The Isotopic Data Dependence in the method setup allows for selective triggering of MSn
data for metabolites of interest. Compared to other methods for post-processing of data, multiple mass defect filters allow the user to identify known as well as unknown or unexpected metabolites of interest. Followed by the accurate mass isotope search, this combination is well-suited for taking advantage of accurate mass data for selectively identifying GSH conjugates that have distinct isotope signature patterns.

The availability of both accurate mass full scan and product ion mass spectra in the data allows structure elucidation of the conjugates for a single LC/MSn experiment. Additional examples employing this workflow and more in-depth discussions can be found in reference 8 of the note.

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