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Chemistry Forums for Students => Organic Chemistry Forum => Topic started by: xshadow on September 08, 2021, 03:26:08 AM

Title: Mass spectrum
Post by: xshadow on September 08, 2021, 03:26:08 AM
Hi!!

I would know the right molecule assocoated to tjis mass mass spectrum

Is there a site that can give me the right molecule  ???
Thanks
Title: Re: Mass spectrum
Post by: Babcock_Hall on September 08, 2021, 12:56:50 PM
Here are some thoughts.  You can sometimes apply the rule of 12 and the nitrogen rule to good effect.  Try subtracting the mass of a fragment from M.  More specifically, your spectrum has an unusual feature.  I am only familiar with two functional groups that often display this feature (there might be others).  Identifying likely functional groups might cut the territory down.
Title: Re: Mass spectrum
Post by: xshadow on September 11, 2021, 03:13:54 AM
Here are some thoughts.  You can sometimes apply the rule of 12 and the nitrogen rule to good effect.  Try subtracting the mass of a fragment from M.  More specifically, your spectrum has an unusual feature.  I am only familiar with two functional groups that often display this feature (there might be others).  Identifying likely functional groups might cut the territory down.

Hi Babcock !!

Usually the -1 loss with an high peak is an aldehyde...

But I also see a -18 loss (water) that I think is typical of alcahol and carboxylic acid (perhaps COOH gives -17 not 18)....I also see a -28 loss so there sould be a C=O!
Also I see a 76 instad a 77...can it mean that the ring has two substituents?   maybe an aldehyde and an alcohol??

PS: I also see that when I loss the aldehydic group (29) I get 93, that should be phenyl + alcohol.

THANKS

PS: what do you mean with  nitrogen rule? That if M+* is even I don't have nitroger or at least 2N/4N ecc ??
Title: Re: Mass spectrum
Post by: Babcock_Hall on September 11, 2021, 10:17:24 AM
Other functional groups with a substantial M-1 are alkynes and some amines and alcohols.  I would subtract the mass of the heteroatom(s) and apply the rule of 12.

When there are an odd number of nitrogens, the value of M is a odd number.