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Please help me Identify this Compound!! :)

Posted: Thu Apr 05, 2012 3:16 pm
by smith1209
I have an unknown synthetic cannabinoid that I need help identifying.

My base peak is 373, while the other major peaks are 298, 232/356, 144, 169, 115, 284. (from greatest to least)

If you happen to have a MS to go along with your guess, could you PLEASE send it to me at annie.smith0903@gmail.com. Thank-you!!

Re: Please help me Identify this Compound!! :)

Posted: Fri Apr 06, 2012 12:41 pm
by Amirav
Annie
We have a software named Tal-Aviv Molecule Identifier that could invert the molecular ions of EI mass spectra via isotope abundance analysis into elemental formula. Read more on this software at
http://www.avivanalytical.com/Isotope-Abundance.aspx
Thus, if you analysed this synthetic cannabinoid compound with an Agilent 5972/3/5 or 7000 and trust that the m/z=373 is the molecular ion you could send me the file and I will write back ASAP the list of possible elemental formula
Amirav
Email: amirav@tau.ac.il

Re: Please help me Identify this Compound!! :)

Posted: Sat Apr 07, 2012 6:29 pm
by JMB
Annie,

This mass spectrum is not readily interpretable as is.

We need to know,

1. the ionization technique EI/CI/ESI/FAB/MALDI etc, and mode (+ve or -ve ionization),

2. derivatized or not,

3. reaction from which derived (starting compound, synthetic route/reagents etc)

Even then it may not be interpretable !!!

JMB

Re: Please help me Identify this Compound!! :)

Posted: Thu Apr 19, 2012 4:06 am
by dischiessel
JMB is right on. To add to his remarks...

Is this GC-MS or LC-MS??
Do you have CI at your disposal?
Software might give a better idea of the molecular formula but even deconvolution just gives a list of possibilities.
GC-EI is definitely not the solution for this type of work as you will never be sure 100%.

Re: Please help me Identify this Compound!! :)

Posted: Sat Jul 28, 2012 2:05 am
by swheasler
It's probably "MAM2201". I'll send her stuff directly about it, including a forum more suited to what she does (assuming GC-MS (EI) for drugs is her thing).

SWW