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another MS interpretation

Posted: Fri Jun 27, 2025 11:34 am
by Peter Apps
Hi all, while I wait for results on the molecular ion of the previous mystery molecule, and a gap in the schedule to set up CI, here is another "no hits" mystery.

https://drive.google.com/file/d/12YNyeM ... drive_link

https://drive.google.com/file/d/1hqZEQN ... drive_link

EI, Bruker Scion single quad, with a retention index of about 1785 on a 60m wax column. The peak is pure.

There are tiny peaks at 73, 74 and 75 that are from the compound.

This is a substantial component of lion urine, extracted with methanol.

Thanks in advance.

Peter

Re: another MS interpretation

Posted: Mon Jun 30, 2025 1:34 pm
by JMB
Peter,

Very little to work with here, but some thoughts

m/z 43……..CH3CO+ (ester); C3H7+ (alkyl chain)

by extension m/z 57……CH3CH2CO+; C4H9+

According to McLafferty’s book, m/z 43, 57, 71 due to loss of —-NR—CO— from carbamates and cyclic amides.

If m/z 75 is molecular ion, then NO halogen / phenyl
but N = odd count (1, 3, 5 etc).

As with the previous mystery molecule, we badly need a Mol. Wt., so I look forward to any CI results.

Regards,

JMB

Re: another MS interpretation

Posted: Wed Jul 02, 2025 10:22 am
by Peter Apps
Thank you, JMB

I will get the CI set up as soon as I have a chance.

I will also run it on the PFPD.

Peter