Re: Atomic composition calculator software

From: David Bostwick (david.bostwick@chemistry.gatech.edu)
Date: Wed Apr 26 2000 - 13:11:46 EDT


At 04:08 PM 4/26/2000 +0000, Juhani Saarinen wrote:

>Dear All,
>
>
>Does anybody know of a freely distributable PC (or Mac) program,
>which would calculate an atomic composition for a measured molecular
>weight?

I found a program a few years ago called MFCalc. Our data systems already have MW calculations built in, but this one works pretty well as a standalone. I don't have a Web site, but a search might turn it up.

You can also check http://base-peak.wiley.com. That's Kermit Murray's mass spec resources page, and there are a lot of links to mass spec software, journals, etc.



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