Articles | Volume 12, issue 7
https://doi.org/10.5194/amt-12-3761-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
https://doi.org/10.5194/amt-12-3761-2019
© Author(s) 2019. This work is distributed under
the Creative Commons Attribution 4.0 License.
the Creative Commons Attribution 4.0 License.
Research article
| 
11 Jul 2019
Research article |
| 11 Jul 2019
| 11 Jul 2019
A novel approach for simple statistical analysis of high-resolution mass spectra
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Otso Peräkylä
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Liine Heikkinen
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Mikko Äijälä
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Kaspar R. Daellenbach
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Qiaozhi Zha
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Matthieu Riva
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Univ. Lyon, Université Claude Bernard Lyon 1, CNRS, IRCELYON,
69626, Villeurbanne, France
Olga Garmash
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Heikki Junninen
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Institute of Physics, University of Tartu, Tartu, 50090, Estonia
Pentti Paatero
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Douglas Worsnop
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
Aerodyne Research, Inc., Billerica, MA 01821, USA
Mikael Ehn
Institute for Atmospheric and Earth System Research/Physics,
Faculty of Science, University of Helsinki, Helsinki, 00014, Finland
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- An algorithm for automatic fitting and formula assignment in atmospheric mass spectra V. Mickwitz et al. 10.5194/amt-18-1537-2025
- Atmospheric organic vapors in two European pine forests measured by a Vocus PTR-TOF: insights into monoterpene and sesquiterpene oxidation processes H. Li et al. 10.5194/acp-21-4123-2021
- Molecular Characterization of Oxygenated Organic Molecules and Their Dominating Roles in Particle Growth in Hong Kong P. Zheng et al. 10.1021/acs.est.2c09252
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- The Pivotal Role of Heavy Terpenes and Anthropogenic Interactions in New Particle Formation on the Southeastern Qinghai-Tibet Plateau Y. Liu et al. 10.1021/acs.est.4c04112
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- Research on similarity retrieval method based on mass spectral entropy L. Wu et al. 10.1142/S0219720024500276
25 citations as recorded by crossref.
- Exploring condensable organic vapors and their co-occurrence with PM2.5and O3in winter in Eastern China Y. Liu et al. 10.1039/D2EA00143H
- Formation of condensable organic vapors from anthropogenic and biogenic volatile organic compounds (VOCs) is strongly perturbed by NOx in eastern China Y. Liu et al. 10.5194/acp-21-14789-2021
- Measurement report: Atmospheric new particle formation in a coastal agricultural site explained with binPMF analysis of nitrate CI-APi-TOF spectra M. Olin et al. 10.5194/acp-22-8097-2022
- Chemical identification of new particle formation and growth precursors through positive matrix factorization of ambient ion measurements D. Katz et al. 10.5194/acp-23-5567-2023
- Enhanced Aerosol Source Identification by Utilizing High Molecular Weight Signals in Aerosol Mass Spectra Y. Zhang et al. 10.1021/acsestair.3c00102
- Orbitool: a software tool for analyzing online Orbitrap mass spectrometry data R. Cai et al. 10.5194/amt-14-2377-2021
- Contributions of primary sources to submicron organic aerosols in Delhi, India S. Bhandari et al. 10.5194/acp-22-13631-2022
- Seasonal variation in oxygenated organic molecules in urban Beijing and their contribution to secondary organic aerosol Y. Guo et al. 10.5194/acp-22-10077-2022
- Airborne extractive electrospray mass spectrometry measurements of the chemical composition of organic aerosol D. Pagonis et al. 10.5194/amt-14-1545-2021
- Influence of anthropogenic emissions on the composition of highly oxygenated organic molecules in Helsinki: a street canyon and urban background station comparison M. Okuljar et al. 10.5194/acp-23-12965-2023
- Application of fuzzy c-means clustering for analysis of chemical ionization mass spectra: insights into the gas phase chemistry of NO3-initiated oxidation of isoprene R. Wu et al. 10.5194/amt-17-1811-2024
- Online Aerosol Chemical Characterization by Extractive Electrospray Ionization–Ultrahigh-Resolution Mass Spectrometry (EESI-Orbitrap) C. Lee et al. 10.1021/acs.est.9b07090
- Capability of CI-Orbitrap for Gas-Phase Analysis in Atmospheric Chemistry: A Comparison with the CI-APi-TOF Technique M. Riva et al. 10.1021/acs.analchem.0c00111
- Identifying Unregulated Emissions from Conventional Diesel Self-Ignition and PPCI Marine Engines at Full Load Conditions X. Wang et al. 10.3390/jmse8020101
- Secondary organic aerosol formed by condensing anthropogenic vapours over China’s megacities W. Nie et al. 10.1038/s41561-022-00922-5
- Measurement report: Effects of NOx and seed aerosol on highly oxygenated organic molecules (HOMs) from cyclohexene ozonolysis M. Räty et al. 10.5194/acp-21-7357-2021
- Enigma of Urban Gaseous Oxygenated Organic Molecules: Precursor Type, Role of NOx, and Degree of Oxygenation L. Tian et al. 10.1021/acs.est.2c05047
- An algorithm for automatic fitting and formula assignment in atmospheric mass spectra V. Mickwitz et al. 10.5194/amt-18-1537-2025
- Atmospheric organic vapors in two European pine forests measured by a Vocus PTR-TOF: insights into monoterpene and sesquiterpene oxidation processes H. Li et al. 10.5194/acp-21-4123-2021
- Molecular Characterization of Oxygenated Organic Molecules and Their Dominating Roles in Particle Growth in Hong Kong P. Zheng et al. 10.1021/acs.est.2c09252
- Differing Mechanisms of New Particle Formation at Two Arctic Sites L. Beck et al. 10.1029/2020GL091334
- The Pivotal Role of Heavy Terpenes and Anthropogenic Interactions in New Particle Formation on the Southeastern Qinghai-Tibet Plateau Y. Liu et al. 10.1021/acs.est.4c04112
- Field Detection of Highly Oxygenated Organic Molecules in Shanghai by Chemical Ionization–Orbitrap Y. Zhang et al. 10.1021/acs.est.1c08346
- Insights into atmospheric oxidation processes by performing factor analyses on subranges of mass spectra Y. Zhang et al. 10.5194/acp-20-5945-2020
- Research on similarity retrieval method based on mass spectral entropy L. Wu et al. 10.1142/S0219720024500276
Latest update: 29 May 2025
Short summary
Recent advancements in atmospheric mass spectrometry provide large amounts of new information but at the same time present considerable challenges for the data analysis, for example, in high-resolution peak identification and separation. To address these problems, this study presents a simple and novel method, which succeeds in analyzing both synthetic and ambient datasets. We believe it will become a powerful approach in the data analysis of mass spectra.
Recent advancements in atmospheric mass spectrometry provide large amounts of new information...
