Inquiry regarding input MS peak list

MetaboAnalyst
,
1

Hi! I am trying to run functional analysis with a list of “mz”, “rt”, and “p.value” with MetaboAnalyst. For the sample input MS peak list for in analysis path “From MS Peaks to
Functions”, it seems like the MS peak list include all isotopes as well, not just the molecular ions. Therefore, should we filter the input list to include only molecular ions, or should it contain all detected peaks.

thank you for your time.

2

The input should be “complete” peak list. You do not need to manually clean the peaks. The putative annotation step will use isotope and adducts for compound annotation.