This post is written with two particular students in mind. I could put this in a pdf and email it, but why not share with the wider world since other people may encounter the same issues?
See here for part II: http://verahill.blogspot.com.au/2013/07/480-ms-data-part-ii-plotting-and.html
1. Exporting data from wsearch32
To install wsearch32 under wine, see here: http://verahill.blogspot.com.au/2013/01/321-wsearch32-in-wine.html
In order to export data from wsearch so that you can plot it in e.g. gnuplot, octave, origin or excel, do the following:
Open a spectrum (chromatogram) and pick a slice, then click on the M/I icon in the bottom right:
And save as e.g. csv (comma separated file)
2. Using formula finder in Matthew Monroe's Molecular Weight Calculator
To install the molecular weight calculator in wine, see here: http://verahill.blogspot.com.au/2012/09/matt-monroes-molecular-weight.html
Open the molecular weight calculator and go to edit abbreviations.
We'll be looking for Ga, NO3, MeOH, O, H, MeO. Then click on Formula Finder Options:
You can do fancier stuff, e.g. searching directly for the m/z and bound the search to min/max amounts of different elements: