authors.initials: KM
authors.lastname: Peru
authors.forename: Sarah A
authors.initials: SA
authors.lastname: Armstrong
authors.forename: Xiumei
authors.initials: X
authors.lastname: Han
authors.forename: Jonathan W
authors.initials: JW
authors.lastname: Martin
authors.forename: Mmilili M
authors.initials: MM
authors.lastname: Mapolelo
authors.forename: Donald F
authors.initials: DF
authors.lastname: Smith
authors.forename: Ryan P
authors.initials: RP
authors.lastname: Rogers
authors.forename: Alan G
authors.initials: AG
authors.lastname: Marshall
mesh_terms: D002264:Carboxylic Acids / Q000032:analysis*; D002851:Chromatography, High Pressure Liquid / Q000379:methods*; D009821:Oils / Q000737:chemistry*; D018517:Plant Roots / Q000737:chemistry*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D012989:Soil Pollutants / Q000032:analysis*; D021241:Spectrometry, Mass, Electrospray Ionization / Q000379:methods*; D032401:Typhaceae / Q000737:chemistry*
chemical_list: D002264:Carboxylic Acids; D009821:Oils; D012989:Soil Pollutants; C046170:naphthenic acid