Description: We studied dissolved organic matter (DOM) dynamics in the anoxic basin Mariager Fjord, Gotland Basin, and Black Sea. Therefore, we performed a mass spectrometric analysis of DOM extracts via FT-ICR MS on a 15 Tesla solariX XR Fourier-transform ion cyclotron resonance mass spectrometer (Bruker Daltonik GmbH, Bremen, Germany). The system was equipped with an electrospray ionization source (ESI, Bruker Apollo II) applied in negative ionization mode. Methanol extracts were mixed with ultrapure water (50:50 v/v) for FT-ICR MS analysis and diluted to a final DOC concentration of 2.5 mg C/L. 200 single scans with an ion accumulation time of 0.1 s were recorded over a mass range of m/z 100 to 1,000 Da and added to one spectrum. Data processing, molecular formula assignments, and compound category classifications were done with the software pipeline ICBM-OCEAN. All sample data was normalized to the intensity sum of 1. FT-ICR-MS data from Mariager Fjord (Denmark), Gotland Basin (Baltic Sea), Black Sea, and an abiotic (de)oxygenation experiment are provided. The data consists of the molecular formula with corresponding m/z measured at an FT-ICR-MS and relative intensities for each sample of these molecular formulas. Additionally, we included common molecular parameters, including H/C, O/C and S/C ratios for each molecular formula.
Global identifier:
Doi(
"10.1594/PANGAEA.995987",
)
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",
"Peak intensity",
"Phosphorus, number of atoms",
"Presence/absence",
"Sulfur, number of atoms",
"Sulfur/Carbon ratio",
],
methods: [
"Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR-MS)",
],
},
)
Tags: Methanol ? Kohlenstoff ? Phosphor ? Stickstoff ? Wasserstoff ? Deutschland ? Software ? Datenverarbeitung ? Wasseruntersuchung ? Daten ? Klassifikation ? Rohrleitung ? Ostsee ? Schwarzes Meer ? Anoxia ? Baltic Sea/Gotland Basin ? DOM ? Denmark/Mariager Fjord ? FT-ICR MS ? Ocean deoxygenation ? hypoxia ? incubation experiment ? water column ?
Region: Baltic Sea
Bounding boxes: 10° .. 31.16692° x 43.13351° .. 57.283389°
License: Creative Commons Namensnennung 4.0 (Data access requires registration)
Language: Englisch/English
Modified: 2026-07-14
Last harvest: 20.07.2026 01:40
Time ranges: 2019-11-08 - 2023-08-27
Accessed 4 times.