Metabolite_name RefMet_name MR_A1 MR_A2 MR_A3 PP_A1 PP_A2 PP_A3 MR_B1 MR_B2 MR_B3 PP_B1 PP_B2 PP_B3 MR_C1 MR_C2 MR_C3 MR_C4 PP_C1 PP_C2 PP_C3 MR_D1 MR_D2 MR_D3 PP_D1 PP_D2 PP_D3 Factors - Treatment:A Treatment:A Treatment:A Treatment:A Treatment:A Treatment:A Treatment:B Treatment:B Treatment:B Treatment:B Treatment:B Treatment:B Treatment:C Treatment:C Treatment:C Treatment:C Treatment:C Treatment:C Treatment:C Treatment:D Treatment:D Treatment:D Treatment:D Treatment:D Treatment:D 13C5-15N-Glutamic acid 1523966.0600 1606848.8000 1856437.0900 1621035.2300 1666683.9100 1535779.7300 1507813.3100 1518075.8500 1504525.9500 1411237.5800 1704967.1500 1487460.7800 1594200.7800 1702158.9700 1607115.2600 1489894.6800 1304068.8400 1740765.6400 1396426.9800 1765893.4100 1479280.8300 1568249.8100 1660846.0100 1785139.1800 2032862.0400 1-Methyladenosine 1-Methyladenosine 45 40.7700 33.8200 72.4800 60.4200 40.7300 29.4900 42.9400 66.8200 94.6600 13.5900 12.8600 45.4700 21.0700 2.8600 112.0100 3.6700 4.7700 32.1800 68.1000 27.4000 86.7500 2.7500 1-Methylhistidine 1-Methylhistidine 23.9600 59.8600 70.5200 12.9800 86.6000 144.6000 125.1700 132.6800 21.1000 15.3000 146.9100 81.0600 94.3600 221.0800 294.4300 20.6700 85.7500 235.4600 83.9000 4322.7100 333.2300 268.8900 106.7800 164.0700 166.9900 2/3-Aminoisobutyric acid/Dimethylglycine 2430.2700 1936.8500 2981.5400 2764.1800 858 3797.9400 2676.2100 2202.4800 1315 3601.3300 1730.1400 2635.6100 1525.9100 1888.5000 2383.9800 4014.1500 3640.6000 5278.8000 6103.6100 2981.3200 2775.8300 1972.4800 3337.3500 3568.7300 2707.1500 2-Aminoadipic acid alpha-Aminoadipic acid 99.6900 60.1600 812.7100 213.7700 63.7300 46.1300 235.9400 54.9800 28.9800 14.2600 29.4500 39.8200 34.5300 60.1000 45.6200 78.3400 51.1000 16.0300 93.8100 140.7900 213.2900 90.0500 58.9300 32.8400 23.0800 2-Aminobutyric acid 2-Aminobutyric acid 4224.8500 3008.1000 2706.6600 3792.0600 2980.1400 3926.1000 4606.3800 2422.6300 3012.0100 5105.2300 4399.7400 3030.3700 3653.7000 3334.9500 4287.3300 5888.9500 3514.4000 7206.9000 5827.0300 3893.9700 3371.1600 2372.0300 4237.2300 4210.5500 3946.2800 2-Deoxyadenosine Deoxyadenosine 1093.7400 488.6800 1163.4400 1191.5300 1145.0500 1037 351.6300 417.8500 178.2300 4856.3500 3860.3600 3217.2500 4984.3900 4856.2800 4788.8900 3187.9200 615.4500 2324.8500 1690.8500 3832.2000 3164.5600 3201.0500 151.0900 0.8800 3.4200 2-Deoxycytidine Deoxycytidine 3631.1500 3533.0500 5697.3100 10268.9800 14745.3400 15675.8900 1242.4400 2199.3600 1469.2200 43988.3500 46504.3100 44178.5800 11309.4900 13655.7500 12654.4600 8562.7600 18193.6700 28985.5600 39484.6400 19525.5200 18538.5600 14967.4100 255.5200 124.5700 191.5600 2-deoxyguanosine Deoxyguanosine 5218.5700 5424.5500 1800.1800 3691.2900 3983.8300 1936.2600 1775.1700 1200.5100 1206.7900 