metabolite_name sample_1 sample_2 sample_3 sample_4 sample_5 sample_6 sample_7 sample_8 sample_9 sample_10 sample_11 sample_12 sample_13 sample_14 sample_15 sample_16 sample_17 sample_18 sample_19 sample_20 sample_21 sample_22 sample_23 sample_24 sample_25 sample_26 sample_27 sample_28 sample_29 sample_30 sample_31 sample_32 sample_33 sample_34 sample_35 sample_36 sample_37 sample_38 sample_39 sample_40 sample_41 sample_42 sample_43 sample_44 sample_45 sample_46 sample_47 sample_48 sample_49 sample_50 sample_51 sample_52 sample_53 sample_54 sample_55 sample_56 sample_57 sample_58 sample_59 sample_60 sample_61 sample_62 sample_63 sample_64 sample_65 sample_66 sample_67 sample_68 sample_69 sample_70 sample_71 sample_72 sample_73 sample_74 sample_75 sample_76 sample_77 sample_78 sample_79 sample_80 sample_81 sample_82 sample_83 sample_84 sample_85 sample_86 sample_87 sample_88 sample_89 sample_90 sample_91 sample_92 sample_93 sample_94 sample_95 sample_96 sample_97 sample_98 sample_99 sample_100 sample_101 sample_102 sample_103 sample_104 sample_105 sample_106 sample_107 sample_108 sample_109 sample_110 sample_111 sample_112 sample_113 sample_114 sample_115 sample_116 sample_117 sample_118 sample_119 sample_120 sample_121 sample_122 sample_123 sample_124 sample_125 sample_126 sample_127 sample_128 sample_129 sample_130 sample_131 sample_132 sample_133 sample_134 sample_135 sample_136 sample_137 sample_138 sample_139 sample_140 1_3-Dimethylurate 90.1 43 214.3 31.6 81.9 196.9 45.5 91 480.6 62.2 36.5 93.5 52.1 62.5 0.9 154.3 216.3 420.3 0.5 410.8 133.2 355 80.2 171.2 135.8 33.6 78.2 19.2 148.5 68.5 190.1 124.1 5.4 17.1 51.2 4.1 77.9 21 14.8 84 74.2 21.4 487.5 1.1 21.8 53 114.7 136.3 58.2 5.5 98.6 47.1 83.7 111.9 6 104.9 14.4 26.6 69.4 48.5 9.8 66.6 192.5 8.3 34.1 58.5 37.6 56.9 33.4 123.7 19.6 148.1 46.1 221.2 126 115.3 37.2 35 102.3 170 7.9 20.3 273.7 41.5 138.2 909.9 49.1 31.3 45.8 189.1 23.9 31 145.8 181.7 0.7 31.9 123.9 25.9 0.9 51.4 41.3 86.7 316.4 152.3 215.8 205.1 48.1 7.1 27.2 113.4 50.8 8.6 0.4 163.1 25.3 89.9 12.3 133.9 7.5 97.6 405.3 45.4 30.7 99.8 1_6-Anhydro-β-D-glucose 491.6 525.7 10703.2 59.7 258.7 128.2 190.4 231.9 470.3 181.5 190.1 525.3 205.9 94.7 250.3 29.8 123.5 225.3 306.9 422.2 183.1 532.7 26.8 4235.4 689.7 854.9 178.1 494.4 301.7 279.2 351.4 767.8 270.2 434.6 268.2 286.8 228.2 65.1 1196.7 582.4 40.8 307.8 64.8 383.3 285.4 583.8 241.2 20.8 362.5 1406.6 142 73.6 78.4 351.3 153.6 1765.5 637 1089.2 381.5 48.7 305.9 873.8 373.2 116.9 399.7 1013.2 36.5 93.8 179.8 166 573.8 390.6 447.4 219.6 123.5 407.6 101.6 235 167 3.1 310.5 269.5 333.9 39.3 189.3 517.2 384.8 29.3 831.8 495 246.7 271.1 38.3 1106 139.8 693.4 2062 139.8 254.9 767.1 300.4 104.1 23.5 1189.7 26195.8 549.6 213.3 232.6 9.9 570.8 119.5 97.9 147 408.4 362.6 582.6 260 357.8 394.3 263.9 394.2 133.4 82.4 772.5 4.8 180.1 218.6 682.7 341.5 235.9 112.8 81 172.6 390.5 341.1 510.7 191.6 56.8 342.7 1_7-Dimethylxanthine 202.9 130.2 104.7 86.4 315.1 862.5 32 212.5 60.7 75.5 153.1 215.8 19.6 68.2 59.1 41.1 99.7 173.3 191.9 96.7 106 108.8 7.8 145.3 451.1 172.2 126.3 74.9 276.6 126.3 152.7 290.9 82.6 162.2 343.9 12.3 237.7 103.7 10.9 77.7 69.7 31 40.7 192.8 244.4 13.2 115.2 234.3 70 72 244.5 46.7 235.5 537.6 524.2 130.8 105.1 44 270 32.2 195.1 143.8 54.5 91.1 16 43.5 36.5 284.3 64.6 82.6 65.1 65.5 85.4 45.2 30.8 24.3 295.3 42.4 183 34.5 263.3 140 224.6 45.9 166.7 262.7 269.6 178.8 84.6 396.4 41.5 102.5 441.3 88.2 96.1 53.6 0.1 47.9 4.7 417.5 178 81.2 71.1 239.4 397.8 29.7 58.9 162.8 91.7 278.1 158 198.8 110.5 274.5 170.3 43.4 163.5 116.3 12.8 120.1 12.4 57.9 147.2 50.2 195.2 45 121.5 67.9 232.1 521.9 41 35.9 247.4 1-Methylnicotinamide 35 46.8 14 8.7 18.7 18.2 8.4 36 47.4 45 40.9 26 70.6 51.1 13.4 40.4 23.7 28.1 51.4 8 31 91.8 6 27.8 40.9 58.5 38.8 242.5 58.3 27.6 43.7 70.3 10.3 33.7 48.8 109.8 50.1 8.7 13.8 8.2 72.7 35.5 55.9 7.5 1.6 84.5 11.2 57.1 30.4 50.5 16.9 15.2 49.4 11 39.6 71.4 34.2 15.7 109.4 19.9 45.7 0.6 26.6 136.3 26.3 90.5 141.8 16.6 173.9 16 2.1 33.1 79.9 25.4 19.5 37.7 79.8 57.4 40.4 144.8 29.9 56.8 46.2 27.7 45.4 41.4 14.4 18.8 26.8 52.5 26 24.8 39.9 36.8 100.5 7.8 37.2 56.7 203.6 39.9 17.3 51.3 15.5 35.9 32.7 32.6 49 22.4 0.1 19.4 1.8 39.7 86.4 32.8 35.3 73.9 7.3 24.9 38.3 6.4 53.8 128.4 38.4 38.1 91.9 18.7 20.9 28 2-Aminoadipate 164.2 694.5 483.4 88.6 243.2 200.1 362.7 72.5 270.2 203.4 146.5 62.6 106.9 95.5 65.4 193.1 45 51.2 180.1 13.4 353.8 228.6 38.3 2014.7 551.7 305.5 253.3 152.6 187.8 221 170.1 227.2 160.4 211.3 43.7 32.4 168.4 119.6 267.5 493.5 81.3 25.8 180.1 30.9 67.3 196.5 354.6 67 22.3 110.2 368.4 31.3 25.5 77.2 182.9 45.2 425.8 520 229.3 237.7 2.7 64.6 452.3 167.2 107.2 365 510.8 47.4 65 23.3 138.5 176.8 236.2 381.8 68.8 360.5 140.8 366.4 48.2 32.5 160.3 67.2 125.1 75.1 543.8 252.4 402.7 254.8 460 146 321.6 92.7 514.2 218 175.3 1.3 35 174.4 170.1 53.9 65.2 35.2 2503 333.3 215.8 143.5 144.3 164 2143.1 54 52.2 165.6 72.8 256.6 304.7 156.4 77.5 150 117.8 79.2 160.3 131.9 153.5 94.4 168.4 67 822.9 53.8 167.7 56.7 44.6 324.6 58.9 174 732.1 40.8 17.4 166.6 2-Aminobutyrate 19.7 114.5 152.3 10.3 18.4 4.7 35.7 6.7 57.4 18.7 26.9 12.8 25 9 20.5 15.6 40.4 7.1 18.6 39.6 57.9 75.7 0.6 144.1 112.1 27.7 16 21.4 29 24.3 48.6 38.6 25.9 5.8 84.4 26.1 10.8 24.7 61.1 32.1 71.2 11.7 27.6 6.2 18.6 18.6 108.5 27.8 25.5 8.3 52.8 5.7 8.4 36.9 3.5 9 97.6 19 27.9 39.7 17.3 115.2 153.1 19 8.5 42.1 93.4 2.1 56.5 23.8 10.5 44.5 51.8 27 13.6 14.2 19.9 36.4 16.4 1.3 25.2 60.4 16.3 100.5 33.9 172.6 54.6 18.6 95.8 5.3 67.8 31.3 15.2 31.1 16.7 18.8 61.6 15.3 6 8.5 339.4 35.3 45.2 15.5 19.7 8.8 38 61 26.9 37.3 19 41.9 6.5 129.9 32.2 34 18.7 9.7 22.9 256.8 18.9 21 106.5 30.2 72.8 0.2 18.7 79.7 26.5 7.7 145.7 32.2 11.1 2-Furoylglycine 41 37.9 110.1 170.3 349.4 37.3 59.6 15.3 213.8 44.4 20.6 42.4 9.5 10.4 26.2 72.9 58 23.6 46.1 12.1 112.3 25.8 12.2 370.7 173.4 53.3 16.4 41.2 166.3 381.5 74 29.7 37.5 8 28.3 20.5 43.6 70.8 316.6 107.8 10.5 63.8 16.3 42.7 63 204.3 13.2 62.9 28.9 9.4 144.2 19.8 40.6 25.1 78.9 407.4 19.2 28 220.9 18.1 45.7 40.9 116.1 26.1 276.1 243.6 22.2 17.1 94.3 28 44.8 47.2 295.4 21.9 38.8 42.4 224.4 13.2 9.1 41.6 4.6 39.3 9.2 169.9 18 26.7 35 54.3 44.5 279.8 17.5 8.6 465 38.6 10.8 31 12.7 42.5 45.3 10.2 10.2 12.7 171.3 44 32.2 12.1 41 18.1 83.3 152.5 90 51.1 16.6 78.7 30.3 39.9 59.7 50.8 13.8 42.3 22.5 31.4 16.3 39.3 16.7 52.8 38.3 23.6 13.4 38.9 42.3 38.4 492.6 46.5 12.9 43.4 2-Hydroxyisobutyrate 46.5 125.7 85.1 23.9 61.1 243.7 51.3 37.1 65.6 48.6 64.4 68 62.7 26.4 81.2 30.7 70.5 27.9 49.9 47.2 73.3 207.4 18.8 80.1 112.9 69.2 36.8 50.8 53.6 43.6 72.2 118 85.9 52.3 99 25.3 49.2 81.7 81.6 204.4 66.1 9.3 68.1 12.9 50.4 47.1 103.2 41.5 40 65 121.9 19.5 9.3 21.8 49.8 22.3 111.8 137.8 66.5 121.1 26.9 62.9 161 48.3 21 117.8 126.2 17.8 55.8 49.3 15.3 54.6 44 266.6 40.6 44.1 57.7 37.2 129.8 40.7 17.3 45.1 49.6 41.2 33.4 73.4 71.4 35 73.9 126.1 43.8 23 22 47.7 55.1 61.4 49.7 78.5 54.5 43.2 118.4 48.7 49.9 17.3 98.3 26 67.4 26.7 46.4 16.5 525 281.1 26.7 59 51.2 37.5 76 43.2 114.2 77.6 37.9 66.2 17.8 53.6 89.2 20.9 47.3 22.4 99.8 51.8 90.6 21.5 34.3 162 62.3 46.3 95.1 25.9 12 47.4 2-Hydroxyphenylacetate 17.3 57.8 238.3 12.2 293.3 22.7 59.5 47.2 42.2 128.3 60.7 5.4 38.4 27 39.3 42.5 168.6 9.6 162 64.9 612.1 44.4 37.7 24.5 200 113.9 11.8 44.4 0.9 27.8 46.6 113.5 17.2 22.6 106.4 46.5 27 31.6 142.6 79.7 161.7 1.1 15.2 23.2 59.1 20.7 123.5 75.3 56.6 14.2 13.4 29 52 42.9 241.1 95.3 16.3 128.8 9.5 74.9 40 2.7 59.7 54.6 130.8 9.8 15.4 30.3 25.3 15.9 113.2 47.2 85.7 131.1 9.6 35.5 60.4 55.3 28.5 63 20.1 0.9 44.4 21.3 0.7 119.4 76.7 17.1 50.5 4.5 193.6 46.8 34.6 66.3 6.9 46.8 23.5 166.6 30.8 28.7 15.1 30.9 11.2 211.9 23.1 99.5 9.8 41.6 36.8 143.2 7.3 6.1 50.3 2-Oxoglutarate 106.8 48 72.9 113.1 60.1 47.8 148.9 153.8 64.6 66.5 49.6 77.3 47.7 122.8 109 101 0.1 235.3 19.2 175.6 219.1 413.9 15.7 152.4 74.3 95.1 13.2 173.4 94.6 130.8 48.6 121.5 64.8 182.1 497.9 51.5 255.7 24.2 87.1 22.7 161.5 49.9 149.3 48.1 135 43 93.4 24.6 38.4 38.1 80.1 29.1 78.5 148.5 63.1 284.7 138.8 176.4 91.5 83.7 122.5 26.7 15.7 0.6 5.3 26.2 222.3 47.9 31.7 75.3 40.7 41.5 68.9 74.9 103.6 97.1 14.8 601.6 239.8 148 11.8 92.6 107.4 0.7 2026.8 109.5 245 231.2 124.5 51 12.2 147.3 180.8 0.2 61.7 2.8 818.8 339.9 219.2 28.6 80.8 23.5 29.1 32.6 98.1 110.1 16 266.7 97 92.1 64.3 152.9 31.4 44 2.5 203.3 133 137 199.6 6.1 17.9 6.2 450.4 68.3 88.4 150.1 42.2 19.3 106 3-Aminoisobutyrate 61.7 490.6 2441.2 140.7 48.7 103.7 58.1 54.1 92.9 59 38.5 100.7 58.2 215 73.7 21.5 161.9 58.2 96.1 446.6 482.3 153.6 105.1 113.2 25.8 81.6 5.7 73.6 413 77.3 55.5 36.8 295.6 0.7 82.9 97.9 59.4 163.8 482.9 20.6 562.4 27.7 174 94.7 111.3 68.3 29 66.8 38.4 20.4 41.8 91.7 31.7 133.9 353.2 164.7 130.9 51 120.1 262.2 82.7 40.2 38.3 0.3 23.8 2.5 81.2 47 56.9 74.3 497 298.8 67.2 88.3 238.9 118.6 33.7 82 76.3 264.8 58 109.1 1688.2 45.1 273 74.6 36.2 180.1 20.8 205.1 64.1 29.4 27.8 78.4 1018.4 57 24.1 343.5 142.5 307.9 124.6 23 97.9 911.7 2676.3 36.6 122.6 306 29.6 4.5 85.7 107.9 113 158.4 210.4 74.7 217 185.1 607.3 87.2 24.2 782.8 139.1 553.1 35.8 134 112.7 23.2 80.9 194.7 50.7 21.7 55.5 3-Hydroxy-3-methylglutarate 75.3 203.4 100 12.6 57.3 116.6 97.8 26.9 65.6 82.2 42.5 72.1 32.9 72.2 40.1 28.1 18.5 19.3 80.7 36.9 64.4 193.4 13.6 116.8 104.1 56.8 25.8 39.3 22.8 83.7 126.1 64.8 53.2 28.4 50.9 25.6 50.2 145.3 144.6 225.2 54.5 4.8 32.4 41.1 61.8 46.9 83.7 49.2 69.6 46.3 239.2 14.9 11.1 41.2 48.5 1.7 120.5 181.3 37.8 94.5 32.1 43.1 143.8 67.3 20.5 42.7 122.5 13.8 35.2 42.1 16.2 46.2 43.5 131.5 48 50.9 109.4 26.3 96.9 29.4 12.1 79.8 30 48.7 30.4 110.3 56.9 80.3 25.7 137.2 51.8 44.2 123.8 51.1 134.7 9.9 37.8 88.4 29.2 41.7 69.5 73.4 19.7 20.2 359.5 47.1 70.6 17.5 57.3 13.8 576.2 159.2 40.6 32.3 81 56.4 88.1 53.7 75.7 93.7 31.1 5 51.1 54.3 101.3 13 40.8 34.1 59.2 45.2 164.4 55.8 28.5 103.1 44.8 49.5 124.2 30.5 8 46.1 3-Hydroxybutyrate 79.7 330.8 873.3 46.3 140.1 81.7 95.8 48.2 77.6 86 96.9 103.8 471.4 133 73.8 252.5 271.8 101 90.7 346.8 120.8 1599.4 7547.4 239.3 356.9 263.3 53.4 87.2 121.6 120.2 171.3 97.8 77.7 102.4 244.9 227.3 194.6 150 266.5 222.4 203.2 406.4 191.8 55.2 189.1 196.8 167 78.9 10712.7 92.4 327.3 85.3 42.8 46.6 87.4 77.4 362.8 474.7 122.8 164.4 88.3 137.1 511.9 84.3 41.1 121.4 218.4 29.7 81.3 171.2 54.2 289.5 81 385.6 178.4 86.8 173.5 93.9 162.7 2523.9 36.1 80.2 87.8 88 54.5 269.8 120 180 52.9 445.8 73.5 62.7 162.9 93.1 145.2 92.2 99.3 67.9 59.1 81.9 182.4 20 78.1 17.2 1491.2 74.4 136.5 110.6 90.1 3422.2 1052.8 123.3 49.3 72.8 85.7 79.4 105.3 80.8 252.9 171.7 107.1 129.5 61.1 86.3 242.1 227.6 80.5 68.4 211.4 73.9 3167.9 52.3 61.1 887 118.3 77.9 686.4 500 23.6 77.6 3-Hydroxyisobutyrate 35.3 29.3 62.9 77.8 52.3 34.6 30.3 61.9 28.4 42 45.5 123.6 19.1 95.8 159.2 25.4 31.4 64.9 56.7 295.8 50.3 123.7 132.4 50.9 29.7 31 92.2 81.5 62.9 98.6 29.1 61.1 105.2 73.9 32 76.1 39.1 56.1 67.5 13.3 241.5 0.2 114.1 25.7 176.7 102.6 67.3 251.1 11.7 22.5 36.9 32.5 24.9 44.8 196.8 33.3 102 28.3 73.2 112.8 31.5 23.8 84.7 61.2 37 117.2 31.6 26.7 79.7 30.1 184.8 45.3 69.4 20.4 19.6 133.3 84.3 18.6 36.8 51.1 41.2 34.6 54.2 77.4 50.6 34.4 194.2 28.3 35.2 4.9 54.2 34.5 90.9 60.2 50.4 42.3 28.2 69.8 43.3 61 56.4 83.7 39 100.8 36.7 30.8 0.5 306.8 70.8 21.5 61.5 39.4 44.1 81.8 29.3 19 94.3 71.9 437.6 17 57.2 145.2 40.6 29.4 42.9 86.4 85.5 140.2 28.8 27.8 133.9 39 27.9 166.7 26.3 12.9 30.4 3-Hydroxyisovalerate 28.8 210.7 45.4 38.3 51 76.8 58.1 19.2 54.2 29.3 62.2 60.8 83.1 39.3 48.8 91.9 69.7 24.8 28.1 67.4 94.7 157 18.5 60.1 212.3 109.1 79 28.8 70.7 59.3 73.5 108 45 35.7 109.7 51.8 31.2 86.6 55 79.8 29.4 7.9 19.1 28.3 44.3 30.3 126.7 21.5 45.9 53.8 125.6 19.4 21.1 33.4 29.7 27.2 28.4 195.6 33.2 108.8 21.2 55.5 113.2 28.7 24 36.1 62.6 21.5 69.2 62.5 22.4 53.5 29.8 165.2 29.3 43.4 62.3 31.6 50 41.6 13 27.6 36.5 26.3 28.2 121.7 74 33.2 48.4 145.2 28.6 24 33.3 33.5 62.2 75.5 31.3 26.1 145.7 29.2 68 33.8 42.1 25.2 163.6 48.7 37.9 18.8 32 78.2 181.7 56.8 25.8 45.5 43.9 43.7 74.4 29.5 31.6 86.3 59.8 20 37.4 42 67.1 39.6 27.4 22 65.5 72.2 119.9 24.2 44.3 88 75.4 30.7 79.4 21 19.7 28.5 3-Hydroxymandelate 245.9 150.3 226.4 49.7 