metabolite_name 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 L-alanine 2.23E+06 8.80E+05 5.62E+05 1.90E+06 5.48E+05 1.62E+06 1.33E+06 1.25E+06 0.00E+00 1.25E+06 9.96E+05 6.44E+05 4.40E+05 5.98E+05 1.68E+06 6.12E+05 7.81E+05 3.17E+06 4.94E+05 5.14E+05 1.06E+06 6.50E+05 6.22E+05 4.57E+05 5.01E+05 9.02E+05 4.68E+05 1.54E+06 1.00E+06 1.02E+06 1.32E+06 L-arginine 2.68E+05 7.75E+05 3.12E+05 2.52E+06 3.77E+05 1.64E+06 1.53E+06 1.33E+06 3.74E+05 1.42E+06 1.43E+06 2.03E+05 8.47E+04 6.67E+04 9.39E+04 4.17E+05 6.31E+05 2.66E+06 1.53E+05 1.11E+05 1.14E+06 3.70E+05 7.98E+04 7.08E+04 1.05E+05 1.07E+06 9.51E+04 1.05E+06 1.09E+06 6.92E+05 4.36E+05 L-asparagine 1.38E+05 7.26E+04 3.15E+04 1.41E+05 1.48E+04 7.95E+04 1.08E+05 8.33E+04 1.75E+04 5.90E+04 6.67E+04 2.82E+04 2.18E+04 2.01E+04 2.54E+04 1.70E+04 5.63E+04 2.73E+05 2.07E+04 2.40E+04 7.11E+04 2.01E+04 2.34E+04 1.76E+04 1.56E+04 4.43E+04 1.84E+04 7.01E+04 7.45E+04 6.15E+04 3.71E+04 L-glutamate 7.48E+05 8.74E+05 2.48E+05 1.30E+06 3.08E+05 1.11E+06 1.27E+06 1.27E+06 2.61E+05 1.05E+06 8.77E+05 1.45E+05 1.46E+05 1.49E+05 2.23E+05 2.56E+05 3.44E+05 1.98E+06 1.20E+05 1.04E+04 4.06E+05 3.30E+05 1.43E+05 1.54E+05 2.38E+05 7.94E+05 1.73E+05 6.96E+05 4.02E+05 4.70E+05 1.90E+05 L-glutamine 1.15E+05 1.21E+05 1.16E+05 4.83E+05 6.42E+04 3.15E+05 1.93E+05 2.01E+05 8.63E+04 3.03E+05 2.53E+05 6.40E+04 9.02E+04 4.82E+04 1.11E+05 1.12E+05 8.13E+04 8.11E+05 3.48E+04 3.45E+03 1.22E+05 8.15E+04 5.30E+04 5.84E+04 9.09E+04 1.51E+05 5.90E+04 1.20E+05 1.67E+05 1.85E+05 1.05E+05 L-histidine 1.72E+06 2.35E+05 1.69E+05 5.42E+05 1.40E+05 3.76E+05 4.67E+05 3.73E+05 1.64E+05 3.41E+05 3.80E+05 1.73E+05 9.00E+04 8.55E+04 1.94E+05 1.71E+05 1.87E+05 8.74E+05 1.31E+05 6.39E+04 4.32E+05 2.60E+05 9.95E+04 1.83E+05 3.06E+05 2.80E+05 1.94E+05 2.68E+05 2.28E+05 1.62E+05 1.41E+05 L-leucine 8.51E+06 1.86E+06 1.44E+06 6.21E+06 1.71E+06 4.56E+06 4.60E+06 3.10E+06 2.26E+06 7.24E+06 3.00E+06 2.19E+06 1.99E+06 1.42E+06 1.53E+06 1.51E+06 1.89E+06 8.75E+06 3.37E+06 1.18E+06 4.81E+06 2.19E+06 8.24E+05 2.11E+06 7.96E+06 3.29E+06 1.14E+06 5.09E+06 3.21E+06 3.40E+06 2.68E+06 L-lysine 7.08E+05 2.23E+05 7.50E+04 5.70E+05 1.34E+05 4.67E+05 3.83E+05 3.05E+05 1.14E+05 5.33E+05 4.14E+05 5.50E+04 5.05E+04 4.50E+04 1.14E+05 1.64E+05 1.96E+05 1.72E+06 9.00E+04 3.32E+04 3.05E+05 1.40E+05 6.39E+04 4.03E+04 9.82E+04 3.44E+05 5.50E+04 3.62E+05 4.17E+05 2.90E+05 1.23E+05 L-methionine 3.32E+05 1.33E+05 3.13E+04 7.68E+05 9.52E+04 4.04E+05 3.76E+05 2.21E+05 2.31E+04 1.32E+05 9.27E+04 4.53E+03 2.49E+03 1.83E+03 2.53E+04 4.68E+04 1.67E+05 1.22E+06 5.52E+03 1.34E+03 1.35E+05 5.01E+04 2.44E+03 1.54E+03 2.22E+03 8.89E+04 0.00E+00 5.73E+05 3.78E+05 3.31E+05 4.72E+04 L-phenylalanine 4.40E+06 5.58E+05 4.88E+05 1.48E+06 3.44E+05 1.20E+06 1.34E+06 7.75E+05 1.03E+06 3.49E+06 1.39E+06 1.10E+06 1.65E+06 7.28E+05 5.42E+05 6.83E+05 4.02E+05 2.35E+06 1.82E+06 5.82E+05 1.87E+06 