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5 for exact abundances of many of these combinations. 7 Indicators of the Presence of Heteroatoms In low-resolution mass spectra, one often observes characteristic isotope patterns, specific masses of fragment ions, and characteristic mass differences (Δm) between the molecular ion (M+·) and fragment ions (frag+) or between fragment ions. High resolution mass spectra can be used to confirm the elemental composition provided that the resolution is sufficient to discriminate alternative compositions.
A 2003, 729, 337. K. R. de Laeter, P. De Bièvre, H. S. R. D. Taylor, Isotopic compositions of the elements, 2001, J. Phys. Chem. Ref. Data 2005, 34, 57.  H. Kubinyi, Calculation of isotope distributions in mass spectrometry. A trivial solution for a non-trivial problem, Anal. Chim. Acta 1991, 247, 107. 8 ppm CH st CH3 δ as CH2 δ CH3 δ sy CH2 γ Fragments UV Lower shift values in three-membered rings 3000–2840 cm-1 Higher frequency in three-membered rings ≈1460 cm-1 ≈1460 cm-1 ≈1380 cm-1 Doublet for geminal methyl groups 770–720 cm-1 In C–(CH2)n–C with n ≥ 4 at ca.
In this latter case, the abundance of [M + H]+ changes in proportion to the square of the sample pressure in the ion source. In the absence of a signal for M+·, the relative molecular weight must have a value that shows a logical and reasonable mass difference, Δm, to all the observed fragment ions. 9 Homologous Mass Series as Indications of Structural Type Certain sequences of intensity maxima in the lower mass range and the masses of unique signals are often characteristic of a particular compound type.