Can I apply CCQ fragmentation without cleaving rings?

User 672b69ece3

18-09-2013 09:35:55

Hi,


I am currently using the CCQ fragmentation method through API. By default, CCQ does not open aromatic rings, and I also use the option to leave aliphatic rings intact.


However, I'd rather be more interested in not opening any ring system at all. Unfortunately, I think that this option is not available through API.


Do you have a suggestion to address this issue?


Many thanks in advance,


Miquel

ChemAxon d76e6e95eb

30-09-2013 12:44:53

Have you tried emulating the CCQ fragmentation with the transformation based fragmentation? It can preserve aliphatic rings, just create a single transform cleaving single bond between two carbon atoms next to a hetero atom.