71.3 273.5 277.2 133.3 85 281.9 5.9 67.7 62.5 40.3 134.5 54.5 79.5 34.7 153.4 52.7 120.2 292.6 68.6 665.9 53.3 160.1 91.1 204.5 209.6 95 84.1 29.1 64.7 150.7 264.2 177.6 424.5 90.4 13.5 160.2 22.8 43.4 170.4 159.4 94 103.9 617 20 39.8 236.9 20.2 120.2 32.5 98.5 42.8 38 196.3 59.1 140.9 95.9 166.4 130.8 159.3 21 89.5 186.6 56.5 130.2 61 56.2 37.8 211.5 23.3 3.7 274.3 181.8 43.3 15.5 118.2 198.9 219.1 172.7 6.8 200 47.2 76 28.2 107.2 76.9 85.5 46.1 215.5 61.4 82.7 13.5 30.6 151.8 90.5 45.6 248.1 33.8 137.9 470.4 90.7 177.4 40.7 92 22 172.1 14.9 149.8 29.2 103.4 74.9 94.1 37.4 198.2 71.1 659.9 63.5 27.7 113 72.2 36.1 57.7 284 277.5 13.2 20.1 196.1 3-Hydroxyphenylacetate 5.8 71.5 36.3 0.4 18.8 45.8 133.7 23.3 2.7 7.9 4.7 9.4 24 80 2.4 19.2 79.5 80.7 6.3 48.8 47.3 32.8 39.4 24.1 30.4 160.3 88.6 131.8 1.8 49.6 4.9 2.1 125.5 16.5 131.2 68.5 7.5 64.9 2.1 19 66.3 12.4 49.2 10.1 17.7 6.1 120.5 24.3 108.1 10.6 0.9 57.4 3 30.6 9.3 10 35.7 1.2 116.3 85.8 52 53.7 80.7 15.3 1.3 35.3 3 29 78.6 4.4 8.3 17.1 2.6 0.6 3.3 138 75.2 2.9 8.4 16.2 5.3 51.4 33 5 0.5 87 34.5 18.5 10.7 69.9 55.6 14.8 78.6 17.8 20.8 96.4 18.3 9.1 187.6 12.6 15.5 0.7 3-Indoxylsulfate 122.2 553.1 371.9 31.3 265 394.7 670.6 49 218.6 145.6 208.9 128.2 153.1 140.8 72.1 168.2 222.4 104.6 357.3 378 276.9 26.6 123.5 178.6 496.2 493.2 137.8 393.1 858.8 293 66 958.2 200.9 84.7 113.1 129.4 391.7 70.6 277.9 116.9 14.5 211.7 83.5 54.7 147.8 466.9 363.9 15.3 129.1 230.4 15.3 122.7 140 126.9 18.1 643 329 218.5 99.1 152.1 120.8 270.2 107.5 63.9 82.9 142 150.4 115.3 86.5 132.5 655.9 151.3 109 374.5 85.8 215.3 119.1 631.2 14.4 117.9 122.8 139.7 48 323.9 308.5 184.8 364.3 31.5 149.2 160.9 88.6 39.6 505 75.6 208.8 24.4 78.5 139 168.7 57.7 349.5 19.4 1236.5 465 472.8 2.6 124 69.7 804.8 373.7 106.5 75.3 72.4 185.3 50.2 55.6 43.1 832.9 129.3 119.8 321.8 81.6 142.4 197.5 113.7 109.2 140 127.3 40.1 23 150 336.3 28.2 84.4 375.1 44.8 66.9 154.3 4-Aminohippurate 90.9 217.7 98.1 38.6 84.7 66.9 99.5 58 26 55 68 26.7 29.9 44.6 53.8 91.2 9.5 2.6 116.3 142 13.9 81.8 87.5 81.9 58.5 57.1 73.8 80.3 149 113.9 66.6 3.8 10.5 72.7 163.6 136.1 58.6 4.5 41 16.6 48 171.6 46.7 15 84.9 68.1 8.2 26.2 40.1 78.3 16.7 191.7 93.2 10.5 61 76.1 107.5 6.9 90.1 108 13.3 35.1 33.9 0.4 64.4 27.3 99.7 27.8 70.3 35.6 19.4 27.3 15.5 81.5 69.8 34 31.7 181.6 9.9 69.7 47.5 185.9 80.7 14.9 25.4 33.9 105.5 34.3 40.1 22.3 43.5 41.4 48.7 25.5 50.5 9.5 197.2 118.6 123 160 15.3 153.3 214.8 34.9 43.5 131 70.7 48 28.8 76.6 68.8 20.1 48.6 118.8 41.1 73.5 45.4 94.5 29.1 63.5 7.3 84.1 34.6 72.4 192.4 23.7 10.3 73.2 4-Hydroxy-3-methoxymandelate 47 207.9 116.5 53.2 78.8 63 341.9 24 12.8 17 22.8 54.5 64.8 45.8 99.1 39.7 73.1 21.6 57 99.2 71.4 6.4 88.9 105.4 86.1 43.2 30.8 3.5 100.6 39.2 24.6 107.4 64.3 26.1 38.9 45.2 52.7 306.9 57 117.9 36.9 67 112.8 61.4 9.5 67.8 41.3 10.6 27.2 44.9 38.2 41.8 214.4 99.1 36.6 25.9 62.5 60.9 21.9 72.1 4.9 163.6 107.8 15.8 27.2 50.6 21.2 33.2 8.9 71.1 21.5 24.6 6.1 156 23.2 26.8 39.4 68.9 49.8 14.8 119.2 38.8 80.5 162.8 87 32.9 57.3 69.1 10 202.8 65.7 46.6 7.6 7.5 27.1 17.2 12.5 47.4 8.5 93.8 57 75.6 41.4 39.5 12.3 197.3 333.9 25.5 59.8 50.7 100.4 44.4 61.2 0.5 27.5 44.5 95.1 28.2 5.5 31.1 16.5 94.6 73.3 69.5 54 19.4 48.8 22.4 26.7 255.6 12.7 15.4 29.2 4-Hydroxyphenylacetate 49 238.8 30.3 45.4 141.3 101.1 1.1 21.9 20.2 32 49.8 53.3 87 31.4 63 59.5 3.4 23.4 109.5 4.1 997.2 49.9 426.9 5.4 63.7 289.5 32.6 38.1 132.3 28.7 176.1 8.6 146.2 16 190 5.6 8.7 15.1 50.8 312.5 105.4 124.7 12.3 25 13.2 28.9 19.3 6.3 22.4 13 39.8 127.3 12.4 6.3 150.4 67.8 86.2 73 29.5 33.5 5.2 15.3 4.5 0.9 94.1 62.9 28.1 29.2 11.4 13.7 13.6 2.9 41.7 135.8 1.2 0.1 100.6 30.1 43.3 12.1 3.6 17 38.1 6 0.7 19.8 3.4 43.4 110.7 6.5 148.6 69.2 42 15.7 11 36.4 4-Hydroxyphenyllactate 37.2 297.2 24.6 3.7 58 96.6 122.3 20.3 23.4 19 56.7 27.6 16.8 91.7 55.6 38.4 22.9 1.5 4.9 18.2 42.3 64.4 70 62.3 72.1 107.2 4.8 70.9 30.9 40 112.3 89.8 148.4 25.1 1.2 35.7 11.2 713.5 43.6 28.2 95.2 0.6 35.7 51.5 130.1 169.9 166.7 0.3 43.3 7.8 119.4 43.3 52.2 76.5 3.4 22.6 59 35.6 5.4 85.1 22.8 37 108.9 31.8 26.6 16.7 151.6 17.8 51.8 95 26.6 1.1 50.8 90.6 45.7 70.1 29.1 17.4 10.6 1.7 239.9 20 56.4 32.5 31.4 19.4 195.4 74.4 52.2 69.8 41.9 50.4 24.1 66.2 11.3 129.3 8.7 33.6 1.7 53.2 0.3 159.1 37.5 27.5 2.2 9.2 17.1 9 65.7 12.7 9.5 45.6 5-Aminolevulinate 422 591.2 593.4 130.1 722.1 640.5 601.8 153.5 677.4 193.3 273 784.2 581.2 256 655.5 186.6 489.3 194.9 319.7 433.4 600.5 1222.9 140.2 1049.3 534.1 515.4 314.6 114.9 551.7 1127.8 749.7 423.8 480.2 268.5 831.7 271.2 269.2 901.8 435.6 634.9 441.5 84.5 412.5 123.2 961.7 298 737.9 198.1 106.5 337.4 470.2 185.1 92.1 259.8 318.7 148.7 926.3 715.2 201.7 1020.2 210.8 377.3 460.4 339.3 74.3 603.9 1428.4 171.6 232 458.8 267.7 256.6 1156.2 329.1 469.9 245.2 468.5 1263.6 395.3 139.8 125.7 443.5 607.6 292.4 894.4 446.8 381 214.3 1579.7 377.6 422.2 2499.1 351.6 730.6 168.7 285.6 625.6 212.3 248.6 679.6 259.5 330 125.3 1385.4 649.4 1356.1 104.3 440 350.3 1092.8 234.4 232.9 468.6 1125.6 609.1 570.4 288.9 345 925.3 135.7 320.9 212.8 592.8 739.8 78 432.8 287.2 1381.2 450.5 461.4 191.8 159.4 159.5 334.5 312.4 847.3 84.5 65.8 309.7 5-Hydroxytryptophan 155.1 446.4 232.6 1.6 174.7 74.8 338.6 1.1 106.5 88.5 15.2 95.3 88.1 30.3 73.9 115.9 277.5 101.1 149.5 163 82 16.1 131.2 412.6 151.5 157.3 38.5 363 129.1 17.1 270.8 43.2 69.1 35.9 142.7 197.8 327.8 13.1 5.2 132.7 26.7 40.7 154.1 369.5 172.4 5.4 81.1 234.7 12.8 31.7 97.7 33.7 177.5 53.2 148.2 6.1 50.3 119.8 141.9 3.3 242.6 57.2 120.4 25.6 51.5 320.6 171.6 182.4 137.9 208.3 17 199.9 33 62.3 132.4 53.4 0.3 48.6 131.1 104.3 129.1 20.5 108.6 96.6 34.2 183.9 34.2 58.5 130.3 55.2 108.9 2 360.9 162.5 216.7 34 59.4 2.1 47.9 197.7 38.8 154.9 78.7 25.3 0.3 161.1 0.4 283.6 48.3 125.1 30.4 31.7 58.7 151.1 0.8 382.9 122.1 54.7 88 13.7 155.2 221.9 0.8 46.8 113.7 6-Hydroxynicotinate 21.4 28.3 35.1 26.6 58.9 29.1 57.7 6.6 39.6 26.2 16.4 14.2 15.9 5.1 13.5 16.1 25.8 5.3 14.3 17.1 30.3 42.8 0.8 76 47 27 17.9 19.8 21.2 64.7 26.2 25.4 24 11.4 14.8 12.5 18.5 23.4 55.6 90 21.4 6.8 11.8 13.8 11.5 15.9 51.5 40.9 12.6 12.3 21.2 7.7 14.5 9 23.8 6.6 51 71.8 8.8 25.2 16.3 14.1 22.7 21.8 9.2 11.9 49.6 11.2 12.6 0.4 11.8 16.1 24 52 32.1 17.7 9.7 1.4 34.4 8.3 5 14.8 20.9 32.3 23.9 52.9 20.8 38.4 1.1 43.1 18.2 31.2 54.9 13.5 52.7 23.1 10.2 17.8 6.6 22.7 37 11.6 8.5 6.4 53.5 20.8 15.7 3.9 18.2 12.9 59.9 30.5 14.1 26.7 17.1 29.4 24.3 21.7 4.4 17.4 22.3 11.3 18 20.2 31 16.2 19.5 11.9 44.9 9.4 18.3 9.5 11 16.8 15.4 19 171.8 13.6 8.2 27.2 ATP 16.5 47.9 26.8 10.3 65.9 20.3 53.5 29.3 20.8 15.4 27.1 25 23.9 13.8 39.9 41.5 24.6 2 21 13.8 42.8 36 4.3 62.3 58 18.3 78.5 20.2 30.3 29.5 7.2 27.6 13.8 47.6 4.1 23.4 31.1 48.9 23.4 4.2 11.1 7.3 12.3 20.7 58.9 13.3 6.6 22.1 72.5 8.3 16.2 19.1 7.5 24.8 374.6 12.7 70.1 50.9 24.8 24.7 21.2 8.8 23.7 52.8 5.7 15.1 6.9 34.6 13.5 33.1 25.7 18.9 19.8 16.2 21.1 8.1 13.4 16.5 17.8 26.2 12.4 41.7 13.6 34.6 18.6 44.7 21.8 16.1 30.7 16.7 94.6 19 13.1 23.3 17.2 19.8 47.2 6.2 10.2 59.9 35.1 27.3 6.7 17.3 7 62.8 22.3 31.6 16 26.2 10.1 22.2 16.7 21.2 21.1 36.6 10.3 14.1 26.8 14.1 31.7 23.6 17.8 17 10.8 23.8 16.7 16 132.5 6.8 10.4 14.9 Acetaminophen 126.8 78.4 22.8 2.8 185.5 180.7 11.1 24.9 18.6 25 48.2 46.9 25.6 35 27 84.1 16.4 81 135.3 152.3 9.6 153.3 43.1 209.1 34.6 14.5 39.9 43.2 130.2 26.3 66.6 13.4 49.7 78.8 1.6 169.4 60.2 412.8 29.7 4.3 45.9 3.3 50.6 74.6 63.5 15.5 1.4 0.4 46.4 38.1 5.9 40 47.1 10.8 8 18.8 68.9 103.9 127.3 25.7 64 7.1 108.9 22.6 15 60.4 2.9 22.9 47.2 72.2 33.5 3 2.6 17.4 27.8 149 32.7 63.2 136.6 48.8 34.9 38 3.8 55.2 21.2 34.6 53.3 12.1 21.7 44.6 11.7 0.4 143.9 10.8 16.8 7.2 212.3 527.4 4.7 14.2 21.8 75.1 1.8 6.5 19.6 23.9 25.9 11.4 37.8 25.8 86.2 27.9 4.6 1062.5 56.8 36.9 103.4 30 52.2 22.2 4.6 112.5 1 Acetate 19.9 12.9 3772.3 14.5 15.3 55.9 27.1 15.2 11 61.4 19.1 19.5 2.4 12.6 2281.2 10 9.7 117 219.3 122.9 23.5 14.1 14.3 20.6 44.4 1.1 27.5 44.8 14.8 16.1 3 9.7 28.1 0.1 918.2 137.7 38.9 203.9 22.1 70.4 8.2 15.7 18.2 1.4 3.9 26.3 22.7 43 13.5 21.3 3.9 38.6 6.7 21 117.2 28.1 27.6 13.4 28.7 1.8 22.1 55.3 23.8 1.9 20.7 22.5 4.2 184.7 18.3 12.2 15.6 40.9 7.3 39 14.2 7 59.6 15.1 2.7 25.2 21.2 1.2 15.9 183.5 101.5 25 11.2 447.2 8.4 0.1 23.2 14787.1 15.6 18.3 6.2 30.8 15.9 14.3 52.1 15.5 2 15.2 21.4 57.6 0.4 0.4 16.9 24.6 16.1 20.8 91.8 30.8 6.2 11.3 8.4 15.5 129.6 27.9 22.2 Acetoacetate 65 291.9 144.3 25.5 63.5 157.6 242.9 34.2 51.4 95.1 29.3 21 867.9 47.1 50.8 80.3 181.3 20.7 43.4 130.3 256.2 2552.8 29.7 344.3 236.2 546 213.8 104.1 235.5 305.1 71.5 62.9 200.9 57.7 158.3 134.2 43.1 95.8 71.1 192.8 39.5 602.3 197.8 27.9 21.7 57 223.5 3720.9 58.8 386.7 12.7 24.8 64.9 34.2 60.5 106 108.8 133.3 26.7 272.1 1106.5 63.2 8.4 273.1 87.2 55.8 100 8.3 16.7 621.8 81.8 183.5 171.9 51.7 19 172.7 340.1 3630.2 81.2 62.7 25.4 65 160 143.6 75.2 172.3 663.1 58.9 96.7 64.6 23 103.9 25.2 15.4 83.1 26.8 101.7 362.4 164.9 84.8 17.9 89.6 135.1 38.9 18 78.2 2413.2 389.7 87 36.7 37.6 30.1 86.3 55.3 48.1 579.5 158.5 184.4 4.8 63.4 35.2 179.3 107.8 97.5 27.6 246.1 121.8 4719 14.3 77.6 1132.2 58.7 67.4 266.7 690.7 12.8 59.1 Acetone 22 58.5 52.8 11.2 38.1 88.8 116.9 13.9 41.4 43.7 15.6 20 153.6 17.4 11.6 17.5 54 8.3 32.1 346.3 123.8 569.1 1156.8 173.2 158.6 206.8 26.8 36.6 27.5 94.1 47.7 23.7 106.5 40.2 66.8 18.7 29.4 22.2 67.7 133 25.9 58.1 16.7 32.1 8.5 29.2 31.9 53.2 1083.9 20.5 86.8 6.3 5.5 18.7 25 16.9 48.7 62.3 62.5 26.8 13.8 45.1 229.2 31.6 23.5 91.2 46.5 10 15.9 6.9 18.2 188.7 25.8 36 36.3 28 18.8 72.8 135.5 298.2 33.7 25.5 10.3 131.2 16.4 58.7 33.5 446.3 92.4 28.5 34.3 26 22.6 74.1 29.4 30.5 10 38.5 43 91.6 16.8 33.1 9.8 62.8 15.2 23.9 2.2 28.7 384.1 169.6 35.6 16.4 7.8 19.7 70.5 35.1 20.2 188.2 51.2 78.5 19.6 8.3 72.1 345 36.5 14.7 77.9 53.9 858.6 12.2 27.5 358.6 23 31.8 783.5 134.1 5.7 25.6 Adipate 18.9 1336.6 0.2 4.8 11.2 112 26.2 9.9 67.7 20.4 17.1 62.5 43.4 22.1 1.2 21.4 62.1 3.6 17.6 66.8 1017.3 233.2 13.2 142.6 101.7 135 3.9 19.2 14.1 25.9 68.6 18.5 20.1 23.4 89.6 25.1 18.7 91.8 49.3 112 13.6 19.6 86.9 17.8 50.2 17.8 49.3 52.1 12.2 32.6 9.9 2.7 11.8 18.5 7.6 101.5 41.4 30.3 30.6 2.7 52.4 46.8 19.1 3.8 14.3 39.5 2.3 13.4 0.3 2.7 122.9 15.4 52.8 51.6 16 34.5 26.2 799.8 26.2 168.6 17.4 4.9 66.4 10.3 74.7 61 101.2 60.5 74 17.5 23.1 34.2 24.2 168.1 36.5 23.6 8.6 35.7 18.8 449.9 15.1 13.6 17.4 264.9 21.5 50 30.4 20.2 29.1 444.2 102.2 4.6 5.7 11 21.4 101.6 19.2 70.4 60.9 24.8 54.7 11.6 11 82.2 43.9 18.5 24.1 264 11.7 6.1 10.2 12 115.6 43.1 19 156.9 8.8 1.3 12.3 Alanine 97.8 621.2 360.1 111.6 233.6 76.4 123.7 38.7 444.9 95.6 123.8 81.5 157.1 154.5 177.9 177.3 219.7 81.2 98.5 421.9 747.5 270.1 18.8 840.3 166.6 507.4 78.2 97.8 206.8 353.2 138 217.6 204.9 131.9 82.9 327.2 97.7 149.1 221.7 154 65.8 11.2 0.6 133.3 178.4 92.8 672 62.6 30.2 338.2 312.2 25.6 73.7 76.7 99.5 43.9 646.1 397.3 57 373.1 171.2 123.5 116.5 90 73.6 154 118.1 115.4 460.6 170.8 67.3 72.2 91.8 225.6 233.6 79.2 141.3 200.6 123.3 48.6 153.2 96.3 87.2 61.7 123.1 411.6 91.8 43.5 74.8 189.2 86.7 96.5 419.7 93.9 254.8 186.7 121.1 129.9 99.8 88.5 61.2 113.9 110.4 123.6 874.2 113.8 227.3 79 100 77.8 269.4 174.7 84.7 99.8 108.3 263.6 280.4 95.3 55.7 309.5 224.2 87 93.2 132.4 226.8 53.3 92.4 110.3 179.1 360.4 56.5 108.9 115.1 54.6 68.8 93.1 225.8 15.2 24.8 97.4 Anserine 274.1 776.7 532.3 133.4 328.4 297.9 269.5 249.8 324.5 337.3 555.4 170.7 228.4 26.8 331.3 192.7 473.1 136.4 364.3 383.6 393.5 434.3 36.7 382.6 1103.9 837.7 364.1 358.5 495.2 857.2 341.6 1127.6 139.4 214.5 482.2 234.8 308.3 463.9 582.7 316.8 321.6 65.3 200.7 77.4 500 290.3 764.1 69.2 73.9 250.4 731.2 85.8 155.8 127.3 326.4 122.2 678 724.3 400.8 299.9 145.3 333.5 445.4 294.3 214.4 292.8 414.1 65.7 179.5 199.7 283.9 301.4 297 413.4 445.6 123.5 323 455 151.5 211.1 239.8 275.8 401.3 182.3 279.9 696.9 310.2 627 204.8 496.5 272.5 175.9 308.6 227 937.8 374.8 161.8 342.8 288 286.6 471.8 255.6 300.6 110.3 961.2 382 383.9 124.9 318.3 282.1 436.8 309 202.4 355.6 400.9 315.9 358.1 282.6 442.8 639.6 296.7 338.7 243.8 421.1 640.1 109.8 292.4 155.6 667.9 225 183.3 135.1 312.8 545.2 563 287.3 1070.4 242.3 102.1 278.9 Arginine 26.3 324.5 507 37.3 79.4 11.3 