1.23E+06 6.59E+05 1.49E+06 7.27E+06 1.63E+06 5.84E+05 1.04E+06 9.15E+05 9.87E+05 1.28E+06 L-proline 5.36E+06 2.20E+06 8.81E+05 4.60E+06 1.18E+06 3.44E+06 3.56E+06 3.30E+06 8.53E+05 2.99E+06 2.62E+06 6.32E+05 5.98E+05 5.52E+05 1.02E+06 8.94E+05 2.02E+06 6.20E+06 5.88E+05 1.47E+05 2.75E+06 1.38E+06 6.27E+05 7.96E+05 1.43E+06 2.20E+06 9.05E+05 2.76E+06 1.67E+06 1.46E+06 7.37E+05 L-serine 1.10E+06 1.30E+05 9.28E+04 2.67E+05 1.16E+05 1.58E+05 2.72E+05 2.41E+05 5.09E+04 1.29E+05 1.56E+05 4.81E+04 2.95E+04 2.71E+04 6.97E+04 6.92E+04 1.14E+05 5.89E+05 4.80E+04 3.73E+04 2.90E+05 1.38E+05 4.93E+04 1.08E+05 1.45E+05 1.56E+05 1.29E+05 2.29E+05 1.41E+05 1.42E+05 6.08E+04 L-threonine 7.41E+05 1.71E+05 7.69E+04 4.20E+05 1.29E+05 2.86E+05 3.04E+05 3.00E+05 6.16E+04 2.81E+05 2.36E+05 6.60E+04 3.41E+04 7.01E+04 8.81E+04 8.79E+04 2.15E+05 9.02E+05 5.43E+04 5.62E+04 2.88E+05 1.28E+05 9.58E+04 6.26E+04 1.26E+05 2.19E+05 7.46E+04 3.67E+05 2.67E+05 2.02E+05 9.26E+04 L-tryptophan 1.85E+06 1.56E+05 1.87E+05 1.64E+05 9.63E+04 2.59E+05 3.23E+05 2.03E+05 4.06E+05 9.86E+05 3.86E+05 4.74E+05 5.15E+05 2.58E+05 1.61E+05 1.78E+05 6.71E+04 1.49E+05 6.44E+05 1.71E+05 5.17E+05 3.86E+05 1.23E+05 5.79E+05 1.79E+06 5.63E+05 1.99E+05 1.13E+05 1.00E+05 8.45E+04 2.21E+05 L-tyrosine 1.18E+06 1.81E+05 8.48E+04 5.44E+05 1.32E+05 3.05E+05 4.47E+05 3.24E+05 1.39E+05 4.68E+05 1.95E+05 1.89E+05 1.60E+05 1.18E+05 1.25E+05 1.16E+05 1.68E+05 8.49E+05 2.29E+05 9.08E+04 3.59E+05 1.37E+05 1.30E+05 1.99E+05 6.96E+05 2.93E+05 1.39E+05 4.40E+05 3.72E+05 3.44E+05 1.37E+05 L-valine 9.37E+06 8.08E+06 3.58E+06 9.42E+06 4.09E+06 8.07E+06 9.30E+06 9.48E+06 3.68E+06 6.76E+06 5.86E+06 2.99E+06 3.57E+06 2.92E+06 4.78E+06 5.64E+06 9.94E+06 1.95E+07 2.80E+06 1.88E+06 6.76E+06 6.37E+06 4.18E+06 5.31E+06 6.34E+06 7.27E+06 3.58E+06 9.27E+06 8.55E+06 1.10E+07 3.92E+06 AMP 3.36E+04 6.53E+04 1.60E+03 1.57E+05 7.31E+04 1.19E+05 1.11E+05 8.10E+04 1.90E+03 1.28E+05 5.29E+04 0.00E+00 0.00E+00 0.00E+00 3.67E+03 5.79E+03 4.66E+04 2.35E+05 2.03E+03 6.40E+03 4.28E+04 0.00E+00 1.84E+03 0.00E+00 0.00E+00 5.45E+04 1.83E+03 1.32E+05 5.73E+04 4.57E+04 9.55E+03 Cytidine 2.13E+05 3.16E+04 4.83E+04 2.80E+04 3.91E+04 2.72E+04 6.31E+04 4.47E+04 4.86E+04 4.89E+04 7.05E+04 2.81E+05 1.71E+05 5.68E+04 6.43E+04 5.96E+04 2.82E+04 7.53E+04 1.42E+05 1.14E+05 9.92E+04 8.15E+04 3.51E+04 1.61E+05 5.61E+05 1.14E+05 8.57E+04 4.27E+04 4.40E+04 3.46E+04 4.30E+04 Allantoate 5.16E+05 1.52E+04 2.16E+04 3.04E+04 1.57E+04 3.16E+04 4.10E+04 2.95E+04 1.74E+04 1.51E+04 1.54E+04 1.49E+04 1.34E+04 9.23E+03 2.07E+04 5.42E+03 1.22E+04 7.37E+04 3.16E+04 6.08E+03 7.74E+04 5.25E+04 1.46E+04 3.26E+04 5.37E+04 4.78E+04 3.03E+04 4.07E+04 1.23E+04 1.18E+04 1.68E+04 Nicotinamide 2.26E+06 2.40E+06 7.01E+05 2.23E+06 1.15E+06 3.00E+06 2.87E+06 3.19E+06 1.36E+06 7.12E+06 4.42E+06 6.42E+05 3.70E+05 1.35E+06 1.01E+06 1.22E+06 1.30E+06 3.35E+06 6.86E+05 3.83E+05 