Metabolomics Society Forum

Software => MZmine => Topic started by: RLeisso on October 31, 2017, 01:21:14 PM

Title: targeted peak detection vs custom database search
Post by: RLeisso on October 31, 2017, 01:21:14 PM
I'd like to hear your opinion on whether it would be better to use the workflow Mass Detection -> Targeted Peak Detection   or Mass Detection -> Chromatogram Builder -> Smoothing -> Chromatogram Deconvolution -> (removal of isotopes, etc..) Custom Database Search

My goal is simply to get the peak area for a list of 40 compounds.  Whether one uses targeted peak detection or custom database search, the same .CSV library with m/z, retention time, and identity can be used.

Thanks!