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. 2014 Jan 31;9(1):e87846. doi: 10.1371/journal.pone.0087846

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© 2014 Tugizimana et al

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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(A) S-plot of an OPLS-DA model of control vs. 300 nM ergosterol-treated sample extracts (ME/UHPLC-MS data, ESI positive). The x-axis is the modelled covariation (variable magnitude) and the y-axis is the loading vector of the predictive component (modelled correlation/reliability). The mass ions in the upper right quadrant of S-plot are positively related to the ergosterol treatment (these include ions m/z 265.15, 177.051, 147.044 and 181.086), while those in the lower left quadrant are negatively related to the treatment. (B) A variable importance in projection (VIP) plot for an OPLS-DA model of 300 nM-treated samples. The VIP plot indicates for instance that the mass ions m/z 256.15, 177.051, 147.044, 295.164 and 181.086 (identified as deoxy-capsidol, methyllumbeliferone, coumarin, epi-hydroxyjasmonic acid and coniferyl alcohol, respectively, Table 1) were accountable for the significant separation in the model as their VIP scores were significantly greater than 1.0.