Articles | Volume 9, issue 7
https://doi.org/10.5194/amt-9-3263-2016
https://doi.org/10.5194/amt-9-3263-2016
Research article
 | 
25 Jul 2016
Research article |  | 25 Jul 2016

Applications and limitations of constrained high-resolution peak fitting on low resolving power mass spectra from the ToF-ACSM

Hilkka Timonen, Mike Cubison, Minna Aurela, David Brus, Heikki Lihavainen, Risto Hillamo, Manjula Canagaratna, Bettina Nekat, Rolf Weller, Douglas Worsnop, and Sanna Saarikoski

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Cited articles

Aiken, A. C., DeCarlo, P. F., and Jimenez, J. L.: Elemental Analysis of Organic Species with Electron Ionization High-Resolution Mass Spectrometry, Anal. Chem., 79, 8350–8358, https://doi.org/10.1021/ac071150w, 2007.
Allan, J. D., Coe, H., Bower, K. N., Alfarra, M. R., Delia, A. E., Jimenez, J. L., Middlebrook, A. M., Drewnick, F., Onasch, T. B., Canagaratna, M. R., Jayne, J. T., and Worsnop, D.R.: Technical Note: Extraction of Chemically Resolved Mass Spectra from Aerodyne Aerosol Mass Spectrometer Data, J. Aerosol Sci., 35, 909–922, 2004.
Aurela, M., Saarikoski, S., Niemi, J. V., Canonaco, F., Prevot, A. S. H., Frey, A., Carbone, S., Kousa, A., and Hillamo, R.: Chemical and Source Characterization of Submicron Particles at Residential and Traffic Sites in the Helsinki Metropolitan Area, Finland, Aerosol Air Qual. Res, 15, 1213–1226, https://doi.org/10.4209/aaqr.2014.11.0279, 2015.
Canagaratna, M. R., Jimenez, J. L., Kroll, J. H., Chen, Q., Kessler, S. H., Massoli, P., Hildebrandt Ruiz, L., Fortner, E., Williams, L. R., Wilson, K. R., Surratt, J. D., Donahue, N. M., Jayne, J. T., and Worsnop, D. R.: Elemental ratio measurements of organic compounds using aerosol mass spectrometry: characterization, improved calibration, and implications, Atmos. Chem. Phys., 15, 253–272, https://doi.org/10.5194/acp-15-253-2015, 2015.
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The applicability, methods and limitations of constrained peak fitting on mass spectra of low mass resolving power (m∕Δm50 ∼ 500) recorded with a time-of-flight aerosol chemical speciation monitor (ToF-ACSM) are explored. Calibration measurements and ambient data are used to exemplify the methods that should be applied to maximise data quality and assess confidence in peak-fitting results.
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