Subject: mass spec prediction

From: TOPPER ROBERT <[email-masked]>
Date: Wed, 12 Jul 1995 10:22:03 -0400 (EDT)

Hello all,
I'm writing on behalf of a colleague who does quite a bit
of mass spectroscopy. He would like to acquire a program
which, given a molecular formula, can "predict" the
mass spectrum. He'd prefer it if it ran on a Mac, but
we also have MS/DOS/Windows and UNIX machines available.

Does anyone have any recommendations?

We are aware of the existence of MassSpec 3.0 (Trinity Software)
for Macintosh, but would welcome any comments on the code's
usability, usefulness, etc.. we have a very old version
(1.0) of MassSpec, but it doesn't run under system 7 and it's
pretty clunky under system 6.

many thanks
rqt

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