Advanced Organic Chemistry: Mass spectrum of 3-hydroxybutanone
Interpreting the mass spectrum of 3-hydroxybutanone (acetoin)
Doc Brown's Chemistry Advanced Level Pre-University Chemistry Revision Study Notes for UK IB KS5 A/AS GCE advanced A level organic chemistry students US K12 grade 11 grade 12 organic chemistry courses involving molecular spectroscopy analysing mass spectra of 3-hydroxybutanone
C4H8O2, 3-hydroxybutanone, 3-hydroxybutan-2-one, 'acetoin', CH3COCH(OH)CH3
Interpreting the fragmentation pattern of the mass spectrum of 3-hydroxybutanone
[M]+ is the molecular ion peak (M) with an m/z of 88 corresponding to [C4H8O2]+, the original 3-hydroxybutanone molecule minus an electron, [CH3COCH(OH)CH3]+.
The small M+1 peak at m/z 89, corresponds to an ionised 3-hydroxybutanone molecule with one 13C atom in it i.e. an ionised 3-hydroxybutanone molecule of formula [13C12C3H8O2]+
The most abundant ion of the molecule under mass spectrometry investigation (3-hydroxybutanone) is usually given an arbitrary abundance value of 100, called the base ion peak, and all other abundances ('intensities') are measured against it.
Identifying the species giving the most prominent peaks (apart from M) in the fragmentation pattern of 3-hydroxybutanone.
Unless otherwise indicated, assume the carbon atoms in 3-hydroxybutanone are the 12C isotope.
Some of the possible positive ions, [molecular fragment]+, formed in the mass spectrometry of 3-hydroxybutanone.
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