Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) data of DOM from a transect of the river Elbe

This data set contains processed and quality checked FT-ICR MS data for methanol extracts of DOM from a large European river (Elbe). Sampling and measurement conditions are described in the companion paper (Kamjunke et al. 2025, DOI: https://doi.org/10.1016/j.watres.2025.124613). Direct infusion FT-ICR MS data were acquired in negative ion mode using a 7T scimaX 2xR instrument.
The archive contains three csv files:
1) 2022_Kamjunke_Transekt_formulas.repo_2025-09-18.csv (complete molecular formulas table for all 57 DOM samples)
2) 2022_Kamjunke_Transekt_eval.summary.repo_2025-09-18.csv (aggreagted data for all 57 DOM samples)
3) Repository_file_definition_2022_03_20.csv (description of all column in the formulas and eval.summary files)