I am working with some new drugs and looking for biotransformations. We have done the MS/MS of drug-treated bacterial lysates and found the presence of some signature masses matching the fragments of the mother drug, so we are assuming that it can be the biotransformation of the mother drug.

We have a list of m/z and need to deduce the structure from it.

I have used Agilent QTOF.

Can anyone suggest that how can we do that?

I have used SIRIUS but not helpful.