Recent developments in liquid chromatography time-of-flight mass spectrometry (LC-TOF-MS) methodologies have allowed the discovery of untargeted environmental contaminants.  In particular, evaluation of environmental metabolites and degradation products of well-known compounds (such as pharmaceuticals and pesticides) is now possible due to molecular formula identifications at the sub-ppm mass accuracy error.  Furthermore, specific accurate mass tools including the use of molecular extraction software packages, databases, isotope filters and profiling of data have been successful in identifying not only parent compounds but also the related metabolites in environmental samples.  In this presentation, examples of identifications of pharmaceutical metabolites and pesticide degradation products in water, soil and plant samples, covering a broad range of applications in the environmental field, including hydraulic fracturing, will be given.  The specific approach that was applied using time-of-flight mass spectrometry detection will also be discussed in each case, and the description on how the identifications were made and the detailed tools that were used will be shown.<br/>

LC/Q-TOF-MS for the identification of environmental metabolites and degradation products

253rd National Meeting (2017)

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