Liquid chromatography Fourier transform ion cyclotron resonance mass spectrometry (LC-FT-ICR MS) data of ozonated and biodegraded effluent organic matter.

Processed and quality checked FT-ICR MS data for effluent organic matter ozonated with 18O and subjected to 28 days biodegradation. Sampling and measurement conditions are described in the companion paper (Jennings et al. 2025, DOI: https://doi.org/10.1021/acs.est.4c10212). The sample name and number (according to SI Table 2), segment number as well as the retention time (in min) of the respective spectrum are indicated in the evaluation summary table.
The archive contains four csv files:
1) Jennings et al_2024_formulas.clean_2024-11-25.csv (complete molecular formulas table for all samples and segments after blank substraction)
2) Jennings et al_2024_eval.summary.clean_2024-11-25.csv (aggreagted data for all samples and segments)
3) Jennings et al_2024_formulas.final_2024-11-25.csv (final molecular formulas table with ozonation and biodegradation classification)
4) Repository_file_definition_2022_03_20.csv (description of all columns in the formulas and eval.summary files)