Program to calculate molecular formula from exact mass

Ioannis Papayannopoulos (iap@iname.com)
Wed, 06 May 1998 09:18:55 -0400

I am looking for a particular computer program that calculates possible
molecular formulas from an exact mass measurement input (e.g. from high
resolution mass spec data). A few years ago I had found such a (freeware)
program (written for Widnows 3.1, if I recall correctly) by searching the
Internet. However, I no longer have the program, nor do I remember the
program's name or its authors (I am not sure, but I think that the authors
may have been at some NIH or government lab). I have looked at many of the
various mass spec web pages, but with no success. I am familiar with
commercial software that perform such computations, but the program I am
looking is, I believe, superior to what I have seen, and on top of that
it's (legitimately) free. Any help will be appreciated. Thanks.
Ioannis Papayannopoulos
CytoMed, Inc.
Cambridge, MA