72.5 97 93 72.6 142.7 51.8 214.7 137.7 65.3 39.8 21.3 209.8 558.6 1605.4 208.7 315.1 15.4 157.4 81.8 375.6 99.5 19.7 143.4 53.3 32.5 178.7 341.1 162.8 6.6 8.3 26 114.3 36.2 213.6 88.5 106.7 229.7 3.2 74.4 52.6 17.8 452.5 263.2 52 325 105.6 130.1 158.8 44.1 260.1 9.2 284.2 107.7 21.1 144.9 15.5 281.1 252.3 146.1 325.6 21.9 67.6 37.7 3.1 20.7 75.1 656.6 25.2 38 249.1 224.4 40.3 105.4 410.9 69.3 227.5 59.7 23.7 0.1 58.7 37.1 18.5 104.9 5 861.3 25.6 177.4 34.9 25 44.8 936.4 43.9 77.3 78.3 97.5 177.2 42.7 131.6 193.6 176.6 33.2 101.5 124 39.7 31.1 123.4 85.3 220 41.9 75.7 100.3 137.7 0.2 3.2 Ascorbate 110.8 282.8 3207.5 7.1 33.4 275.5 820.8 175.4 102.5 113.2 29 120.1 70.8 783.6 91.1 284.4 66.4 209.2 1.4 6596.8 3190.3 513.6 60.4 80.7 164.2 2.5 343.5 558.5 252.9 155.2 2122.2 64.6 1.2 2754.3 327.9 37.2 122 254.9 112.8 12.3 122.3 145.5 282.9 576.8 52.4 131.8 11.5 339.5 493.7 108.3 56.1 367.3 670.4 12.2 61 542.5 27.2 616.2 10 116.7 180.1 55.5 202.6 0.4 6160.1 49.3 118 0.3 503.1 0.1 3078.1 29.9 299.1 179.5 118.3 315.6 133.5 83.9 24.5 0.4 26.6 38.7 2053.2 55 3.6 137.4 6357.1 237.6 97.2 22.7 296.4 22.2 18.6 132.3 261.2 498.7 390.2 1.9 92 2393.2 197.5 761.2 126.1 242.8 159.3 0.1 93.3 2.2 389.8 95.9 40.4 350.5 93.2 689.9 1402.5 160.2 277.2 51.8 155.4 Asparagine 13 154.3 161.7 34.5 305.9 17.4 4 6.7 13.9 41.1 13.4 75.2 12.7 49.3 10.9 73.2 4.5 14.8 97.6 194.3 80.8 13.5 0.1 31 0.2 13 13 204.5 35.2 92.1 49.5 11.8 80.9 14.2 13.1 21.4 0.5 3.9 32.6 13.6 12.4 14.9 86 12.3 28.7 45.6 36.8 14.3 14 9.7 241.5 73.9 45 59.1 13.1 13.4 14 105.1 68.6 17.2 12.3 34 13.1 2.7 12.8 161.3 21.9 48.3 13.9 53.1 120.9 15.4 12.6 13.4 16.8 21.3 173.7 75.2 40.6 21.7 80.7 11.5 17 79.6 13.6 111.9 39.8 14.5 36.4 14.8 12.4 38.6 15.5 9.6 12.8 111.5 31.3 62.5 39.2 41.2 150.5 21.8 14 19.8 13.8 14.7 15.3 13.7 93.3 46.1 23.8 15 126.6 12.2 13.1 21.6 60.4 82.8 15.7 11.2 92.3 16.6 12 143.6 13.3 12.1 11.8 Azelate 33.7 403.3 21.7 31 12.2 141.4 41.9 13.9 150.5 39.2 27.9 121.2 72.6 52.7 48.6 32.7 72.6 5.3 32.9 169.9 224.2 271.4 41.7 252.7 150.8 194.4 6.5 40.2 27.1 21.1 175.7 35.9 29.2 49.4 132.2 50.4 35 167.4 84 202.1 24.5 16.8 79.6 13 70.3 35.9 184 76.3 62.9 82.9 59 15.8 5.2 32.1 37.3 9.6 231 124 67.7 55.6 5.5 114.4 114.9 39.8 4.6 17.8 57.6 8.7 54 72.6 16.8 84.1 40 101.4 77 48 54 51.4 154.5 68.2 48.7 32 7.4 28.7 17.7 161.7 125 182.8 76.1 165.8 36.6 28.5 78.7 33.2 375.8 72.1 48.2 25.1 46.6 38 190.3 21.2 50.3 31.5 520.7 87.1 88.3 23.6 33.1 61.2 1026.5 65 19.5 7.2 45 21.1 119 39.4 105.2 107 40 32.4 36.2 53.6 172.8 37 29.9 39.7 174.5 57.1 111.2 19.5 25.2 201.5 90.5 45.7 248.4 39.1 4.3 35.5 Betaine 352.3 11.7 947.7 60.5 327.2 362.5 1039.9 31 924.5 166.5 102.7 100.9 206.4 75.1 156.7 70.2 20.4 23.2 372.1 140.1 494 178 59.8 179.7 1079.7 44.6 242.4 128.9 131.5 511 36.7 105.7 41.4 226.1 368.3 110.9 1423.5 203.2 101.1 9.8 165.9 61.7 106.6 147 296.9 221.4 32.4 1632.5 13.1 10 149.5 155.4 1048.6 677.8 128.4 306.3 718.1 137.2 330 149 33.2 521.4 31.4 161.6 418.8 306.6 77 211.6 147.4 340.2 118.3 166 297.2 282.7 348.3 72.1 106.2 153.7 192.7 103.8 134 698.1 77.6 276.4 161.6 81.6 169.1 131.9 1211.6 147.4 677.4 260 179.7 190.1 103.4 186 142.2 299.4 55.4 96.9 1093.9 57.7 15.9 374 117.6 178.1 360.6 81 375.8 348.5 76.9 316 136.6 35.5 940.5 226.1 21.3 40.7 193.9 245 117.1 240.3 76.6 734.3 141.9 48.8 239.4 20 174.3 168.1 349.2 551.7 36.1 15.4 166.1 Butanone 34.7 66.1 185.6 14.7 23.3 52.9 44 10.3 101.7 20.6 36.8 24.5 76 26.6 7.7 31.2 5.9 33.8 113.2 33.5 76.4 38.6 160.4 83.2 85.8 29.8 36.4 38.8 49 46.3 66.1 21.6 30.8 176.1 52.5 34.5 82.2 63.8 72.6 65.4 6.4 33.1 0.5 39.2 33.8 71.2 72.8 235.4 19.2 41.2 8.6 9.3 40.1 34.9 26 103.3 61.6 19.9 39.9 5 86.2 116.4 33.7 13.9 136.1 160.1 17.9 19.1 27 14.3 27.1 36.1 43.5 92.4 49.2 22.2 16.1 128.9 65.2 29.6 11.3 27.7 64.4 19.2 167.3 45.5 119.6 20.1 130.9 30.7 19.1 113.1 41.6 104.8 51.6 27.9 19.3 31.6 23.2 77.2 25.6 20.8 10.8 157.4 55.2 34.3 16.7 35.5 16.7 913.9 141.6 18.2 40 120.5 29.8 69.8 26.9 42.6 19.6 42.1 25.3 10.2 37.7 220.6 34 10.6 55.9 155.5 14.3 58.8 19.1 36.2 71.9 31.4 33.3 224.5 18.2 4.7 33.5 Caffeine 33.8 50.9 124.3 28.8 87.3 100.6 78 40 23.1 20.2 27.5 42.2 44.7 39 51.7 73.7 28.1 22.8 46.3 62.1 8 51 5.8 134.3 145.3 95.4 89.7 32.5 99.1 72.2 53.6 54.6 37.9 89.8 36.5 50.3 31.4 104.2 146.4 97.2 77 1.8 3.1 18.4 90.3 16.9 29 6.4 23.1 65.9 64.2 25.5 17.4 31 36.8 24.8 39.4 194 25 72.7 95.5 57 64.2 25.3 45.2 119.5 36.3 25.3 57.6 71.3 31.7 22.8 22.7 34.4 12.3 55.4 50.8 63.9 28.9 8.1 33 33.9 30.7 30.6 52.1 40.1 78.4 37.7 204.3 29.3 34.2 92.5 35.6 36.3 33.9 79.8 123.6 37.7 16.9 25.5 0.8 26.9 18.2 65.5 45.7 21.9 30.4 32.8 34 98 17.8 44.4 15.6 49.6 13.3 57.4 27.1 63.5 55 49.3 67 64.9 83.8 10.9 29.8 59.2 154.1 23 33.7 43.4 59.8 29.5 70.5 39.5 74.7 24.9 25.1 21.2 Carnitine 69.9 80 80.1 84.7 96.1 1.1 444 41.7 14.7 81.6 32.3 7.9 124.1 7 21.6 85.2 169.2 1.3 252 359.5 259.1 718.2 39.5 13.2 0.2 90.4 15.4 4.1 36.8 37.8 270.8 28.9 119 46.5 10 23.9 113 3.9 155.1 34.7 545.7 21.7 0.1 19.5 746 0.5 17.2 71.7 107.4 49.9 1.3 102.2 36 58.2 66.1 77.9 119 68.9 57.7 416.2 56.3 97.2 0.7 87.6 7.5 13 33.6 58.4 56.4 51 62.2 330.2 182.6 6.1 116.3 64.9 25.8 116.3 49.3 18.8 0.1 27.4 121.2 14.2 0.4 24.8 84.9 0.2 238.6 12.6 62.1 0.1 12.1 0.6 18.2 0.2 59.4 94.2 121.9 103.3 19.8 94.6 41.3 19 144.3 15 34.3 94.2 32 16.2 25.2 54.4 36.4 80.6 50.2 13.6 14 78 Carnosine 47.7 226.8 129.5 67 116.2 110.9 231.5 50 98.2 259.3 192.5 24.8 135.4 40.6 227.5 115.5 314.9 12.8 184.5 112.3 57.8 24 237.2 275.9 137.8 182.3 173.5 169.9 326 332.5 185.7 279.3 147 252.7 16.7 185.3 353.1 70.3 303.6 139.6 13.9 114.6 63 189.4 451.3 49.4 33.5 57.6 217 36.5 30.4 160.5 183.2 41.3 208.6 121.9 105.4 252.6 34.6 120.1 255.9 202.1 75 129.6 76.9 58.6 96.5 138.3 28.4 143.2 147.7 429.2 172.1 210.4 262.8 83.9 810.1 22.7 26.5 196.8 220.2 80.2 64.6 268.1 59 184.8 167.3 104 195.5 53.1 185.7 124.5 220.2 203.5 117.5 41.3 47.7 184.4 136.2 116.3 80.8 58.7 673.4 91.7 103.7 179.6 69.4 153.7 253.1 89.5 158.7 80.3 190.6 76.4 191.6 59.8 105.2 90.5 59.5 127.2 380.4 66.6 197.9 126.5 257.8 192.5 106.3 12.5 37.3 45.4 107.4 191.4 109 43.4 213.5 Chlorogenate 7.9 46.2 40.9 11 40.7 19.3 10 21 26.9 7.2 16.2 5.4 11.5 5.9 18.8 9.5 23.1 5.5 8.4 8.3 15.8 89.5 4.9 20.9 18.8 11.4 5.6 8.9 23.2 39.7 44.2 12.4 16 11.7 14.6 7 9 31.2 61.4 19.2 20.5 6.9 10.7 44.8 6.6 7 7.8 6.7 8.4 4.4 20.3 8.6 9.6 7.3 7.8 17.4 13.7 15.4 8.3 19.2 12.2 28.1 23.6 10.3 5.3 9.9 34.2 6.5 8.8 10.6 8.3 14.9 7.2 58.2 191.7 19.5 31.5 14.3 16.6 10 5.2 5.7 7.7 6.6 4.4 63.8 20.7 13.6 11.4 46.8 5.2 21.1 10.8 31.5 16 7.7 15.9 6.2 25.2 9.7 19.2 8.1 17.3 13.2 11.6 10.8 8.9 4.8 45.1 16.2 8.2 13.4 17 22.4 29.9 9.8 25.5 18.8 8.7 19.7 4.1 46 37.2 6.2 13.9 22.5 10.1 14.3 16.9 13.4 23.7 15.2 11.5 32.7 8.7 4.2 7.9 Choline 119.1 45.4 79.4 34.8 38.4 9.2 433.4 10 76.6 127.9 24.8 63.4 28.4 21.2 76.7 39.4 48.9 40.1 25.4 154.1 85.8 200.9 19.8 454.1 30.8 175.5 11.6 127.3 67.3 64.3 48.8 60.1 14.2 61 105.7 106.7 85.4 46.7 157.1 21.5 0.6 1.7 6.5 57.6 97.2 88 2.2 7.8 55.6 104.7 0.4 8 21.7 39 37.3 107 26.7 12.7 107.6 38.9 53.5 98.1 104.9 20.5 129.6 124.9 22 85.9 39.4 5 86.3 97 299.9 16.3 40 23.5 34.4 24.4 17.5 7.8 97.2 27.7 29.6 10.3 162.2 80.5 106.8 15.5 84.4 37.2 13.1 119.3 22.9 149.2 99.7 1.5 67.2 15.8 119.1 55.7 0.3 27.6 45.6 204.2 230.8 69.3 21.7 24 32.2 125.5 27.8 72.8 27.2 13.5 113 45.5 25.3 74.6 43.8 25.4 26.9 99.7 36.2 124.1 37.9 47.8 37.4 32.7 21.7 155.9 49.4 77 185.6 4.2 8.9 51 Citrate 631.6 5354.5 1230.8 1679.3 2035.5 2578 549.5 675.8 1978.1 601.5 2698.3 4204.6 1665.2 1829.8 6638.9 1002.9 3904.7 1092.9 555.9 3099.9 443.9 16673.9 1103.9 1758.7 6916.2 2662 1522.3 566.3 1694.4 2053.7 2606.8 6819.3 1108.8 455.1 9322.6 1201.4 647.5 3878.5 8462 193.7 1724.2 669.1 1157.4 49.9 9541.8 595.7 3285.8 62.6 5492.3 3739.4 5035.1 1063.6 827.6 1209.9 496.6 2666.9 8568.7 2234.8 3160.2 11271.4 3434.4 5154.4 5159.9 566.5 1158.7 555.2 3448.4 1733.5 1572.2 2284.3 842 127.1 568.8 5515.4 3055.3 2709.1 2213 2192 6557.4 2155.8 2562.5 608.7 1700.7 3813.3 1362 12792.2 1707.8 69.8 1302.3 11523.4 553.4 615 12799.5 4995.5 5755.5 2509.8 432.2 1464.5 1836.2 567.4 4813.4 2161.9 2290.5 807 2043.5 731.2 4677.2 2670.1 570.2 1113.6 1216.8 4712.9 1454 2123.4 6107.7 2534.7 5462 565.5 2830.8 5528.2 482.4 1726.1 1671.7 1950.9 12138.8 267.6 603.1 3223 5817.8 2597.2 844.9 1220.2 1883.3 3808.3 3756.1 631.2 12557.7 2307.2 461.2 606.7 Creatine 403.7 109.3 382.8 9.7 278.7 7 44.2 1.5 254.1 74.3 89.3 130.5 233.2 38.8 213.4 95.3 187.1 228.7 199.9 791.8 121.5 96.8 103.4 167.8 44.6 442 96 698.3 737.8 348.1 131.9 111.4 269.6 1058.4 383.1 466.9 31.3 18.7 202.9 223.6 447.9 90.8 1281.1 115.4 190.3 251.7 752.5 51.9 37.1 132.2 33.3 73.6 1000.7 269.2 156.3 685.8 154 79.8 180.7 108.6 308.5 222 345.3 134.8 56.5 39.5 68.4 223.3 549.6 74.2 338.6 382.3 438.1 123.1 294.6 119.2 317 575.6 241.1 163.9 542.7 137.8 113.8 75.9 214.6 422.4 58.8 295.1 98.9 244.9 538.1 329.5 327.5 55.9 203.4 621.9 393 254.4 974.3 907 1501.4 71.8 84 127.9 112.7 43.3 183.9 27.2 190.1 359.5 428.3 189.9 487.9 166.3 151.5 88.2 603.3 136.3 169.5 93.3 3749.4 2736.5 295.2 73.6 131.7 58.3 49.9 428.5 145.2 72.5 109.8 431.3 Creatine phosphate 47.4 38.6 99.2 223.6 110.9 56.3 0.1 374.3 64.6 71.7 82.1 51.4 75.4 20.2 1107.3 34.5 461.3 157.8 210.4 18.5 1579.9 75.6 96.7 76.6 179.5 96.4 132.5 1168.8 97.1 488.7 114.9 311.8 496.1 35.3 28.8 282 52.9 26.1 213.6 165.1 506.8 567.1 182 105.2 343.8 5.4 123.5 104 755.6 1379.2 174.3 692.8 139.8 449.1 114.8 515.1 56.8 282.6 116.4 99.7 46 254 28.9 476.1 524.4 227.5 384.5 112 419.6 61.1 59 726.8 577.8 430.7 298.5 1140.7 782.6 209.6 116.6 1108.5 559.4 192.9 629.3 330.1 201.4 274.3 456.9 101.6 138.8 334.5 1507.5 80.5 76.6 1340.3 831.4 1771.3 691.1 50.5 603.2 285.9 485.9 219.8 122 145.8 259.1 132.7 362.3 78.3 179.1 130.4 112.9 275.2 209.9 147.6 444 328.7 190.7 265 111.9 586.7 220.1 146.4 763.7 52.9 194.3 569.7 Creatinine 8029.5 16744.8 12939.2 4562.6 12562.3 8484.2 13681.8 2665 6864.3 7915.5 10740.2 10176.8 11410.2 5353.5 15850.5 3227.2 11029.1 4778 7700.8 7829.2 13161.3 32822.4 1586.9 21404.9 16769.1 5812.6 5714.2 8311.1 10818.2 15633.2 16297.2 13531.2 10157.8 8147.9 18262.6 4658.9 7895.5 13237.9 21764.9 13707.2 9617 988 6953 1731.1 7285.3 7905.6 20893.1 4576.2 4206.3 5938.8 12229.8 2967.2 2661.3 5029.4 8129.4 2934.2 18680.3 8392.6 4228 26887.7 6615.7 8953.5 18295.2 7810.7 3026.7 7779.9 18778.9 2317 9250.2 10062.3 3108 7651.4 7541.9 33766.6 5164 7556.3 9433.9 8012.4 9389.1 7149.8 3691.5 7651.5 7452 7562.2 6983.5 20572.1 14990.3 12143 7543.7 28452.8 7323.5 4760.1 20721.1 8697.7 13250.5 8776.1 7400.8 9213.8 5270.9 7556.8 11723 6316.9 5729.8 2659.3 26455.5 10748.3 15178.6 4502 8100.5 4613.1 30214 9121.6 5380.3 8512.3 13814.8 9447.7 21172 7524.2 7616.4 12343.7 10175.9 5655.8 3838.1 7205 22073.2 5029.9 7823.2 7251.9 16951.4 6999.8 10828.7 3707.3 6526.5 11911.5 8167.4 7846.5 16692.9 2753.6 2042.7 7687.8 Dimethylamine 91.3 775.4 464.5 112.2 390.7 107 533.1 129.8 11.4 247.5 360.5 365.5 344.9 224.7 515.7 191.5 136.4 127 252.9 298.1 417.4 999.2 84.6 388.9 749.9 266.1 252.4 264.4 271.9 443.4 581.8 490.3 18 206.5 459 173.1 261 570.3 814.2 903.2 485.2 37.7 209.6 102.8 317.6 238.4 663.3 219.4 171 429.6 582 59 75.7 203.4 259 99.2 824.9 344.5 250.4 539.9 219.4 433.5 358.7 212.3 111.1 470.9 684.2 83.5 296.2 311.9 49.1 348.8 234.6 799.8 286.1 334.9 221.8 260.8 45.7 243.5 19.3 249.2 315.3 288 191.7 780 471.5 945.3 229.2 549.1 237.6 23 664.5 337.4 492.8 300.4 200 9.6 211.7 245.6 510.2 227.8 186.9 93.2 410.5 326.7 524.3 64.1 115 104.9 1547.1 408.5 153.2 324.9 307 39 381 70.9 270.5 51.3 338.7 178.8 172.6 546.5 535.8 175.6 256.1 265.9 463.4 323.2 315.4 139.1 235.9 230.2 260.8 257.6 744.1 35.5 71.9 251.5 Ethanol 98.1 563.5 512.4 67.6 197.8 128.8 157 61.6 0.2 107.8 153.3 131.9 106.1 109.2 143.4 451.8 248.6 11.3 103.8 287.5 194.1 654.3 57.3 455.2 373.9 70.9 199.8 237.6 306.2 249.8 139.1 76.8 277.3 97.5 163 206.4 164.2 358.8 36.4 45.9 778.1 147.6 165.6 145.1 332.4 42.4 348.2 135.7 17082.2 18.7 52.5 102.8 106.7 81.9 611.9 864.5 158.1 274.4 120.8 230.1 312.1 99 47.6 229.8 239.2 55.1 101.8 113 84.1 356.4 93.9 255.7 182.7 138.4 230.5 124.6 352.9 271.3 46.3 99.9 121.7 