1.58E+06 1.63E+06 4.97E+05 3.61E+05 3.57E+05 2.81E+06 3.51E+05 2.06E+06 1.15E+06 1.13E+06 7.18E+05 Nicotinate ribonucleotide 8.63E+06 6.82E+06 9.49E+06 4.79E+06 9.35E+06 7.53E+06 9.46E+06 7.64E+06 8.13E+06 9.40E+06 8.74E+06 1.03E+07 1.04E+07 9.59E+06 9.58E+06 8.52E+06 6.95E+06 1.64E+06 1.20E+07 4.68E+04 8.71E+04 1.07E+07 7.56E+06 1.17E+07 1.09E+07 8.81E+06 9.17E+06 2.98E+06 5.74E+06 5.02E+06 7.69E+06 Glutathione 1.67E+05 5.93E+04 2.41E+04 2.50E+04 3.69E+04 2.96E+04 4.84E+04 6.60E+04 4.41E+04 4.50E+05 3.94E+05 0.00E+00 0.00E+00 0.00E+00 8.13E+03 6.58E+04 1.38E+05 7.17E+05 1.58E+04 1.21E+04 2.49E+05 9.44E+04 0.00E+00 0.00E+00 0.00E+00 9.10E+03 0.00E+00 1.62E+05 3.60E+04 5.17E+04 1.35E+04 Spermidine 1.64E+06 1.08E+06 1.72E+06 6.85E+05 3.56E+06 2.07E+06 6.87E+05 1.13E+06 2.53E+06 3.92E+06 1.76E+06 1.77E+06 1.99E+06 2.06E+06 2.80E+06 3.34E+06 1.26E+06 6.81E+05 1.80E+06 1.90E+06 1.96E+06 2.13E+06 2.00E+06 2.01E+06 1.57E+06 2.21E+06 2.43E+06 3.98E+05 6.32E+05 5.41E+05 1.93E+06 Spermine 1.70E+05 6.36E+04 1.65E+05 1.18E+04 2.13E+05 8.52E+04 4.12E+04 3.57E+04 3.68E+05 3.99E+05 1.93E+05 2.75E+05 3.34E+05 3.14E+05 1.89E+05 4.02E+05 2.39E+04 9.97E+03 2.25E+05 2.82E+05 1.60E+05 2.38E+05 9.27E+04 3.62E+05 2.48E+05 2.56E+05 1.52E+05 0.00E+00 1.08E+04 6.38E+03 1.62E+05 Creatine 1.42E+06 1.22E+06 1.08E+06 2.11E+06 8.08E+05 1.73E+06 1.72E+06 2.28E+06 1.15E+06 2.14E+06 1.60E+06 7.35E+05 9.11E+05 6.54E+05 1.19E+06 1.41E+06 1.31E+06 2.33E+06 6.25E+05 7.10E+04 5.63E+05 1.20E+06 4.88E+05 7.34E+05 1.05E+06 1.37E+06 6.08E+05 1.33E+06 7.90E+05 9.85E+05 8.48E+05 Creatinine 7.42E+05 6.50E+05 8.03E+05 4.20E+05 2.71E+05 8.33E+05 7.79E+05 7.70E+05 9.48E+05 8.61E+05 8.54E+05 9.41E+05 9.96E+05 8.20E+05 8.35E+05 7.98E+05 2.54E+05 1.84E+05 7.16E+05 1.22E+05 4.07E+05 9.26E+05 7.02E+05 9.21E+05 1.21E+06 7.39E+05 7.19E+05 1.03E+06 1.89E+05 5.79E+05 8.24E+05 Guanidinoacetate 2.48E+04 9.25E+04 3.07E+04 3.84E+05 4.40E+04 1.64E+05 2.03E+05 1.60E+05 2.39E+04 1.45E+05 1.59E+05 4.71E+03 4.88E+03 3.33E+03 1.64E+04 5.71E+04 1.79E+05 9.01E+05 5.07E+03 2.48E+03 7.65E+04 8.32E+04 5.84E+03 4.83E+03 4.38E+03 9.20E+04 2.94E+03 1.22E+05 1.32E+05 1.25E+05 1.98E+04 Pantothenate 1.29E+05 7.34E+04 9.32E+04 3.55E+04 2.28E+04 9.57E+04 1.30E+05 1.13E+05 3.79E+05 3.83E+05 2.18E+05 2.98E+05 4.91E+05 2.67E+05 6.34E+04 1.39E+05 1.96E+04 1.45E+04 3.78E+05 7.47E+03 2.15E+04 2.10E+05 8.78E+04 4.14E+05 8.42E+05 1.89E+05 1.08E+05 4.14E+04 1.49E+04 4.10E+04 1.68E+05 Pantetheine 9.99E+05 7.13E+04 1.62E+05 1.32E+04 5.34E+04 2.95E+04 1.08E+05 1.15E+05 1.43E+05 8.84E+04 1.80E+05 3.11E+05 5.21E+05 8.88E+04 9.75E+04 1.04E+05 2.37E+04 9.63E+04 2.57E+05 1.50E+05 5.59E+05 1.53E+05 1.37E+04 3.33E+05 7.70E+05 2.67E+05 1.86E+05 6.08E+04 2.87E+04 4.23E+04 8.50E+04 L-Methionine S-oxide 2.07E+05 7.07E+04 3.13E+04 2.09E+05 3.53E+04 1.41E+05 1.24E+05 6.10E+04 5.73E+04 1.64E+05 8.62E+04 1.90E+04 1.83E+04 1.70E+04 3.18E+04 