Articles | Volume 24, issue 18
https://doi.org/10.5194/acp-24-10655-2024
https://doi.org/10.5194/acp-24-10655-2024
Research article
 | 
24 Sep 2024
Research article |  | 24 Sep 2024

Automated compound speciation, cluster analysis, and quantification of organic vapors and aerosols using comprehensive two-dimensional gas chromatography and mass spectrometry

Xiao He, Xuan Zheng, Shuwen Guo, Lewei Zeng, Ting Chen, Bohan Yang, Shupei Xiao, Qiongqiong Wang, Zhiyuan Li, Yan You, Shaojun Zhang, and Ye Wu

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Cited articles

Alam, M. S., West, C. E., Scarlett, A. G., Rowland, S. J., and Harrison, R. M.: Application of 2D-GCMS reveals many industrial chemicals in airborne particulate matter, Atmos. Environ., 65, 101–111, 2013. 
Alam, M. S., Zeraati-Rezaei, S., Xu, H. M., and Harrison, R. M.: Characterization of Gas and Particulate Phase Organic Emissions (C9-C37) from a Diesel Engine and the Effect of Abatement Devices, Environ. Sci. Technol., 53, 11345–11352, 2019. 
Bendik, J., Kalia, R., Sukumaran, J., Richardot, W. H., Hoh, E., and Kelley, S. T.: Automated high confidence compound identification of electron ionization mass spectra for nontargeted analysis, J. Chromatogr. A, 1660, 462656, https://www.ncbi.nlm.nih.gov/pubmed/34798444 (last access: 20 September 2024), 2021. 
Cai, R. L., Yan, C., Worsnop, D. R., Bianchi, F., Kerminen, V. M., Liu, Y. C., Wang, L., Zheng, J., Kulmala, M., and Jiang, J. K.: An indicator for sulfuric acid-amine nucleation in atmospheric environments, Aerosol Sci. Tech., 55, 1059–1069, 2021. 
Chang, Y. H., Cheng, K., Kuang, Y. Q., Hu, Q. Y., Gao, Y. Q., Huang, R. J., Huang, C., Walters, W. W., and Lehmann, M. F.: Isotopic Variability of Ammonia (δ15N-NH3) Slipped from Heavy-Duty Vehicles under Real-World Conditions, Environ. Sci. Tech. Let., 9, 726–732, 2022. 
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Short summary
This study introduces an innovative method for identifying and quantifying complex organic vapors and aerosols. By combining advanced analytical techniques and new algorithms, we categorized thousands of compounds from heavy-duty diesel vehicles and ambient air and highlighted specific tracers for emission sources. The innovative approach enhances peak identification, reduces quantification uncertainties, and offers new insights for air quality management and atmospheric chemistry.
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