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

Project
Department ANA - Working Group BioGeoOmics - Published FT-ICR MS datasets
Description
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
Cite as (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
Size
13,8 MB
Data quality
quality assured data
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Metadata Catalogues
Dublin Core
URI
https://www.ufz.de/record/dmp/archive/14331
DOI
10.48758/ufz.14331
Subject
FT-ICR-MS
Natural organic matter
Salt water
Liquid chromatography
Chemodiversity
Publication Date
13.11.2023
Type of data
dataset (structured data in a defined format)
Data quality
quality assured data
Status of data
processed data
derived data
Data format
csv
Creators
Lechtenfeld, Oliver
Kaesler, Jan Michael
Jennings, Elaine
Koch, Boris P.
Publisher
Helmholtz-Zentrum für Umweltforschung
Rights holders
Helmholtz-Zentrum für Umweltforschung
Contact
oliver.lechtenfeld@ufz.de
Time or Period of creation
21.07.2021 - 09.11.2021
Language of the content
English
Update policy
stored data will not be extended
Access permissions
free access