By Terrence A. Lee
Mass spectrometry is among the few options wherein an natural compound could be uniquely pointed out. This booklet examines the translation of mass spectra of natural compounds at a degree acceptable to newcomers within the box. it's a sincerely written and hugely functional creation to mass spectral information, targeting a compound-related method of interpretation of mass spectra.
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Extra info for A beginner's guide to mass spectral interpretation
Based upon the saturation index, determine whether or not the molecular formula represents a possible molecular ion. Detailed solutions to these problems are available in the Appendix. html 29/09/2003 Document Página 1 de 2 Page 19 Problem 6. 2% Table 2 Mass and formulae of common neutral particles. Note that neutrals can be lost as molecules or as radicals. In some cases, the formulae of neutral particles will be the same as for fragment ions (Table 3). This list is not meant to be exhaustive Mass lost 1 Neutral formula H Compound types indicated Aldehydes, acetals, compounds with aryl-CH3 groups, compounds with N-CH3, compounds with CH2CN, alkynes.
This process is repeated for successive ion lines moving down in mass from the molecular ion line. As an example, consider a hypothetical spectrum composed of four lines. We will label these lines as M (the molecular ion line), A (the lowest mass fragment line), B (a fragment line of greater mass than line A) and C (a fragment line of greater mass than B). We would then perform the following operations: M - C assuming that C is formed directly from the parent. M - B assuming that B is formed directly from the parent.
56 CH2=CHCH2CH3, Pentyl ketones, ArOBu ethers. CH3CH=CHCH3, 2CO 57 C4H9, C2H5CO Alkanes, ethers, ketones. 58 C2H6CO Ketones 59 C3H70, CH3CO2 Ethers, esters. 60 COS, CH3COOH, C3H7OH Ethers, esters, thiocarbamates. 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).