Fig. 6

The metaboscope view allows a user to display scores and loadings. Reference compounds can be searched and their spectra superimposed to help with identifying putative metabolites. Here, scores were obtained using OPLS. The loading trace is back calculated, as the covariance of the score with the data and are coloured-coded according to the correlation. Here, the reference spectrum of PAG (phenylacetylglycine) is displayed