de.pangaea.dataset965396 und de.pangaea.dataset965354 dataset PANGAEA
info@pangaea.de
https://www.pangaea.de/ information pointOfContact 2026-07-15T19:37:08Z https://doi.pangaea.de/10.1594/PANGAEA.965396 <gco:CharacterString>Raw mass spectrometric data of a two-endmember laboratory mixing experiment between marine and glacial run-off DOM measured with Fourier-transform Orbitrap mass spectrometry</gco:CharacterString> 2024-12-01T00:04:19 publication https://doi.org/10.1594/PANGAEA.965396 Moye, Fabian
fmoye@uni-bremen.de
https://orcid.org/0000-0002-4632-5033 information author Geuer, Jana K
Jana.Geuer@oru.se
https://orcid.org/0000-0002-9663-5072 information author Burau, Claudia author Harir, Mourad
mourad.harir@helmholtz-munich.de
author Schmitt-Kopplin, Philippe
schmitt-kopplin@helmholtz-muenchen.de
https://orcid.org/0000-0003-0824-2664 information author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Harder, Tilmann https://orcid.org/0000-0003-3173-6806 information author Tebben, Jan
jan.tebben@awi.de
https://orcid.org/0000-0002-2780-2236 information author PANGAEA
info@pangaea.de
https://www.pangaea.de/ information publisher tableDigital Data presented here show the molecular composition of dissolved organic matter (DOM) as part of the MSM56 cruise (Project MECAF, Koch et al. (2019)). Water samples collected from different depths in Kongsfjorden (Svalbard), Fram Strait and Scoresby Sund (Greenland; July 2016; also see Friedrichs et al. (2017)) and were extracted with solid phase extraction following Dittmar et al. (2008). The molecular composition was obtained with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS) with negative electrospray ionization (ESI) on a Solarix 12 T (Bruker Daltonics GmbH, Germany) at the Helmholtz Munich, Research unit Analytical Biogeochemistry, Germany as described in Wünsch et al. (2018). A complementary data set was generated with Fourier-Transform Orbitrap mass spectrometry (FT-Orbitrap-MS) with negative ESI on a Q-Exactive Plus (Thermo Fisher Scientific, Bremen, Germany) at the University of Bremen, Marine Chemistry Group. A small number of samples were insufficient for analysis on both platforms and were measured by FT-ICR-MS only. Molecular formulas were assigned with the Ultra Mass Explorer (UME, www.awi.de/en/ume, Leefmann et al. (2019)). A mixing experiment was conducted between marine and runoff DOM samples and subsequentially measured with FT-Orbitrap-MS. The data set contains the raw peak list as well as the filtered molecular formulas. completed Moye, Fabian
fmoye@uni-bremen.de
https://orcid.org/0000-0002-4632-5033 information principalInvestigator arctic fjord Dissolved Organic Matter Fourier-transform ion cyclotron mass spectrometry glacial melt 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 Identification thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; sample_tag Identification thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; file_id Proportion, marine thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS Proportion, runoff thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS Method comment thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; marine_endmember; marine sample mixed to the runoff sample Mass-to-charge ratio thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS Intensity thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; i_magnitude, theoretical mass of assigned molecular formula Peak resolution thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; mass peak resolution given by the instrument Signal/noise ratio thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS Slope thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; calibration slope Intercept thematicClassification Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; calibration intercept Mass accuracy physicalMeasurement Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; median of mass deviation before calibration, in ppm ppm ppm Mass accuracy physicalMeasurement Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS; median of mass deviation after calibration, in ppm ppm ppm text/tab-separated-values unknown https://doi.pangaea.de/10.1594/PANGAEA.965396?format=textfile 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. Related to <gco:CharacterString>Physical oceanography during MARIA S. MERIAN cruise MSM56 (MECAF)</gco:CharacterString> 2017-01-01 publication https://doi.org/10.1594/PANGAEA.871015 Friedrichs, Anna
annafriedrichs@gmx.net
author Schwalfenberg, Kai
kai.schwalfenberg@uol.de
author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Zielinski, Oliver
oliver.zielinski@io-warnemuende.de
https://orcid.org/0000-0002-6018-5030 information author documentDigital Institute for Chemistry and Biology of the Marine Environment, Carl von Ossietzky Universität Oldenburg Related to <gco:CharacterString>Influx and mixing of glacier-derived dissolved organic matter in two Arctic fjords, Scoresby Sund (Greenland) and Kongsfjorden (Svalbard)</gco:CharacterString> Moye, Fabian
fmoye@uni-bremen.de
https://orcid.org/0000-0002-4632-5033 information author Geuer, Jana K
Jana.Geuer@oru.se
https://orcid.org/0000-0002-9663-5072 information author Burau, Claudia author Harir, Mourad
mourad.harir@helmholtz-munich.de
author Schmitt-Kopplin, Philippe
schmitt-kopplin@helmholtz-muenchen.de
https://orcid.org/0000-0003-0824-2664 information author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Harder, Tilmann https://orcid.org/0000-0003-3173-6806 information author Tebben, Jan
jan.tebben@awi.de
https://orcid.org/0000-0002-2780-2236 information author documentHardcopy Related to <gco:CharacterString>The Molecular Fingerprint of Fluorescent Natural Organic Matter Offers Insight into Biogeochemical Sources and Diagenetic State</gco:CharacterString> 2018-01-01 publication https://doi.org/10.1021/acs.analchem.8b02863 Wünsch, Urban https://orcid.org/0000-0001-6972-6932 information author Acar, Evrim https://orcid.org/0000-0002-3737-292X information author Koch, Boris P
boris.koch@awi.de
https://orcid.org/0000-0002-8453-731X information author Murphy, Kathleen https://orcid.org/0000-0001-5715-3604 information author Schmitt-Kopplin, Philippe
schmitt-kopplin@helmholtz-muenchen.de
https://orcid.org/0000-0003-0824-2664 information author Stedmon, Colin A
cost@aqua.dtu.dk
https://orcid.org/0000-0001-6642-9692 information author documentDigital Analytical Chemistry 90(24) 14188-14197