[Psidev-ms-dev] precursor m/z encoding

[Darren K. <Dar...@cs...>]

Hi all,

Just came across an issue in my lab involving precursor encoding.  For  
ms2 scans, we want to know both the isolation m/z and the precursor  
monoisotopic m/z, which may be different.  The isolation m/z is what  
is recorded in the filter string.  The monoisotopic m/z may be  
recorded by the instrument, or it may be calculated by analyzing the  
parent survey scan.

Here's a suggestion for how to encode this:

  <precursor spectrumRef="S2">
        <selectedIonList count="1">
             <selectedIon>
                 <cvParam cvRef="MS" accession="MS:1000040" name="m/z"  
value="796.8"/>
                 <cvParam cvRef="MS" accession="MS:1000xxx"  
name="monoisotopic m/z" value="797.3"/>
             </selectedIon>
        </selectedIonList>
        ...
  </precursor>


Does this seem reasonable?  If so, we'll need a term for "monoisotopic  
m/z" -- we have "monoisotopic mass" only.


Darren


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