search

ctarn / PepPre.jl

Promote peptide identification using accurate and comprehensive precursors. https://doi.org/10.1021/acs.jproteome.3c00293
http://peppre.ctarn.io
4 stars 0 forks source link

Are ouput precursor m/z values already deisotoped? #2

Closed irleader closed 3 months ago

irleader commented 3 months ago

Hi,

I am wondering if the output precursor m/z values from PepPre are already monoisotopic m/z after deisotoping the raw m/z? Such that I do not have to add or minus the mass of a proton on the value to consider other possibilities?

for example, I use fold of 4 to get 4 possible m/z and charge for a MS/MS spectrum, they are: 679.321 and 4+ 679.067 and 4+ 677.382 and 1+ 677.712 and 1+

Do I have to consider the following as possible precursor m/z values? 679.321 + mass of proton, 679.321 - mass of proton 679.067 + mass of proton, 679.067 - mass of proton 677.382 + mass of proton, 677.382 - mass of proton 677.712 + mass of proton, 677.712 - mass of proton

Thanks!

ctarn commented 3 months ago

Hi! Yes. The exported values are m/z values of estimated monoisotopic peaks of precursors, and thus it is not suggested to further add or minus mass of protons.

irleader commented 3 months ago

Thanks a lot for your prompt answer!