Liquid chromatography Fourier transform ion cyclotron resonance mass spectrometry (LC-FT-ICR MS) data from photo-irradiated wastewater treatment effluent 0 15776

Project
Department EAC - Working Group BioGeoOmics - Published FT-ICR MS datasets
Description
Processed and quality checked LC-FT-ICR MS data for wastewater treatment effluent samples measured in ESI negative mode. Sampling and measurement conditions are described in the companion paper (Herzsprung, P.; Sobolev, A.; von Tümpling, W.; Kamjunke, N.; Schwidder, M.; Lechtenfeld, O. J., Temporal Dynamics and Intermediate Product Formation in DOM Phototransformation Revealed by Liquid Chromatography Ultrahigh-Resolution Mass Spectrometry. Environ. Sci. Technol. 2025. https://doi.org/10.1021/acs.est.5c01986).

The sample name, LC-segment number as well as the retention time (in min) of the respective spectrum are indicated in the evaluation summary table.
The archive contains three csv files:
1) Herzsprung et al_2025_formulas_2025-05-07.csv (complete molecular formulas table for all samples and segments)
2) Herzsprung et al_2025_eval.summary_2025-05-07.csv (aggreagted data for all samples and segments)
3) Repository_file_definition_2022_03_20.csv (description of all columns in the formulas and eval.summary files)
DOI
https://doi.org/10.48758/ufz.15776
Cite as (APA)
Herzsprung, P., Sobolev, A., Kaesler, J. M., Von Tümpling, W., Kamjunke, N., & Lechtenfeld, O. (2025). Liquid chromatography Fourier transform ion cyclotron resonance mass spectrometry (LC-FT-ICR MS) data from photo-irradiated wastewater treatment effluent (Version 1.0) [Data set]. Helmholtz-Zentrum für Umweltforschung. https://doi.org/10.48758/UFZ.15776
Size
35,6 MB
License and Terms of Use
LICENSE and TERMS OF USE
Data quality
quality assured data
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Metadata Catalogues
Dublin Core
URI
https://www.ufz.de/record/dmp/archive/15776
DOI
10.48758/ufz.15776
Subject
FT-ICR-MS
WWTP
Wastewater effluent
TiO2
photo irradiation
RP-LC-FT-ICR-MS
Effluent organic matter
Liquid chromatography
Publication Date
07.05.2025
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
Herzsprung, Peter
Sobolev, Aleksandr
Kaesler, Jan Michael
Von Tümpling, Wolf
Kamjunke, Norbert
Lechtenfeld, Oliver
Publisher
Helmholtz-Zentrum für Umweltforschung
Rights holders
Helmholtz-Zentrum für Umweltforschung
Contact
oliver.lechtenfeld@ufz.de
Time or Period of creation
24.03.2022 - 24.03.2022
Language of the content
English
Version
1.0
Update policy
stored data will not be extended
Access permissions
free access