Citation:

PANGAEA.974693

Name: Molecular DOM composition (relative peak intensities) derived from ultra-high resolution mass spectrometry (FT-ICR-MS)
Published: 2025-03-25
License: https://creativecommons.org/licenses/by/4.0/
Keywords: DOM; FDOM; FT-ICR-MS; mangroves; nutrients; trace metals Fe/Mn/Ba

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Published: 2025-03-25 • DOI registered: 2025-04-23

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Abstract:

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).

Keyword(s):

DOM; FDOM; FT-ICR-MS; mangroves; nutrients; trace metals Fe/Mn/Ba

Related to:

Knoke, Melina; Dittmar, Thorsten; Zielinski, Oliver; Kida, Morimaru; Asp, Nils; de Rezende, Carlos; Schnetger, Bernhard; Seidel, Michael (2024): Outwelling of reduced porewater drives the biogeochemistry of dissolved organic matter and trace metals in a major mangrove‐fringed estuary in Amazonia. Limnology and Oceanography, 69(2), 262-278, https://doi.org/10.1002/lno.12473

Funding:

German Research Foundation (DFG), grant/award no. 273262541 : Are permeable coastal sediments hotspots for the formation of non-volatile dissolved organic sulfur (DOS) in the ocean?

Coverage:

Median Latitude: -0.921921 * Median Longitude: -46.669589 * South-bound Latitude: -1.062000 * West-bound Longitude: -46.760300 * North-bound Latitude: -0.802150 * East-bound Longitude: -46.588650

Date/Time Start: 2017-09-27T14:00:00 * Date/Time End: 2017-10-11T21:00:00

Event(s):

MARDOS_Estuary_S1 (Station 01) * Latitude: -0.802150 * Longitude: -46.590170 * Date/Time: 2017-10-10T12:30:00 * Campaign: * Basis: Sampling on land * Method/Device: Bucket water sampling (BUCKET) * Comment: Estuary sampling by boat

MARDOS_Estuary_S2 (Station 02) * Latitude: -0.849200 * Longitude: -46.588650 * Date/Time: 2017-10-10T13:15:00 * Campaign: * Basis: Sampling on land * Method/Device: Bucket water sampling (BUCKET) * Comment: Estuary sampling by boat

MARDOS_Estuary_S3 (Station 03) * Latitude: -0.878890 * Longitude: -46.596430 * Date/Time: 2017-10-10T14:00:00 * Campaign: * Basis: Sampling on land * Method/Device: Bucket water sampling (BUCKET) * Comment: Estuary sampling by boat

Comment:

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/).

Parameter(s):

#	Name	Short Name	Principal Investigator	Method/Device	Comment
1	Event label	Event	Seidel, Michael
2	Date/Time of event	Date/Time	Seidel, Michael
3	Latitude of event	Latitude	Seidel, Michael
4	Longitude of event	Longitude	Seidel, Michael
5	Mass of molecular formulas	m/z	Seidel, Michael	Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)	mass-to-charge ratio in Dalton (Da)
6	Molecular formula	Formula	Seidel, Michael	Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)
7	Hydrogen/Carbon ratio	H/C	Seidel, Michael	Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)
8	Oxygen/Carbon ratio	O/C	Seidel, Michael	Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)
9	Peak intensity	Peak int	Seidel, Michael	Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)	Relative

License:

Creative Commons Attribution 4.0 International (CC-BY-4.0)

Status:

Curation Level: Enhanced curation (CurationLevelC)

Size:

9476550 data points

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