Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS) data of water extracted sediments from a fish pond.

This data set contains processed and quality checked FT-ICR MS data for water extracts from freeze-dried sediments of a fish pond. Sampling and measurement conditions are described in the companion paper (Waldemer et al. 2024, DOI: https://doi.org/10.1016/j.scitotenv.2024.176514). Direct injection LC-FT-ICR MS data were segmented into individual bins of approx one minute and all scans averaged into a single mass spectrum. The segment number (segment) as well as the mean retention time (in min) of the respective spectrum are indicated in the evaluation summary (eval.summary.clean) table.
The archive contains three csv files:
1) 2021_Waldemer_Sediments_SEEFO_formulas.clean_2023-11-08.csv (complete molecular formulas table for all WEOM samples)
2) 2021_Waldemer_Sediments_SEEFO_eval.summary.clean_2023-11-08.csv (aggreagted data for all WEOM samples)
3) Repository_file_definition_2022_03_20.csv (description of all column in the formulas and eval.summary files)