A problem of Fragmenter

User 1ab5b26b13

18-06-2007 07:05:37

Hi, everyone


I have met a problem during fragmentation, In my result, there are so many small molecules and ions(eg HCl, Cl-, Na+), I don't know how to avoid this, in other words, how to edit my "NotList" in my fragmenter.xml? Thanks for your help!

ChemAxon d76e6e95eb

18-06-2007 09:41:44

You might standardize your library before fragmenting. Please see the "Remove Fragment" action of the Standardizer tool:


http://www.chemaxon.com/jchem/doc/user/Standardizer.html

User 1ab5b26b13

19-06-2007 08:47:29

Thanks Gyuri's help, it's very useful~~