Variables: dissolved_oygen dissolved_organic_carbon concentration pH Substances: 1-Propanesulfonate (KCXFHTAICRTXLI-UHFFFAOYSA-N) 1-(3-Trifluoromethylphenyl)-piperazine (KKIMDKMETPPURN-UHFFFAOYSA-N) Keywords: MetFrag high resolution mass spectrometry