Articles | Volume 2, issue 1
https://doi.org/10.5194/ar-2-59-2024
https://doi.org/10.5194/ar-2-59-2024
Research article
 | 
08 May 2024
Research article |  | 08 May 2024

A multi-instrumental approach for calibrating real-time mass spectrometers using high-performance liquid chromatography and positive matrix factorization

Melinda K. Schueneman, Douglas A. Day, Dongwook Kim, Pedro Campuzano-Jost, Seonsik Yun, Marla P. DeVault, Anna C. Ziola, Paul J. Ziemann, and Jose L. Jimenez

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Cited articles

Bakker-Arkema, J. G. and Ziemann, P. J.: Minimizing Errors in Measured Yields of Particle-Phase Products Formed in Environmental Chamber Reactions: Revisiting the Yields of β-Hydroxynitrates Formed from 1-Alkene + OH/NOx Reactions, ACS Earth Space Chem., 5, 690–702, https://doi.org/10.1021/acsearthspacechem.1c00008, 2021. 
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Canagaratna, M. R., Jayne, J. T., Jimenez, J. L., Allan, J. D., Alfarra, M. R., Zhang, Q., Onasch, T. B., Drewnick, F., Coe, H., Middlebrook, A., Delia, A., Williams, L. R., Trimborn, A. M., Northway, M. J., DeCarlo, P. F., Kolb, C. E., Davidovits, P., and Worsnop, D. R.: Chemical and microphysical characterization of ambient aerosols with the aerodyne aerosol mass spectrometer, Mass Spectrom. Rev., 26, 185–222, https://doi.org/10.1002/mas.20115, 2007. 
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. 
Chen, H., Venter, A., and Graham Cooks, R.: Extractive electrospray ionization for direct analysis of undiluted urine, milk and other complex mixtures without sample preparation, Chem. Commun., 19, 2042–2044, https://doi.org/10.1039/B602614A, 2006. 
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Short summary
Our study presents a novel method for quantifying mass spectrometer responses to molecular species in organic aerosols. Traditional calibrations often fail for complex mixtures like secondary organic aerosol. We combined chromatography with statistical component analysis to improve separation and quantification, achieving promising agreement with direct calibration. Our findings offer a new approach to assess aerosol composition, especially beneficial for complex mixtures.
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