Hi Leonard, I think this is what you're looking for:

http://tools.proteomecenter.org/wiki/index.php?title=Software:SpectraST#Se
mi-empirical_Spectrum_Generation

Regards,
Eric


> -----Original Message-----
> From: [email protected] [mailto:spctools-
> [email protected]] On Behalf Of Leonard Foster
> Sent: Sunday, September 02, 2012 10:21 PM
> To: spctools-discuss
> Subject: [spctools-discuss] SpectraST and stable isotope labels
>
> Hi all
>
> I haven't found an answer to my question on this Group or the
> SpectraST wiki. Thus, I suspect the answer is 'no' but if not, I'm
> hoping someone here can tell me.
>
> The question is, if the spectra for a particular isotopically labelled
> form of a peptide does not exist in the spectral library but a
> differently labelled form does, can/does SpectraST adapt the spectra
> to what would be expected? For example, if LLAGTK (no label) exists in
> the spectral library but you have a SILAC-labelled sample (with normal
> Lys and D4-Lys) containing LLAGTK, can the algorithm do two searches,
> one a direct comparison and the second where all Y-ions are shifted by
> 4 Da?
>
> Thanks
>
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