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Figure S1. Mass spectra of (A) tyrosine-O-sulfate (m/z 262.0359), (B) butyrylcarnitine (m/z 232.1547) and (C) methylglutarylcarnitine (m/z 290.1600).

Table S1. Summary of parameters for assessing OPLS-DA modeling quality after removing five volunteers (ten samples for each model) in each OPLS-DA model. This procedure has been repeated four times using different samples each time.

Table S2. The misclassification table for the OPLS-DA models. Each subtable corresponds to each of the four rounds. b: basal, c:cocoa and m:milk.

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