157.2 95.4 314.2 162.8 236 90.5 319.8 90.2 104.4 0.2 172.8 257.9 155.3 72.9 110.3 88.9 86.1 131.4 4037.5 93.2 16.9 728.7 208 182.5 320.9 111.9 110 927.7 179.1 136.6 196.4 131.5 105 302.9 102.3 172.8 286 164.8 292 88.1 270.2 244.7 323.3 100.7 106.4 98 203.5 363.7 91.6 87.7 244.4 812 96 624.6 99.4 35.9 95.9 Ethanolamine 372.1 520.6 263.2 575.6 229.6 231.2 8.8 354.3 328 459 289.6 503.3 380.8 654.4 257 575.7 135.6 332.8 488.6 984.2 1212.4 74.8 919.2 2.5 120.9 378.8 183.8 548.6 2093.8 456.4 154.1 727.6 423.7 452.4 561.5 8.7 27.9 29.7 2.1 421.6 455.2 740.8 191.5 111.9 343.8 657.7 150.5 223.8 441.4 159.8 1186.3 487.6 706.2 455.1 301.2 198 411.2 177.5 409.6 220 127.6 474.2 595.8 102.6 12.2 393.2 1534.3 175.2 382 421 225.4 642.7 292.9 191.6 423.4 440.2 158.1 93.8 962.6 660.9 417.5 329.3 1053.4 254.7 201.2 1229.5 449.6 640 552.6 295.7 158.8 343.6 350.4 424 334.5 204.8 1264.2 713.6 687 156.9 426.8 227.1 5732.7 404.1 135.8 393.8 327.9 401.1 632 374.8 119.9 653 498.8 174.8 406.9 866.9 255.1 463.8 1078.7 898.9 423.7 438.7 230.5 200.1 368.1 337.3 449.8 24.6 145 402.2 Formate 148.2 306.7 197.6 134.8 190.7 90.3 97.9 55.8 129.4 108.8 250.3 172.7 204.4 151.3 211.2 3337.3 111.7 104.6 133.9 313.6 232.2 177.3 9.6 183.6 74.5 481.3 80.7 136.6 187 163.5 309.6 202 159 56.7 103 294.1 128.1 152.3 394.9 64.9 88.8 27.6 62.7 31.2 185.1 128.9 219.3 30 33.6 222.5 87.8 71.3 62.6 215.9 147.3 52.6 319.8 334.5 106.8 307.8 202.8 66.5 166.7 126.3 77.6 143.1 321.3 107.3 88.4 185.8 154.1 62.7 98.1 208.9 268.5 153.6 114.3 100.4 116.5 88.2 153.7 112.3 101 94.3 130.5 802.6 185 83.6 219.6 112.8 104 52 217 74.7 277.3 125.4 64 81.4 137.3 128.5 112.6 213.3 134.8 64.5 339.9 204.7 173 71.8 189.5 177.8 656 90.7 111.4 140.8 80.9 159 132.7 113.4 85.7 304 430.4 16.4 62.7 309.2 134 84.1 97.6 200.6 203.6 400.7 114.5 111.5 198.5 124.3 272.7 95.3 407.5 43.4 43.3 92.1 Fructose 562.4 1292.2 6413.9 130.6 759.9 689.4 1193.1 179.3 505.1 534.5 442 441.9 499.4 348.1 615.1 718.2 409 267.5 517.2 596.4 1681.8 898.3 45.2 4973.4 1682.8 519.7 482.4 581.4 995.5 667.9 657.3 375.9 709.8 299.6 672.9 534.8 619.7 863.2 2137.2 2167.5 838.1 40.2 228.3 113.6 633.5 542.6 938.1 509.1 225.9 369.8 1905.2 272.9 119.1 237 593.4 265.3 996.9 1074.9 733.7 999.5 348.6 450.9 574.8 706 289.7 819.6 471.4 175.1 385.1 591.2 375.4 492.1 450.3 1137.5 928.3 456.7 520.1 660.3 905.7 426.6 370.4 711.7 633.6 716.4 287.7 3295 717.2 891.1 413.7 1271 593.2 600 816.4 421 1411.9 678.5 580.6 2010.8 413.9 591.1 1142.3 441.7 284.4 190.8 2709.7 6026.8 608.6 242.6 277.1 238 1854.5 892.7 236.9 476.8 865.1 913.9 608.6 519.7 355 1297.8 506.5 779.9 512.2 506.6 787.9 217.3 411.5 245.4 2455.7 486.5 339.2 389.3 268.8 569.1 724 745.1 1552.5 179 77 709.1 Fumarate 0.3 4.6 26.7 1 2.3 0.4 18 30.6 2.1 5.2 4.7 2.7 24.4 0.6 1.5 0.5 9 1.9 26.2 9.7 25.3 22.6 15.1 1.4 2.1 10.3 7.5 0.2 12.7 45.5 23 6.5 1.4 14.7 2.6 4.6 24.1 10.5 47.5 0.4 1.7 1 3.9 7.8 73.9 40.5 1.8 2.3 13.1 15.3 2.4 2.6 18.7 1.9 0.3 0.6 3.7 11.7 0.5 3.1 5.1 14.7 3.5 9.7 1.2 9.4 0.6 10.7 5.3 23.6 9.4 65.5 7.4 5 5.4 2.4 3.9 13 1.9 0.6 0.7 13.8 1 7.5 5.1 2.4 6.7 9.5 6.2 0.5 11.1 9.1 12.5 2.8 2.9 6.1 0.8 0.6 6.5 11.8 1.9 1.5 2.8 8.5 3.9 24.2 1 1.2 82.9 8.2 1.2 0.6 Gabapentin 102.6 604.3 19.7 36.2 70.4 12202.2 156.6 23.7 230.1 119.1 52.5 55.3 183.7 28.8 122.9 70 206.6 39.6 77.6 404.4 238.1 218.2 28.7 142.1 55.8 453.1 45.6 117 217.4 133.3 204.9 292.5 108.4 45.6 174.3 186.1 61.6 169.5 251.8 175.4 118.8 18.1 745.4 32.1 179.4 34.9 317.5 82.9 97.3 192.7 12.2 42.4 2.7 2.5 12.5 179.2 67.3 131.6 304.2 60.8 43.6 171.5 123.2 105.8 202 207.2 24.7 386.8 214.3 51.7 36.6 88.2 422.8 95.9 186.1 84.1 142.4 56 50.2 2.2 48.6 61.7 79.2 190.7 644.3 53.5 144.7 4056.7 286.1 124.7 54.8 602 93.7 484.6 69.6 70.7 16 5 118.1 131.4 177.5 55.6 141 156.8 185.5 113.5 121.2 19704.1 13277.3 24 128.6 679.9 99.7 246 107.7 89.6 401.6 21.9 111.9 0.4 26.5 433.8 6.9 114.1 110.5 123.4 226.6 51.2 7.9 245.4 77.1 7.6 420.8 45.1 6.4 Galactarate 74.1 140.3 145.8 44.7 148.6 116.8 74.4 62.4 44 37.1 49 82 100.6 94.8 135.7 35.7 124.4 29.3 109.5 106.9 42.2 315.1 2.9 334.1 157.5 49.2 9.7 91.5 192.7 137 81.7 143.3 155.5 66.7 115 63.7 116.1 367.9 84.4 93.5 65.4 145.9 88 289.7 65.4 47.1 93.4 26.1 10.2 27.8 75.9 72.4 75.5 267.9 306.7 41.6 107 27.8 64.1 32.3 191.5 151.1 27.2 18 106 51.8 135.2 80.2 345.4 132.9 59.6 66.7 27.9 89.6 49 89.2 137.7 58.8 204.9 139.7 195.8 15.2 139.9 93.4 32.6 192.6 13.2 227.6 127.5 5.6 32.5 85 44.2 15.3 64.9 28.9 204.7 141 238.1 57.6 96.5 43.3 281.5 98.6 27.5 119.3 169.4 105.7 179.1 77.4 64.3 58.8 88.2 123.8 49.8 142.7 274.6 50.5 100 108.6 231.1 30.9 90.1 45.2 111.1 58.5 56 109.3 26.5 26.9 84.7 Galactose 200.4 1158.9 9435.5 141.6 612.1 864.8 243.2 180.5 1165.4 605.4 385.9 199.1 32.8 241.1 503.7 84.3 432.9 152.5 401.1 580.9 1050.5 723.8 113.8 1212 1977.9 2510.8 276.3 335.5 300.6 666.3 795.5 209.9 937.2 178.5 259.1 570.6 448.9 809.6 1246.1 693.1 672 1 299.7 11 535.4 284.2 1204.6 164.1 577.9 3066 148.5 168.6 316.3 453.9 628.4 759.3 647.2 790.5 284.4 611 106.6 333.2 211.5 382.2 237.9 74.5 331.2 188.1 288.2 214.9 507.8 989.1 460.6 280.6 379.6 497.5 482 126.2 14.7 496.3 259.1 288.4 366.3 1193.3 291.2 445.4 82.8 653.3 286.3 427.3 1286.6 291 472.3 327.7 122.2 0.1 189 348.4 530.7 178.4 177.4 201.5 2839.6 16077.3 764.9 207.7 199.3 254.4 522 68.6 273.9 331.8 372 564.8 689.3 246.6 285.3 972.6 470 1702.6 258.8 435.8 908.3 224.1 494 181.2 1188.3 372.8 558.2 313.1 272.7 228.3 429.4 470.2 457.3 84.6 119.2 472.6 Glucitol 195.6 1631.4 1155.3 159.8 490.4 1120.2 1288.8 166.1 249.6 182.3 336.4 332.1 393.3 203.2 1134.5 20 171.1 204.6 404.9 767.4 779.3 100.5 2785.3 646.9 824.8 441.8 317.1 422.2 696.8 226.8 551.3 327.9 385.6 460.2 317.3 333.3 647.3 1423.9 2497 1408.3 31.4 165.1 152.4 460 211.5 802.9 1555.1 95.9 485.9 3350.8 228.8 85.9 177.1 329.9 214.6 485.4 1097.1 373.7 494 305.1 247.1 791.4 304.8 193.2 778.1 883.1 108.3 419.8 410.4 205.5 867.8 225.8 396.3 1426 396.7 346.2 227 560.2 124.9 93 260.8 480.3 400.3 184.6 1289.2 320.1 458.1 563.6 779.2 330.3 380.5 359.5 296.7 776 414.3 370.2 87.8 329.1 407.5 907.5 263.8 177.1 113.9 1260.6 6371.7 444.3 150.2 275 15.6 967.8 587.7 159.5 190.5 603.5 395.6 429.1 246 240.8 486.1 271.3 1225.3 309.1 186.8 642.4 183.5 332 210.6 4738 348.9 377.5 174.3 108 351.5 659.9 195.4 633.9 132.6 97.7 264.4 Gluconate 474.5 590.9 6537.7 74.6 619.4 513.3 243.9 100.8 727.2 345.4 236.2 286.5 341.9 201.6 234.4 179 324.7 123.9 374.9 113.9 576.1 609.2 930.7 102.1 129.7 361.7 377.2 382.3 397.4 508 519.2 359.9 422.9 279.5 543.5 263.1 142.5 202.8 420.3 172.2 175.6 536.8 1346.4 142.3 439 964.8 199 179.7 222.4 466.2 101.9 946.6 725.5 168 778.9 243.3 582 32.8 326.1 211.2 518.9 361 68.8 209.3 235.8 152.3 444 581 403.2 336.9 449.3 187.4 459.6 319.6 87.2 524.7 516 281.4 169.5 789.4 571.1 396.3 208.7 1554.4 473.3 494 559.7 397.8 845.9 298.6 267.6 1225.2 144.8 420.9 566 82.1 266.7 157 1633.8 10448.2 496.9 38.2 212.3 123.8 831.1 99.3 222 204.7 357 607.4 239.7 326.3 226.5 920.3 219 473.6 221.8 370.5 1012 223.3 350.7 184.1 1047.1 209.4 161.9 150.1 102.9 615.6 349.1 422.8 1238.1 109.1 84.3 512.5 Glucose 170.9 798.6 2813.2 38.7 390.7 25 123.3 160844.7 102.8 99.1 474.6 213.3 354.1 343.7 261.2 190 185.2 12.7 0.2 987 1455.6 4190.4 721.4 12103 198.1 190.7 237.2 305.1 339.3 603.3 192.5 26.7 518.2 0.2 23 1578 723 646.8 15.9 51.7 64.5 401.1 134.6 1117.7 0.2 364.7 23353.2 169.8 177.5 128.3 277.2 23.1 740 1361.5 54.7 336.6 246.3 168.7 1113.2 131.8 79.5 686.1 675.8 114.6 2015 247.5 77.6 126.3 339.6 209.3 265 147.9 99.7 1.3 65.1 35.9 248 327.7 182.3 473.5 167.7 36 143.7 969.5 198.2 268.3 438.5 251.1 534.9 115.9 88.7 1448.7 4.9 144.9 680.2 89.2 0.5 857.1 2162.5 282.8 119.8 185.4 59 1011.2 484.7 108.2 411.1 452.9 342.4 117 93.2 418.4 296.2 192.9 180.8 304.7 460.4 1.5 105.7 1070.6 482.7 275.3 145.7 184.2 372.3 99.1 23.2 56.1 123.8 Glucose-6-phosphate 564.9 1215.6 3118.4 264.4 1036.3 1148.6 870.4 261.5 2501.6 668.4 428.7 599.4 341.2 296 504.9 352.9 102.9 193.5 583.9 411 1286.4 890.9 90.2 2439.7 2251.3 1583.7 1.7 715.6 1002.7 1163.7 489.9 647.2 292.6 1350.7 227 269 753.4 583 1986.8 2392.7 153 6.5 165.9 230.2 491.6 757.3 477.8 192.9 158.1 835.3 4920.9 79.2 270 285.8 958.3 320.2 2530.6 1601.4 578.1 811.4 537.8 397.3 392.3 747.1 183.9 1046.8 1162.8 192.3 621.3 168.9 300.1 394.3 790.9 314.3 261.4 631.6 495.7 504.9 475.4 285.2 99.4 842.3 458.4 442.3 216.2 1756 801.2 542 591.9 1068.9 730.7 1154.1 574.6 340.2 1620.8 760.7 1224.2 3287.1 201.9 542.3 782.8 317.5 301.1 162.1 1713.7 2736.2 448.9 186 711.3 104.6 981.2 489 267.2 636.5 275.6 873.8 585.6 586.3 224 550 645.5 664.8 168 477.2 805.8 180.9 823.5 265.9 650.4 442.4 452.9 245.9 206.6 202.1 1135.1 861.2 61.2 64.6 978.5 Glutamine 232 785.6 195.5 442.1 512.5 1691.1 164.6 639 178.6 411.6 366.3 667.7 162.6 460.5 43.1 383.7 135.9 234 634.1 413.1 448.2 64.2 1897.9 720.7 574.1 371.9 207.7 300.3 370.6 425.9 809.3 541.2 456.6 285.5 384.5 279.3 882.3 1255.1 411.6 30.2 346.7 23.4 381.3 238.6 628.2 77.8 132.6 330.3 573.4 24 97.6 226.8 231.3 208.9 1072.5 287.9 265.8 631.8 298.4 305.5 141.6 215.4 0.3 594.5 101 653.8 354 3.2 81.7 201.3 798.5 453.7 319.2 308.7 375.5 1046.1 158.1 186 235.6 368.6 123.6 263.2 1171.4 407.1 438.7 259.2 559.2 53.9 384.3 1094.8 297.7 583.5 18.1 442.7 425.4 432.5 42.8 93 216.6 114.1 1703.7 1020.6 483.4 91.8 239.9 292 1295 1397.9 113.9 326.9 199.3 590.4 408.6 248.7 295.3 565.6 486.7 100.7 233.7 736.7 200 193.3 1570.3 347.2 372.9 403.5 316.8 491.3 360.3 221 846.3 74.4 63 172.5 Glycine 253.1 2965.9 12076.8 511.6 824.3 731.5 209.9 3.7 1202.9 206.8 455 1100.3 544.1 398.5 421.7 182.8 876.6 528.7 133.6 1324.3 2202.4 886.7 97.9 710.7 1648.7 792.2 312.6 309.5 310 1025 625.3 1909 238.5 78.7 901.2 1422.8 228.3 511.8 791.9 251.5 141.6 532.7 93.6 1601.6 295.6 755.8 268 826.1 2374.4 238.6 293.3 330.1 182.3 2039.7 432.4 586.5 1600.3 1028.3 647.3 344.2 211.7 269 356.5 538.7 358.1 675.7 643.1 139.2 291.5 301.9 1380.2 321.4 114.9 287 669.3 972.1 209.7 522.7 246.2 333.3 1393.5 462.1 2532 487.8 261.3 473.6 682 184 296.4 3194.4 447.2 1456.1 565.4 198.4 1469.1 293.1 296.1 427 297.3 438.7 267.6 3691.8 15297.4 1027.5 392.2 308.5 1558.2 1054.3 292.7 542.6 265.2 172.2 337.1 277 302.1 443.4 423.3 7.3 421.9 570.8 1143.7 168.6 278.6 362.1 2231.2 724.3 802.1 474.2 356.1 587.2 669.4 109.4 2480.1 171.9 133.3 165.4 Glycolate 115.9 490.2 612.3 309.8 580.5 169.5 287.3 178.2 137.9 382.8 95.8 221.2 195.1 66.4 483.5 142 308.9 81.2 339.2 208.4 449.3 353.7 99.7 0.1 1168.6 88.6 145.5 388.9 525.1 282.4 377.1 53.3 139.3 317.4 311.4 148.2 153.5 107 135.1 22.7 1256.9 436.1 255.6 407.2 317.3 76.6 162.2 194.8 91.2 148.6 395.1 111 130.5 301.5 218.8 631.9 167.7 303.6 436.4 136.6 238.9 502 139.1 142.1 205.4 463.2 146 184.9 352.9 164.4 192.1 90.1 168.4 202.2 115.8 45.7 217.8 126.6 94.9 122.1 405.6 224.9 821.1 241.6 165.6 453.4 296.3 895.5 128.5 262.7 121.2 92.4 227.2 38.1 169 38.9 238.4 409.5 5168.5 695.9 68.6 52.4 154.6 646.2 116.9 148 411.8 27 163.4 176.3 275.7 51.3 197.2 135.9 207 201.7 564.3 124.2 235.3 70.5 142.9 407.2 431 27.8 201.2 180.5 696.7 209.3 223.1 81.1 109.6 278.7 Glycylproline 262.7 1416.5 1798.1 156.9 662.8 1148.2 1416.1 159.6 331 212.8 418.6 204.4 513.8 160.6 753.7 389.5 367.1 138.6 287.6 311.5 646.7 1018.1 142 2056.6 1262.3 880.6 426 295 315 893.5 951.3 529.9 439.2 449.2 349.4 365.6 301.3 1371.6 855.9 2432.1 288.9 25.6 243.4 147.6 222.8 241.8 1368.4 357 208.1 295.8 914.6 133.5 94.4 133.2 260.8 151.4 1597.7 920 364.1 325.5 211.3 311.2 642.9 238.9 225.2 1152.2 765 80.5 792.3 541.4 176.9 854.6 221.7 897 415.6 325.9 443.1 244.2 1237.6 275.1 129.7 213.7 375.3 192.2 181.8 1674.5 604.7 829.5 537.7 962.7 223.5 308.8 743.5 408.2 919.4 347.8 382.1 387.3 335.7 248.3 553.4 225.2 218.2 58.1 2138.8 694.1 801.1 196.7 237.5 110.5 2052.4 347.5 180.1 329.2 562.1 506.9 545.5 242.3 472.1 550.8 448.7 254.6 208.7 416.9 727.1 121.3 249.4 159.3 1706 342.6 298.7 444.4 212.2 566.4 328.6 240.8 962.1 148.8 111.6 263.1 Hippurate 3104.5 3168.2 689.4 632.1 507.3 933.1 823.5 1435.9 2154.9 3063.7 2488.8 1079.7 81.8 2271.2 1109.6 1726.2 205 161 3105.5 476.7 1111.6 2662.1 34.6 847.2 615 215.8 1273.8 3236.7 783.2 