Identification of phase I metabolites of cardiovascular and anti-ulcer drugs in surface water samples with liquid-chromatography-mass spectrometry methods.

In our study we have identified phase I metabolites of cardiovascular and anti-ulcer agents with the application of predictive multiple reaction monitoring (pMRM) methods with liquid-chromatography-triple-quadrupole mass spectrometry (LC-QQQ-MS) in surface water samples. Targeted accurate mass spectrometry measurements were also carried out for confirmation with liquid-chromatography-time-of-flight mass spectrometry (LC-TOF-MS). pMRM followed by a targeted accurate mass spectrometry measurement can provide a sound basis for the selection of metabolites to be included in analytical methods for the investigation of environmental load of pharmaceuticals. Using LC-QQQ-MS twenty-one metabolites could be identified with two independent transitions at the same retention time and six of them could also be confirmed with LC-TOF-MS.