3.94E+04 4.25E+04 2.20E+05 4.10E+04 1.28E+04 6.74E+04 4.36E+04 1.38E+04 2.25E+04 7.44E+04 8.68E+04 1.98E+04 9.13E+04 7.92E+04 6.53E+04 4.92E+04 Indole 1.79E+05 1.67E+05 1.56E+05 1.80E+05 1.89E+05 2.29E+05 1.70E+05 2.13E+05 1.70E+05 1.59E+05 1.92E+05 2.21E+05 2.10E+05 1.77E+05 1.98E+05 2.13E+05 2.16E+05 1.77E+05 1.82E+05 1.72E+05 1.82E+05 2.10E+05 1.61E+05 1.89E+05 1.89E+05 2.40E+05 1.88E+05 1.56E+05 1.70E+05 1.73E+05 1.96E+05 L-Adrenaline 2.09E+05 3.97E+05 5.64E+04 5.37E+05 1.90E+05 5.16E+05 5.71E+05 6.22E+05 1.63E+05 7.20E+05 2.74E+05 4.68E+04 2.09E+04 3.97E+04 9.97E+04 8.76E+04 5.84E+05 7.07E+05 5.81E+04 6.25E+03 1.94E+05 1.93E+05 3.05E+04 4.28E+04 3.38E+04 2.82E+05 1.03E+04 5.04E+05 3.54E+05 4.44E+05 1.24E+05 Serotonin 4.10E+04 1.81E+04 1.32E+04 6.53E+03 8.47E+03 1.59E+04 1.36E+04 2.49E+04 2.05E+04 2.90E+04 2.14E+04 3.24E+04 4.76E+04 2.49E+04 1.35E+04 2.20E+04 1.75E+04 2.36E+04 2.06E+04 1.28E+04 4.62E+04 2.09E+04 1.56E+04 2.07E+04 5.98E+04 1.28E+04 2.88E+04 1.14E+04 6.52E+03 7.86E+03 1.62E+05 Ectoine 4.88E+04 4.57E+04 4.69E+04 4.84E+04 4.22E+04 4.40E+04 4.83E+04 5.57E+04 3.96E+04 4.16E+04 5.17E+04 6.69E+04 3.94E+04 7.16E+04 5.85E+04 4.66E+04 4.31E+04 3.11E+04 4.49E+04 2.60E+04 3.02E+04 3.95E+04 7.27E+04 4.36E+04 0.00E+00 4.14E+04 5.28E+04 5.94E+04 4.47E+04 4.62E+04 5.66E+04 Sphingosine 5.24E+06 1.21E+06 1.06E+06 2.58E+06 2.74E+06 2.72E+06 2.04E+06 2.44E+06 1.61E+06 4.96E+06 4.96E+06 1.50E+06 2.38E+06 3.00E+06 1.68E+06 1.65E+06 8.48E+05 1.24E+06 1.16E+06 2.20E+06 1.65E+06 8.84E+05 2.11E+06 1.56E+06 4.84E+06 2.47E+06 1.69E+06 5.89E+05 1.27E+06 9.90E+05 7.02E+06 Sphingosine 1-phosphate 4.39E+04 2.29E+04 3.07E+04 2.66E+04 6.36E+04 4.59E+04 5.61E+04 7.63E+04 6.15E+04 8.95E+04 6.60E+04 6.52E+03 3.91E+04 3.84E+04 9.88E+04 4.67E+04 1.98E+04 1.77E+04 2.45E+04 2.64E+04 7.62E+04 3.70E+04 5.19E+04 2.45E+04 4.38E+04 3.47E+04 7.04E+04 2.66E+04 2.06E+04 2.77E+04 1.04E+05 Acetylcholine 1.26E+05 2.09E+05 1.16E+05 2.91E+05 1.30E+05 2.30E+05 3.10E+05 2.52E+05 5.80E+04 2.55E+05 2.19E+05 5.86E+04 4.66E+04 5.01E+04 1.51E+05 2.30E+05 3.10E+05 6.70E+05 5.33E+04 1.72E+04 2.70E+05 1.48E+05 4.99E+04 3.47E+04 2.39E+04 1.66E+05 5.39E+04 2.76E+05 2.76E+05 2.80E+05 1.06E+05 Choline 1.03E+07 5.43E+06 4.31E+06 1.62E+07 3.09E+06 1.31E+07 1.75E+07 8.42E+06 4.76E+06 1.40E+07 1.44E+07 1.84E+06 1.78E+06 1.55E+06 4.73E+06 4.81E+06 5.25E+06 1.50E+07 2.81E+06 1.63E+06 1.14E+07 5.53E+06 2.02E+06 2.98E+06 2.77E+06 8.54E+06 1.99E+06 6.54E+06 4.90E+06 8.16E+06 2.23E+06 Sphinganine 1-phosphate 1.24E+04 1.31E+04 3.43E+04 0.00E+00 1.16E+04 8.46E+03 4.41E+03 1.70E+04 1.31E+04 1.50E+04 7.05E+03 6.39E+03 4.45E+03 6.77E+03 3.25E+04 8.01E+03 2.11E+04 0.00E+00 1.00E+04 9.50E+03 3.40E+04 2.55E+04 3.30E+04 0.00E+00 1.62E+04 3.95E+03 2.68E+04 1.72E+04 1.49E+04 4.34E+03 1.19E+05 L-Carnitine 1.87E+06 3.07E+06 6.63E+05 3.15E+06 1.18E+06 3.43E+06 3.91E+06 4.37E+06 1.21E+06 5.80E+06 3.13E+06 