5663.4 1899.4 2762.6 258.1 271.5 2279.5 226.6 3206.8 1475.2 2007.6 469.9 1160.4 203.4 199.4 68.7 1025.2 3144.8 3197.8 624.4 329.5 1844.1 510.7 40.8 996.9 1333.8 3209 320.4 1159.6 16544.5 743.7 1440.9 1171.1 1135.7 214.8 3166.6 356.4 1236.3 1480.7 441.4 324.8 210.8 263.9 394.6 3055.9 323.4 1571.6 618.6 2202.3 2813.6 687.4 788.3 192.7 3139.5 2636.5 1467.6 1023.6 5147.7 1040.3 623.5 907.5 1723.3 3028.4 1216.5 311.2 640.5 7710.5 2227.8 263.9 293 650.2 3027.5 10125.8 1830.1 1481.2 432.7 12676.9 2445.8 2267.4 383.1 3061.7 345 2554 2041.5 188.3 3712.9 285.8 2507.3 818.7 2989.6 2358.2 2337.6 840 1389.2 994.9 605.4 1080.5 98.2 3036.2 582.6 266.2 1112.5 181.4 904 1517.1 1637.4 51.2 3194.8 7423 819 2308.2 3168.9 Histamine 94.5 601 531.3 55.2 121.4 163.6 145.3 72.3 201.6 105.4 148.6 223 196.6 76.2 127.3 83.5 165.2 107 142.7 301.6 19 237.4 479.6 164.1 119.1 57.9 445 201.9 230.9 189.8 257.9 146.9 104.6 67.5 82.8 562.3 155.1 443.2 103.3 10.8 33 55.9 54.9 83.5 250.2 37 15.6 96.3 336.4 14 40.7 113 175 686.9 161.2 57.7 220.5 48.8 54.5 523.3 161.1 44.7 338.9 489.4 103.4 128.3 313.2 87.7 151.8 140.2 478.7 180.7 67.8 80.7 49 39 30.6 91.4 122.5 112.7 65.9 107.1 142.2 109.1 321.9 188.5 78.2 106.7 406.5 50.1 399.3 99.7 116 376.2 90.2 157.2 248.8 138.5 90.8 34.2 180.2 387.9 128.3 25.4 85.9 2.5 82.9 81.3 337.1 53.8 310.4 105.1 77.5 53 195.9 81.5 19.4 69.8 233.4 169.6 55.9 89.1 75.6 308.4 70.1 78.2 95.4 54.1 145.4 142 92.7 541 64.7 47.2 155.6 Histidine 128.9 257.4 125 264.9 232.4 112.7 227 266.1 105.6 171.9 88.3 91.4 499.5 173.9 753.5 29.4 134.8 0.1 171.5 40.8 621.5 608.6 4.3 114 415.6 0.9 60.1 128.5 153.6 177.1 675.1 514.4 394.4 153.5 86.8 3.6 139.6 259.4 459.1 289.6 78.3 12.4 32.7 43 46.1 142.2 500.5 331.2 3.1 402 128.4 261 58.2 188.3 37.9 125.6 179.1 19.4 377.8 252.9 225 120.8 118.2 40.1 174.9 112 205.4 1100.8 572.1 96.6 212.4 157.7 391.9 166.9 183.7 95.9 123.2 82.9 16.7 21.1 163.6 75.1 162.1 28.7 523.7 613.8 145.7 96.9 181.6 164.9 194.2 151.1 46.4 385.2 331 157.9 359.8 105.7 159.4 186.5 39 174.2 224.1 180.3 547 34.5 137.4 1639 111.7 58.8 253.1 67.1 279 105.9 163.8 102.6 156.5 145.4 178 193.4 136.3 358.3 90.8 72.4 611.8 52.2 540.2 214.5 35.9 171.8 215.5 161.2 172.3 38.4 55.7 172.1 Homovanillate 0.6 288 112.7 29.9 73.3 220.5 347.1 34.5 37.6 43.2 21.1 61.2 62.9 31.4 60.9 90.1 60 23.7 39.6 35.9 34.6 77.1 5 264.5 96.8 546.5 26.2 41.2 89.7 113.7 114.5 66.2 109.3 75.6 48.9 0.1 43.1 153.2 209.4 92.1 4.6 87.1 15.8 27.9 43.3 108.1 143.3 19.5 98.8 194.2 5 29 47.3 31.9 9 164.4 117.4 75.2 21.5 18.1 65.3 27 27.6 127.3 101.5 20.9 148.4 38.7 21.9 36.4 59.2 162.2 38.6 57.4 38.3 127.6 20.8 31.9 21.6 63.9 39.1 7.1 136.7 139.1 102.3 140.8 72.4 36.1 37.2 102.6 27 170.5 65.3 58.5 26.9 60.6 40.4 48 29.7 30.1 16.4 95.9 93.9 95.7 14.3 34.8 33.8 139.8 190.5 32.9 78 94.8 47.2 29.1 39.1 30.5 52.5 54.6 90.2 78.7 60 15.2 34.4 33.5 96.8 91.9 20.4 40.4 66.3 70.8 20.4 36.1 171.2 17.6 21.4 35.8 Hypoxanthine 13.8 68 194.8 14 42.3 47 97.8 2.4 22 19.4 64.9 42.8 101.9 15.4 111.3 23.9 183.2 35 36.3 48.8 76.1 309.6 5.4 132.3 529.5 21.6 86.8 7.4 508.4 52 291.3 184.5 33.6 33.8 119.5 9.2 28.1 107.5 177 40.9 110 15.6 1.7 9.1 28.6 36.6 598.3 16.8 53.7 21 98.4 19.9 95.9 18.1 28.7 98.2 30.8 3.9 197.8 51.7 65.2 172.5 3.4 2.5 54.7 171.2 10.9 66.9 123.7 5.5 23.9 9.5 286.9 29.4 86.6 38.4 37.1 61.9 37 6.3 14.2 69 87.5 23.7 116.3 28.9 47.3 38.6 357.2 7.3 5.4 286.9 52.1 55 50.9 31.3 8.5 16 92 43.4 6.2 18.3 75.8 55.6 58.9 38.4 15.7 13.1 534.6 150.9 78.4 44.5 42.2 31 321.9 16.1 70.4 62.8 40.1 6.6 8.4 127.5 142.8 30.1 17.9 276.7 111.7 22.2 64.1 8.2 32.2 81.3 112.9 18.4 127 15.6 8.2 11 Ibuprofen 23.8 232.6 51.5 16.2 32.9 28.1 36.2 14 28.3 30.2 26.7 38.8 30.8 30 34.1 11.2 88.3 7.9 31.6 48.4 45.8 124.5 10 140.8 94.8 125.5 27.4 25.3 36.5 31.6 48.7 72.6 51.2 25.6 85.2 16.8 28.3 61.8 62.5 90.7 36.4 4.4 118.2 4.4 50.9 28.1 62.7 18.3 21.1 32 51.4 7.6 8.9 18.5 28.2 11.8 146.8 54.5 84.6 67 14.2 46.6 163.2 28.6 10.2 29.3 65.5 10.9 43.3 28.8 12.9 29.3 28 81.2 71.8 38.1 45.8 23.8 71.1 19.2 8.9 25.7 24.5 25.9 12.2 73.9 42.5 62.3 33 110 22.7 18.3 67.5 34.6 65.3 48.7 23.5 21.5 36.1 27.9 53.4 32.3 17.5 9.6 190.7 38.5 42.4 11.7 31.1 18.1 171.2 71.3 13.1 24.4 54.6 25.8 45.1 29.2 37.2 71.8 24.3 490.4 11.5 49.4 79 11.1 25.9 23.1 62.4 22.4 47.3 10.5 24.7 78.3 24 26.2 110.9 9.4 5.5 27.3 Indole-3-acetate 169.9 427.9 243.4 250.4 274.3 629 30.5 20.1 112.6 135.5 136.9 153.7 148 132.1 173.8 16.7 2.1 9.6 324.3 95.9 16.8 84.3 279.3 485.1 315.5 47.8 138.5 201 49.8 103.4 212.7 161.5 74.1 54.6 49.8 411.8 0.5 374.8 54.6 10 156.6 90.9 128.7 52.5 459 304.3 127.5 145.6 6.7 40.6 79.3 119.4 65.5 315.5 112.6 286.1 0.3 65.1 110 135.2 102.2 7.2 212.5 78 152.5 61.7 57.4 340.9 85.5 20 322.3 84.8 89.3 1 478.1 22.1 45.4 130 106 42.7 33.6 76 166 239.1 217.1 98.7 145.8 117.3 52.4 47.2 427.3 137.4 40.6 27.8 20.4 28.4 61.2 88.5 10.7 245.3 594.9 376.2 11.7 49 137 246.2 52.8 119.9 73.5 104.3 76.9 85.7 176.7 274.6 48.4 90.8 147.7 5.4 50.7 37.6 262.6 107.5 78.6 59.8 41.7 214.5 37 154 457.2 15.7 18.7 93.3 Indole-3-lactate 134.3 260 214 18.6 79.2 131.2 188.7 37.1 84.7 118.8 47.8 78 57.5 81.8 121.9 121.8 80.2 16 136.6 99 142.4 166.2 14.7 198.8 230.5 245.5 57.9 133.5 166.9 96.1 366.3 110.5 190.4 53.4 142.3 49.3 121 96 94.8 232.7 65.5 10.1 43.6 87 82 131.8 132.9 89.7 26.9 122.3 193 15.3 12 28.7 133.7 43.1 243.5 154.2 112.3 38.2 146.3 68 48.3 131.9 42 122.2 173.3 11.9 102.5 59.7 85.5 120.7 129.2 56.3 116.1 107 138.5 93.1 104.6 49.3 38.2 119.8 138.8 17.4 38.6 287.6 140.1 142.7 45.9 180.3 118.2 61.1 91.8 48.5 137.9 57.7 38.8 38.8 28.9 111.2 80.3 64.6 14.6 17.9 243.7 112.9 155.4 24.7 117 13.5 195.8 40.6 56.2 41.5 89.2 114.9 50.8 126.7 83.8 109.2 61.4 46.3 20.3 71.1 134.1 32.7 134.4 63.5 96.8 69 39 39.1 34.7 74.3 37.1 128.3 210.2 21.1 21.1 121.9 Isoleucine 9.9 88.2 46.2 9.2 20 1.6 19.3 6.2 29.1 13.9 11.6 21.6 19.6 10.1 18.7 8.6 19.3 5.2 11.6 25.5 32.7 84.3 3.7 91.6 73.2 35.8 15.4 13.2 34.8 29.8 45.7 35.3 23 71.8 17.7 13.5 16.8 41.4 104.9 22.2 6.3 2.3 16.1 10.8 76.9 4.6 22.3 16.2 54.6 6.1 7.6 7.4 12.4 10.4 93.2 35.9 15.1 31.9 14.1 14.6 87.5 15.1 0.1 9.3 40.1 36.5 24.4 15.8 10.5 71.2 42.2 17.3 19 16 48.7 20 7.7 10.5 12.1 20.6 10.3 54.3 21.4 55.5 10.5 87.9 10.3 10.9 70.4 16 33.4 12 13.6 2 10.2 9.4 2.4 171 32 22.5 10.6 12.7 19.1 157.5 27.7 8.5 8.4 37.1 21.1 27.3 12.9 31 21.5 8.4 7.5 8.2 10.1 58.6 10.3 10.8 7.8 56.8 19.6 34.4 9.6 12.1 49.2 8.7 14.2 153.6 12.3 3.9 13.6 Lactate 75.7 408.1 395.6 100.1 503.2 196.3 80 66.9 491.5 103.5 139.4 74.6 32.6 61 159.5 89 90.5 37.7 98.5 252.2 361.1 649.3 162.1 1225.3 371.6 290.4 87.1 96.1 87.1 62.3 157.2 76.3 80.5 51.5 85.6 158.4 106 116.3 362.2 328.4 60.9 21.6 522.5 58.3 92.5 104.1 142.6 88.1 186.5 183.9 523.2 37.5 71.2 93.1 102.8 45.3 215.4 261 118.5 229.9 40.7 239.9 232.9 79.7 66.4 149.7 125.9 119.7 241.5 161.4 29.5 133.4 102.7 198.1 84.4 106.7 196.7 145.3 77.2 88.1 47.8 61.2 41.4 105 117.2 227.8 94.2 110 126.7 193 71.1 70.2 558.5 61.3 361.3 155.3 78.8 91 105.2 97.3 72.1 103.7 96.5 264.2 650.7 130.3 262.2 50 111.8 192.7 840.7 215.4 67.4 155.2 109.7 131.5 255.8 101.8 80.2 53.2 160.5 68.7 38.6 170.2 169.7 76.1 105.4 141.6 220.4 99.9 119.8 34.7 81.8 193.9 124.9 95.6 207.2 39.9 62 94.3 Lactose 606.9 1127.2 2940.8 73 708.4 512.5 772.2 318.2 326.9 412.2 420.7 203.5 320.5 342.5 658.9 253.6 168.5 519.3 205 178.4 708.9 73.7 3131.7 666.7 748.7 333.6 343.9 414.5 743.9 706.1 224.7 18.2 491.9 364.7 209.6 189.6 997 2163.1 2101.3 870.4 30.2 178.5 30.5 153.4 257.9 763.7 190.6 0.4 391.4 921.9 165 59.8 400.5 735.9 795 531.9 328.4 134.7 299 506.8 399.6 269.1 754.7 891.1 84 260.1 287 212.3 491.1 340.3 551.7 855.8 39.2 466.3 79.1 652.9 14.3 219.4 378.8 439.4 217.1 2.1 662.9 340.6 299.3 290.8 769.4 380.3 338 610 117.8 883 0.5 403.5 609.2 333.9 207 323.8 302.1 158.4 34.1 1060.9 3230.2 389 245.2 402.9 0.1 1100.8 391.9 162.1 239.5 446.6 500.2 316.4 376.3 61.4 686 327.9 475.7 843.8 456.5 399.2 12.5 105.1 254.2 1944.2 977.1 263.2 259.5 316.2 482 866.4 318.7 451.3 60.2 114.5 324.4 Lactulose 451.5 799.1 1532.2 774.8 308.2 537.3 45 356.1 199.1 320.8 224.7 283.5 452.8 86.6 65 156.8 492.1 154.1 455.1 809.1 16.6 1751.5 1098.2 796.4 184.5 389.7 374.7 207.5 417.1 348.6 316.1 251.2 329.9 174.3 460.2 464.8 704 847 499 54.9 378.2 171.9 377.4 342.1 545.2 592.3 65.7 367.7 0.1 195.9 61.6 215.8 448.9 187.2 381.3 558.4 473.6 232.7 252.8 232.4 434.8 424.8 208 682.4 464.6 20.3 227.7 287.7 234.5 316 501.6 63.2 408.9 302.7 211.8 77 194.5 118.1 238.4 383.5 344.8 108.3 1206.6 362.6 422.7 238.4 1018.5 238.3 254.7 898.4 205.9 831.7 229.9 161 369.2 197.7 298.3 557.6 273.2 15.3 85.3 683.2 843.4 49.9 430.8 48.8 1293.9 314.9 106.7 262.3 511.1 491.6 514.9 390.8 297.8 951.4 103.5 265.6 277.5 389.5 430.1 2 384.4 217.9 217.4 326.3 111.6 3 202.8 341.1 411.1 857.1 118.6 40.5 258.3 Leucine 0.1 46 1.6 40.7 34 1.3 31.9 8 12.8 35 7 28.3 5.1 4.6 6.6 0.5 50.6 73.3 5.1 60.2 47 8.7 17.4 38.2 12.3 18.3 33.9 11.7 13.9 56.5 29.9 26 29.5 21 42.5 2.3 25.5 4 22.5 56 49.9 20.7 11.6 46.8 6 6.4 5 35.1 17.6 35.9 11.5 12.2 84.4 24.5 23.4 4.3 21.9 18.4 5.4 15.6 5.1 30.3 51 0.1 18.6 10.1 1.9 14.6 9 0.6 11.7 31.2 10 63.2 21.1 145.1 12.5 100 6.5 41.8 22.8 30.9 28.8 14 0.7 10.6 58.8 11.9 7.1 4.5 78 12.5 3.3 5.1 6.4 241.6 7.6 6.1 13.5 40.3 8.1 18.6 4.4 35.7 44.9 11.8 28 8.4 20.3 35.3 1.7 18.3 4.4 27.8 20.4 1.1 13 9.7 121.5 13.1 1.7 Lysine 20.2 199.6 28.5 50 28.1 23.4 377.7 53.4 0.9 20.3 37.3 150.2 32.4 7 2.6 151.2 92.4 68.9 11.1 66.9 21.6 38.5 4.1 43.1 109.7 85.6 23.1 38 39.1 32.3 191.8 27.9 1624.6 7.3 105.1 44.7 0.6 63.2 15.2 20.7 21.9 37.7 0.6 205 11 1.1 74 2 50.2 16 47.8 26.2 21.7 36.4 1.8 144.5 419.8 96.7 198.2 67.4 29.2 9.1 488.9 41.3 81.9 46.1 13.4 2.8 51.6 0.7 24.8 29.9 3504.4 9.7 517.2 258.2 175.8 1 0.4 28.6 13.2 47.1 0.8 55.6 31.9 12.6 1 67.9 158.7 60.4 10.8 398.6 190.4 57.8 24.2 1 2 12.3 27.2 Malonate 455.8 205.4 204.9 141.6 251 2023.8 359.9 914.3 179.8 127.4 51.2 230.1 48.9 539.2 47.2 205.6 266.9 237.2 514 283.2 768.9 27.8 709.8 354.1 438.6 23.1 541.8 418.6 563.2 641.8 309.9 172.2 2503.1 0.4 27945.1 483.4 224.3 267.1 354.7 471.6 18.5 262.8 52.6 153.2 484.9 212.8 342.5 70.3 341.9 716 129.7 133.8 154.2 163.4 104.2 798.2 1641.2 194.6 516.3 111.4 172.5 571.5 478.6 118.7 1017.4 577.4 58.4 381.8 252.6 96.3 226.5 120.3 290.5 275.3 151.5 91.2 111.8 102.8 149.1 27.4 465.1 132.5 65.6 53.7 446.6 291.3 220.6 200.6 676 425.7 1972.1 387.6 143.6 524.3 273.9 1925.2 357.2 178.4 431.5 319.3 210.5 117.1 130.4 489.3 206.8 378.6 107.5 463.1 176.3 998.4 311.6 90 88.7 278.8 155.9 784.6 444.8 78.7 2007.9 145.2 36 15.1 297.1 434.7 87.9 464.3 377.1 268.5 117.3 237.8 711.4 6780.8 7275.9 139.4 432.1 410.3 1928.3 24.6 432.2 Maltose 314 1399.8 2942.9 304.2 425.9 929.3 1158.7 187.4 3849.4 451.8 435.3 590.8 524.6 407 692.8 591.3 455.3 249.9 221.6 686.4 401.8 1010.9 85.8 2590.3 1231.2 2474.4 414 411.5 524.2 688.8 745.4 381.1 613.1 617.5 432.8 248 507.8 1467.7 1242.8 1446.4 115.9 24.5 140.6 130.8 555.3 406.8 1138.7 90.4 125.5 597.6 3062.9 174.1 301 36 375.8 638 1053.1 1440.5 347.9 277.5 310.6 463.6 455.8 436.8 538.1 1255.1 916.1 220.1 1251.9 432.5 295.9 1084.6 344.1 591.2 485.7 114.1 384.5 479 1110.5 261.1 365.8 435.1 673.7 252.7 269.9 2092.4 446.1 636 427 871.2 596.4 497 765.9 242.1 1181.2 563.9 556.4 2105.1 520 626.4 1046 576.9 388.3 206.5 1139.3 2720.9 917.3 247.3 458.7 336.1 617.3 513.2 229 295 659.5 632.1 716.8 593.1 242.1 947.3 234.7 520.8 570.3 534.2 1044.3 1.2 401.6 250.6 2855.2 269.9 170.7 610.6 372.8 109.4 879.4 393.7 1434.2 179.8 111 452.3 Mandelate 121.7 147.8 0.3 38.5 133.8 202.7 15.2 0.2 27.4 20.8 59.4 17.7 14.9 32.7 9 60.6 98.3 46.9 7.5 275.4 51.5 8 106.1 196.1 60.2 55.6 15.3 9 116.3 12.6 339.5 39 328.8 165.2 0.1 86.4 44 52.2 1.8 2.9 0.6 17.6 21.5 5.5 80.3 4.1 18.5 10.7 22.8 10.8 61.5 17.8 8.5 101.4 6 30.7 1249.7 11.6 52 0.1 22.3 17.2 137 11 0.2 10.3 2.2 2.2 9.6 4.1 12.3 10.8 0.4 0.2 15.7 49.6 1.5 78.5 30.4 1.8 1.6 34.4 29 20.8 53.9 0.9 8.3 3.3 500.5 7.2 9.3 8.2 89.9 1.7 3 30 21.6 4.8 2.3 405 22.4 51.5 45.3 16.5 7.5 9.7 8.3 0.7 Mannitol 8707.8 198.4 213.5 363.7 565.4 120 787.6 103.2 224.6 436.8 161.5 1563.9 193.6 4651.9 446 111 125.6 249.8 760.7 799.8 326.4 2538.8 