Correlations between ESI response and molecular characteristics.
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The investigated molecular descriptors were summarized as descriptors of basicity (pKa, pH of 4 mM solution, gas phase basicity, proton affinity, substituent’s electronegativity, and polarizability), polarity (logD, logP, polar/nonpolar/solvent accessible surface area), size (molecular and molar volume, molar mass) and volatility (boiling point, vapor pressure, vaporization enthalpy). A significant linear correlation of signal intensity or ratio with one of the molecular descriptors of each group (basicity, polarity, size and volatility) with a coefficient >0.4 is denoted with “+”, a coefficient >-0.4 with “-“.
创建时间：
2016-12-02