2.02E+05 2.15E+05 1.98E+05 7.99E+05 1.37E+06 2.63E+06 3.79E+06 4.11E+05 1.66E+05 3.82E+06 1.20E+06 1.75E+05 2.15E+05 2.83E+05 2.59E+06 1.79E+05 1.87E+06 1.66E+06 1.76E+06 1.01E+06 propionyl-carnitine (acyl-C3) 6.86E+04 1.22E+05 6.81E+04 2.16E+05 7.74E+04 2.61E+05 1.96E+05 1.69E+05 8.39E+04 2.64E+05 1.58E+05 7.71E+04 7.99E+04 5.17E+04 8.75E+04 8.05E+04 1.33E+05 2.49E+05 6.67E+04 1.21E+04 6.56E+04 6.55E+04 4.92E+04 5.50E+04 1.20E+05 7.30E+04 3.71E+04 5.42E+04 6.38E+04 8.13E+04 4.86E+04 butanoyl-l-carnitine (acyl-C4) 3.78E+04 2.81E+04 2.83E+04 2.19E+04 1.55E+04 6.32E+04 3.99E+04 2.91E+04 7.50E+04 1.71E+05 4.63E+04 4.71E+04 7.04E+04 4.26E+04 2.64E+04 2.94E+04 1.94E+04 1.63E+04 6.76E+04 6.40E+03 2.72E+04 4.61E+04 1.50E+04 5.46E+04 1.35E+05 6.87E+04 1.67E+04 1.35E+04 1.33E+04 9.58E+03 2.61E+04 acyl-C4-OH (Hydroxybutyrylcarnitine) 6.80E+04 9.01E+04 9.22E+03 7.02E+04 3.53E+04 9.80E+04 1.22E+05 9.85E+04 3.69E+04 1.56E+05 9.23E+04 5.30E+03 2.94E+03 9.99E+03 1.09E+04 1.17E+04 7.95E+04 1.53E+05 1.07E+04 5.53E+03 3.38E+04 2.81E+04 2.78E+03 2.16E+03 4.28E+03 2.80E+04 1.91E+03 5.18E+04 2.27E+04 3.51E+04 1.34E+04 hexanoyl-L-carnitine (acyl-C6) 9.87E+04 4.88E+04 3.85E+04 4.48E+04 3.61E+04 9.19E+04 9.74E+04 8.59E+04 7.19E+04 2.47E+05 7.95E+04 6.09E+04 5.24E+04 3.01E+04 8.89E+04 1.10E+05 1.20E+05 8.67E+04 9.20E+04 8.95E+03 1.10E+05 1.98E+05 2.16E+04 5.43E+04 6.82E+04 9.61E+04 2.51E+04 3.55E+04 2.82E+04 4.11E+04 4.21E+04 O-dodecanoyl-carnitine (acyl-C12) 8.08E+03 9.16E+03 1.74E+04 6.69E+03 1.46E+04 3.50E+04 1.92E+04 1.59E+04 3.65E+04 4.37E+04 4.00E+04 5.34E+03 3.06E+04 0.00E+00 4.86E+04 6.59E+04 8.77E+04 4.36E+04 7.40E+04 4.46E+03 2.33E+04 5.42E+04 8.64E+03 3.45E+03 5.30E+03 3.40E+04 0.00E+00 8.73E+04 2.35E+04 1.30E+04 2.87E+04 O-tetradecanoyl-L-carnitine (acyl-C14) 5.41E+04 4.43E+04 1.63E+05 8.58E+04 1.33E+05 1.72E+05 2.22E+05 9.69E+04 1.62E+05 2.44E+05 2.28E+05 7.21E+04 1.84E+05 2.26E+05 2.00E+05 3.29E+05 4.59E+05 4.01E+05 4.69E+05 1.16E+05 3.20E+05 2.17E+05 6.52E+04 4.74E+04 1.08E+05 2.14E+05 5.49E+04 3.60E+05 3.02E+05 1.16E+05 6.09E+05 Tetradecenoyl Carnitine (acyl-C14:1) 1.82E+04 0.00E+00 1.97E+04 5.56E+03 6.12E+03 1.15E+04 2.09E+04 1.79E+04 4.48E+04 1.69E+04 3.11E+04 1.30E+04 1.24E+04 6.45E+03 3.88E+04 4.90E+04 6.68E+04 1.57E+04 8.35E+04 4.95E+03 4.63E+04 4.76E+04 0.00E+00 0.00E+00 9.36E+03 1.89E+04 0.00E+00 7.06E+04 1.39E+04 0.00E+00 2.54E+04 L-Palmitoylcarnitine (acyl-C16) 4.13E+05 4.16E+05 9.41E+05 7.88E+05 7.82E+05 1.13E+06 1.16E+06 8.80E+05 8.79E+05 2.90E+06 1.73E+06 3.52E+05 1.46E+06 2.09E+06 5.21E+05 1.23E+06 1.70E+06 1.88E+06 1.57E+06 1.48E+06 1.52E+06 7.45E+05 8.64E+05 3.70E+05 1.01E+06 1.54E+06 7.64E+05 2.46E+06 1.47E+06 7.75E+05 5.51E+06 Hexadecenoyl-carnitine (acyl-C16:1) 3.76E+04 8.82E+03 5.58E+04 2.10E+04 4.31E+04 5.66E+04 5.69E+04 4.14E+04 1.05E+05 7.21E+04 6.55E+04 4.81E+04 9.51E+04 1.37E+05 8.27E+04 8.39E+04 1.38E+05 7.51E+04 