fragmentation

User 9d75a253ab

03-05-2009 15:57:53

Hi, I need some help with fragmentation of 2,4,5,6-tetrachloro-m-xylene. I need full mechanism of pathways fragmentation that substance. Can someone help me? I will be really greatful.


 

ChemAxon d76e6e95eb

04-05-2009 12:01:19

I moved this topic from Marvin to here. I am not sure, that I clearly understand your question. Are you using fragmenter, or another tool to generate fragments? You are talking about pathways too, are you referring to metabolites?

User 9d75a253ab

04-05-2009 14:47:05

I need all fragments formated of fragmentation and mark movements of electrons or protons etc.


I used fragmenter but it doesnt show that motions.


Sth like in attachment. That is what i have to finish.

ChemAxon d76e6e95eb

06-05-2009 09:01:45

Fragmenter can break down molecules into smaller pieces like building blocks to toxicophores, please read its documentation to find out what Fragmenter is good for. You can draw such flow diagrams in Marvin and you can generate resonant structures of a given molecule with the resonance plugin. You can enumerate products of a reaction even in combichem mode with Reactor, but none of the tools mentioned here will automatically create you an ionized fragmentation scheme you expect.

User 9d75a253ab

07-05-2009 01:58:37

I have problem with downloading Calculator plugins, if u could insert any link how can i get it, i will be grateful to you for your help.

ChemAxon e08c317633

07-05-2009 07:13:19

Calculator Plugins are included in Marvin Beans, and also in JChem packages. Download page: http://www.chemaxon.com/download.html


Zsolt

User 9d75a253ab

11-05-2009 18:37:36

I have question, what should i to do when 'structural frameworks' n 'resonance' are inaccessible?

ChemAxon d76e6e95eb

11-05-2009 19:15:06

What do you mean on "inaccessible"? Are you trying to use these plugins from the Tools menu of Marvin? Are they missing, disabled, or do you get an error? Please explain.

User 9d75a253ab

11-05-2009 20:19:29

i cant use it cos it said i have no lisence:/

ChemAxon d76e6e95eb

11-05-2009 20:58:48

So you need one. Please contact our sales department or if you are academic, please fill your forum registration data in details and require an academic license.
http://www.chemaxon.com/contactus.html


 

User 9d75a253ab

12-05-2009 07:26:42

Thank you.