Articles | Volume 16, issue 20
https://doi.org/10.5194/acp-16-12945-2016
https://doi.org/10.5194/acp-16-12945-2016
Research article
 | 
19 Oct 2016
Research article |  | 19 Oct 2016

A novel framework for molecular characterization of atmospherically relevant organic compounds based on collision cross section and mass-to-charge ratio

Xuan Zhang, Jordan E. Krechmer, Michael Groessl, Wen Xu, Stephan Graf, Michael Cubison, John T. Jayne, Jose L. Jimenez, Douglas R. Worsnop, and Manjula R. Canagaratna

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Cited articles

Campuzano, I., Bush, M. F., Robinson, C. V., Beaumont, C., Richardson, K., Kim, H., and Kim, H. I.: Structural characterization of drug-like compounds by ion mobility mass spectrometry: comparison of theoretical and experimentally derived nitrogen collision cross sections, Anal. Chem., 84, 1026–1033, 2012.
Casewit, C. J., Colwell, K. S., and Rappe, A. K.: Application of a universal force field to organic molecules, J. Am. Chem. Soc., 114, 10035–10046, 1992.
Donahue, N. M., Kroll, J. H., Pandis, S. N., and Robinson, A. L.: A two-dimensional volatility basis set – Part 2: Diagnostics of organic-aerosol evolution, Atmos. Chem. Phys., 12, 615–634, https://doi.org/10.5194/acp-12-615-2012, 2012.
Dwivedi, P., Wu, P., Klopsch, S. J., Puzon, G. J., Xun, L., and Hill Jr., H. H.: Metabolic profiling by ion mobility mass spectrometry (IMMS), Metabolomics, 4, 63–80, 2008.
Eiceman, G. A. and Stone, J. A.: Ion mobility spectrometers in national defence, Anal. Chem., 76, 390–397, 2004.
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We develop a novel two-dimensional space to probe the molecular composition of atmospheric organic aerosols.
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