Advanced Organic Chemistry: Mass spectrum of benzoic acid
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Interpreting the mass spectrum of benzoic acid
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 benzoic acid
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Benzoic acid (benenecarboxylic acid), C7H6O2, C6H5COOH , , ,
Interpreting the fragmentation pattern of the mass spectrum of benzoic acid
[M]+ is the molecular ion peak with an m/z of 122 corresponding to [C6H6O]+, the original benzoic acid molecule minus an electron, [C6H5COOH]+.
The small M+1 peak at m/z 123, corresponds to an ionised benzoic acid molecule with one 13C atom in it i.e. an ionised benzoic acid molecule of formula [13C12C6H6O2]+
The most abundant ion of the molecule under mass spectrometry investigation (benzoic acid) 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 benzoic acid.
Unless otherwise indicated, assume the carbon atoms in benzoic acid are the 12C isotope.
Some of the possible positive ions, [molecular fragment]+, formed in the mass spectrometry of benzoic acid.
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