Variables: total_organic_carbon pH Substances: 1-(3-Trifluoromethylphenyl)-piperazine (KKIMDKMETPPURN-UHFFFAOYSA-N) 1-Propanesulfonate (KCXFHTAICRTXLI-UHFFFAOYSA-N) 1-Naphthylacetic acid (PRPINYUDVPFIRX-UHFFFAOYSA-N) Keywords: MetFrag