Atmospheric Chemistry and Physics
Atmospheric Chemistry and Physics
ACP
Articles | Volume 25, issue 1
Articles | Volume 25, issue 1
https://doi.org/10.5194/acp-25-685-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/acp-25-685-2025
© Author(s) 2025. This work is distributed under
the Creative Commons Attribution 4.0 License.
Articles | Volume 25, issue 1
Technical note
 | 
17 Jan 2025
Technical note |  | 17 Jan 2025

Technical note: Towards atmospheric compound identification in chemical ionization mass spectrometry with pesticide standards and machine learning

Federica Bortolussi, Hilda Sandström, Fariba Partovi, Joona Mikkilä, Patrick Rinke, and Matti Rissanen

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Latest update: 02 Nov 2025
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Short summary
Chemical ionization mass spectrometry (CIMS) is widely used in atmospheric chemistry studies. We still have a limited understanding of the complex functioning of the instrument; therefore, we applied machine learning to provide insights from CIMS analyses. We were able to predict both detection and signal intensity with a fair error, and we found out the most important structural fragments for negative ionization schemes (NH and OH) and positive ones (nitrogen-containing groups).
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