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Resolution: standard / high 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 |