I occasionally analyze intact proteins using ESI-MS on a VelosPro instrument. The intact mass of proteins can be calculated from their isotopically resolved MS spectra using Xtract algorithm within Thermo Scientific Xcalibur software, if they are not, I currently export the data as .txt and analyze it Bioanalyst running on our computers. I'm wondering if anybody knows a reliable freeware 'one-stop-solution' for determining the intact molecular weight of proteins analyzed by ESI-MS that can do both charge deconvolution AND isotopically resolved peaks obtained from a hi res instrument like an orbitrap?
Thanks!
Alex
There was a free program called MagTran that did a nice job with charge state transforms (so-called "deconvolution"). It is based on the z-score algorithm published bu Zhang and Marshall and can accept text-format mass spectra. I don't know if it is still available from the site listed on this page, but it is worth trying.
http://www.ionsource.com/links/programs.htm
Hi Alejdandro,
TopPIC (http://proteomics.informatics.iupui.edu/software/toppic/index.html)
http://bioinformatics.oxfordjournals.org/content/early/2016/07/14/bioinformatics.btw398.long
I haven't used it but it might be useful to you.
Hi Alejandro
Could you find a good software? I ask it because I am in the same situation but havent find a proper software yet........So in case you had please share the info. thx Balazs
I've tried mMass which has a nice UI: http://www.mmass.org/
It needs a little manual peak picking and charge determination, but can do both isotope resolved (hi-res data) and not (low res, or high mass proteins in not-enough-high-res instrument ;-) ) It can also generate a graphical deconvoluted spectra. There is a video tutorial that explains the process:
https://www.youtube.com/watch?v=j8cVWhX-ufg
Other than that, this is still an area for some generous freeware bioinformatician software developer to explore.
Good luck!
I have the chromatogram and spectrum as well, can anybody please help me to interpret the data?
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