25841.7700 24327.1800 34344.0200 6351.8300 14939.6200 16759.9500 14367.8300 4109.7500 7381.6600 10025.8400 15973.4700 17644.9100 11851.0500 257.8500 136.5600 158.0800 2-Deoxyuridine Deoxyuridine 76.1900 48.9900 86.9100 24.1500 31.8800 65.1400 309.1300 49.9300 239.7500 217.8800 62.6000 34.3900 6.6000 197.7700 28.2400 98.1200 266.3700 25.3300 93.9100 1.0300 5.0500 132.8600 78.4100 1.2800 108.3000 2-Phenylglycinol 21.0100 2.1100 65 58.1900 92.6100 95.1900 2.2700 18.6200 3.8900 3.3600 0.6000 46.0800 52.1100 18.1500 24.4800 15.9100 28.3600 8.4000 4.5900 6.2200 5.7400 5.1700 2-Pyrrolidinone 2-Pyrrolidinone 110.0400 366.2100 122.4500 253.8300 698.1500 108.5000 129.9400 36.1900 321.9400 238.6300 317.1700 168.4400 327.9000 83.0400 202.3200 177.4300 261.2200 299.3800 337.5200 340.8800 244 89.4300 97.6400 70.3400 136.1900 3-Aminobutyric acid 3-Aminobutyric acid 202.6900 90.4100 400.9400 201.0300 234.6700 314.7600 77.8700 288.8300 159.3800 316.3500 192.1200 117.3100 357.2000 268.1900 101.4700 353.8100 271.3800 462.2700 216.1500 355.9300 336.8600 121.3600 465.6100 36.1000 3-hydroxyanthranilic acid 3-Hydroxyanthranilic acid 171.5600 52.7300 70.3900 19.8200 13.9000 50.4100 40.2200 27.4800 55.4100 129.2300 50.2600 52.2600 36.0100 145.3200 79.1500 42.8500 91.0800 47.2600 31.9500 68.9100 144.6600 13.2000 21.0100 21.9800 35.7200 3-hydroxykynurenine Hydroxykynurenine 3683.9000 2380.9700 680.5900 3338.0400 1145.8700 800.9400 6343.8200 5846.0200 5044.9400 3955.9200 2809.0800 6405.3200 870.9900 6982.8800 4610.4200 5892.9900 481.0500 2994.7700 3167.5000 1882.1900 3580.6200 4162.0900 2410.8600 4316.4200 1165.9100 3-Indolepropionic acid 3-Indolepropionic acid 62.7200 5.4100 142.0700 34.1700 0.7200 54.0200 86.1100 39.2400 179.8700 85.7200 25.4100 87.6600 45.1100 38.1100 69.2800 125.5800 50.4800 58.3900 57.8100 8.0300 37.2700 36.2700 136.4000 38.8200 40.1600 3-Nitrotyrosine Nitrotyrosine 165.0600 115.0200 49.1200 167.8900 80.8300 27.4300 118.8800 86.5300 39.0100 169.3200 87.6000 41.4500 92.7200 134.6300 346.5700 69.5000 27.1500 17.2700 114.5200 79.1900 66.2500 14.8100 12.4000 43.8400 44.2200 4-Aminobutyric acid 4-Aminopentanoic acid 2498.1700 1751.5400 2183.6100 2177.5700 2703.5600 1339.3800 2154.3900 1467.7700 1208.6000 1458.1000 1684.6200 766.4500 1503.0800 2177.9500 2341.1200 2114.0300 1246.0500 1018.8400 802.5000 1931.5600 1660.0600 2152.6800 652.4300 1042.3200 1372.4600 4-Aminophenol 4-Aminophenol 169.5700 111.5100 199.1900 46.1000 203.9900 234.6200 191.1800 113.2300 188.7700 26.7800 86.9500 266.2700 116.4300 51.9200 27.8400 110.9500 29.6200 195.9200 82.7100 36.5800 29 164.6700 104.3600 29.6300 24.1400 4-Imidazoleacetic acid Imidazoleacetic acid 174.2800 177.8700 249 122.8600 71759.7500 110.5000 327.4300 81116.2700 115.9500 289.5400 211.0100 405.7500 147.9600 93.7800 