Molecular DOM composition (relative peak intensities) obtained through ultra-high resolution mass spectrometry (FT-ICR-MS)

DOI

Here we present the dissolved organic matter (DOM) data of the sea surface microlayer (SML) and underlying water (ULW) during a multidisciplinary mesocosm study at the Sea sURface Facility (SURF) of the Institute for Chemistry and Biology of the Marine Environment (ICBM) in Wilhelmshaven, Germany (53.5148 °N, 8.1463 °E). The study was conducted from 18 May to 16 June 2023. Water samples were collected using a glass plate for the SML and a tube at a depth of 40 cm. DOM was extracted and desalinated by solid-phase extraction as described by Dittmar et al. (2008). The extracts were stored frozen in methanol until analysis. Aliquots were mixed with 50% ultrapure water (50:50 v/v) and diluted to a final carbon concentration of 2.5 ppm. DOM composition was analysed using a SolariX XR FT-ICR-MS (Bruker Daltonik GmbH, Bremen, Germany) with a 15 Tesla superconducting magnet and an electrospray ionisation source (ESI; Bruker Apollo II ion source) in negative ion mode. Data processing and molecular formula assignment were performed in ICBM-OCEAN, as described by Merder et al. (2020).

Identifier
DOI https://doi.org/10.1594/PANGAEA.995057
Related Identifier IsPartOf https://doi.org/10.1594/PANGAEA.995053
Related Identifier References https://doi.org/10.5194/egusphere-2025-6563
Related Identifier References https://doi.org/10.4319/lom.2008.6.230
Related Identifier References https://doi.org/10.1021/acs.analchem.9b05659
Metadata Access https://ws.pangaea.de/oai/provider?verb=GetRecord&metadataPrefix=datacite4&identifier=oai:pangaea.de:doi:10.1594/PANGAEA.995057
Provenance
Creator Zöbelein, Jasper; Sawle, Shubham; Friedrichs, Gernot; Ribas-Ribas, Mariana ORCID logo; Lehners, Carola; Paetz, Katharina; Pflaum, Maximilian; Waska, Hannelore (ORCID: 0000-0002-5761-560X)
Publisher PANGAEA
Publication Year 2026
Funding Reference German Research Foundation https://doi.org/10.13039/501100001659 Crossref Funder ID 451574234 https://gepris.dfg.de/gepris/projekt/451574234 FOR 5267 - Biogeochemical processes and Air-sea exchange in the Sea-Surface microlayer (BASS)
Rights Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/
OpenAccess true
Representation
Resource Type Dataset
Format text/tab-separated-values
Size 1654212 data points
Discipline Earth System Research
Spatial Coverage (8.146 LON, 53.515 LAT)
Temporal Coverage Begin 2023-05-16T03:57:00Z
Temporal Coverage End 2023-06-16T13:02:00Z