I am searching for databases to compare values of experimentally obtained Kováts index in order to compare them with values obtained by others, for identification purpose. I worked on a GC-MS equiped with a 30 m long- 5%phenyl-95% PDMS column, for the study of volatile compounds in food products.
Yes, you'll find some. Most of the volatiles work is done on a more polar column, so you may not find as many as you'd like for that specific column.
Check with some of the column manufacturers. I've found that they often have quite large databases of things that are not published but that they're happy to share.
You can find retention indices on:
NIST database
http://webbook.nist.gov/cgi/cbook.cgi?ID=C546805&Mask=2000&Type=LINEAR-RI-NON-POLAR-RAMP
or
PHEROBASE
http://www.pherobase.com
by searching for a specific compound
2 more links
http://www.flavornet.org/flavornet.html
http://www.odour.org.uk/lriindex.html
Dear colleagues thanks a lot for your responses. I only knew about two of the databases you mentioned. It will be of great help in my work.
I found
http://www.odour.org.uk/lriindex.html
particularly useful, as you can search compounds by name, but also by LRI search criteria, and you can filter results by column type.
In my opinion the best data base is Nist. You can search VOCs by name or formula, and you have also very interesting and useful information, such as mass spectrum, physical properties, chemical properties… Of course, you have the LRI in different columns, in isothermal analysis, temperature ramp and temperature program (take into account it is not the same). You can also check the equivalent columns (i.e. using this link: http://www.restek.com/Chromatography-Columns/GC-Columns/GC-Column-Cross-Reference-Columns-by-Phase), so you can take as correct LRIs those found for equivalent columns.
Good luck! VOC is an interesting world!
Thanks! Yes of course VOC are interesting, and VOC identification is like a detective work
This is another interesting database to find retention indices and other useful information on volatile compounds
http://www.chemspider.com
I need Kovats index of C33 n-alkyle Cyclohexane, C32 n-alkyle Cyclohexane, C31 n-alkyle Cyclohexane, C30 n-alkyle Cyclohexane, etc
Where can I find kovats retention index of beta diketones
I have tried sites I find one or two beta diketones kovats index values only chemspider
Kind help
I want kovats retention index of
1-(2-aminophenyl)decane-1,3dione
I am not able to find
You can access the database that I know and use: "https://www.pherobase.com/".
You must be a member.
You can become a member very easily and for free.
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