109.8600 143.8100 207.4700 339.8200 871.7300 79.2800 232.5400 311.9300 291.0300 625.3200 113.8700 4-Pyridoxic acid 4-Pyridoxic acid 2534.0400 1899.8000 2283.5300 1986.2100 1979.1800 1600.4700 1626.9500 3752.4600 3174.1200 1503.1900 1703.5500 877.9400 903.9200 2276.0800 1499.7300 1916.4100 1421.2100 2138.4000 1162.6000 732.4800 1571.4400 1687.4400 973.8300 437.5600 1443.4100 5-Aminolevulinic acid 5-Amino-levulinic acid 474.3100 412.2600 461.0300 367.2100 748.6400 342.4400 312.5100 740.0700 1461.2800 423.7000 5-Hydroxytryptophan 5-Hydroxy-tryptophan 19.8400 120.4100 39.8600 52.7500 9.3200 127.8400 22.0900 7.5300 33.9400 33.0100 8.0600 36.1200 43.9100 63.8900 77.4500 50.6100 38.2500 73.7000 99.5100 109.4100 49.0900 240.7100 31.4100 77.0100 39.8400 5-Methylcytidine 5-Methylcytidine 356.7100 148.4500 511.5200 4.1000 2.7000 74.4400 54.8200 49.8000 135.6500 141.0700 52.1700 20.3800 50.7200 206.5500 11.4900 29.0900 80.0300 8.1000 30.1000 42.9100 84.2500 27.0200 56.7700 6-Hydroxynicotinic acid 6-Hydroxynicotinic acid 236.8900 201.4100 170.9300 2237.4400 122.2400 66.8300 98.4100 837.1300 270.1700 114.9900 170.5900 332.3800 146.8800 203.6300 506.6500 236.0800 117.6500 225.8000 175.3700 756.2300 158.9400 153.2100 611.7400 33.5000 279.7800 6-Methyl-DL-Tryptophan 68.8200 299.3500 48.4100 158.6500 48.8800 39.6900 454.3500 114.7100 276.5000 64.1900 88.6800 143.0500 40.1900 115.4700 57.9000 243.3100 111.7200 44.5100 65.8500 93 16.6000 60.3900 42.8400 50.0900 51.8300 Acetamide Acetamide 21722.5900 19661.5600 13030.8700 152276.9300 44947.6100 154782.9500 70999.8500 155327.3200 30565.7600 34887.2700 30293.2900 28612.3000 631387.5100 168498.6200 62776.1700 46272.8300 32985.2100 23907.4200 43954.1300 195730.0800 83210.8600 Acetohydroxamic acid Acetohydroxamic acid 885.1600 573.1500 754.7000 10016.7000 4260.7900 4470.4900 1098.3200 2017.1000 1024.2800 4003.1200 3717.2200 4193.7700 236.7200 440.9100 641.7000 684.4900 797.1200 1790.6200 1497.5700 456.8800 448.4900 527.6900 892.0100 4330.1400 1179.3100 Acetylcarnitine CAR 2:0 3839.8200 4745.1300 4471.3100 4628.8100 3299.2100 3706.1200 3087.6400 3495.5400 2583.1700 2306.2800 4086.6200 3598.3800 19990.6900 18491.3900 17761.9100 19773.0900 4246.1700 4241.8200 3222.4000 52064.7800 47306.9800 58007.4500 3479.6600 2892.0500 4552.1500 Acetylcholine Acetylcholine 112.1100 49.0100 108.1600 77.8600 109.7600 59.5400 59.4500 74.5000 81.1700 37.0800 101.1400 77.9300 49.3100 83.0900 72.9900 160.3200 497.2600 68.3200 171.8500 75.6900 45.1100 33.2700 118.7100 36.3500 76.0600 Acetyl-CoA Acetyl-CoA 69.8300 42.4100 1.5300 35.5100 26.2500 6.0900 33.9700 69.5700 1.6400 5.7100 15.5600 4.1900 7.1100 30.2700 6.4800 66.7500 104.9000 6.0100 22.0300 32.5700 0.0700 1.4800 62.6300 18.5100 Acetylcysteine N-Acetylcysteine 55.9100 103.0300 85.3100 