title: Suspect screening of OH-PAHs and non-target screening of other organic compounds in wood smoke particles using HR-Orbitrap-MS.
abstract: Wood combustion has been shown to contribute significantly to emissions of polycyclic aromatic hydrocarbons and hydroxylated polycyclic aromatic hydrocarbons, compounds with toxic and carcinogenic properties. However, only a small number of hydroxylated polycyclic aromatic hydrocarbons have been determined in particles from wood combustion, usually compounds with available reference standards. In this present study, suspect and non-target screening strategies were applied to characterize the wood smoke particles from four different wood types and two combustion conditions with respect to hydroxylated polycyclic aromatic hydrocarbons and other organic compounds. In the suspect screening, 32 peaks corresponding to 12 monohydroxylated masses were tentatively identified by elemental composition assignments and matching of isotopic pattern and fragments. More than one structure was suggested for most of the measured masses. Statistical analysis was performed on the non-target screening data in order to single out significant peaks having intensities that depend on the wood type and/or combustion condition. Significant peaks were found in both negative and positive ionization modes, with unique peaks for each wood type and combustion condition, as well as a combination of both factors. Furthermore, structural elucidation of some peaks was done by comparing the spectra in the samples with spectra found in the spectral databases. Six compounds were tentatively identified in positive ionization mode, and 19 in negative ionization mode. The results in this present study demonstrate that there are significant overall differences in the chemistry of wood smoke particles that depends on both the wood type and the combustion condition used.
authors.affiliation: Department of Environmental Science and Analytical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91, Stockholm, Sweden.
authors.forename: Rozanna
authors.initials: R
authors.lastname: Avagyan
authors.affiliation: Department of Environmental Science and Analytical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91, Stockholm, Sweden.
authors.forename: Magnus
authors.initials: M
authors.lastname: Åberg
authors.affiliation: Department of Environmental Science and Analytical Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91, Stockholm, Sweden. Electronic address: roger.westerholm@aces.su.se.
authors.forename: Roger
authors.initials: R
authors.lastname: Westerholm
mesh_terms: D000393:Air Pollutants / Q000032:analysis; D002138:Calibration; D002853:Chromatography, Liquid; D004784:Environmental Monitoring / Q000379:methods; D013058:Mass Spectrometry; D009930:Organic Chemicals / Q000032:analysis*; D011084:Polycyclic Aromatic Hydrocarbons / Q000032:analysis*; D025341:Principal Component Analysis; D012044:Regression Analysis; D012906:Smoke / Q000032:analysis*; D021241:Spectrometry, Mass, Electrospray Ionization; D013696:Temperature; D014934:Wood / Q000032:analysis*
chemical_list: D000393:Air Pollutants; D009930:Organic Chemicals; D011084:Polycyclic Aromatic Hydrocarbons; D012906:Smoke
keywords: Non-target screening; OH-PAHs; Orbitrap; Suspect screening; TracMass 2; Wood smoke particles