Variables: total_organic_carbon Substances: 1-[(4-Chlorophenyl)phenylmethyl]piperazine (UZKBSZSTDQSMDR UHFFFAOYSA-N) 1-Propanesulfonate (KCXFHTAICRTXLI-UHFFFAOYSA-N) 3-5-Diiodo-L-tyrosine (NYPYHUZRZVSYKL-ZETCQYMHSA-N) Keywords: MetFrag high resolution mass spectrometry