793.5 452 146.9 196.1 492.9 238.1 443.9 740 769.5 381.7 406 196.2 83.7 210.9 1373.3 1180.3 1358.3 33.7 62.5 80.3 227.8 131 673.9 311.6 130.6 2936.5 1242.6 101.8 107.4 96.1 119.5 75 549.8 714.4 186.4 673.9 163.9 148.4 497.4 89.7 177.2 361.8 618 94.5 191.8 185.6 772 292.5 105.2 692.8 2825.9 132.7 86 343.1 610.9 89.3 1460.9 187.4 164 460.9 204.5 1217.3 235.2 284.8 212.1 39.9 137.7 182.8 628 135.7 1556.1 350.6 289.5 0.1 160.4 115.3 264.6 236.8 135.8 89.4 1135.2 3563.2 525.5 80.7 171.2 215 824.7 109.6 76.8 168.7 141 249 628.2 108.5 231.5 970.9 218.7 558.1 928.5 134 225.4 127.6 174.2 145.3 8918 563.3 1044.5 117.2 90.1 542.8 760.8 110.5 16.2 101.1 77.4 208.1 Methanol 8.8 108.4 18.7 67.7 30.2 484.3 0.1 91.2 247.3 115.2 152.4 10.5 259.5 152.6 181.7 8 75.9 74.1 36.5 134.3 171.2 32.5 38.8 6.6 19.9 0.3 46.4 27.2 151.1 194.9 383 72.7 317.8 175.4 72.4 47.2 25.7 111 50.7 9.3 12.1 229.2 4.4 273.2 61.9 248.4 119.6 58.6 17.2 22 23.6 31.7 61 4 327.1 813 7.9 184 31.7 125 130.1 100.2 46.6 45.9 85.2 28.1 13.8 133.1 28.5 90.6 81 205.4 108.3 1.1 174.2 26.8 46.1 53.5 59 68.8 36.4 158.8 35.7 71.7 519.2 39.9 311.6 6.4 385.4 46.7 59.1 33.1 291.2 302.5 42 143.1 60.8 106.5 117.6 65.4 87.6 117.8 29.6 89.1 0.2 204.9 6.9 8.7 51.2 27.3 141.5 53.1 84.6 97.8 434.4 512.7 15.2 34.4 128.5 79.2 62.5 67 81.6 198.8 4.8 89.2 78.5 28.2 596.2 38 15.1 4 39.8 27.5 87.6 Methionine 35.2 125.5 85.8 0.7 5.8 33.3 62.4 22.7 39.5 47.9 22 53.7 26.8 48.7 5.9 17.5 38.2 30.8 52.3 86.7 118.9 21.9 51.3 0.1 82.3 48.3 20.1 30.1 93.4 14 78.8 25.1 100.9 34.8 12.6 44.2 0.9 178.9 0.2 6.3 21.4 19.1 60.8 23.9 29.3 42.1 80.2 32.9 115.7 14.1 9.6 21.8 33.8 23.7 130.7 67 36.7 63 37.9 56.8 54.7 40.5 10.3 25.9 95.8 7.9 14.5 22.3 33.2 56.2 23 123.2 32.9 62 22 53.2 86.1 16.2 19.4 27.9 13.9 44.4 40.5 209.4 110.2 70.3 21.9 74.4 41.9 5.7 78 55.8 88 31.6 21.9 16.3 44.6 141.3 15.2 15.9 29.2 232.4 44.6 9.4 28 57.6 376 49 11.6 36.3 36.5 18.4 60.8 17.2 59.1 32 79.5 8.5 17.8 15.6 49.5 36.9 45.7 38.9 154 33.1 67.4 12.2 37.4 63.8 25.6 31.5 163.8 12.4 9.1 5.9 Methylguanidine 40.2 162 91.4 54.1 695.7 79 128.6 11.2 40.2 42.1 89.2 156 78 51.6 79.4 42 101.5 42.4 47.7 57.2 134 195.1 21.2 200.6 146.9 145.2 59.4 44.2 435.4 116.8 67.8 89.5 69.3 51.1 104.5 45.7 39.2 91.4 959.3 186.5 97.2 8.4 163 63.2 98.4 46.9 147.7 47.8 43.7 47.5 105.8 18.5 11.1 34.9 50.5 38.5 180.5 63.8 52.6 136.8 207.1 70.9 107.4 32.6 16.9 67 159.5 26 63.1 126.2 4.7 57.9 41.6 215.9 59.2 60.1 46 43.7 95.4 61.9 29.4 44.6 64.3 57.1 35.1 185.1 89.4 169.4 56.4 224.1 10 29.5 165.6 72.4 114.7 56.6 30.6 7.2 44.7 34 68.7 59.6 50.5 21.6 182.3 65.1 114.8 50.7 41.2 38.6 287.6 91.6 45.6 69.7 133.3 42.3 160.5 46.3 60.8 99.3 63.6 322.6 32.3 67.9 164.5 45.3 37 56.5 152 86 68.9 14.1 88.4 117.1 90.2 36.3 208.3 26 12.4 40.5 N_N-Dimethylglycine 16.8 28.3 99.3 19.2 23.7 11.8 26.7 17.4 122.5 29.3 55.9 28.4 27.1 21.6 44.1 16.1 39.1 9.5 16.2 35.2 41.2 96.6 16.6 56.2 50.4 49.2 14.3 30.3 46.4 64.2 47.8 66.2 33.1 29.4 52.2 20 28.1 22.8 213.7 40.4 75.8 2.5 53.2 6.8 19.4 7.8 49.1 16 30.2 13.4 75.5 7 12.3 19.1 15.5 14.7 191.9 27.8 58.1 41.8 77.3 23.8 52.6 30.7 13.3 23.2 50.2 7.2 73.9 30.8 16 20.1 11.1 83 23.5 53.4 10.2 72.6 20.4 11.8 8.1 13.9 15.8 17 14.4 36.7 41.2 40.1 29.5 44.8 27.3 30.7 79.4 24.8 41.7 49 25.4 36.7 13.7 30.7 45.5 23.3 16.9 17.3 70.5 46.3 28.9 13.9 12.2 200.6 51.2 11 37.5 34.7 27.4 23 23.4 21.5 39.5 117.3 14.2 194.8 32.9 55.5 9.9 24.8 32.1 58.6 47.7 26.5 9.4 13.6 33.9 43.1 14.9 39.9 7.9 11.7 19.2 N-Acetylglutamine 136.3 319.6 396 75.2 216.2 208.2 264.3 67.6 155.4 153.1 189.8 156.6 158.3 117.2 166.3 80.1 182.9 54.5 144.4 171.2 241.7 337.6 53.8 780.7 450.6 290.4 114.5 149.6 138.4 288.1 291.2 223.4 206.6 119.8 209.1 124.6 146 198.3 332 438.4 198.6 17.3 94.7 32.3 168.8 139.7 235 110.5 70.3 95.9 63.7 49.2 44.9 107.9 148.7 55.7 325.7 258.5 132.2 365.3 137.8 148.2 200.6 143.2 65.4 320.5 422.8 62.4 196.7 40.8 198.9 131.9 374 179 137 102.3 121.7 197.3 82.4 70.3 135.3 155.1 161.8 81.1 482.4 159.8 366.9 112.8 436.4 130 126.9 340.1 135.2 309.7 210.4 114.3 155.5 120.3 141.7 215.6 94.4 104.6 35.3 718.9 405.4 225.6 76 163 87.3 798.8 230.2 90.2 187.7 290 150.1 273.7 143.8 125.6 0.5 197 76.6 61.7 160.6 342.9 83.9 148.9 1.7 299.9 202.1 255.2 78.3 94.7 218.1 124.9 139.5 483.3 38.1 40.1 140.5 N-AcetylglutamineDerivative 384.5 3712.3 694.1 180.5 485.6 1139.8 1855.9 78.4 696.9 402.4 528.2 353.3 634.2 830 451.7 908.5 573.9 89.6 390.3 1168.6 1890.7 915.2 125.1 1276.7 819.1 1808.3 1442.6 380.3 756 3501.2 1213 340.4 1356 386.2 499.9 425.1 391.7 1281.6 542.5 850.7 253.2 47.4 405.4 358.5 162.6 380.2 1700.8 1010.2 113.3 737.6 1229.6 75.2 233.2 246.7 399.3 63.3 1243.1 855 1467.1 417.7 230.1 776 531.8 365.1 130.6 529.7 454.9 336.1 232.4 231.8 306.4 6317.1 379.5 578.4 2402.9 266.3 295.2 646.1 2647.7 202.6 337 386 425.5 191.4 569.6 1119.1 948.3 1153.2 171 926.4 380.9 549.2 540.1 206 1236.8 277.5 457.1 187.6 239.1 378.4 322.4 700.3 1008.9 73.1 2027.6 1497.3 1849.3 56.6 339.8 410 1055.6 927.5 334 279 272.7 371.2 229.8 368.7 235.5 2137 478.5 103 717 352.7 708.7 484 389 238.2 886.4 702 503.7 199.9 248.1 710.4 203.4 407.6 1134.4 142.4 217 387.5 N-Acetylornithine 28.6 285.6 277.9 26.3 75.8 56.1 148 31.2 59.4 31.7 42.8 32.2 98 41.3 157.8 20.2 85.9 30 30.9 75.1 165.3 302.7 23.3 748.7 183.2 53 59.4 34.9 126 140.5 160.4 168.6 42.6 20.1 78 53.9 35.9 180.4 331.3 373.5 33 12.9 58.3 28.3 99.1 40.2 246.7 37.4 2.8 40.8 213.8 21 49.6 121.7 31.5 43.9 290.2 217.5 102.4 278.7 62.2 80.6 36.3 37.6 12.7 222.9 154.8 28.7 195.6 96.9 18.7 52.5 30.5 228.2 195.1 35 66.9 19.5 100.5 32.1 22 33.6 55.2 48 80.8 584.3 161.6 86.1 141.4 455.7 31.4 63.7 360.5 63.3 266.8 35.2 23.6 19.3 32.3 34.8 52.7 4 33.3 30.9 514.2 20.3 185.8 35.5 27.2 90 742.4 33.7 33.4 55.9 83.8 86.8 104.8 33.3 63.5 84.3 83.2 62.2 64.2 48 135.7 73.5 28.1 30.4 402.1 33.7 148.1 41.2 32.9 148.1 46.8 31.1 140 17.2 21.4 35.3 N-Acetylserotonin 60 337.5 61.3 26.2 65.2 79.8 44.1 20.7 34.9 36.8 127.8 85.9 42.6 32 110.7 51 35.8 28.5 44.1 127.5 159 136.9 33.8 120.6 188.2 93.8 41.5 45.5 48.5 144.3 66.8 116.1 193 25.2 32.9 46.8 45.2 91 61 134.1 46.7 10.9 46.6 11.7 84.1 44.3 254.9 74.8 13.3 69.1 93.2 13.9 26.6 30.3 47.7 20.8 236.6 142.7 119.5 40.5 111.4 73.7 73 44.4 23.5 98.1 112.1 42.1 12.4 49.2 52.3 157.9 44.4 47.1 105.7 4.6 60.9 49.5 206 42.3 35.5 45.9 61.6 49.3 75.7 89.5 111.8 92.2 99.8 185 48.7 39.2 58 24.7 139.6 71.5 14.3 31.1 7.9 56.6 69.6 51.9 48.3 6.5 245.9 57.1 58.7 45.1 46.9 68.7 79.3 45.1 42.8 99.2 48.4 104.1 29.1 33.8 43.6 80.2 25.1 84.3 70.1 94.6 34.1 38.5 47.4 177.9 69.1 33.7 22.8 37.6 57.3 65 38.5 121.6 38.3 10.9 44.6 N-Acetyltyrosine 10.1 84.3 12.1 20.4 18.5 36.5 0.1 43.9 10.7 21.9 24.5 23.7 10.2 10.4 5.8 7 10.1 3.6 4.8 73.8 73.4 11.3 35.2 6.6 35.1 1.4 35.3 13.4 53.2 14.5 15 40.9 31.9 169.4 23.8 3 5.8 3.6 14.7 138.6 24.9 11.8 24.3 6.6 9.1 8.5 13.9 37.3 5.1 46.1 47.8 24.5 5 18.2 11.8 32.5 76.1 9.1 11.8 18.2 14.3 20.1 31 1.2 2.1 23.8 2.8 15.2 10.5 15.2 138.3 22.4 4 13.3 41.4 17.9 10.1 51.2 0.4 36.2 20.4 23.2 33.6 6.9 6.2 6.7 16.3 23.9 22.7 6.4 146.8 34.5 24.1 27.4 3.5 51.1 17.3 70 25.9 4.6 10.1 25.6 14.7 24.7 15.4 33.8 18.9 7.7 0.9 5.2 0.9 5.8 16.2 79.7 7.4 1.8 10.6 N-Methylhydantoin 69.8 120.4 236.4 50.7 111.9 38 22.3 35.4 30 79.6 104.9 33.9 65.6 71 91.9 43.7 93.5 33.4 66.6 71.9 66.6 95.8 24.8 135.9 122.6 162.6 26.9 82.2 152.4 125.8 83.9 120.6 193.8 55 41.9 37.9 47.5 79.9 112.3 61.4 101.1 5.6 45.2 15.1 66.9 70.5 141 19.5 58.9 64.8 16.3 21.2 50.6 45.6 65.4 32 202.2 169.5 71.8 141.9 177.9 70 41.9 64.9 26.9 107.7 144.8 45.8 143.7 94 26.3 37.1 63.3 222.9 43.5 89.9 87 157.6 139.6 27.4 38.6 64.2 48.6 39.9 26.2 87.5 41.8 17.1 44.5 161.6 49.5 36.9 421.8 51.1 67.1 120.8 69.7 80.7 39.4 74.4 89.5 38 65.4 30.5 102.5 126.7 44.6 59.4 66.4 35.4 505.6 36.2 35.8 94.8 69 49.9 134.9 63.2 57.3 63.1 62.1 30.5 28.3 78.6 158.8 63.3 37.8 102.4 119.6 48.1 73.3 23.8 36.3 84 66.4 59.5 179.4 18.1 10.3 64.4 N-Phenylacetylglycine 99.3 2383.3 579 119.6 569.7 1233.6 434.3 67.8 461.7 85.9 160.5 84.7 371.4 513.3 364.5 749 232.7 12.9 250.8 899.9 1393.8 210 189.8 1364.5 225.9 2624.2 392.3 151.3 159.7 1194.8 304 177.5 1498.1 241.7 129.5 254.4 78.4 190 141.1 445.1 99 30.1 461.1 297.8 124.2 99.5 1314.6 46.7 21 243.2 1233.3 94.1 276 343.3 182.3 60.4 1440.9 1098.5 915.5 143.3 16.7 273.8 243.4 227.4 68.3 825.9 353.7 268.1 203.4 172.4 130.4 934.4 160.6 211.6 1840.6 150.2 528.9 727.8 562.2 33.2 484.2 68.2 191 56.1 231.7 1068.5 677 374.5 216.5 243.3 262.5 459.1 200.2 76.4 468.1 130.6 251.4 39.8 79.9 241.4 113.1 567.8 454.8 56.1 1722.5 1000.3 1298.3 61.5 29.8 15.3 714.3 887.1 409.9 221.9 139.2 125.5 88 275.6 69.5 1541.5 825.3 93.3 266.4 183.8 385.2 180.8 141.1 364.7 1103.1 183.6 91.4 439.9 831.8 75 261.1 1199.1 34.7 163.9 65.5 N-Phenylacetylphenylalanine 13.8 97.2 36.8 80.1 12.5 17.1 37.6 47.4 36.7 25 57.5 26.8 92.5 49.5 77.8 135 2.5 14 64.2 62.8 68.1 102.2 136.1 25.7 49.3 36.7 38.8 113.9 251.7 43 16.5 124.6 30.9 104.4 128.9 18.7 81.5 143 21.3 78.5 60.1 5.4 67.9 48.3 63.2 112.9 34.3 12.5 5.9 164 48.1 14 51.6 57.8 40.8 32.9 62.4 182.6 41.9 5.2 46.3 51.6 61.4 43 76.4 23.3 305.5 16.9 31.4 127 123.3 34.9 33.7 40.3 35.5 10.3 50.6 186.9 8.1 8.7 23 83.1 10.4 55.4 88.9 45.6 111.1 4.7 51.3 0.7 18.3 17.8 130.4 16.1 47.8 69 2 40.7 7.5 20.7 3.2 84.3 6.2 6.6 Nicotinate 7.6 11.7 6.7 2.5 12.5 14.4 0.8 8.4 14.9 9 9.9 9.3 0.8 9.3 8.2 8.6 18.2 9.4 7.6 10.5 10 12 4.6 14.6 9 9 9.4 12 8.7 8.2 18.4 10.4 10.7 9.9 10.1 8.9 9.3 9.3 7 14.1 9.7 11.2 7.9 8.8 8.2 6.8 5.6 2.9 21.5 8.6 8.9 22.8 8.7 10.3 9.8 10.9 18.5 9.6 11.1 31.5 6.6 12 10.5 7.8 3.9 12 9.9 9 10.6 6.9 9.1 6.4 20.9 7 4.6 8.5 9.6 5.1 24.4 11.3 11.7 10.1 5.7 21.8 3.8 10.3 9.8 10.6 14.1 32.6 8.1 11 10.1 0.1 8.7 9.3 11.9 8.9 12 9.4 10.9 5.4 19.8 10.5 10.7 11.3 7.7 4.3 11.4 1.2 10.8 7.3 8.3 0.4 8.4 19.1 26.1 8.6 8.9 18.5 Nicotinic acid adenine dinucleotide 19.4 12.9 6.5 14.4 11.9 8.4 13.3 22.4 5.5 8.4 10.3 10.5 13.2 3.2 5 23.9 6.3 12.8 12.7 3 11.7 37.7 12.6 10.4 24.7 10.4 27.6 14.7 10.5 10.2 10.1 24.4 4.1 23.7 19.9 32.9 2.8 5.5 10.5 11.1 9.9 24.3 12.1 10.4 5.8 11.9 12 4.6 5.6 10.6 13.4 13.3 12.8 28.6 14.5 15.7 21.8 5.5 15.4 82 5.7 13.9 10.3 10.4 6.2 8.6 23.1 26.2 11.3 10.5 8 5.6 4.5 18.9 17.3 10.8 5.7 14.8 17.4 12.4 18.4 10.9 17.6 6.4 12.2 10.7 18.4 12.5 11 10.7 22.2 11 8 10.9 13.9 13.7 5.5 20.2 0.8 13.1 12.3 11 17 11.1 14.8 10.5 22 5.1 11.8 10.8 6.9 9.6 6.8 23.6 10.9 7 11.7 10.7 15.8 0.7 24.6 12.5 6.5 9.5 19.4 O-Acetylcarnitine 10.2 42.1 78.1 20.1 15.8 70.3 218.9 22.2 23.7 21.6 22 91.4 30.6 15.7 127.9 32.7 7.9 198.2 116 65.5 188.6 74.2 113.2 53.6 21.6 38.7 51.6 79.2 113.6 46.1 33.8 99.5 22.1 53.8 106 2.2 416.4 66 36.6 39.9 0.6 13.7 34.7 138.5 47.8 290.2 5.1 56.8 13 11.3 48.3 39.7 26.2 34.2 40.5 17.5 69.7 33.8 135.6 195.4 20.3 14.7 57 84.6 26.6 115.5 53.1 23.1 553.3 17 183.4 32.3 29.8 26.1 42.6 105.1 55.3 11 31.5 47.8 142.4 52.7 87.6 42.2 1257.3 53.4 42.5 29.3 13.7 113.8 51.3 16.5 49.6 32 48.7 36.7 58.2 130.5 58.5 9.4 29.7 154.5 154 64.6 8.3 7.6 20.3 118.3 82.7 14.9 46.5 17.5 46.7 81.9 11.4 55.9 68.7 56.4 18.8 20.8 19.7 129.2 24.1 34 28.9 143.5 14.3 262.1 23.1 23.8 346.2 29.6 57.2 110.6 35.3 5.9 53 O-Phosphocholine 30.6 46.1 75.3 17.1 51.2 40.6 50.6 23.4 182.8 126.3 44.5 60.5 46.4 19.7 67.1 74.1 140.9 58.2 67.8 125.2 216.1 186 10.1 737.2 56.8 270.6 40.3 133.8 87.9 18.3 20.4 276.3 26.9 6.3 78.9 28.6 58.6 52.3 218 130.6 3.8 113.3 9.6 33 63.7 44.9 16.3 53.7 14.7 205.7 1.6 8 9.1 58.1 51.7 34.1 53.3 26.2 37.6 102.4 12 39.4 29.3 141.7 172.7 55.9 147.9 16.8 3 53.2 49.7 478.9 74 43.3 17.8 44.2 51.6 15.3 23.1 52.3 27.4 55.6 54.3 224.8 65.5 41.9 49.6 78.1 88.8 18.9 243.6 39.1 37.9 157.3 11.9 115 28.1 118.3 21.7 0.8 231.7 228.3 74.7 3 68.9 23 12.8 8.2 13.2 67.7 26 56.8 114.1 67.5 21.5 56.3 259.2 0.9 28.2 52.8 33.4 24.4 122 16.1 126.8 34.1 29.9 48.7 18.6 29.8 61.8 50.2 5.8 5.3 5.2 44.4 Oxypurinol 108.4 1348.1 206.9 124.9 359.8 240 5188.2 81.6 60 130.1 24.7 102.4 121.4 0.5 2210.3 1753.8 182.2 40.8 105.4 451.2 423.5 26 437.3 647.5 173.3 1961.6 51.1 266.3 412.3 281.4 1854 2498.8 76.8 265.5 90.2 91.5 252.1 582.2 282.9 121.2 63.1 160.4 44.5 699.1 18.4 115.8 202.9 0.2 104.6 119.3 194.5 93.7 315.7 2264.7 159.3 574.2 272 21.5 110.5 