1.43E+05 6.30E+04 1.17E+05 3.71E+04 7.15E+04 5.00E+04 9.65E+04 9.01E+04 6.00E+04 6.29E+04 8.48E+04 3.81E+04 2.17E+05 O-octadecenoyl-L-carnitine (acyl-C18:1) 1.41E+05 5.79E+04 2.80E+05 1.41E+05 2.37E+05 1.83E+05 3.00E+05 1.70E+05 2.97E+05 4.30E+05 2.91E+05 3.65E+05 4.81E+05 9.69E+05 9.47E+04 1.72E+05 4.30E+05 2.30E+05 3.64E+05 5.83E+05 5.28E+05 1.33E+05 4.41E+05 3.01E+05 5.73E+05 3.28E+05 7.40E+05 3.81E+05 3.29E+05 1.20E+05 2.05E+06 acyl-C18:2 (Linoleoyl-CoA) 4.32E+03 2.51E+04 1.13E+05 8.06E+04 5.64E+04 9.57E+04 1.01E+05 7.63E+04 1.16E+05 1.46E+05 1.23E+05 1.78E+05 2.26E+05 4.30E+05 1.32E+05 8.88E+04 1.58E+05 1.78E+05 1.27E+05 5.20E+05 2.16E+05 7.50E+04 3.36E+05 2.11E+05 5.66E+05 1.01E+05 4.95E+05 6.05E+04 1.64E+05 6.37E+04 1.19E+06 acyl-C20:4 3.23E+04 2.11E+04 4.36E+05 8.94E+04 8.52E+04 6.54E+04 7.33E+04 6.78E+04 9.31E+04 2.19E+05 8.98E+04 4.14E+05 6.70E+05 1.11E+06 3.45E+04 1.02E+05 3.61E+05 2.15E+05 3.44E+05 1.37E+06 9.22E+05 7.23E+04 6.03E+05 3.13E+05 6.83E+05 8.33E+04 8.09E+05 1.16E+05 2.46E+05 1.28E+05 4.61E+06 Acetylcarnitine 2483204 2856311 549768.8 3459246 1318800 3252860 4657006 5816940 1074662 5608540 3100428 113373.7 180612.6 72505.15 864115.1 957961.7 1869908 6595048 382524.5 90422.62 819395.3 1388992 93583.34 85894.32 103221.2 2212396 74585.85 1063180 1021713 1503265 217287.3 Isovalerylcarnitine 183608.1 31954.37 37080.94 28277.96 30079.29 47648.39 48388.12 39833.03 55575.98 115921.8 53565.61 73861.79 109192.4 44133.91 111618.1 37282.84 36987.63 26348.26 101040.5 28090.44 57053.51 74259.01 26229.2 80617.51 232523.3 62719.09 40965.36 25173.68 36391.31 33982.82 18051.7 Hexenoylcarnitine 28620.03 22018.52 15122.17 21424.98 17121.61 14409.98 10277.04 27445.91 15195.91 16316.81 7405.535 98076.27 53126.09 19907.45 42693.15 25885.21 18368.31 17841.74 16122.02 16960.52 29837.85 13465.9 19797.9 24637.22 22375.66 17245.37 26502.99 16855.19 17320.79 22456.23 23553.07 Hexanoylcarnitine 98672.46 48758.89 38513.35 44773.26 36105.16 91900.91 97409.23 85939.52 71884.1 246739.9 79547.3 60938.25 52403.19 30142.68 88947.6 109822.3 119847.1 86705.24 92010.12 8945.423 109955.3 197929.8 21575.29 54333.41 68156.62 96113.12 25149.22 35500.97 28244.46 41148.17 42084.21 Dimethylheptanoyl carnitine 43847.06 48749.99 30805.96 62382.25 47274.5 56063.2 53383.51 60730.15 38894.62 43855.46 58615.85 34047.89 66512.41 57893.64 52494.14 63632.4 62857.3 45114.39 36727.31 42060.4 62717.16 69260.88 29144.53 57984.45 49730.54 44953.49 55131.94 59792.75 50978.23 53946.03 38787.01 Pimelylcarnitine 20729.35 13437.97 19362.94 8430.459 13314.21 15013.31 12856.38 14896.05 25660.23 28308.64 22715.78 37264.58 50876.67 32283.56 22410.78 26998.43 5230.255 5044.143 48356.92 54871.89 19637.28 24959.56 11665.27 33707.23 88615.25 31897.24 25010.44 5346.329 5276.772 4847.814 24982.23 Hydroxyoctanoyl carnitine 57094.07 32309.62 27479.27 25246.16 30802.74 49256.53 51848.62 50186.86 