Isotopic abundance on LC/MS

[Provetech]

Hi, i'm looking for a freeware for a predicitve isotopic abundance calculation of LC/MS ESI signals: i.e a C20H12N3 molécule givex %for M+1(C13+N15), y% for M+2 etc...
Thanks

[Kostas Petritis]

One of my co-workers had developed a predictive isotopic abundance calculator when he was in grad school which you might download for free:

http://jjorg.chem.unc.edu/personal/monroe/#mwt

[Provetech]

Thank you very much, i'm going to download it !

[Kostas Petritis]

You are wellcome

We have an improved version of the software, that we might release sometime later this year in our website (that was the plan if I remember well)...

[Ary]

As an alternative you could try the isopro freeware available at

http://members.aol.com/msmssoft/

One minor word of warning most software packages work on empirical data. REAL LC-MS data can vary from this.

[james little]

might try

http://www.wsearch.com.au/

installs program in C:\Program Files\WsearchSoftware\Mwt folder

[ikrebs]

you may want to download my chemtools from
http://www.simtel.net/product.php?id=25159
for calculationg isotopic patterns or calculating possible formulae for a given m/z value