I'm working on the chemical profile of essential oil using only the GC-MS without any other support. I recovered 20 hits for each peak, how can I select from those, the more appropriate one belonging to a chemical family of essential oil ( monoterpene, sesquiterpene, oxygenated monoterpenes ...) ??? I don't have either standards or RMN ...
Only, GC-MS report with 20 hits for every peak!
Any suggestions please or any kind of help to perform a good chemical profile?
One of easy ways to resolve this problem, retention index is good factor to recognise correct compounds by comparing your obtained spectra and reference spectra.
Linear alkanes such as decane, dodecane, tetradecane are used as outernal standards, in our study those were used 2*n+10 length alkanes. If you want more information, please see my previous study.
This index leads you to right compounds detection, in 2 references, i.e. indeces and spectra.
Easy done by comparing the retention time of each peak with refrence of terpenes to determine them
Dear Sinko
When you matching similarity index above 90% and find to similar RI (Kovats index, https://www.pherobase.com/). I think automatically compound list is decreased.
Thank you
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