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

DOI

We studied dissolved organic matter (DOM) dynamics in a mangrove-fringed estuary in North Brazil, linking DOM composition to redox conditions at its formation sites. By combining molecular analyses with nutrient and trace metal data, we highlight the outwelling of recalcitrant DOM as a significant contributor to coastal carbon storage and present a novel molecular index (ISuP) for distinguishing DOM sources in complex coastal ecosystems. This dataset contains dissolved organic matter (DOM) molecular data from ultrahigh-resolution mass spectrometry (Fourier-transform ion cyclotron resonance mass spectrometer, FT-ICR-MS), molecular indices calculated from the FT-ICR-MS data (ISuP and ITerr) and environmental data, including dissolved organic carbon (DOC), nutrient (NOx and phosphate), and trace metal (Fe,Mn, Ba) data. Water samples were collected along a mangrove-fringed estuary near Bragança in Pará State (Brazil). Furthermore, it contains porewater samples from eight locations in the mangrove forest and tidal water samples from a mangrove creek, as described in Knoke et al. (2024).

Samples were analysed with Electrospray ionisation Fourier-transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR-MS, solariX XR, Bruker Daltonik GmbH, Bremen, Germany) connected to a 15 Tesla superconducting magnet (Bruker Biospin, Wissembourg, France) and with ICBM-OCEAN (https://rhea.icbm.uni-oldenburg.de/geomol/).

Identifier
DOI https://doi.pangaea.de/10.1594/PANGAEA.974788
Related Identifier IsPartOf https://doi.pangaea.de/10.1594/PANGAEA.974693
Related Identifier References https://doi.org/10.1002/lno.12473
Metadata Access https://ws.pangaea.de/oai/provider?verb=GetRecord&metadataPrefix=datacite4&identifier=oai:pangaea.de:doi:10.1594/PANGAEA.974788
Provenance
Creator Seidel, Michael ORCID logo; Knoke, Melina ORCID logo; Klaproth, Katrin; Friebe, Matthias; Ulber, Ina Ida; Lehners, Carola; Schnetger, Bernhard ORCID logo; Zielinski, Oliver ORCID logo; Dittmar, Thorsten ORCID logo
Publisher PANGAEA
Publication Year 2025
Funding Reference German Research Foundation https://doi.org/10.13039/501100001659 Crossref Funder ID 273262541 https://gepris.dfg.de/gepris/projekt/273262541 Are permeable coastal sediments hotspots for the formation of non-volatile dissolved organic sulfur (DOS) in the ocean?
Rights Creative Commons Attribution 4.0 International; Data access is restricted (moratorium, sensitive data, license constraints); https://creativecommons.org/licenses/by/4.0/
OpenAccess false
Representation
Resource Type Dataset
Format text/tab-separated-values
Size 9476550 data points
Discipline Earth System Research
Spatial Coverage (-46.760W, -1.062S, -46.589E, -0.802N)
Temporal Coverage Begin 2017-09-27T14:00:00Z
Temporal Coverage End 2017-10-11T21:00:00Z