By Terrence A. Lee
Mass spectrometry is without doubt one of the few options in which an natural compound will be uniquely pointed out. This booklet examines the translation of mass spectra of natural compounds at a degree applicable to newcomers within the box. it's a truly written and hugely sensible advent to mass spectral information, targeting a compound-related method of interpretation of mass spectra.
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Additional info for A beginner's guide to mass spectral interpretation
61 C 2 H5 S Thiols, thioethers. html 29/09/2003 Document Página 2 de 2 64 SO2, (CH3OH)2 Dialcohols, RSO2R, Aryl-SO2OR 79 (and 81) Br Bromo compounds 127 I Iodo compounds Table 3 Mass and formulae for common ion fragments. In some cases, fragment ion formulae will be the same as for neutral particles (Table 2). html 29/09/2003 Document Página 1 de 1 Page 22 4— Hydrocarbons We will begin this chapter by looking at three general classes of alkanes; linear, branched and cyclic. The spectra of ordinary hydrocarbons provide a convenient starting point for learning general interpretation procedures.
In propene (Example 15) the peak at m/z 27 is consistent with simple cleavage resulting in the loss of the methyl radical. This is also seen in 1-butene (Example 16a). The base peak at m/z 41 can be formed either through a simple cleavage mechanism between the number 3 and 4 carbons or through the allylic cleavage mechanism shown above. Preference would be given to the simple cleavage mechanism, since the spectrum of 2-butene (Example 16b) is virtually identical with that of 1-butene. In 2-butene, the double bond would have to migrate before the allylic cleavage mechanism would be possible.
This mechanism accounts for the typical pattern shown by most alkanes: clusters of fragments separated by 14 amu. Please pay careful attention to the arrows shown in this and all other examples. A double headed arrow is used to show the movement of a pair of electrons. Single headed arrows are used to show the movement of a single electron. In general, linear alkanes will show significant intensity for the molecular ion peak. As the amount of branching increases, the intensity of the molecular ion peak will decrease, and when the molecule has significant branching the molecular ion may be undetectable.