68983.49 83721.77 46858.97 136974.5 198573.1 36008.66 27716.96 27009.53 29840.53 53077.73 79167.09 55014.52 66401.62 60965.86 23932.44 70112.07 144954.9 63753.93 42695.59 23286.64 21251.86 19984.61 22600.58 Decanoylcarnitine 9054.413 6812.295 9306.749 16640.36 12960.18 6458.267 15734.5 10965.17 16152.7 26203.25 9301.737 9234.456 8891.762 9140 10890.3 17275.1 24160.47 18763.56 29119.49 42335.87 19629.51 11037.84 5965.793 68283.09 8516.452 15548.1 14689.88 8330.5 21064.33 16484.21 8691.065 Hydroxynonanoyl carnitine 20142.76 13206.48 16128.13 21738.18 22949.48 17524.51 15545.12 26359.99 20742.14 0 13733.01 26251.37 27444.47 22011.61 16694.41 17720.55 21290.88 30756.73 20270.87 10848.48 24399.95 18365.69 20791.47 35390.41 29451.72 23491.08 17747.87 23482.24 22595.19 8066.25 0 Dimethylnonanoyl carnitine 40489.11 36372.42 42450.89 45434.39 66021.45 56646.91 53390.75 70183.97 36332.89 53124.66 44213.05 35095.49 25362.95 23626.7 25971.94 62020.2 47576.94 44999.66 25430.79 28426.82 29347.15 47064.08 38456.33 35299.71 31499.22 49611.33 35853.02 29342.04 51076.63 42518.73 41631.28 Hydroxydecanoyl carnitine 46871.52 14840.59 6953.727 9456.335 16231.07 29799.62 26614.07 36339.98 22501.15 54714.84 7787.56 26569.91 27393.21 7685.086 23856.57 13402.46 15313.59 43396.19 19076.33 8671.356 19324.52 27013.09 4719.125 16322.39 8140.955 16485.4 22526.56 10776.1 8344.124 8757.019 9372.821 Hydroxydodecanoyl carnitine 20323.77 4858.579 11596.88 7227.815 6364.055 24249.19 19212.79 24168.7 14079.86 29206.44 16715.43 5094.947 4917.746 8678.504 8710.265 5059.168 11840.03 21963.35 6390.614 2868.287 5319.506 12326.38 3556.396 0 9212.892 18008.72 8201.561 4122.098 12256.72 9752.471 0 Tetradecenoylcarnitine 18233.9 0 19670.96 5564.208 6121.841 11527.92 20871.72 17863.19 44778.93 16903.25 31089.54 13046.98 12399.27 6447.271 38770.12 48961.03 66792.65 15679.12 83540.84 4945.647 46341.57 47593.39 0 0 9361.941 18894.55 0 70625.05 13858.47 0 25427.48 Tetradecanoylcarnitine 54072.59 44317.42 163108.9 85767.79 133288.6 172307.4 222218.9 96857.76 162173.7 244397 227920.5 72075.45 183542.5 225923 199545.3 328567.5 459452.5 401401.5 469252.2 116248.9 320335.5 217383.3 65235.86 47370.97 108467.2 213857.1 54930.89 360225.4 301945.4 116251.1 609377.6 Hydroxytetradecenoylcarnitine 17719.76 4099.53 3544.438 6379.125 3856.319 22101.69 27560.47 21824.71 11295.75 32856.62 15240.8 4411.908 3924.157 0 4746.848 0 16152.48 26201.55 4463.64 4322.463 0 0 0 0 5823.611 15674.35 0 5806.385 5615.543 0 7705.77 Pentadecanoylcarnitine 14517.68 12884.38 22297.27 13531.51 18814.23 32701.68 34224.02 18555.23 21384.3 34148.97 27548.03 27261.13 22879.57 30707.26 80203.54 36791.82 31392.34 44069.19 41873.39 21451.92 19960.2 16264.55 14712.69 19238.93 21203.88 38355.68 21830.12 16027.96 39668.17 13092.75 97023.34 Hydroxytetradecanoyl carnitine 35619.33 6337.446 21335.25 27344.92 5270.537 43550.97 