A Pareto approach to resolve the conflict between information gain and experimental costs: Multiple-criteria design of carbon labeling experiments
Fig 2
Characteristic measurement information of analytical platforms for a C3 metabolite (C1-C2-C3).
The techniques yield specific measurement groups composed of sub-sets or linear combinations of isotopomers as indicated by gray boxes. As an example, 1H-NMR and 13C-NMR measurements for C2, C-IRMS for the total fraction of unlabeled and one-labeled carbon content, MS for the intact precursor ion and MS/MS measurement for the combination of complete precursor and C2-C3 fragment ion, delivering in effect positional information, are shown. For 13C MFA only the carbon backbone of the metabolites and metabolite fractions are relevant. Further details are found in S1 Text.