89.3 81.6 297.1 272.2 125 0.2 139.5 19.7 134.8 305.4 290.4 108.8 53.7 39.3 33.3 62.7 27 109.5 98 115.2 140.7 430.7 134.6 384.4 34.4 383.2 181.5 211.4 231.9 150 806.3 181 22.4 567.3 2551.7 93.4 0.2 94.7 16.8 0.1 280.6 126.3 140.7 157.3 651.6 197.5 1249.3 170.8 368.9 0.2 143.2 61 62.4 83.8 56.7 33.8 99.2 249.3 7.8 4525.7 4.1 75.8 140.8 55.2 71.6 29 75.5 330 35.7 Pantothenate 31 148.7 42.3 21.4 28.2 15.9 35.5 6.8 26.5 27.4 23 43.3 28.6 38.5 38.6 16.3 47 0.1 31.9 39.1 11.7 127.7 24.3 0.9 182 69.3 24.3 32.1 27.5 28.5 68.1 59.4 36.7 12.5 90.2 18.7 29.1 67.5 39.1 122.3 31.1 4.5 9.6 3.9 34.1 28.3 57 38 53.6 15.9 91.3 24.6 8.8 10.1 29.6 16.7 122.7 40.4 27 39.8 9 34 128.9 30 10.4 16.9 9.9 55 33.2 7.9 29.2 27.6 81.5 106.4 61.3 40.3 19.5 428.8 31.7 10.9 27.2 32.7 28 10.3 42.6 34.5 37.7 17.8 230.6 27.1 18.5 58 48 43 112.7 16.5 21.4 29.4 37 18.5 17.7 12.2 218.5 35.5 30.2 18.2 31.7 13 29.8 98.4 27.7 17.8 32.2 25 28.7 26 67.5 55.3 20.4 14.1 17.1 21.8 64.5 19.6 30.2 14.1 68.7 29.6 41.2 29.2 22.3 83.7 7.7 26.5 101.4 21.2 3.1 28.5 Phenylacetate 168.1 58.6 189.3 53.9 164 213 224.9 32.6 220.8 117.8 21.8 98.8 69.3 125.4 88.3 243.4 207 87.4 239.6 403.4 208.3 42.2 320.2 224.8 636.2 320 122.1 139 411 134.4 44.3 99.8 45.1 160.1 41.5 159.2 129.7 0.1 13.7 180.5 124.5 197 65.5 455.3 149.1 5.6 290.8 23.4 73.9 100.9 136.1 9.5 223 98.4 154.1 114.1 28.3 359.1 42.1 17.8 112.8 49.2 127.8 39.8 64.7 20.5 285.9 63.8 232.3 278.1 45.5 211.7 132.7 265.8 0.2 210.6 57.6 1.8 14.3 117.7 147.6 277.6 367.6 95.4 151.1 127 184.5 105.4 57.3 289.8 104.5 58.7 74.9 124.2 171.6 227 30.1 386.5 261.7 358.7 20.6 121.8 87.7 38.3 45.7 147.8 4.9 119.6 209.1 376.9 207.2 360.4 302.5 129.7 86.8 117.4 177.1 20.9 37 1.1 235.1 44 149.6 40.5 15.8 63.4 Phenylalanine 182.5 1482.8 211.5 50.3 167.1 459.2 746.4 79.4 115.9 149.5 262.1 56 257.7 329 238.7 328.1 11.8 108.7 149.4 486.7 149.1 6.2 196 244.6 1059.1 538.6 87.8 796.2 875.3 333 129.5 315.6 180.2 104.1 121.7 195.8 922.7 96.8 74.1 13.9 864.1 152.3 102.1 174.7 718.5 318.5 256.4 359 2.6 43.6 97.1 98.9 84.4 390.1 19.3 21.6 188.4 461.7 128.8 167.7 108.2 712 107.6 58.5 68.6 51 114.1 1180.4 166.3 85 693.9 97.2 85.1 219.1 963.2 31.3 50 183.4 250.1 54.1 274.7 207 336.8 920.8 163.8 236 142.4 145.6 69.6 48.5 524.7 198.7 167.9 79 63.9 45.5 49.2 162.5 371 11.1 399.4 971.4 456.8 214.4 61.1 387.5 302.2 78.1 263.5 137.7 230.5 68.5 45.5 463.2 75.9 97.7 231.2 83.5 119.2 117.2 42.4 14.4 352.6 203.2 173 121.1 76.7 360.3 17.2 195.5 344.9 9.2 97 209.1 Proline 185.3 333.6 367.8 105.8 502.1 269.3 603.2 143.1 371 250.7 308.4 328.4 239.4 288 269 158.2 327.7 52.6 259.3 286.4 483.5 600.4 16.6 1084.5 536.9 440.2 176.2 246 223.3 587.1 531.7 255.2 406.8 207.1 287.1 233.3 228.7 543.7 818 697.4 250.9 23.4 236.5 76.8 197.4 265.3 529.4 283.3 0.2 232.6 779.6 78.2 42.5 146 202.4 77.3 930.2 660 186.6 705.1 153.3 386.7 654.6 228.3 77.5 472.2 608.9 73.8 199.4 283.9 88 368.6 247.8 648 395.5 256.1 297.1 208.7 430.8 132.1 116.8 233.2 212.3 184.6 131.7 1040 372.6 684.4 162.4 383 193.8 251.3 797.8 204.1 426 272.4 193.5 311.8 181.5 241.8 259.4 186.3 192.6 66.4 1579.2 776.2 253.7 17.5 224.1 60.7 1190.8 384.6 124.3 189.9 312.7 439.1 270.5 228.2 246.6 189 383.8 90.5 115.8 219.5 358.5 60.7 240.8 191.7 371.8 295.1 184 143.2 243.2 194.2 244.2 970.8 107 48.6 233.6 Propylene glycol 44 193.5 147.5 31.8 419.6 142.6 180.6 66.9 38.7 52 131.9 176.3 143.5 63.8 289.8 85.9 32.6 11 50.6 54.1 363.6 2182.2 0.1 40.2 199.8 28.2 48.1 93.2 100.7 340.1 316.6 258.2 74.1 847.9 12 49.8 90.7 175.5 81.3 73 68.7 177.5 90.6 178 50.2 134.4 111.2 1806.8 54.3 1094.6 17.5 17.6 28.4 48.3 75.6 524 1147.1 77.5 0.1 36.8 205.6 47.2 18.4 24.1 19.5 46.5 61 25.9 192.7 47.8 200.1 40.8 44.8 100.3 226 28.7 198 34.2 42.9 215.9 297 26.1 67.6 37.4 60.7 23.2 68.1 40 37.4 47.3 681.2 322.8 54.8 70.4 183 15.9 44.9 421.1 72.1 246.4 32.3 433.8 42.1 139.6 269.7 51.8 37 113.4 49.5 34.4 28 27.7 39 1716.9 39.8 145 73 105.1 61.9 39.9 139 57.1 47.2 224.4 85.6 44.7 15.5 21.7 917.4 207 26 42.6 112.4 19.5 20.1 46.3 Pyridoxine 30.8 71 43.1 33.9 118.8 202.6 20.5 59.9 45.2 87.6 88.1 50.5 23.3 21.1 19.2 91.9 31.9 31.5 107.5 105.9 114.8 18.5 305.9 184.5 151.7 18.6 47.6 52.5 33.3 76.2 129.3 51.6 40 64.4 88.9 36.4 73.2 321.2 308 39.1 12.5 57.5 7.8 58.4 33.5 47.7 24.2 44.6 31.6 144.2 16.3 12.2 57.8 31.7 5.3 195.8 64.6 21.1 83.6 20 24.8 65.5 35.4 28 39.2 87.8 25.3 145.2 86 10.3 108.4 38.1 169.3 170.7 38.2 45.4 51.4 76.1 25.9 30.4 29.5 28.9 56.7 52.3 186.8 42.4 70.7 60.2 73.2 40.2 50.6 598.7 49.3 90.6 93.9 40.6 124.2 35.9 36.7 84.4 37.9 24.5 23.6 257.5 94 131.3 19.5 37.4 64.2 172.4 116.2 51.7 30.1 32.5 43.5 77.5 46.5 78.2 63.7 104.4 118 33.8 36.4 61.3 12.4 31.6 40 182.5 20.2 51.6 50.3 20.5 194 57.2 29 58 12.3 7.5 36.2 Pyroglutamate 214.2 834.3 1338.7 160.1 393.1 274.3 440.7 71.5 350.2 230.5 245.7 356.4 300.9 197.8 341.3 292.3 176.3 85.2 239.6 573.9 671.4 1153.7 98.6 2073.8 778.2 526.2 181.3 240.2 215.2 539.4 382.2 513 465.5 199.9 494.2 299.4 233.7 414 652.4 590.9 370.2 13.7 216.8 41.5 263.8 227.2 474.9 221.1 274.5 391.1 487.8 76.8 80.1 155.1 219.8 113.2 566.9 363.8 222.9 788.7 141.6 325.1 462.3 212.9 104 377.4 625.3 87.4 262 305.3 90.2 306.6 214.1 944.9 587.8 244.2 398.8 171.1 369.6 188.8 193.1 205 185.7 290.1 144.4 1063.2 507.5 599.1 136.1 916 201.6 256 707.8 252.9 907 367.9 186.1 424.2 206 128.2 516.4 15.9 153.9 42.8 1305.7 924.5 279.7 99.2 244.7 233.8 1032.8 52.8 187.9 167 380.3 334.5 444.2 217.3 292.5 0.4 314.2 187.7 105.7 195.8 760.4 66.8 221.5 162.8 45.5 260.4 205.8 122 122.2 255.4 289.9 218.9 1350.7 85.2 30.5 215.6 Pyruvate 8.4 157.5 244.7 41.9 52.8 48.1 54.1 7.6 62.7 28.5 41.7 28.1 30.7 22.6 23 24.1 56 0.5 11.8 60.1 64 37.3 48.8 244.8 84.5 64.5 15 36.1 27 65.1 105.4 40.4 80.6 22 35.3 24.3 21.4 44.5 83.8 57.1 36.2 16.4 10.1 32.9 16.8 97.1 21.5 13.3 32.7 130.6 6.8 22.5 10.3 25.9 3.2 62.4 163.9 48.8 80.7 22.9 59.9 103.7 19.3 24.1 60.4 43.9 27.2 26.4 19.3 63.4 5 52.3 38.4 28.6 23.8 47.1 74.8 39 8.1 28.6 15.8 9.8 7.3 131.3 43.7 52.5 53.7 130.4 17.3 38.3 109.8 18.7 78.9 22.1 18.4 86.5 21.4 28.6 26.5 14.1 26.3 25.8 101.1 1397.2 32.5 7.6 21.5 14.2 411 52.5 9.2 31.8 27.6 43.1 28.5 16.6 44.4 80.3 48.7 4.9 20.3 15.3 90.9 30.7 31.7 13.3 69.2 14.7 20.1 6.7 29.7 98.1 9.5 22.7 79.2 10.7 2.2 30.7 Sarcosine 239 113.8 1045.7 16.6 26.3 635.2 183.9 18.7 373.2 36.1 11.5 98.4 39.9 18.2 32.9 11.8 305.4 34.9 97.1 38.1 87.5 54.2 4.6 746.6 58.9 207.9 25.7 19.4 228.7 38.4 40.9 37 434.5 56.9 39.3 25.6 32.1 207.6 124 263.9 30.4 39.4 9.8 27.8 40.8 101.5 11.6 8.9 36.5 682.7 74.8 6.6 17.8 31.2 99.1 170.2 198.2 84.7 60.6 83.6 49.3 295.6 29.1 14.2 240.1 164.8 20.8 36.8 31.8 69.5 34.1 30.9 143.2 65.9 26.1 35.6 33 815.6 6.1 164.6 18.3 80.8 13.6 20.6 291.6 49.9 132.1 47.4 74 42.3 218.6 100.6 31.5 72.9 40.5 145 415.5 12.4 46.9 37.3 15.4 18.9 46.6 934.9 567.2 27.7 107.7 197.4 0.1 73.2 27.7 18.2 29.1 84.1 410.3 38.8 257.8 8.6 491 18.5 5.6 36.5 108.7 47.1 53 31.4 29.9 34.9 27.6 14.2 101.6 54.5 413.5 22.1 20.1 205.6 86.3 5 30 Serotonin 156.8 69.3 83.2 31.6 47.5 124.6 129.3 123.6 44.5 136.4 132.6 108.5 42.4 48.9 9.3 84 84.8 28.5 119.3 202.1 130 97.9 26.1 3.1 37.7 82.5 74.5 24.8 148.1 52.1 10.6 223.9 58.3 48.4 36 149.2 43.6 3.5 48.6 28.9 96.6 124.4 67.1 172.8 10.5 36 130.4 15.8 17.3 121 44.1 280.9 58.9 21.6 42.4 82.7 11.9 162.3 66.9 66.9 11.1 69.9 118.5 10.1 87.3 109.4 60.2 5.8 2.3 151.6 236.2 44.2 85 118.7 111.5 71.5 78.4 59.5 68.8 90.7 52.2 185.8 121.2 44.3 47.9 50.9 149.5 13.1 223.6 27.1 117.2 171.6 63 138.9 6.9 58.5 147.4 75.8 32 128.1 63.1 39.2 41.8 77 162.5 16 55.1 111.2 113.2 52.5 108.5 57.7 27.4 92.8 94.7 5.6 64.6 116.1 18.2 359.1 16.1 3.8 56.6 118.3 108.7 75.3 102.2 81.4 21.9 31.2 128.2 Succinate 6.6 150.6 2664.3 22.4 78.2 32.4 23.1 23.6 50 5.4 88.5 15.1 38 48.6 63.8 12.3 15.4 51.8 37.5 99.8 0.6 637.3 30.1 194.2 71.9 8.3 14.4 67.2 25.4 7.7 13.7 18.3 385.5 22.7 8.1 52.4 59.7 76 30.9 10.7 11.1 12.7 206 7.8 85.2 4.4 32.9 149.1 71.6 27.2 21.1 0.4 35.1 386.3 138.7 50.3 62.7 39.3 27.8 20.9 5.1 3.6 14.7 13.8 38.2 0.2 1.3 31 13.4 84.8 36.6 11.7 53.7 23.2 291.4 4.7 119.9 5.2 31.8 44.6 342.5 45 22.7 5 148.5 5.5 30.7 109.2 32.1 26.6 6.7 16.7 386.4 28.7 7.3 132.9 43.9 21 7.2 36.8 6373.7 38.3 20.4 3.9 37.3 69.3 1.2 47.1 4.6 148.9 32.2 70.4 4.2 12.6 105.1 54 11.5 20.2 47.7 34 29.6 3.7 14.5 173.6 6.2 24.8 48.5 171.3 133.2 7.3 251.6 50.1 2.9 8.2 Sucrose 201.7 477.6 550.5 18.8 538.8 402.4 533.1 32.8 200.4 188.7 78.8 120.9 157.6 111.7 153.5 632 94.3 58 145.3 424.1 192.3 563.2 23.6 1349.1 509.1 693 39.6 188.1 237.1 156.2 302.2 196.5 295.9 86.4 541.7 381.6 127.1 294.1 239.5 446.3 206.5 34.2 155 64 407.3 194.7 496.8 169.4 41.4 212.9 522.3 62.3 59.2 84.9 193.3 95.5 417.4 532.7 264 207.5 107.5 199.7 233.5 134.3 65.5 312 426.5 37 169.1 119.4 103.8 452.3 227.6 260.4 377.2 148.4 150 109.6 294.5 140.4 88.4 210 124.7 91.2 59.8 723 255.3 230 62.8 313.6 166.3 135.2 408.3 71.8 687.5 139.9 87.5 843.1 74 166.9 151.3 186.6 56.4 33.3 567.2 435.1 259.9 28.9 81.3 47.9 636.2 146.6 121.6 140.6 412.3 349.8 186.6 165.5 127.5 390.8 218.2 75.9 1579.1 80 553.6 84.6 169.9 93.3 442.9 248 171 26.8 171.7 312.4 101.1 205.4 667.2 80.6 64.5 140.6 Taurine 84.6 3.3 1319.4 90.7 133.3 12.7 32.3 777.4 124.6 64.9 268.9 749.1 59 143.4 899.7 45.3 161.1 5 637.7 519.9 19.5 2078.8 1798.8 0.2 527.3 129.7 355.3 108.4 40.8 380.7 182.9 183.6 558.2 79.4 2.2 332.5 91 15.2 46.6 825.3 971.1 349.4 1658.8 73.4 173.8 49.1 151.3 858.8 386.7 172.3 206.5 252.2 42.2 88.6 0.9 42.5 206.2 245.3 276.5 11.7 753.6 109.8 103.8 428.8 169.3 180.9 73.4 41.1 2.3 310.6 17.3 13.2 57.2 168.4 286.7 40.7 76.2 1252.1 69.5 152.3 374.9 364.7 289.4 1209.3 228.9 175.8 716.3 70.9 325.4 196.4 435 112.2 71 165.7 759.2 10.3 100.1 125.6 88.2 21.6 39.8 16.2 392.5 70.9 112.3 127 2 30.4 110.9 Threonine 70.2 217.9 413.9 39.6 65.1 230.4 177.2 68.4 242.7 88.3 28.7 117.1 255.9 80.8 33.2 205.9 228.1 54.8 81.6 310.3 413.9 763.6 44.9 1143.4 166.2 315.4 72.9 110.9 154.7 237.5 200.8 295.1 325.5 176.5 213.9 137.2 83.8 196.2 125.7 328.2 134.1 37.4 346.1 71.3 199 85.5 287.6 80.4 117.6 59.7 483 23.8 16.5 47.7 91.4 44.6 832.7 204.4 93.9 273.6 161.3 119 314.2 104.9 62 222.8 535.7 20.8 188.4 59.1 43.3 79.9 86.2 101 100.9 79 198.4 175.2 163.5 76.9 13.5 101.8 129.6 51.4 29.5 426.9 179.2 168.4 132.6 100.8 96.8 84.2 576 117.3 300.9 2.6 134 167.8 36.7 1 236.3 124.6 60.2 12.9 770.1 109.6 62.5 52.3 85.1 40.4 1003.3 261 45.2 55.2 173.1 70.7 307 67.6 152.7 154.2 63.1 42 93.2 76.5 300.3 40.4 109.9 33.3 250.7 164.3 81.9 75 139 155.5 70.3 82.4 323.5 32.9 12.5 87.1 Trigonelline 291.2 66.6 55.5 136.2 411.1 163.7 74.2 60.7 392.5 281 57.9 352.1 16.3 101 26.9 141.7 35.9 11.6 300.2 6.9 107.2 64.2 5.8 63.7 1439.7 32.2 382.7 306.5 144.3 429.9 69.6 38 31.7 71.5 182.8 25.2 302.3 152 291.8 97.5 138.5 8.6 57.9 13.7 78 294.2 141.9 33.5 6.2 81.4 188.7 70.1 363.3 227.8 297.5 11.4 46.4 374.8 42.7 277.1 748 104.6 124.7 298.4 210.1 344.2 1019.9 93.4 65.9 44.6 124.2 7.1 282 130.6 724.3 129.5 168 59.1 7.4 22.1 286.3 323.5 720.2 77.5 219.9 288.3 379.7 174.7 82.8 292.1 498.2 24.1 82.2 1101.6 257.2 63.7 23.8 24.9 287.6 17.4 79.7 48.3 13.8 54.7 646.1 69.3 9.4 282.2 26.7 135.4 43.4 180.6 457.2 29 274.4 31.7 282.8 348.4 187 19.1 108.1 257.5 46.1 16.4 277.8 95.5 118.4 30.2 27.9 22.1 150 18.2 300.5 2134.5 208.2 52.7 296.4 Trimethylamine 32.9 131 42.5 11.7 48.9 13.1 11.2 3.7 38.7 39.3 16.7 35.3 7.1 10.4 47 172.6 33.7 26.6 40 23.8 17.1 123.6 9.1 140.8 47.3 13.2 40.8 45.5 21.6 162.8 31.4 49.5 12.8 75.5 15.9 31.7 71.6 32.2 246.8 13.3 1.7 36.5 46.8 18.3 34.5 39 2.5 14.6 14.8 1.9 5 7.4 40.1 32.6 17.9 59.6 59.6 9.9 24.6 12 9.8 30 37.4 5.7 61.7 31.2 5.1 49.1 10.1 10.5 14.4 29.5 44 23.9 2.7 13.9 13.5 21 10.8 6.8 30.8 32.3 38.1 8.5 155.1 15.3 4.5 8 88.4 23.6 25.4 98.3 15.8 54.9 0.5 5.1 7.4 31.8 36.5 14.5 14.1 26.1 6.4 156 22.5 36.4 19.8 30.4 31.4 318.7 42.5 11.6 43.4 21.1 21.9 19 33.2 14.3 35.1 31.2 37.6 15.5 50.5 28.1 4.3 35.9 38.2 27.9 17.3 29 22 16.3 34.4 18.8 30.9 41.6 10.1 10.2 31.4 Trimethylamine N-oxide 112.3 694.5 25.7 91.1 18.8 890 16.7 128.6 575.4 363.7 154.3 203.2 125.7 1090.3 274.3 27.1 174.1 51.8 113.8 319.8 266.8 442.2 7.9 136.2 152 908.3 326.1 392.1 472.7 899.6 142.5 203.1 