Morning everyone
l am looking for software tool that will create a mass spectra of the theoretical library of peptides/peptidomemtic. Any suggestions advice. We need to verify the experimental data that we have. Thank you in advance
Hi Adam,
Do you want to calculate the theoretical isotope distribution of your peptides/peptidomimetics, or would you like to generate theoretical fragmentation (MS/MS) data to confirm that acquired for your samples?
I think both can be done using software like Protein Prospector (http://prospector.ucsf.edu/prospector/mshome.htm). That will not necessarily generate spectra, but will provide the m/z values of all theoretical fragments that can be formed using a specfic type of dissociation.
Good luck!
Hi Eef
The issue is that we have synthesized a combinatorial peptide like library (over 6000 compunds) and in order to prove the quality of this mixture we would like to compare theoretical MS spectrum with data that we have already. I found this method will be effective but so far I have no software to create such library spectrum using any software. The software should show m/z versus distribution.
best
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