de.pangaea.dataset974712 und dataset PANGAEA
info@pangaea.de
https://www.pangaea.de/ information pointOfContact 2026-06-17T17:01:49Z https://doi.pangaea.de/10.1594/PANGAEA.974712 <gco:CharacterString>Dissolved organic matter molecular composition data of exemplary marine water masses resolved by online LC-MS</gco:CharacterString> 2025-04-24T08:18:47 publication https://doi.org/10.1594/PANGAEA.974712 Moye, Fabian
fmoye@uni-bremen.de
https://orcid.org/0000-0002-4632-5033 information author Bareth, Marlo
marlo.bareth@awi.de
author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Tebben, Jan
jan.tebben@awi.de
https://orcid.org/0000-0002-2780-2236 information author Harder, Tilmann https://orcid.org/0000-0003-3173-6806 information author PANGAEA
info@pangaea.de
https://www.pangaea.de/ information publisher tableDigital The unique chromatographic behaviour of DOM was investigated on three exemplary water samples representing coastal DOM, oceanic surface DOM and oceanic refractory DOM. Weddell Sea surface (30 m depth, oceanic surface DOM) and deep water (1356 m depth, refractory DOM) was sampled with a rosette sampler on RV Polarstern during ANT XXII/2 (station PS67/006-130, latitude -67.5633, longitude -55.3448) and are described elsewhere (El Naggar et al., 2007; Koch et al., 2008). 160 L sea water was filtered with 0.2 µm filter cartridges, acidified to pH 2 and pumped through 60 mL solid phase extraction cartridges (PPL, 5 g). DOM was eluted with 40 mL MeOH and stored at -18 °C. Coastal DOM is routinely extracted from southern North Sea (latitude 54.1447, longitude 7.8711) and used as an in-house laboratory standard. Sea water was filtered over 0.2 µm PTFE (Whatman), acidified to pH 2 and extracted with PPL cartridges. After elution with methanol, extracts are stored at -18 °C until measurement to minimize esterification (Flerus et al., 2011). The molecular composition was obtained by two mass spectrometric platforms with negative electrospray ionisation: 1) Fourier Transform Orbitrap mass spectrometer (FT-Orbitrap-MS; Q-Exactive Plus, Thermo Fisher Scientific, Bremen, Germany) coupled to ultra-high performance liquid chromatography (UPLC, Vanquish, Thermo Fisher Scientific, Bremen, Germany); 2) Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS; 7 Tesla scimaX MRMS system, Bruker Daltonics GmbH & Co. KG, Bremen, Germany) coupled to UPLC (Elute LC, Bruker Daltonics GmbH & Co. KG, Bremen, Germany). Reversed phase chromatography was done with a C18 column (Waters AQUITY 2 x 100 mm, 1.7 µm) column at 0.3 mL min 1 and a linear gradient: A (ultrapure water, 4 mmol L 1 ammonium formate) 2 min: 99 %, 11 min: 0 %, 14.9 min: 99 %; B (MeOH, 4 mmol L 1 ammonium formate) 2 min: 1 %, 11 min: 100 %, 14.5 min 100 %, 14.9 min 1 %. completed Dissolved Organic Matter Fourier-transform ion cyclotron mass spectrometry liquid chromatography high-resolution mass spectrometry molecular composition Orbitrap theme <gco:CharacterString>PANGAEA Keyword List</gco:CharacterString> 1995-01-01 creation PANGAEA
info@pangaea.de
https://www.pangaea.de/ information pointOfContact copyright copyright CC-BY-4.0: Creative Commons Attribution 4.0 International textTable und geoscientificInformation -55.3448 7.8711 -67.5633 54.1447 2004-12-29T12:25:00 2004-12-29T12:25:00 application/zip unknown https://doi.pangaea.de/10.1594/PANGAEA.974712?format=zip download dataset The data set was checked for completeness, correctness, and consistency of metainformation. Validity of used methods was checked and - if applicable - precision and range of data. Supplement to <gco:CharacterString>From Retention Time to Functional Group Assignment: A Chemical Database-Driven Approach for High-Resolution Mass Data of Marine Dissolved Organic Matter</gco:CharacterString> 2025-01-01 publication https://doi.org/10.1002/rcm.10043 Moye, Fabian
fmoye@uni-bremen.de
https://orcid.org/0000-0002-4632-5033 information author Bareth, Marlo
marlo.bareth@awi.de
author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Tebben, Jan
jan.tebben@awi.de
https://orcid.org/0000-0002-2780-2236 information author Harder, Tilmann https://orcid.org/0000-0003-3173-6806 information author documentDigital Rapid Communications in Mass Spectrometry 39(13) e10043 Related to <gco:CharacterString>The Expeditions ANTARKTIS-XXII/1 and XXII/2 of the Research Vessel Polarstern in 2004/2005</gco:CharacterString> 2007-01-01 publication https://doi.org/10.2312/BzPM_0551_2007 El Naggar, Saad El Dine
saad.el.naggar@awi.de
https://www.awi.de/en/about-us/organisation/staff/single-view/saad-el-dine-el-naggar.html information author Dieckmann, Gerhard S
gerhard.dieckmann@awi.de
https://www.awi.de/en/about-us/organisation/staff/single-view/gerhard-dieckmann.html information author Haas, Christian
christian.haas@awi.de
https://orcid.org/0000-0002-7674-3500 information author Schröder, Michael
michael.schroeder@awi.de
https://www.awi.de/en/about-us/organisation/staff/single-view/michael-schroeder.html information author Spindler, Michael author documentDigital Berichte zur Polar- und Meeresforschung = Reports on Polar and Marine Research 551 259 pp Related to <gco:CharacterString>Molecular level investigation of reactions between dissolved organic matter and extraction solvents using FT-ICR MS</gco:CharacterString> 2011-01-01 publication https://doi.org/10.1016/j.marchem.2010.12.006 Flerus, Ruth author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Schmitt-Kopplin, Philippe
schmitt-kopplin@helmholtz-muenchen.de
https://orcid.org/0000-0003-0824-2664 information author Witt, Matthias author Kattner, Gerhard
gerhard.kattner@awi.de
https://www.awi.de/en/about-us/organisation/staff/single-view/gerhard-kattner.html information author documentDigital Marine Chemistry 124(1-4) 100-107 Related to <gco:CharacterString>Advanced characterization of marine dissolved organic matter by combining reversed-phase liquid chromatography and FT-ICR-MS</gco:CharacterString> 2008-01-01 publication https://doi.org/10.1016/j.marchem.2008.05.008 Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Ludwichowski, Kai-Uwe
kai-uwe.ludwichowski@awi.de
https://orcid.org/0000-0002-6002-3023 information author Kattner, Gerhard
gerhard.kattner@awi.de
https://www.awi.de/en/about-us/organisation/staff/single-view/gerhard-kattner.html information author Dittmar, Thorsten
thorsten.dittmar@uol.de
https://orcid.org/0000-0002-3462-0107 information author Witt, Matthias author documentDigital Marine Chemistry 111(3-4) 233-241 Related to <gco:CharacterString>UltraMassExplorer: a browser-based application for the evaluation of high-resolution mass spectrometric data</gco:CharacterString> 2019-01-01 publication https://doi.org/10.1002/rcm.8315 Leefmann, Tim
tim.leefmann@awi.de
https://orcid.org/0000-0002-5784-8657 information author Frickenhaus, Stephan
stephan.frickenhaus@awi.de
https://orcid.org/0000-0002-0356-9791 information author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author documentDigital Rapid Communications in Mass Spectrometry 33(2) 193-202