Sunday, December 4, 2011

How do u predict the base peak m/z value for any given compound..?

eg...What is the likeliest m/z value of the base peak in the mass spectrum of 3-methylpentane?





Im having trouble predicting what the base peaks m/z value is...how would one predict the base peak value from just the compund iupac name|||I believe the base peak on the mass spec is the total molecular weight of the species. In your case 3 methylpentane. This consists of;



6 carbon atoms (6 x 12) = 72

14 Hydrogen atoms (14 x 1) = 14



72 + 14 = 86...... This will be the biggest peak on the mass spec. The reason being the chemical shift of everything else will be different ions that have been broken off the molecule and the peaks will be smaller due to smaller ions. You would have 1 peak for the 2 CH3 on each end and the methyl group attached to Carbon 3. The reason for 1 peak instead of 3 is because they have identical chemicals shift patterns. You would probably have 1 peak for the 2 CH2 on each side of carbon 3, Possiibly 1 peak for a CH, 1 for a C-CH3.



I dont know the last bit is of any help to you but basically the base peak is the molecule you started with, It's the biggest one and it has an mr of 86

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