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Topic: Mass spectrometry - peak at m/z =31, 45 and 45  (Read 10401 times)

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Offline THC

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Mass spectrometry - peak at m/z =31, 45 and 45
« on: November 25, 2008, 03:37:06 AM »
Hi

I need some help with the attached MS spectra.

I have to find out what the compound is. I'm told it is a good idea to look at the peak at m/z= 31, 45 and 46.

According to a table we've been giving, a nitro compound fits the m/z = 46 (another hint is: z = 1). Since the largest m/z = 46, the compound contains 1,3,5... N. But I can't figure out the other peaks.
m/z = 31 and 45indicates an alcohol or ether while 45 also indicates a carboxylic acid.

I don't think the peak at 46 is caused by isotopes since none of the elements fits the ~40% intensity relative to 45.

Any help appreciated.

Offline DrCMS

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Re: Mass spectrometry - peak at m/z =31, 45 and 45
« Reply #1 on: November 25, 2008, 04:44:15 AM »
46 to 45 loss of H
46 to 31 loss of CH3


Offline THC

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Re: Mass spectrometry - peak at m/z =31, 45 and 45
« Reply #2 on: November 25, 2008, 07:02:36 AM »
So it's CH3-NO3?

Offline DrCMS

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Re: Mass spectrometry - peak at m/z =31, 45 and 45
« Reply #3 on: November 25, 2008, 09:47:28 AM »
No

Offline THC

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Re: Mass spectrometry - peak at m/z =31, 45 and 45
« Reply #4 on: November 25, 2008, 11:46:04 AM »
Hmm, I don't get it. Isn't the highest m/z supposed to be the molar mass (when z = 1)? In this case, the largest m/z= 46. But... I know that the compound contains -NO2 and the molar mass of that is 46.

Offline DrCMS

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Re: Mass spectrometry - peak at m/z =31, 45 and 45
« Reply #5 on: November 26, 2008, 04:12:39 AM »
Hmm, I don't get it. Isn't the highest m/z supposed to be the molar mass (when z = 1)?

Yes

In this case, the largest m/z= 46. But... I know that the compound contains -NO2 and the molar mass of that is 46.

How do you know it contains NO2?

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