de.pangaea.dataset965356 und de.pangaea.dataset965354 dataset PANGAEA
info@pangaea.de
https://www.pangaea.de/ information pointOfContact 2026-04-29T19:33:33Z https://doi.pangaea.de/10.1594/PANGAEA.965356 <gco:CharacterString>Raw mass spectrometric data measured with Fourier-transform ion cyclotron resonance mass spectrometry</gco:CharacterString> 2024-12-01T00:04:19 publication https://doi.org/10.1594/PANGAEA.965356 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 -28.31633 12.44067 70.09933 79.0215 2016-07-02T09:16:00 2016-07-19T17:20:00 1.5 1397.4 Event label thematicClassification Date/Time of event thematicClassification Latitude of event thematicClassification Longitude of event thematicClassification Identification thematicClassification Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS); sample_tag DEPTH, water physicalMeasurement Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) m m Identification thematicClassification Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS); file_id Identification thematicClassification Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS); sample_id Mass-to-charge ratio thematicClassification Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) Intensity thematicClassification Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS); i_magnitude Signal/noise ratio thematicClassification Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS) Peak resolution thematicClassification Fourier transform ion cyclotron resonance mass spectrometer (FT-ICR MS); mass peak resolution given by the instrument text/tab-separated-values unknown https://doi.pangaea.de/10.1594/PANGAEA.965356?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. EVENT LABEL: MSM56_551-1 * LATITUDE: 79.021500 * LONGITUDE: 11.303000 * DATE/TIME: 2016-07-02T09:16:00 * ELEVATION: -339.2 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-02T09:16:00 EVENT LABEL: MSM56_553-1 * LATITUDE: 78.966500 * LONGITUDE: 12.379000 * DATE/TIME: 2016-07-03T04:08:00 * ELEVATION: -71.5 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-03T04:08:00 EVENT LABEL: MSM56_553-7 * LATITUDE: 78.966000 * LONGITUDE: 12.384830 * DATE/TIME: 2016-07-03T06:43:00 * ELEVATION: -65.8 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: Rubber boat, Zodiac Sampling on land 2016-07-03T06:43:00 EVENT LABEL: MSM56_555-1 * LATITUDE: 78.896830 * LONGITUDE: 12.440670 * DATE/TIME: 2016-07-03T12:03:00 * ELEVATION: -80.4 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-03T12:03:00 EVENT LABEL: MSM56_556-1 * LATITUDE: 78.912670 * LONGITUDE: 12.180500 * DATE/TIME: 2016-07-03T16:47:00 * ELEVATION: -98.2 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-03T16:47:00 EVENT LABEL: MSM56_557-3 * LATITUDE: 78.954170 * LONGITUDE: 11.956170 * DATE/TIME: 2016-07-04T06:12:00 * ELEVATION: -342.7 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-04T06:12:00 EVENT LABEL: MSM56_558-1 * LATITUDE: 78.978170 * LONGITUDE: 11.730170 * DATE/TIME: 2016-07-04T10:44:00 * ELEVATION: -302.0 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-04T10:44:00 EVENT LABEL: MSM56_559-1 * LATITUDE: 79.011330 * LONGITUDE: 11.427330 * DATE/TIME: 2016-07-04T13:33:00 * ELEVATION: -349.6 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-04T13:33:00 EVENT LABEL: MSM56_560-1 * LATITUDE: 79.021000 * LONGITUDE: 11.305830 * DATE/TIME: 2016-07-04T16:48:00 * ELEVATION: -338.8 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-04T16:48:00 EVENT LABEL: MSM56_561-1 * LATITUDE: 78.979500 * LONGITUDE: 9.497170 * DATE/TIME: 2016-07-05T04:03:00 * ELEVATION: -225.1 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-05T04:03:00 EVENT LABEL: MSM56_562-1 * LATITUDE: 78.932670 * LONGITUDE: 8.545170 * DATE/TIME: 2016-07-05T08:04:00 * ELEVATION: -302.0 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-05T08:04:00 EVENT LABEL: MSM56_563-1 * LATITUDE: 78.906500 * LONGITUDE: 7.770830 * DATE/TIME: 2016-07-05T10:51:00 * ELEVATION: -1137.2 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-05T10:51:00 EVENT LABEL: MSM56_569-1 * LATITUDE: 74.999830 * LONGITUDE: -8.999830 * DATE/TIME: 2016-07-08T15:23:00 * ELEVATION: -3286.7 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-08T15:23:00 EVENT LABEL: MSM56_570-1 * LATITUDE: 74.999500 * LONGITUDE: -13.000830 * DATE/TIME: 2016-07-09T06:31:00 * ELEVATION: -652.5 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-09T06:31:00 EVENT LABEL: MSM56_571-1 * LATITUDE: 71.999670 * LONGITUDE: -20.000330 * DATE/TIME: 2016-07-10T06:00:00 * ELEVATION: -246.7 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-10T06:00:00 EVENT LABEL: MSM56_575-1 * LATITUDE: 70.099330 * LONGITUDE: -20.999670 * DATE/TIME: 2016-07-11T11:19:00 * ELEVATION: -437.1 m * LOCATION: Iceland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-11T11:19:00 EVENT LABEL: MSM56_580-1 * LATITUDE: 71.909670 * LONGITUDE: -28.316330 * DATE/TIME: 2016-07-12T18:25:00 * ELEVATION: -1084.9 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-12T18:25:00 EVENT LABEL: MSM56_582-1 * LATITUDE: 71.932670 * LONGITUDE: -28.120670 * DATE/TIME: 2016-07-13T10:44:00 * ELEVATION: -560.2 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-13T10:44:00 EVENT LABEL: MSM56_584-1 * LATITUDE: 71.784000 * LONGITUDE: -27.672500 * DATE/TIME: 2016-07-14T04:26:00 * ELEVATION: -1484.7 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-14T04:26:00 EVENT LABEL: MSM56_586-1 * LATITUDE: 71.668330 * LONGITUDE: -27.276330 * DATE/TIME: 2016-07-14T11:02:00 * ELEVATION: -1417.6 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-14T11:02:00 EVENT LABEL: MSM56_589-1 * LATITUDE: 71.619830 * LONGITUDE: -27.672000 * DATE/TIME: 2016-07-15T08:03:00 * ELEVATION: -255.4 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: Rubber boat, Zodiac Sampling on land 2016-07-15T08:03:00 EVENT LABEL: MSM56_590-1 * LATITUDE: 71.533330 * LONGITUDE: -26.965670 * DATE/TIME: 2016-07-15T10:25:00 * ELEVATION: -1216.7 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-15T10:25:00 EVENT LABEL: MSM56_593-1 * LATITUDE: 71.526330 * LONGITUDE: -26.021000 * DATE/TIME: 2016-07-16T06:28:00 * ELEVATION: -1220.8 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-16T06:28:00 EVENT LABEL: MSM56_595-1 * LATITUDE: 71.347830 * LONGITUDE: -25.323000 * DATE/TIME: 2016-07-17T06:27:00 * ELEVATION: -1249.2 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-17T06:27:00 EVENT LABEL: MSM56_598-1 * LATITUDE: 71.230670 * LONGITUDE: -25.163170 * DATE/TIME: 2016-07-18T14:51:00 * ELEVATION: -554.2 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-18T14:51:00 EVENT LABEL: MSM56_599-1 * LATITUDE: 70.843330 * LONGITUDE: -24.961500 * DATE/TIME: 2016-07-19T04:09:00 * ELEVATION: -358.4 m * LOCATION: North Greenland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-19T04:09:00 EVENT LABEL: MSM56_600-1 * LATITUDE: 70.484000 * LONGITUDE: -24.669330 * DATE/TIME: 2016-07-19T09:20:00 * ELEVATION: -504.7 m * LOCATION: Iceland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-19T09:20:00 EVENT LABEL: MSM56_601-2 * LATITUDE: 70.299000 * LONGITUDE: -23.697500 * DATE/TIME: 2016-07-19T12:11:00 * ELEVATION: -491.4 m * LOCATION: Iceland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-19T12:11:00 EVENT LABEL: MSM56_602-1 * LATITUDE: 70.182170 * LONGITUDE: -22.733500 * DATE/TIME: 2016-07-19T17:20:00 * ELEVATION: -543.6 m * LOCATION: Iceland Sea * CAMPAIGN: MSM56 * BASIS: Maria S. Merian * METHOD/DEVICE: CTD/Rosette 2016-07-19T17:20:00 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