Preprints
https://doi.org/10.5194/egusphere-2025-2243
https://doi.org/10.5194/egusphere-2025-2243
21 May 2025
 | 21 May 2025

Real-time organic aerosol characterization via Orbitrap mass spectrometry in urban and agricultural environments

Julia David, Luca D'Angelo, Mario Simon, and Alexander L. Vogel

Abstract. Mass spectrometry techniques traditionally deployed in the field often operate at low mass resolution, making it hard to unambiguously identify and attribute organic molecules. In this regard, in-situ, accurate and precise online mass-spectrometric measurements of organic molecules in atmospheric organic aerosol (OA) are essential for understanding its sources, formation and chemical composition. In this study, we demonstrate the field applicability of a high-resolution (Orbitrap) mass spectrometer with Atmospheric Pressure Chemical Ionization (APCI-Orbitrap-MS) for real-time ambient OA measurements, achieving online, molecular resolution at atmospherically relevant concentrations with a high temporal resolution of 1 s, mass resolution of R=120,000 at m/z 200, and mass accuracy of ±1.5 ppm. These features enable chemically reliable measurements in environments that are exhibiting chemically complex aerosol composition, through molecular-level detection and identification of anthropogenic pollutants, biogenic and biomass burning tracers. As proof of principle, we deployed the APCI-Orbitrap-MS for in-situ measurements in a mobile laboratory container at an urban background station at Campus Riedberg (CR, Frankfurt am Main, Germany) and an agricultural field site in Schivenoglia (SKI, Italy) in the heavily polluted Po Valley. The APCI-Orbitrap-MS showed good agreement with the organic aerosol mass of an aerosol chemical speciation monitor (ACSM), with Pearson's R values of 0.91 and 0.70 for the urban and agricultural sites, respectively. In SKI, we resolved distinct diurnal variations in compounds such as MBTCA (C8H12O6), a biogenic marker of photochemical aging, and C8H13O8N, an organic nitrate indicative of nighttime chemistry. Additionally, nighttime biomass burning events were detected frequently, with durations ranging from 10 to 40 minutes, emphasizing the importance of high temporal resolution. During these events we found up to 30 isobaric peaks per unit mass that are baseline-resolved. For the first time, the hydroxypinonyl ester of cis-pinic acid (C19H28O7) could be measured and confirmed with MS2 experiments in ambient aerosol by an in-situ method at CR. In addition, laboratory experiments were performed to confirm the broad applicability of the APCI-Orbitrap-MS for the real-time detection of biogenic and biomass burning tracers, as well as specific anthropogenic pollutants, such as pesticides, organophosphates or organic esters from aircraft lubrication oil.

Publisher's note: Copernicus Publications remains neutral with regard to jurisdictional claims made in the text, published maps, institutional affiliations, or any other geographical representation in this paper. While Copernicus Publications makes every effort to include appropriate place names, the final responsibility lies with the authors. Views expressed in the text are those of the authors and do not necessarily reflect the views of the publisher.
Share

Journal article(s) based on this preprint

18 Sep 2025
Real-time organic aerosol characterization via Orbitrap mass spectrometry in urban and agricultural environments
Julia David, Luca D'Angelo, Mario Simon, and Alexander L. Vogel
Atmos. Meas. Tech., 18, 4573–4591, https://doi.org/10.5194/amt-18-4573-2025,https://doi.org/10.5194/amt-18-4573-2025, 2025
Short summary
Julia David, Luca D'Angelo, Mario Simon, and Alexander L. Vogel

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2025-2243', Anonymous Referee #1, 09 Jun 2025
    • AC1: 'Reply on RC1', Alexander Vogel, 21 Jul 2025
  • RC2: 'Comment on egusphere-2025-2243', Anonymous Referee #2, 26 Jun 2025
    • AC2: 'Reply on RC2', Alexander Vogel, 21 Jul 2025

Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on egusphere-2025-2243', Anonymous Referee #1, 09 Jun 2025
    • AC1: 'Reply on RC1', Alexander Vogel, 21 Jul 2025
  • RC2: 'Comment on egusphere-2025-2243', Anonymous Referee #2, 26 Jun 2025
    • AC2: 'Reply on RC2', Alexander Vogel, 21 Jul 2025

Peer review completion

AR: Author's response | RR: Referee report | ED: Editor decision | EF: Editorial file upload
AR by Alexander Vogel on behalf of the Authors (21 Jul 2025)  Author's response   Author's tracked changes   Manuscript 
ED: Publish as is (31 Jul 2025) by Bin Yuan
AR by Alexander Vogel on behalf of the Authors (04 Aug 2025)  Manuscript 

Journal article(s) based on this preprint

18 Sep 2025
Real-time organic aerosol characterization via Orbitrap mass spectrometry in urban and agricultural environments
Julia David, Luca D'Angelo, Mario Simon, and Alexander L. Vogel
Atmos. Meas. Tech., 18, 4573–4591, https://doi.org/10.5194/amt-18-4573-2025,https://doi.org/10.5194/amt-18-4573-2025, 2025
Short summary
Julia David, Luca D'Angelo, Mario Simon, and Alexander L. Vogel
Julia David, Luca D'Angelo, Mario Simon, and Alexander L. Vogel

Viewed

Total article views: 869 (including HTML, PDF, and XML)
HTML PDF XML Total Supplement BibTeX EndNote
705 147 17 869 31 17 35
  • HTML: 705
  • PDF: 147
  • XML: 17
  • Total: 869
  • Supplement: 31
  • BibTeX: 17
  • EndNote: 35
Views and downloads (calculated since 21 May 2025)
Cumulative views and downloads (calculated since 21 May 2025)

Viewed (geographical distribution)

Total article views: 851 (including HTML, PDF, and XML) Thereof 851 with geography defined and 0 with unknown origin.
Country # Views %
  • 1
1
 
 
 
 

Cited

Latest update: 02 Oct 2025
Download

The requested preprint has a corresponding peer-reviewed final revised paper. You are encouraged to refer to the final revised version.

Short summary
We successfully deployed an online high-resolution Orbitrap MS during field campaigns in urban and heavily polluted agricultural environments (Po Valley). The instrument provides high time and mass resolution, enabling the detection of short-term pollution events like biomass burning and diurnal patterns of CHO and CHON compounds. Laboratory experiments confirm its broad applicability to detect biogenic and anthropogenic compounds.
Share