S1_Fig.pdf 10.1371/journal.pone.0136376.s001 S2_Fig.pdf
Each m/z value with an assigned elemental formula is represented by a dot on the figure. The size of each dot corresponds to relative peak height. Components in parent oil are plotted in grey as reference. Color bar indicates ratio of total heteroatoms to carbon atoms (NSO:C).
Each m/z value with an assigned elemental formula is represented by a dot on the figure. The size of each dot corresponds to relative peak height. Components in parent oil are plotted in grey as reference. Color bar indicates ratio of total heteroatoms to carbon atoms (NSO:C).
Black filled circles represent structures shown in S4 Fig Red line indicates the linear fit of the data; solid grey lines are the upper and lower 95% confidence limits; and dotted grey lines are the 95% prediction interval, which estimates the range of future observations.
Each m/z value with an assigned elemental formula is represented by a dot on the figure. The size of each dot corresponds to relative peak height. Components in parent oil are plotted in grey as reference. Color bar indicates ratio of total heteroatoms to carbon atoms (NSO:C).
Hydrophobicity classes are define as follows: hydrophilic compounds (NSO:C ≥ 0.49 and molecular mass < 850 Da), moderately hydrophobic compounds (0.1 < NSO:C < 0.49 and molecular mass < 850 Da), and hydrophobic compounds (NSO:C ≤ 0.1 or molecular mass > 850 Da).
The coefficient values are obtained from the EPA EPI Suite.