Table 1.
Pearson’s correlation coefficient (r) and associated p-value for each comparison between an experimental and simulated stable isotope pattern; specifically to determine which simulated SIP (across five different colour coded labelling efficiencies) is most similar to each experimental SIP in Figure 4, this analysis is used to estimate the overall 13C-isotope labelling efficiency in the experiment.
| m/z (all-12C containing peak as [M − H]− ion) | Empirical formula | Labelling Efficiency (%) | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| r-value | p-value | ||||||||||
| 50% | 55% | 60% | 65% | 70% | 50% | 55% | 60% | 65% | 70% | ||
| 125.06084 | 12C7H10O2 | 0.86 | 0.99 | 0.93 | 0.68 | 0.35 | 0.0289 | 0.0001 | 0.0080 | 0.1347 | 0.4913 |
| 131.07140 | 12C6H12O3 | 0.92 | 0.99 | 0.82 | 0.48 | 0.12 | 0.0244 | 0.0010 | 0.0918 | 0.4181 | 0.8532 |
| 227.20143 | 12C14H28O2 | 0.63 | 0.90 | 1.00 | 0.88 | 0.58 | 0.0369 | 0.0002 | 0.0000 | 0.0004 | 0.0615 |