Re: mystery mass spectrum interpretation
Posted: Fri Feb 14, 2025 11:21 am
by Peter Apps
Yes, that shortens the chemspider list substantially, but it has no spectra for any of the possibilities. If I get time I will search them one by one on the internet.
Re: mystery mass spectrum interpretation
Posted: Sat Feb 15, 2025 2:47 pm
by JMB
Peter,
One additional piece of info that would be very useful for structure ID is the number of exchangeable -H atoms; you or Andre could determine this by another GC/MS run with CD4 or ND3 as the CI gas.
In the meantime,
no loss of 46 amu observed so absence of -NO2 group,
m/z 133 to 102 suggests loss of -OCH3, confirmed by acc mass measurement.
If methyl ester, R-(C=O)-OMe, would expect m/z 133 --> 102---> 74 by loss of CO, but this is not detected. Suggests just -OMe group.
Regards,
JMB
Re: mystery mass spectrum interpretation
Posted: Mon Feb 17, 2025 11:35 am
by Peter Apps
Thank you JMB, it is at times like this that I wish that I had a proper chemist on my team !!