Untargeted GC or LC/MS analysis is an area of interest to many. Regardless of whether you are doing TOF or MS/MS experiments (or any other kind of instrumental analysis like NMR), the data handling and processing can become overwhelming very quickly. I don't have the luxury of digging through each peak/spectra or trying to work through the data manually in Excel. What data processing packages or software is currently available or being used? What should someone new to this area be looking for? What's a must have, nice to have, never needed?
As a quick answer, please have a look at existing pipelines for MS data analysis:
http://open-ms.sourceforge.net/ (I recommend this one)
http://tools.proteomecenter.org/wiki/index.php?title=Software:TPP
http://integratedproteomics.com/products/ip2/
(list not exhaustive)
For a more detailed answer it would be important to know what you are aiming for.
Thank you for the links. I've got some digging to do. Specifically, environmental analysis. Something along the lines of "What's in this dust"?
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