We have worked on merging PQD and CID spectra for iTRAQ before. Raw could be
converted to mgf using extract_msn.exe packed in Sequest/Bioworks. I can
provide a script to merge spectra with reporter peaks if you need. You may
find some description of the method in JPR.7:4831.
Now I have also developed some script to extract spectra with reporters from
mzXML directly, which I think is more convenient. I have not tried HCD with
my script, but I think it won't be too difficult to take a try if you
provide some example data.

cheers,
Tiannan

On Sat, Nov 6, 2010 at 12:23 AM, dctrud <[email protected]>wrote:

> There is an ExPASy tool to merge CID/HCD spectra from a Mascot MGF
> format peaklist for this purpose. Can you go from RAW/MzXML/MzML into
> MGF, use this tool, and then convert to dta for SEQUEST? We've done
> iTRAQ on an XL, but only using PQD not mixed CID/HCD, so it's just a
> suggestion to try, can't say I've tried it.
>
> http://expasy.org/tools/HCD_CID_merger.html
>
> Cheers,
>
> DT
>
> http://expasy.org/tools/HCD_CID_merger.html
>
> On Nov 4, 7:15 pm, parimal samir <[email protected]> wrote:
> > I am using LTQ Orbitrap XL for iTRAQ or TMT based quantitation. I
> > fragment the peptide using CID in ion trap to get the sequence
> > information. I use HCD fragmentation with high fragmentation energy to
> > get the reporter ion spectra. Since, the reporter ion spectra and
> > sequence spectra are in different scan events, I would assume that
> > once converted to .dta, these spectra will be in different .dta files.
> > So my question is there a way that SEQUEST can be used to identify the
> > peptides in such a way that downstream quantitation tool can use the
> > corresponding reporter ions information for quantitation in this case?
> > If not, can I somehow merge the two spectra so that I will have both
> > the information in the same .dta file? Then I can use Scaffold or
> > Libra for quantitation.
>
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