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Illustration of the predictive power of MassGenie when presented with an experimental peak list (363.21631, 121.06477, 105.06985, 97.0648, 91.05423, 327.19522, 119.08553, 309.18469, 109.06478, 145.10121, 93.06989, 131.08549, 123.08039, 79.0542, 143.08563) of the true molecule cortisol, along with its canonicalized best proposals. In this case 2/4 are correct (and to a chemist’s eye far more biologically plausible).
