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

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. 2024: https://doi.org/10.1021/acs.est.3c07219). 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)