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Advanced Organic Chemistry: Mass spectrum of Pentane

Mass spectrum of Pentane

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

image diagram mass spectrum of pentane fragmentation pattern of ions for analysis and identification of pentane doc brown's advanced organic chemistry revision notes 

Pentane  C5H12, alkanes structure and naming (c) doc b , alkanes structure and naming (c) doc b , alkanes structure and naming (c) doc b

Interpreting the mass spectrum of pentane

[M]+ is the molecular ion peak (M), with an m/z of 72 corresponding to [C5H12]+, the original molecule minus an electron, [CH3CH2CH2CH2CH3]+.

The small M+1 peak at m/z 73, corresponds to an ionised pentane molecule with one 13C atom in it i.e. an ionised molecule of formula 13C12C4H12

Identifying the species giving the most prominent ? peaks (apart from M) in the fragmentation pattern of ?
m/z value of [fragment]+ 57 43 42 41 39 29 27
molecular fragment CH3CH2CH2CH2 CH3CH2CH2 C3H6 C3H5 C3H3 CH3CH2 C2H3

Explaining the principal fragments e.g.

from splitting the linear carbon chain of pentane

[CH3CH2CH2CH2CH3]+  ===>  [CH3CH2CH2CH2]+  +  CH3

[CH3CH2CH2CH2CH3]+  ===>  [CH3CH2CH2]+  +  CH3CH2

[CH3CH2CH2CH2CH3]+  ===>  [CH3CH2]+  +  CH3CH2CH2

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