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By Terrence A. Lee

Mass spectrometry is among the few strategies wherein an natural compound might be uniquely pointed out. This booklet examines the translation of mass spectra of natural compounds at a degree acceptable to rookies within the box. it's a sincerely written and hugely sensible advent to mass spectral facts, concentrating on a compound-related method of interpretation of mass spectra.

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Extra info for A beginner's guide to mass spectral interpretation

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32 CH3OH, S Ethers, carboxylic acids, sulfur-containing compounds. 33 CH3 + H2O, CH2F Alcohols, fluoroalkanes. 34 H2S Thiols 35 (and 37) Cl Chloroalkanes 36 HCl Chloroalkanes 38 H2O2 Polycarboxylic acids 40 C3H4, CH2CN Aliphatic nitriles, aromatics. 41 C 3 H5 Propyl esters 42 C3H6, CH2CO Acetates, N-acetyl compounds, butyl ketones. 43 HNCO, CH3CO, C3H7 Propyl derivatives, aliphatic nitriles, amides, methyl ketones, alkanes. 44 C3H8, CONH2, CH2CO, CO2, CS Aldehydes, esters, acids, amides, thiophenols, arylS-aryl.

Clearly, this line indicates the loss of hydrogen from m/z 106. Table 2 indicates that this is a common loss for aldehydes, acetals, aryl-CH3 groups, N-CH3 groups, -CH2CN and alkynes. For the purposes of this example we will ignore the possibility that nitrogen is present. If m/z 77 is formed from the molecular ion, then a neutral of mass 29 has been lost, indicating an aromatic aldehyde, phenol, ethyl derivative or alkane. 1 formed from 105? The loss of 28 indicates C2H4 and CO as common neutral losses.

2 the second and third carbons resulting in two possible C4H9+ fragments, one of which is also a tertiary carbocation. 3) shows a significantly reduced m/z 71 compared with Example 7 (tetradecane) owing to the greater difficulty in forming C5H11+. The abundance of m/z 85 is enhanced since it is possible to fragment the molecule between carbons 4 and 5, producing a secondary carbocation. It is possible to form two fragments corresponding to C7H15+ (m/z 99) by breaking the bond between the number 3 and 4 carbons, and one of these fragments would be a very stable tertiary carbocation.

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