November 21, 2024, 06:39:44 AM
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Topic: Unexplained results in the mass spectrometry of a sulfonyl ketone  (Read 6559 times)

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Offline MOTOBALL

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Re: Unexplained results in the mass spectrometry of a sulfonyl ketone
« Reply #15 on: October 13, 2024, 05:52:35 PM »
Dr. Hall,

If you use an isotopic mass & pattern calculator ( e.g. envipat.eawag.ch) for your signals at m/z 199 (C9H10O3S1 + H+; absent) and 317 (C13H20O5N2S1 + H+; present)
you will get the plots that I have attached.
The points to not e from this are,

(a) Rel. Int % of m/z 200 is ~1.1 x C9 = 9.9
(b) Rel Int  % of m/z 201 is ~4.4 x S1 = 4.4

So you can get a good estimate of Cn in a molecule, and the [MH+ +2]+ relative intensity divided by 4.4 gives you the Sn count.  The M+2 peak for 34S is a real standout!!

Well apparently, I cannot attach a spectrum, but if  you use that calculator you will see the isotopic patterns very nicely.

You need a plot like these from your MS lab for all of your mystery signals, m/z 168, 210, 218, 279, 317.

Regards,

Motoball

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