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Table 1 FluxFix correction for acetyl-CoA and HMG-CoA from [13C]-glucose treated cells. Output was generated with both simulated and experimental unlabeled data

From: FluxFix: automatic isotopologue normalization for metabolic tracer analysis

Acetyl-CoA: M0 M1 M2 M3 M4 M5  
Input: Signal Intensity Values
unlabeled_1 8.45E + 07 1.48E + 07 7.38E + 05 2.35E + 04 0.00E + 00 0.00E + 00  
unlabeled_2 8.47E + 07 1.45E + 07 8.45E + 05 2.16E + 04 0.00E + 00 0.00E + 00
unlabeled_3 8.41E + 07 1.49E + 07 9.58E + 05 3.09E + 04 0.00E + 00 0.00E + 00
13C-Glc labeled_1 2.62E + 07 4.53E + 06 1.28E + 07 1.70E + 06 0.00E + 00 0.00E + 00
13C-Glc labeled_2 2.73E + 07 4.88E + 06 1.38E + 07 1.81E + 06 0.00E + 00 0.00E + 00
13C-Glc labeled_3 3.00E + 07 5.34E + 06 1.47E + 07 1.85E + 06 0.00E + 00 0.00E + 00
unlabeled_simulation 809264.4 113786.2 36571.6 333.7 42.3 2.7
Output: % molar enrichment (normalised to unlabeled data)
labeled_1 68.63 −0.11 32.86 −1.30 −0.10 0.02  
13C-Glc labeled_2 67.68 0.29 33.48 −1.38 −0.10 0.02
13C-Glc labeled_3 68.50 0.24 32.84 −1.53 −0.06 0.02
Output: % molar enrichment (normalised to simulated data)
13C-Glc labeled_1 68.73 2.22 30.16 0.09 −1.38 0.18  
13C-Glc labeled_2 67.78 2.59 30.84 0.01 −1.40 0.18
13C-Glc labeled_3 68.60 2.57 30.15 −0.15 −1.35 0.18
HMG-CoA: M0 M1 M2 M3 M4 M5 M6
Input: Signal Intensity Values
unlabeled_1 8.20E + 05 1.73E + 05 6.91E + 03 0.00E + 00 0.00E + 00 0.00E + 00 0.00E + 00
unlabeled_2 8.21E + 05 1.70E + 05 8.95E + 03 0.00E + 00 0.00E + 00 0.00E + 00 0.00E + 00
unlabeled_3 8.09E + 05 1.80E + 05 1.12E + 04 3.18E + 02 2.17E + 02 0.00E + 00 0.00E + 00
13C-Glc labeled_1 5.05E + 05 1.04E + 05 3.44E + 05 7.40E + 04 1.24E + 05 1.17E + 04 1.63E + 04
13C-Glc labeled_2 4.97E + 05 1.07E + 05 3.48E + 05 7.79E + 04 1.21E + 05 5.54E + 03 8.94E + 03
13C-Glc labeled_3 5.81E + 05 1.21E + 05 4.11E + 05 9.17E + 04 1.37E + 05 1.37E + 04 1.69E + 04
unlabeled_simulation 769011.9 141396.2 12234.4 661.6 25 0.7 0
Output: % molar enrichment (normalised to unlabeled data)
13C-Glc labeled_1 52.29 −0.39 35.12 0.16 12.41 −1.44 1.86
13C-Glc labeled_2 52.12 0.09 35.90 0.50 12.18 −2.03 1.23
13C-Glc labeled_3 51.70 −0.27 36.06 0.46 11.69 −1.29 1.65
Output: % molar enrichment (normalised to simulated data)
13C-Glc labeled_1 51.29 1.13 33.91 1.22 11.83 −1.04 1.66
13C-Glc labeled_2 51.12 1.61 34.69 1.57 11.60 −1.62 1.03
13C-Glc labeled_3 50.71 1.24 34.84 1.53 11.12 −0.90 1.46
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