Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) data of original arctic ocean seawater (AO) and peat pore water (PPW). 0 14331

Projekt
Department ANA - Working Group BioGeoOmics - Published FT-ICR MS datasets
Beschreibung
Processed and quality checked FT-ICR MS data for original seawater of two samples from the arctic ocean (AO_low, and AO_high) and PPL extracted (AO_high^SPE). In addition peat pore water (PPW_xx^S0) and salt amended peat pore water (PPW_xx^S35) is used, where xx indicates the concentration levels (mg DOC / L). Sampling and measurement conditions are described in the companion paper (Lechtenfeld et al. 2023, doi:xxx). Direct infusion (DI, AO_high^SPE only) and LC-FT-ICR MS (all other sample) data are included. LC-FT-ICR MS data were segmented into individual bins of one minute and all scans averaged into a single mass spectrum. For original peat pore water (PPW_xx^S0) and SPE extracts (AO_high^SPE), 18 segments (7-24 min) are included while for original salt water (AO_low, AO_high, and PPW_xx^S35) only segments 8-18 (14-24 min) are included. The segment number (segment) as well as the retention time (in min) of the respective spectrum are indicated in the evalualtion summary (eval.summary) table.
The archive contains five csv files:
1) Seawater LC-MS method paper_formulas.AO-samples_2023-11-13.csv (complete molecular formulas table for all arctic ocean samples)
2) Seawater LC-MS method paper_eval.summary.AO-samples_2023-11-13.csv (aggreagted data for all arctic ocean samples)
3) Seawater LC-MS method paper_formulas.PPW-samples_2023-11-13.csv (complete molecular formulas table for all peat pore water samples)
4) Seawater LC-MS method paper_eval.summary.PPW-samples_2023-11-13.csv (aggreagted data for all peat pore water samples)
5) Repository_file_definition_2022_03_20.csv (description of all column in the formulas and eval.summary files)
DOI
https://doi.org/10.48758/ufz.14331
Zitiervorschlag (APA)
Lechtenfeld, O., Kaesler, J. M., Jennings, E., & Koch, B. P. (2023). Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) data of original arctic ocean seawater (AO) and peat pore water (PPW). [Data set]. Helmholtz-Zentrum für Umweltforschung. https://doi.org/10.48758/UFZ.14331
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Metadaten Kataloge
Dublin Core
URI
https://www.ufz.de/record/dmp/archive/14331
DOI
10.48758/ufz.14331
Thema
FT-ICR-MS
Natural organic matter
Salt water
Liquid chromatography
Chemodiversity
Veröffenlichungsdatum
13.11.2023
Datenart
Datensatz (in einem definierten Format strukturierte Daten)
Datenqualität
qualitätsgesicherte Daten
Datenstatus
bearbeitete Daten
abgeleitete Daten
Datenformat
csv
Urheber
Lechtenfeld, Oliver
Kaesler, Jan Michael
Jennings, Elaine
Koch, Boris P.
Herausgeber
Helmholtz-Zentrum für Umweltforschung
Rechteinhaber
Helmholtz-Zentrum für Umweltforschung
Kontakt
oliver.lechtenfeld@ufz.de
Zeitpunkt oder -bereich der Erzeugung der Daten
21.07.2021 - 09.11.2021
Sprache des Inhalts
Englisch
Aktualisierungspolitik
Der Datenbestand wird nicht erweitert
Zugriffsrechte
freier Zugriff