By Terrence A. Lee
Mass spectrometry is without doubt one of the few strategies through which an natural compound could be uniquely pointed out. This ebook examines the translation of mass spectra of natural compounds at a degree applicable to beginners within the box. it's a essentially written and hugely sensible advent to mass spectral info, 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
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. 45 C 2 H5 O Carboxylic acids, ethyl esters, ethers. 46 [H2O + C2H4], NO2, CH2S Methyl aryl sulfides, cyclothioalkanes, nitroaromatics, nitroesters, ethers, carboxylic acids. 47 C2H4F, CH3S Fluoroalkanes, thiols. 49 CH2Cl Chloroalkanes. 51 C3HN Nitrogen heterocyclics. 54 C 4 H6 , C 3 H2 O Aromatics, cyclic-CO-CH=CH- 55 C 4 H7 Butyl esters.
How do we go about the task of identifying logical losses? One reasonable approach to solving a spectrum is to subtract the mass of the fragment peaks from the mass of the parent in order to determine which neutral (either a radical or a small, stable molecule) has been lost from the parent compound. Table 2 (at the end of this chapter) is a tabulation of the common mass losses for these neutrals and the types of compounds indicated by these losses. Although Table 2 is a useful tool, the student is reminded that this list is not exhaustive and that different types of compounds can lose the same kinds of neutrals.
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. 7 functional group of some sort. Students are asked to compare Examples 16a, 16b, and 19; 17a and b; and 18a and b. Cycloalkanes, will also give spectra very similar to those of alkenes (compare Example 20, cyclobutane with 16a and b and 19 or Example 12, cyclohexane with 17a and b).