mystery mass spectrum interpretation

[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.

[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

[Peter Apps]

Thank you JMB, it is at times like this that I wish that I had a proper chemist on my team !!