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. 2018 Sep 7;8(3):50. doi: 10.3390/metabo8030050

Figure 2.

Figure 2

Metabolites associated with first two discriminant components. (a) The first component provides 15 metabolites, and the bottom 4 listed providing the greatest contributions (all higher in TBI cases) to classification accuracy. (b) The second principal component provides 5 metabolites (all lower in TBI controls). (c) Receiver operating characteristic area under the curve (ROC AUC) provides result of 1.00 using 20 metabolites from the two components in the classifier model. Comp = sPLS-DA model component. PE = phosphatidylethanolamine. AC = acylcarnitine. PG = Phosphatidylglycerol. PA = Phosphatidic acid. GlcCer = glucosylceramide. PC = phosphatidylcholine. SM = sphingomyelin. S1P = sphingosine-1-phosphate. MG = Monoacylglycerol. PS = phosphatidylserine. LysoPC = lysophosphatidylserine. Final metabolite identifications will require additional tandem mass spectrometry (MS/MS) analyses. Metabolites confirmed via MS/MS are considered fully validated, to a high degree of confidence.