A beginner's guide to mass spectral interpretation by Terrence A. Lee

By Terrence A. Lee

Mass spectrometry is among the few recommendations wherein an natural compound should be uniquely pointed out. This booklet examines the translation of mass spectra of natural compounds at a degree applicable to rookies within the box. it's a truly written and hugely functional creation to mass spectral information, targeting a compound-related method of interpretation of mass spectra.

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

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Notice that in calculating the mass of C5Br we used 81 for the bromine, since this would be the 81Br isotope. It is important for the student to keep in mind the distinct isotopic forms of the elements when determining molecular formulae. From the residual mass, we could either have one oxygen and one hydrogen for a formula of C5HOBr, or we could have 17 hydrogens for a formula of C5H17Br. The latter would be impossible since it violates the 2n + 2 rule which tells us that for five carbons we can have 12 hydrogens.

Html 29/09/2003 Document Página 2 de 2 The base peak at m/z 77 indicates the loss of 79 from m/z 156 (or the loss of 81 from m/z 158). From Table 2, this would indicate the loss of Br, which is definitely a logical loss since we know that bromine is present in the compound. Consulting Table 3 for likely formulae for m/z 77, we see that C6H5 is likely and we can identify Unknown No. 4 as bromobenzene. html 29/09/2003 Document Página 1 de 2 Page 18 Practice Problems Each of the following problems involves the determination of reasonable molecular formulae and saturation indices.

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.

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