Figure 5.

The isotopic abundances of the M+1 and M+2 ions can be used to filter molecular formula candidates. This example shows isotopic abundance pattern for silylated sorbitol. The red circle shows a 5% region with the correct target. All other formulae can be excluded if the mass spectrometer has a 5% error (RMS) on isotopic abundances.

Kind and Fiehn BMC Bioinformatics 2006 7:234   doi:10.1186/1471-2105-7-234
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