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By Terrence A. Lee

Mass spectrometry is without doubt one of the few strategies through which an natural compound may 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 sincerely written and hugely useful advent to mass spectral information, targeting a compound-related method of interpretation of mass spectra.

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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.

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.

31 CH3O Methoxy derivatives, methyl esters. 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.

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