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Topic: Processing GC x GC-MS data (Read 191 times) previous topic - next topic

Processing GC x GC-MS data

Hi,
Does anybody know if MS-DIAL is capable of processing GC x GC-MS data ?
If not, any recommended open-source tools?

Best,
Sukis

Re: Processing GC x GC-MS data

Reply #1
Hi,
Wish it did! Would have made my Postdoc life way easier!
No solutions that are non-MATLAB till now.

AMDIS from NIST DOES handle it, well or not, not sure, but can load and annotate!: )

The closest comes to mind is RGCXGC on CRAN:https://cran.r-project.org/web/packages/RGCxGC/vignettes/Explanation.html  / https://github.com/DanielQuiroz97/RGCxGC  and osd from Xavier Domingo-Almenara : https://cran.r-project.org/web/packages/osd/index.html . Both should be fine but I have never tried them!

r2d2web is another solution: https://www.eposters.net/pdfs/r2d2web-a-comprehensive-gc-open-software-and-colaborative-database-to-analize-metabolomic-data-from.pdf

The GCXGC field is such monopolized by vendors and their expensive solutions, its  a pity! Any other stand alone solutions are SUPER EXPENSIVE and not so user friendly at all. Such as: GCImage https://www.gcimage.com/gcxgc/ or Decodon https://www.decodon.com/  that are excruciatingly expensive!

Thanks,
Biswa

Re: Processing GC x GC-MS data

Reply #2
Thanks for your hints Biswa.

Best,
Sukis