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Acquisition of 1 H-NMR spectra and metabolic profiling The lyophilized metabolic extracts were suspended in 0.6 ml of deuterated water (Cambridge Isotope Laboratories Inc., Tewksbury, MA, USA) containing phosphate buffer (100 mM) and TSP (3-3-(trimethylsilyl)-2,2,3,3-tetradeuteropropionic acid or TMSP- d 4 , Cambridge Isotope Laboratories) (0.5 mM) and inserted into a 5 mm NMR tube for immediate acquisition

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Polypropylene glycol solutions of 10 and 100 mol/L were used in QQQ and LIT modes, respectively, for instrument calibration and mass calibration

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