acetyl-CoA pool and n is the number of acetyl-CoA units in the measured fatty acid. For instance n = 8 for palmitic acid and n = 9 for stearic acid. x*n = x1 * x2 * x3 * * xn (3) …. The MID for endogenous fatty acid is generated by the convolution power with the natC AcCoA MID (1). Equation (4) is then used for a given value of g(t) to calculate the MID of the sampled fatty acid carbon backbone. [Sampled Fatty acid] = g(t) [Synthesised Fatty acid] + (1–g(t)) [Endogenous Fatty acid] (4) A third parameter (Elongation) can also be included to represent a fatty acid synthesised by the elongation of a smaller endogenous fatty acid through the addition of single acetyl-CoA from the synthesis pool. For example, the synthesis of stearic acid by addition of acetyl-CoA to palmitic acid through the action of elongases. The MID for this fatty acid is generated similar to the endogenous fatty acid, but with one convolution with [acetyl-CoA pool]. The sampled fatty acid MID is then calculated using equation (5). [Sampled Fatty acid] = g(t) [Synthesised Fatty acid] + (Elongation) [Endogenous Elongated Fatty acid] + (1–g(t)-Elongation) [Endogenous Fatty acid] (5) For raw MS data the remaining atoms apart from the carbon chain, must by iteratively convolved with the MID generated by either (4) or (5). This includes any derivatisation groups present in the measured fragment. However, for MS data that has already been corrected for naturally occurring isotopes, this final convolution step is not necessary.
acetyl-CoA pool and n is the number of acetyl-CoA units in the measured fatty acid. For instance n = 8 for palmitic acid and n = 9 for stearic acid. x*n = x1 * x2 * x3 * …. * xn (3) The MID for endogenous fatty acid is generated by the convolution power with the natC AcCoA MID (1). Equation (4) is then used for a given value of g(t) to calculate the MID of the sampled fatty acid carbon backbone. [Sampled Fatty acid] = g(t) [Synthesised Fatty acid] + (1–g(t)) [Endogenous Fatty acid] (4) A third parameter (Elongation) can also be included to represent a fatty acid synthesised by the elongation of a smaller endogenous fatty acid through the addition of single acetyl-CoA from the synthesis pool. For example, the synthesis of stearic acid by addition of acetyl-CoA to palmitic acid through the action of elongases. The MID for this fatty acid is generated similar to the endogenous fatty acid, but with one convolution with [acetyl-CoA pool]. The sampled fatty acid MID is then calculated using equation (5). [Sampled Fatty acid] = g(t) [Synthesised Fatty acid] + (Elongation) [Endogenous Elongated Fatty acid] + (1–g(t)-Elongation) [Endogenous Fatty acid] (5) For raw MS data the remaining atoms apart from the carbon chain, must by iteratively convolved with the MID generated by either (4) or (5). This includes any derivatisation groups present in the measured fragment. However, for MS data that has already been corrected for naturally occurring isotopes, this final convolution step is not necessary.