<?xml version="1.0" encoding="UTF-8"?><resource xsi:schemaLocation="http://datacite.org/schema/kernel-4 http://schema.datacite.org/meta/kernel-4.3/metadata.xsd" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns="http://datacite.org/schema/kernel-4"><identifier identifierType="DOI">10.1594/PANGAEA.965396</identifier><creators><creator><creatorName>Moye, Fabian</creatorName><givenName>Fabian</givenName><familyName>Moye</familyName><nameIdentifier schemeURI="http://orcid.org/" nameIdentifierScheme="ORCID">0000-0002-4632-5033</nameIdentifier><affiliation affiliationIdentifierScheme="ROR" affiliationIdentifier="https://ror.org/04ers2y35">University of Bremen</affiliation></creator><creator><creatorName>Geuer, Jana K</creatorName><givenName>Jana K</givenName><familyName>Geuer</familyName><nameIdentifier schemeURI="http://orcid.org/" nameIdentifierScheme="ORCID">0000-0002-9663-5072</nameIdentifier></creator><creator><creatorName>Burau, Claudia</creatorName><givenName>Claudia</givenName><familyName>Burau</familyName></creator><creator><creatorName>Harir, Mourad</creatorName><givenName>Mourad</givenName><familyName>Harir</familyName></creator><creator><creatorName>Schmitt-Kopplin, Philippe</creatorName><givenName>Philippe</givenName><familyName>Schmitt-Kopplin</familyName><nameIdentifier schemeURI="http://orcid.org/" nameIdentifierScheme="ORCID">0000-0003-0824-2664</nameIdentifier></creator><creator><creatorName>Koch, Boris P</creatorName><givenName>Boris P</givenName><familyName>Koch</familyName><nameIdentifier schemeURI="http://orcid.org/" nameIdentifierScheme="ORCID">0000-0002-8453-731X</nameIdentifier><affiliation affiliationIdentifierScheme="ROR" affiliationIdentifier="https://ror.org/032e6b942">Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven</affiliation></creator><creator><creatorName>Harder, Tilmann</creatorName><givenName>Tilmann</givenName><familyName>Harder</familyName><nameIdentifier schemeURI="http://orcid.org/" nameIdentifierScheme="ORCID">0000-0003-3173-6806</nameIdentifier></creator><creator><creatorName>Tebben, Jan</creatorName><givenName>Jan</givenName><familyName>Tebben</familyName><nameIdentifier schemeURI="http://orcid.org/" nameIdentifierScheme="ORCID">0000-0002-2780-2236</nameIdentifier><affiliation affiliationIdentifierScheme="ROR" affiliationIdentifier="https://ror.org/032e6b942">Alfred Wegener Institute, Helmholtz Centre for Polar and Marine Research, Bremerhaven</affiliation></creator></creators><titles><title>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</title></titles><publisher>PANGAEA</publisher><publicationYear>2024</publicationYear><subjects><subject>arctic fjord</subject><subject>Dissolved Organic Matter</subject><subject>Fourier-transform ion cyclotron mass spectrometry</subject><subject>glacial melt</subject><subject>molecular composition</subject><subject>Orbitrap</subject><subject subjectScheme="Parameter">Identification</subject><subject subjectScheme="Parameter">Proportion, marine</subject><subject subjectScheme="Parameter">Proportion, runoff</subject><subject subjectScheme="Parameter">Method comment</subject><subject subjectScheme="Parameter">Mass-to-charge ratio</subject><subject subjectScheme="Parameter">Intensity</subject><subject subjectScheme="Parameter">Peak resolution</subject><subject subjectScheme="Parameter">Signal/noise ratio</subject><subject subjectScheme="Parameter">Slope</subject><subject subjectScheme="Parameter">Intercept</subject><subject subjectScheme="Parameter">Mass accuracy</subject><subject subjectScheme="Method">Fourier-Transform Orbitrap mass spectrometry, FT-Orbitrap-MS</subject></subjects><resourceType resourceTypeGeneral="Dataset">Dataset</resourceType><relatedIdentifiers><relatedIdentifier relatedIdentifierType="DOI" relationType="IsPartOf">10.1594/PANGAEA.965354</relatedIdentifier><relatedIdentifier relatedIdentifierType="DOI" relationType="References">10.1594/PANGAEA.871015</relatedIdentifier><relatedIdentifier relatedIdentifierType="DOI" relationType="References">10.1021/acs.analchem.8b02863</relatedIdentifier></relatedIdentifiers><sizes><size>3088085 data points</size></sizes><formats><format>text/tab-separated-values</format></formats><rightsList><rights rightsURI="https://creativecommons.org/licenses/by/4.0/" schemeURI="https://spdx.org/licenses/" rightsIdentifierScheme="SPDX" rightsIdentifier="CC-BY-4.0">Creative Commons Attribution 4.0 International</rights></rightsList><descriptions><description descriptionType="Abstract">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.</description></descriptions></resource>