The filtering of the annotation results was done using a script part of the Inventa . For the filtering of the GNPS annotations, the following parameters were established: max_ppm_error:5,shared_peaks: 10, min_cosine: 0.6, ionization_mode: 'pos', max_spec_charge: 2. For the filtering of the ISDB annotations, the following parameters were used: min_score_final: 0.3, min_ZODIACScore: 0.9, and min_ConfidenceScore: 0.25. Only chemical classes with a min_class_confidence of 0.8 were further considered.