By Terrence A. Lee
Mass spectrometry is among the few concepts during which an natural compound could be uniquely pointed out. This publication 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 functional advent to mass spectral facts, concentrating on a compound-related method of interpretation of mass spectra.
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Extra info for A beginner's guide to mass spectral interpretation
How then can we finish the identification procedure? There are several possibilities. We could compare our unknown spectrum with a spectrum from some standard database such as the NIST Mass Spectral Database. We could compare our unknown spectrum with authentic spectra (spectra of known compounds collected under the same conditions on the same spectrometer). We could take the unknown compound, prepare a chemical derivative of the material and analyze the spectra of the derivatized compound. It is critically important for the student to recognize the limits of mass spectrometry as well as the strengths.
In this case, some of the lines in a given spectrum can be assigned to certain ions. Table 3 (also at the end of this chapter) is such a tabulation and can be used with the same precautions. Let us use these two tables to interpret the following spectrum for Unknown No. 1). Unknown No. 3 The highest mass in the spectrum is m/z 107 and is probably an isotope satellite. This would indicate that m/z 106 is the molecular ion. The base peak (the line with the greatest intensity) is m/z 105. Clearly, this line indicates the loss of hydrogen from m/z 106.
18 H2 O Alcohols, aldehydes, ketones, ethers, carboxylic acids. 19 F Fluoroalkanes. html 29/09/2003 Document Página 2 de 2 20 HF Fluoroalkanes. 26 C 2 H2 Aromatic hydrocarbons. 27 C2H3, HCN Aromatic amines, aromatic nitriles, nitrogen heterocycles. 28 C2H4, N2, CO Phenols, aldehydes, diaryl ethers, quinones, aliphatic nitriles, ethyl esters. 29 CH3N, C2H5 CHO Aromatic aldehydes, phenols, aliphatic nitriles, ethyl derivatives, alkanes. html 29/09/2003 Document Página 1 de 2 Page 20 Table 2 (continued) Mass lost Neutral formula Compound types indicated 30 C2H6, NO, CH2O NH2CH2 Aromatic nitro compounds, aromatic methyl ethers.