38662.53 24107.22 28747.98 76922.35 38720 11552.46 0 6874.853 32781.97 21203.46 26579.81 49016.64 24621.62 0 6450.118 25939.47 0 0 0 25193.66 4849.82 26425.85 7299.568 13367.53 15783.45 Hydroxyhexadecanoyl carnitine 61941.86 47373.07 78024.96 73043.77 32693.62 113982.4 102039.3 77409.15 70960.69 203752.5 74132.38 8229.39 81703.3 150536.9 56002.32 71301.08 65081.89 124426.6 110681.8 92463.88 76948.74 64022.72 31961.37 7075.65 64084.39 99487.06 33125.78 99115.41 73354.16 91540.98 534975.9 metabolite_name parent medRt L-alanine 90.0556 0.22 L-arginine 175.1190 0.17 L-asparagine 133.0605 0.17 L-glutamate 148.0604 0.17 L-glutamine 147.0762 0.18 L-histidine 156.0764 0.18 L-leucine 132.1018 0.19 L-lysine 147.1125 0.17 L-methionine 150.0579 0.19 L-phenylalanine 166.0859 0.26 L-proline 116.0709 0.17 L-serine 106.0501 0.17 L-threonine 120.0656 0.18 L-tryptophan 205.0970 0.41 L-tyrosine 182.0809 0.19 L-valine 118.0865 0.19 AMP 348.0695 0.22 Cytidine 244.0954 0.63 Allantoate 177.0615 0.15 Nicotinamide 123.0555 0.18 Nicotinate ribonucleotide 337.0609 0.21 Glutathione 308.0901 0.20 Spermidine 146.1650 0.15 Spermine 203.2227 0.15 Creatine 132.0769 0.17 Creatinine 114.0664 0.19 Guanidinoacetate 118.0614 0.17 Pantothenate 220.1175 0.32 Pantetheine 279.1414 0.74 L-Methionine S-oxide 166.0527 0.20 Indole 118.0654 0.81 L-Adrenaline 184.0949 0.15 Serotonin 177.1018 0.19 Ectoine 143.0813 0.21 Sphingosine 300.2891 0.78 Sphingosine 1-phosphate 380.2552 0.77 Acetylcholine 146.1173 0.16 Choline 104.1074 0.16 Sphinganine 1-phosphate 382.2708 0.78 L-Carnitine 162.1122 0.17 propionyl-carnitine (acyl-C3) 218.1385 0.18 butanoyl-l-carnitine (acyl-C4) 232.1542 0.36 acyl-C4-OH (Hydroxybutyrylcarnitine) 248.1488 0.20 hexanoyl-L-carnitine (acyl-C6) 260.1855 0.63 O-dodecanoyl-carnitine (acyl-C12) 344.2788 0.75 O-tetradecanoyl-L-carnitine (acyl-C14) 372.3102 0.78 Tetradecenoyl Carnitine (acyl-C14:1) 370.2946 0.76 L-Palmitoylcarnitine (acyl-C16) 400.3411 0.83 Hexadecenoyl-carnitine (acyl-C16:1) 398.3258 0.80 O-octadecenoyl-L-carnitine (acyl-C18:1) 426.3567 0.84 acyl-C18:2 (Linoleoyl-CoA) 424.3410 0.81 acyl-C20:4 448.3410 0.81 Acetylcarnitine 204.1229 0.172105 Isovalerylcarnitine 246.1698 0.6123381 Hexenoylcarnitine 258.1697 0.6563342 Hexanoylcarnitine 260.1855 0.6275252 Dimethylheptanoyl carnitine 302.2322 0.8198106 Pimelylcarnitine 304.1752 0.6294311 Hydroxyoctanoyl carnitine 304.211 0.6134121 Decanoylcarnitine 316.2478 0.7397916 Hydroxynonanoyl carnitine 318.2267 0.6402744 Dimethylnonanoyl carnitine 330.2632 0.8124963 Hydroxydecanoyl carnitine 332.2427 0.6854022 Hydroxydodecanoyl carnitine 360.2733 0.7055764 Tetradecenoylcarnitine 370.2946 0.759873 Tetradecanoylcarnitine 372.3103 0.7853739 Hydroxytetradecenoylcarnitine 386.2892 0.7253172 Pentadecanoylcarnitine 386.3256 0.8065909 Hydroxytetradecanoyl carnitine 388.3046 0.734615 Hydroxyhexadecanoyl carnitine 416.3359 0.7778495