GNPS - Ulnaria_parasites_temperature_cell_profiling

Comparison of metabolic profiling from algal cell extracts using UHPLC-HRMS (Orbitrap Q Exactive). Benthic diatom Ulnaria were healthy or infected with either chytrid or oomycete parasites, and subjected to temperature increase. Data from 20231125_xx was analyzed using C18 column, data from 20251125_xx_zh was analyzed using Zic-Hilic column; both dataset consists of cell profiling with polarity switch (MS1) and ddMS acquisition on the QC pool sample in positive and negative polarity (indicated by neg_ID or pos_ID in the title name). QC pool blank was also run with the polarity switch to acquire MS1 data. Data from 20241222_xx was analyzed using RP18 column, in negative polarity and using ddMS acquisition for all samples, including blank and QC pool sample.
In supplementary files are the study and result files from Compound Discoverer, the metadata table with normalization factor, sample code and condition, and the resulting peak lists after peak deconvolution that were used for annotation (.xls) and for statistical analysis in MetaboAnalyst (.csv)