392.6 104.2 179.7 108 99.9 549.8 715.9 741.3 358 38.7 144.8 148.7 40.1 357 1470 1236.7 11.6 578.2 334.3 42.1 106.5 304.4 334.3 12.7 1613.1 74.8 288.8 204.3 364.4 176.9 127.3 342.3 59.9 709.9 215.1 104.9 20.6 60.3 24.2 333.2 289.1 344.8 17.5 86.3 37.3 65.5 14 338.1 34.2 81.2 298.2 585.3 312.3 27 11.4 586.4 328.3 175.8 61.8 10.9 307 20.6 20.1 69.7 63.6 344.4 82.4 372.8 136.9 118.4 914.9 840.1 519.2 32.5 89.1 107 1150.7 621 15.8 69.4 34.2 134.8 114.6 343.5 339 151.9 128.8 65.4 148.7 1573.3 205.7 51.7 325.7 60.4 15.4 261 46 86.6 281.4 205.3 107.2 144.4 1301.8 71.2 81.1 340.3 Tropate 198.7 635.3 271.9 59.1 225.8 587.1 1292 82.3 45.5 197.1 147.7 166.4 180.3 163.2 194.8 309.4 520.9 6.2 207.5 256 423.5 201.8 28.5 269.1 262.3 876.7 539.9 224.3 224.5 1434.2 971 154.6 458.4 149.8 134.3 42.2 250 621.5 128.9 932.8 74.1 33 640.8 263.7 73.5 201.5 525.8 625.4 17.4 359.5 74.2 53.4 94.6 98.1 249.5 37.4 358.4 412.9 649 4.6 60.8 97.2 382.7 208.7 67.6 690 38.2 100 61.9 79 192.5 1238.7 184.6 26 288.7 163.6 294.8 71.7 881.2 33.3 61 174.4 176.8 54.1 153.3 93.3 262.4 193.6 205.2 211.9 188.2 35.6 62.8 63.6 463.4 32.7 104.4 149.4 166.8 106.9 57.9 282.1 16.9 678.9 1005 367.8 19.2 213.1 15.8 195.9 241.3 153.6 176 151.8 239.7 56 167.8 79.9 276.8 180.9 215.3 493.9 85.6 138.9 213.8 234.7 36.5 231.8 63.4 178.3 83.4 58.4 310.8 62.9 195.9 137.1 42.2 66.5 231.7 Tryptophan 128.5 209.7 88.9 16.1 91.5 241.5 151.7 14.4 57.8 115 39.3 83.4 93.9 45.2 71.4 92.9 41.1 21 125.1 38.1 123.2 147.6 11.4 217.8 288.1 265.6 92 121.5 130.1 183.2 316.3 104 150.3 79.6 98.6 49.5 129.2 108.3 123.6 186.6 10.7 12.5 33.6 104.8 121.1 146.1 114.2 24.6 37.6 98.4 210.7 10.3 48.6 31.7 144.6 16.8 164.4 201.4 106.8 65 40.9 122.2 44.8 147.4 17.3 55.4 171.1 11 84.5 64.9 55 96.1 138.5 83.5 93.6 60.1 34.5 41.4 93 48.8 15 146.8 117.7 103.1 34.1 297.2 104.7 221.2 42.9 124.4 143.8 41.8 130.2 76.1 96.3 93.7 76.2 124.6 51.9 130.4 144.1 26 35.3 18 152.5 96.4 183.4 60.2 180.3 32 173.6 526.8 52.8 100.2 79.3 98.3 41.6 111.7 93.7 93.4 51.3 89.3 39.6 108.6 105.9 60.1 125.6 77.5 55.8 111.8 35.3 35.7 113.9 208.3 33.1 179.1 218.9 18.9 13.7 154.5 Tyrosine 109.4 237.9 105.4 42.9 69.1 242.3 7.5 97.8 104.8 12.4 31.7 146.1 25.5 83.7 43.6 109.3 28 76.2 114.4 180.3 189.2 12.9 110.2 42.2 172.2 44.3 102.8 16.2 146.6 313.7 9.1 140.6 86.9 64.7 61.8 102.6 221.6 172.8 323 20.4 7.6 163.6 25.2 48.5 93 317.9 84.5 95.2 210 11 63.4 78.2 110.7 19 269.6 94.3 76 12.7 53.9 55 93.6 85.8 16.1 171.8 16 50 119 53.2 19.3 139.3 77.8 135.8 63.8 67.5 76 84.2 79.1 37.7 44.2 90.4 74.1 40 68.8 168.6 160.6 123.1 140.1 82.8 70.9 39.2 39.3 48.2 14.4 65.2 42 93.8 32.1 56.8 87.2 24.1 159.4 152.6 152.4 0.4 95.4 3.4 308.8 127.4 36.5 51.6 52.3 10.8 7.4 111.5 111.2 147.1 40.6 48 1 179.1 69.7 99.3 5 934.9 160.3 49.7 93.8 0.2 108.8 20.3 80.7 140.8 15.2 15.5 97 Urocanate 3.7 47.4 40.4 40.3 0.6 8 20.3 26.7 6.7 12 5.4 9.4 9.4 24.5 6.1 4 9 16.1 101.1 1.3 61.3 15.5 9.5 5.2 5.8 23.9 38.9 40.3 12.3 8.1 4.8 2.8 6.4 1.9 29.1 62.5 18.8 19.6 8.8 8.3 53.5 5.9 2.9 19.9 5.3 3.4 11.8 7.8 19.1 12.9 13 5.5 9.7 30.3 1.1 6.8 5.5 13.8 61.3 164.4 15.4 14.6 14.5 22 3.8 6.5 4.8 4.6 60.1 14.1 9.9 4.7 1.3 27.2 18.4 217.2 14 5.3 16.8 9.8 18.6 4.1 13 9.1 3.8 5.2 13.4 14.2 7 11.9 15.4 18.6 28.1 7.4 25.7 16.6 19.8 4.4 49 8.5 5.9 5.7 10.3 21.2 9.1 14 14.2 0.5 23.9 4.1 7.8 8.9 0.8 Valine 18.5 41.8 39 12.3 3.9 14.3 16.6 8.2 53.7 12.6 25 17.2 27.2 13.4 26.5 8.6 24.5 10.6 17.8 17.7 26.1 41.7 10.9 98.6 50.3 37 14.5 18.8 26.6 40.2 37.1 32.9 17.9 16.1 44.1 28.6 18.5 33.1 31 60.8 3.4 20.9 2.5 27 17.6 48.1 18.8 7.7 20.8 25.8 3.3 8.2 16.3 16.5 9.4 40.8 64.2 1 22.6 7.5 15.6 66.1 14.4 9.2 31.6 6.6 13.7 25.7 19.3 9.8 12.6 18 72.1 38.1 21.7 19.5 11 34.6 23.9 7.8 19.9 23.4 20 13.3 47.6 32.9 26.4 62.3 17.7 10.8 57 18 33.7 22.6 13.3 14.7 15 11.6 35.7 12.5 11.3 8.2 74.6 23.4 42.2 9.9 17.8 13.6 202.2 15.5 7.5 22.1 33.2 21 31.8 7.7 31.4 37.5 20.4 61.5 7.9 43 15.1 16.7 10.8 43.4 23.3 42.7 11.7 17.6 36.7 24.6 17.5 158.6 5.9 2.8 18.5 Xanthine 266.1 188.3 67.6 50.1 235 36.3 250 42.3 168.3 265.9 116.7 379.8 133.2 227.6 261.8 376 4.9 271.9 463.5 50.8 292.2 147.5 765.9 433 75.9 279.4 135.7 358.9 415.2 324 58.3 103 266.9 87.9 282.4 358.4 140.9 301 135 25.9 440.5 52.9 97.7 259.9 200.3 4.8 64.1 43.9 564.8 26.9 53.8 269.6 56.3 24.5 9.5 112.6 25.5 252.1 34.9 61.7 219.5 257.4 21.5 27.5 368.1 60.6 294.5 145.3 45.9 121.6 197.8 275.3 196.2 296 46.3 719.7 64.1 266.2 201.6 337.6 33.6 375 121.3 86.7 228.4 265.7 145.6 412 88.6 481.9 89.9 27 111.5 72.1 90.6 163.9 21.3 15.7 53.7 360.3 225.5 875.5 272.6 469.3 243.7 107 390.6 114.5 80.2 104.8 267.8 54 72.4 107 47.7 70.1 351.7 167.4 77.7 353.2 548.4 172.5 367.7 75.1 60.6 54.6 485.8 121.5 220.1 1418.2 11.9 58.9 207.7 Xylose 431.2 673.1 997.8 184.1 585.5 848.7 922.2 175.5 1151 655.4 222.1 433.6 297.5 203.1 448.1 495.1 420 403.8 355.6 1562.1 313.3 12.3 1296.6 677.1 473.8 294 729.4 953.1 499 595 673.2 432 461.3 616.8 325.9 494.2 1075.6 2131.7 930.4 863.8 3.3 623.9 92.1 153.4 614.8 210.7 13.1 9 2862.2 96.7 312.8 286.2 312.9 207.1 1208.7 270.7 1590.2 364.3 386.2 1290 314 328.2 669.4 1346.2 153.3 994 180.7 568.5 393.4 1025.8 404.4 133.4 224.7 445.8 621.9 93.4 624.8 140.8 461.9 4.2 3789.7 537.1 713.9 542.5 744.9 342.7 495.5 584 383.2 289.6 325.6 401.3 716.5 177.8 438 412.5 537.6 31.6 195.4 1404.7 1102.2 381.3 194.3 554.7 116.2 798.6 116.7 156.3 702.3 26.1 701.2 941.7 128.6 338.7 1138.5 348.3 330.5 106.3 352.7 297.8 152.7 481.4 210.8 746.1 225.4 201.3 355.8 135.2 430.5 919.9 496.7 742.5 94 13.7 354.8 cis-Aconitate 145.1 283.1 180.6 102.1 624.2 135 261.3 73.8 354.4 334.1 234.2 270.1 181.5 125.7 224.4 152.7 256 84.8 319.9 256.6 536.3 782.6 27.5 1619.1 615.9 172.5 80.2 151.5 88.3 250.6 330.7 228.9 75.4 168.3 508.5 429.9 158.2 394.4 850 472 281.3 43.3 161.5 158 148.7 59.7 856.1 13.1 320.4 100.2 168.3 19.8 71.1 109.9 423.3 122 12.4 356.8 44.5 230.3 183 214.3 195.4 137.4 63.7 222.7 586.6 38.5 139.9 156.3 47.2 175 383.8 599.7 103.6 163.1 211.4 188.3 223.6 272.1 38.9 121.9 121.8 176.8 95.3 411.5 242 267.8 77.2 912.3 82.6 251.8 586.9 274.4 202.7 242.3 475.4 108.2 439.4 107.7 432.9 204.1 115.8 46.2 607.7 305.1 245.6 108 142.7 88.5 986.8 155.1 52.6 73.7 408.5 1137.9 374.7 132.7 279.8 323 222.9 331.5 90 163.2 889.2 198.7 148.3 191.9 260.8 259.7 248.7 149.4 76.2 338.2 148.5 138 768.7 82.5 116.1 21.9 trans-Aconitate 35.7 61.7 76.2 31.1 122.4 38.9 49.4 20 51.5 38.4 8.2 46.3 32.6 30.1 50.6 25.2 30.6 9.1 35.6 25.1 31.2 100.1 119.3 109.6 57.8 34.2 38 38.2 23.4 19.6 34.3 49.3 37.7 13.2 35.9 48.2 79.1 83.2 47.4 7.9 40.3 10.3 20.5 36.6 257.9 9.2 1.9 41.5 68.8 8.7 8.5 40.5 7.9 334.5 100.3 20.2 65.2 40.8 39.2 42 38 2.5 34.8 74.3 32.3 29.5 10.8 24.5 8.5 37.3 83.4 33.9 22.6 27.6 56.2 25.2 16.1 70.9 34.7 54.8 5.3 66.6 62.2 60.9 12.5 69.7 37.7 35.7 46.8 16.4 55.7 97.6 47.3 162.7 12 38.7 53 37.9 18.5 9.2 117.1 50.5 58.8 16.1 38.1 5.1 135.4 4.6 67.5 24.5 43.1 65.1 44.5 36.1 25.1 92.5 22.1 6.4 7.3 25.3 63.2 62 36.3 26.6 30.6 26.5 26.9 58.3 5.5 37.1 14.3 36.9 609.4 12.9 4.8 37.3 β-Alanine 118.6 316.1 154.4 64.1 135 162.4 240.9 70.4 34 197.2 132 79.1 98.9 406.3 80.7 246.6 60.8 162.7 219.7 231.5 840.2 112.5 607 184.2 116.8 209.6 197.4 270.1 184.9 252.8 165.4 207.6 98.8 389.2 169 123.7 100.9 255.5 102 94.6 32.5 23.7 28.4 230.1 150.9 305.4 106.4 34.5 88 164.1 85.1 56.6 85.2 148.6 103.5 594.5 152.5 133.9 274.9 150.3 217.6 177.7 135.6 44.5 100.9 499 62.8 156.4 106.8 109.6 59.3 119.9 518 136.6 87.2 206.4 151.7 84.1 109.1 63 183.5 117.5 250.5 94.2 343.8 195.1 133.9 101.6 525.7 139.3 69.2 614.3 266.1 324.1 231.2 125.9 25.4 123.7 191.4 293.8 118.5 64.3 392.7 79.2 307.9 93 125.8 111.3 718 186.2 81.5 151.6 299.8 118.7 302.2 127.7 253.3 244.5 90.7 161 69.4 77.8 470.5 81.4 32.5 292.8 184.2 12 162.3 71.3 43.9 249.6 174.2 141.5 60.1 47.3 20.7 129.4 π-Methylhistidine 710.6 390.7 31.6 91.4 322.3 129.7 326.5 18 106.2 261.9 123.2 159.4 48.8 220.1 404.7 280.6 206 1 684 103.7 220.2 159.4 17.1 358.5 277.5 193.6 235.7 718.8 2560.3 353 409.5 94.9 1187.7 643.7 178.6 19.7 728.4 502.6 118.5 583.2 52.4 824.2 38 115.9 659.3 1200.8 340.2 3.3 587.3 298.7 35.7 693.8 475.8 716.8 28.8 155.1 441.9 65.6 518.2 488 496.8 623.6 719.6 17.5 211.9 80.2 144.1 102.1 533.1 120.7 142.1 569.2 550.6 700.7 110.8 79.6 79.4 644.9 53.1 24.3 672.3 134 87 49.8 251.3 178.2 238.7 551.4 113.1 673.3 323.5 32.4 55.6 1012.9 198.2 640.3 385.1 61.4 636.1 90 137.4 68.7 69.7 890.9 543.3 187.2 28.7 711.3 2 387.4 262.6 106 156.4 84.4 719.5 80.2 666.5 41.6 235.7 131.6 79.5 128.1 167.2 78 64.9 660.6 194.9 275.3 199.5 12.2 74 57.6 1868.7 675.7 317.3 47.8 124.1 670.1 τ-Methylhistidine 203.6 199 195.2 91.6 254.3 207.2 229.9 81.6 197.2 232.4 178.3 185.6 190.4 113.4 129.5 81.8 199.9 47.9 171.3 134.4 356 211.9 25.7 263.6 119.4 133.4 157.3 190.6 276.4 244.8 296.5 269.4 105.9 93.2 234.5 67 179.8 288.6 323 199.1 98.4 22.4 119.4 76.7 76.8 161.2 294.6 35.6 87.2 179.6 311.9 31.3 76.7 135 202.7 22.1 220.6 138.8 114.6 271 162.1 149.9 266.7 185.3 78.6 229.4 317.4 59.4 155.2 145.8 67.3 224.1 210.5 490.2 185.4 201.8 172.4 150 195 109.1 49.4 208.5 149 138.7 109.8 359.6 285.3 275 136.9 370.4 197.4 98.9 318 142.2 348.8 185.4 161.3 128.1 70.7 202.5 168.3 143 79.6 57.4 394.1 153.1 385.6 50.7 206.6 62.7 502.5 255.3 88.5 205.5 219.5 204.8 161.4 188.2 135.1 205.6 140.5 52.5 70.6 285.9 330.9 62 194.5 114.8 365.6 223.8 163.7 53.9 156 325.8 145.5 200.8 401.7 46.5 28.9 202.5 metabolite_name Idx Name 1_3-Dimethylurate 1 M1 1_6-Anhydro-β-D-glucose 2 M2 1_7-Dimethylxanthine 3 M3 1-Methylnicotinamide 4 M4 2-Aminoadipate 5 M5 2-Aminobutyrate 6 M6 2-Furoylglycine 7 M7 2-Hydroxyisobutyrate 8 M8 2-Hydroxyphenylacetate 9 M9 2-Oxoglutarate 10 M10 3-Aminoisobutyrate 11 M11 3-Hydroxy-3-methylglutarate 12 M12 3-Hydroxybutyrate 13 M13 3-Hydroxyisobutyrate 14 M14 3-Hydroxyisovalerate 15 M15 3-Hydroxymandelate 16 M16 3-Hydroxyphenylacetate 17 M17 3-Indoxylsulfate 18 M18 4-Aminohippurate 19 M19 4-Hydroxy-3-methoxymandelate 20 M20 4-Hydroxyphenylacetate 21 M21 4-Hydroxyphenyllactate 22 M22 5-Aminolevulinate 23 M23 5-Hydroxytryptophan 24 M24 6-Hydroxynicotinate 25 M25 ATP 26 M26 Acetaminophen 27 M27 Acetate 28 M28 Acetoacetate 29 M29 Acetone 30 M30 Adipate 31 M31 Alanine 32 M32 Anserine 33 M33 Arginine 34 M34 Ascorbate 35 M35 Asparagine 36 M36 Azelate 37 M37 Betaine 38 M38 Butanone 39 M39 Caffeine 40 M40 Carnitine 41 M41 Carnosine 42 M42 Chlorogenate 43 M43 Choline 44 M44 Citrate 45 M45 Creatine 46 M46 Creatine phosphate 47 M47 Creatinine 48 M48 Dimethylamine 49 M49 Ethanol 50 M50 Ethanolamine 51 M51 Formate 52 M52 Fructose 53 M53 Fumarate 54 M54 Gabapentin 55 M55 Galactarate 56 M56 Galactose 57 M57 Glucitol 58 M58 Gluconate 59 M59 Glucose 60 M60 Glucose-6-phosphate 61 M61 Glutamine 62 M62 Glycine 63 M63 Glycolate 64 M64 Glycylproline 65 M65 Hippurate 66 M66 Histamine 67 M67 Histidine 68 M68 Homovanillate 69 M69 Hypoxanthine 70 M70 Ibuprofen 71 M71 Indole-3-acetate 72 M72 Indole-3-lactate 73 M73 Isoleucine 74 M74 Lactate 75 M75 Lactose 76 M76 Lactulose 77 M77 Leucine 78 M78 Lysine 79 M79 Malonate 80 M80 Maltose 81 M81 Mandelate 82 M82 Mannitol 83 M83 Methanol 84 M84 Methionine 85 M85 Methylguanidine 86 M86 N_N-Dimethylglycine 87 M87 N-Acetylglutamine 88 M88 N-AcetylglutamineDerivative 89 M89 N-Acetylornithine 90 M90 N-Acetylserotonin 91 M91 N-Acetyltyrosine 92 M92 N-Methylhydantoin 93 M93 N-Phenylacetylglycine 94 M94 N-Phenylacetylphenylalanine 95 M95 Nicotinate 96 M96 Nicotinic acid adenine dinucleotide 97 M97 O-Acetylcarnitine 98 M98 O-Phosphocholine 99 M99 Oxypurinol 100 M100 Pantothenate 101 M101 Phenylacetate 102 M102 Phenylalanine 103 M103 Proline 104 M104 Propylene glycol 105 M105 Pyridoxine 106 M106 Pyroglutamate 107 M107 Pyruvate 108 M108 Sarcosine 109 M109 Serotonin 110 M110 Succinate 111 M111 Sucrose 112 M112 Taurine 113 M113 Threonine 114 M114 Trigonelline 115 M115 Trimethylamine 116 M116 Trimethylamine N-oxide 117 M117 Tropate 118 M118 Tryptophan 119 M119 Tyrosine 120 M120 Urocanate 121 M121 Valine 122 M122 Xanthine 123 M123 Xylose 124 M124 cis-Aconitate 125 M125 trans-Aconitate 126 M126 β-Alanine 147 M127 π-Methylhistidine 148 M128 τ-Methylhistidine 149 M129