Metabolomic Profiling of Accurate Mass LC-MS/MS Data to Identify Unexpected Environmental Pollutants
29 Apr 2013
This application note describes the use of the new AB SCIEX TripleTOF™ 5600 system for the screening for unexpected environmental pollutants applying statistical data analysis using MarkerView™ Software. The detected compounds were identified based on empirical calculation of the molecular formula, interpretation of MS/MS fragments and mass spectral library searching. The acquired high resolution and accurate mass spectra were further used to quantify the amounts of detected and identified environmental pollutants in a large set of environmental water samples.