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. 2017 Feb 9;7(1):7. doi: 10.3390/metabo7010007

Table 4.

QSRR models, based on Equation (2), describing the retention of tryptophan and its major metabolites for each chromatographic column.

Three-Parameter QSRR Model
EVO Gemini
MDs G1 G2 G3 G4 G1 G2 G3 G4
pKa1 −0.82 ± 0.30 −0.60 ± 0.32 −0.61 ± 0.24 −0.41 ± 0.50 −1.08 ± 0.30 −0.74 ± 0.37 −0.71 ± 0.15 −0.56 ± 0.65
pKa2 1.17 ± 0.13 0.86 ± 0.14 1.01 ± 0.11 0.73 ± 0.22 1.52 ± 0.13 1.09 ± 0.18 1.27 ± 0.07 0.93 ± 0.29
logP 2.30 ± 0.57 1.96 ± 0.62 1.63 ± 0.47 2.36 ± 0.96 2.91 ± 0.58 2.04 ± 0.76 2.24 ± 0.29 2.22 ± 1.05
1.2/2.8/1.9 1 1.3/3.1/2.1 1 1.0/2.4/1.6 1 1.8/5.8/3.2 1 1.1/2.9/1.9 1 1.6/3.6/2.5 1 0.6/1.4/1.0 1 2.5/6.9/4.2 1

1 Average absolute difference of experimental and calculated tR/Maximum absolute difference of experimental and calculated tR/Standard error of the estimate SEE.