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

Description: 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).

Global identifier:

Doi(
    "10.1594/PANGAEA.995057",
)

Types:
DataMeasurements(
    DataMeasurements {
        domain: Unspecified,
        station: None,
        measured_variables: [
            "Aromaticity index, modified",
            "Carbon, number of atoms",
            "Double bond equivalent",
            "Hydrogen, number of atoms",
            "Hydrogen/Carbon ratio",
            "Mass-to-charge ratio",
            "Molecular formula",
            "Nitrogen, number of atoms",
            "Oxygen, number of atoms",
            "Oxygen/Carbon ratio",
            "Oxygen/Hydrogen ratio",
            "Peak intensity",
            "Phosphorus, number of atoms",
            "Presence/absence",
            "Sulfur, number of atoms",
            "Type of study",
        ],
        methods: [
            "Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)",
        ],
    },
)

Tags: Methanol ? Kohlenstoff ? Phosphor ? Stickstoff ? Wasserstoff ? Deutschland ? Marines Ökosystem ? U-Bahn ? Datenverarbeitung ? Meeresoberfläche ? Studie ? Wasserprobe ? Wasser ? Daten ? DOM ? FT-ICR-MS ? mesocosm study ? sea surface microlayer ?

Bounding boxes: 8.146221° .. 8.146221° x 53.514763° .. 53.514763°

License: Creative Commons Namensnennung 4.0 (Data access requires registration)

Language: Englisch/English

Organisations

Persons

Modified: 2026-06-01

Last harvest: 11.06.2026 01:29

Time ranges: 2023-05-16 - 2023-06-16

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