Table 1

Sequential correction of 13C natural abundance effects in a four-carbon example

IM+i = bValue = (cIM+i;NA - ΣIM+x *BC(x, i))/(1 - BCsum(i))


IM+0 = 1.00 = (0.956)/(1.00 - 4.36E-2)

IM+1 = 1.00 = (1.01 - 1.00 * 4.29E-2)/(1.00 - 3.29E-2)

IM+2 = 0.00 = (3.33E-2 - 1.00 * 7.22E-4 - 1.00 * 3.25E-2)/(1.00 - 2.21E-2)

IM+3 = 0.00 = (3.70E-4 - 1.00 * 5.40E-6 - 1.00 * 3.65E-4 - 0.00 * 2.19E-2)

/(1.00 - 1.11E-2)

IM+4 = 0.00 = (1.38E-6 - 1.00 * 1.51E-8 - 1.00 * 1.36E-6 - 0.00 * 1.23E-4

- 0.00 * 1.11E-2)/(1.00 - 0.00)


The example involves a four-carbon molecule with 13C-labeling involving a single carbon 50% of the time. Each row represents a single application (step) of Equation 5. All numbers rounded to three significant figures.

bCorrected isotopologue values. The use of these values in subsequent steps is highlighted in bold.

cContaminated isotopologue values.

Moseley BMC Bioinformatics 2010 11:139   doi:10.1186/1471-2105-11-139

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