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Comparison of mass spectra characteristics using statistical analysis methods for the case of ionisation of organic molecules by electron impact with different electron energies
- Authors: Silkin S.V.1, Sakharov A.V.1, Pekov S.I.2,3, Eliferov V.A.1, Tkachenko V.G.1, Kolesnik D.V.1, Nikolaev E.N.2, Popov I.A.1,3
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Affiliations:
- Moscow Institute of Physics and Technology
- Skolkovo Institute of Science and Technology
- Siberian State Medical University
- Issue: Vol 58, No 6 (2024)
- Pages: 472-482
- Section: RADIATION CHEMISTRY
- URL: https://journals.rcsi.science/0023-1193/article/view/281554
- DOI: https://doi.org/10.31857/S0023119324060071
- EDN: https://elibrary.ru/THOJOH
- ID: 281554
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Abstract
The sensitivity and accuracy of volatile organic compound (VOC) identification can be enhanced through the manipulation of ionisation energy in electron impact ionisation mass spectrometric gas analysers. This is achieved by modulating the number of ions formed in the ion source. This paper presents a comparison of data obtained by electron impact ionisation at electron energy (EE) values in the range of 25–105 eV for a number of organic substances belonging to different classes of organic compounds. In order to interpret the dynamics of changes in the peak intensities of fragment ions, an analysis was conducted using similarity matrices based on different similarity metrics. This analysis demonstrated the influence of electron energy (EE) on the probability of formation of the main fragment particles of the studied substances, and consequently, on the similarity of the recorded mass spectrum with the reference mass spectrum from the database.
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About the authors
S. V. Silkin
Moscow Institute of Physics and Technology
Email: e.nikolaev@skoltech.ru
Russian Federation, Dolgoprudny
A. V. Sakharov
Moscow Institute of Physics and Technology
Email: e.nikolaev@skoltech.ru
Russian Federation, Dolgoprudny
S. I. Pekov
Skolkovo Institute of Science and Technology; Siberian State Medical University
Email: e.nikolaev@skoltech.ru
Russian Federation, Skolkovo; Tomsk
V. A. Eliferov
Moscow Institute of Physics and Technology
Email: e.nikolaev@skoltech.ru
Russian Federation, Dolgoprudny
V. G. Tkachenko
Moscow Institute of Physics and Technology
Email: e.nikolaev@skoltech.ru
Russian Federation, Dolgoprudny
D. V. Kolesnik
Moscow Institute of Physics and Technology
Email: e.nikolaev@skoltech.ru
Russian Federation, Dolgoprudny
E. N. Nikolaev
Skolkovo Institute of Science and Technology
Author for correspondence.
Email: e.nikolaev@skoltech.ru
Russian Federation, Skolkovo
I. A. Popov
Moscow Institute of Physics and Technology; Siberian State Medical University
Email: popov.ia@mipt.ru
Russian Federation, Dolgoprudny; Tomsk
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