292.9500 144.4900 92.6200 143.5200 131.6900 173.3400 140.0500 131.1600 104.3400 241.6200 134.4200 128.5500 76.4300 187.6800 144.6300 195.5700 222.5600 154.0400 131.5000 Acetylglucosamine 126.9600 118.2500 42.4700 65.0800 73.0500 63.6200 86.2400 57.4000 109.9200 120.6600 179.5900 71.0500 59.9700 25.6500 59.5500 14.1100 40.2200 45.9000 53.4000 18.1900 19.0600 184.5600 132.8000 66.6900 125.8900 Acetylglycine N-Acetylglycine 10.7800 42.3600 63.7500 38.9100 15.0900 34.5700 71.6800 32.7500 82.4200 7.8100 73.7600 68.2200 9.9900 48.4600 26.1200 14.5600 8.6100 37.9100 74 88.8900 27.8500 2.7700 8.9700 15.8200 22.5800 Acetyl-L-glutamine 27.8600 190.2600 63.0700 206.6500 265.4000 100.9200 187.3100 149.6000 255.5100 151.9200 388.8300 98.7400 48.1000 705.8400 943.4300 274.3900 20.1100 122.4100 140.0300 4971.3200 5253.4600 4022.0300 177.0500 80.5400 59.0700 Acetylornithine N-Acetylornithine 2507.2600 2680.1600 3013.3700 1817.4200 735.4800 3630.3100 3152.7500 3708.0400 2582.5300 2497.1300 2482.0700 1513.0700 1475.3900 2123.3100 2117.8700 1691.5500 1703.5300 4521.8900 4836.1100 8051.5600 7208.4000 5400.1400 1802.9700 1177.2900 2121.7000 Adenine Adenine 711.6900 1698.4200 706.0800 899.6900 1702.9500 418.1500 593.0300 1025.6600 1053.3900 2216.7000 1408.0500 2966.8300 2544.2300 2821.0500 3339.7200 3239.0400 995.6000 1072.0500 1547.1800 3314.1500 4066.4300 2909.3500 55.4500 581.8700 172.7900 Adenosine Adenosine 16000.3000 16834.0500 16607.1300 669.5600 281.9200 496.7700 10537.5700 10219.1100 10780.3800 5304.4200 3848.8000 3584.5100 14625.6700 21545.4800 21691.2100 16499.5800 3024.5500 5500.1700 4816.7800 18458.1200 27406.3400 22239.3700 513.7800 387.5900 302.5300 Adenosyl-L-homocysteine 49.8800 64.1400 12.4500 97.7900 83.3600 26 157.4000 50.9400 107.1500 50.0600 17.2500 23.6100 10.6400 2.1100 51.3300 49.1500 85.6300 112.6000 51.4300 16.4900 21.2400 1.3000 77.6900 69.2700 32.3100 Adenylosuccinate Adenylsuccinic acid 7.3100 24.6200 35.0200 0.9000 23.5200 15.0700 25.5900 69.8800 55.8000 42.6800 4.3300 131.3600 101.2600 3.6600 7.6700 78.2500 3.9800 114.5400 5.1300 66.9000 55.7700 4.2100 ADP ADP 462.6100 794.2800 2034.6300 1198.8300 128.3900 1998.0300 461.8700 1670.1400 348.7000 138.7000 124.5500 602.5900 2603.5000 316.3500 444.6900 1695.0500 1523.4100 595.9600 1074.7900 1819.3100 536.5700 719.9400 352.6900 56.4000 214.3100 ADP ribose ADP-ribose 211.5100 49.5800 84 358.3700 27.8500 420.4400 1048.7300 836.9000 553.9900 380.7100 66.7700 301.6400 174.8000 191.6300 110.3700 342.7300 67.2000 92.9900 107.6100 159.8000 101.7000 123.4400 65.7300 57.9600 100.4400 Agmatine Agmatine 54.1300 176.9600 84.2000 474.3900 227.2100 607.4200 301.4500 59.0100 155.5100 185.6700 157.1300 603.0900 37.9000 180.1300 1521.1100 91.3800 132.6800 125.9500 81.1900 287.7300 1270.0700 869.9900 1360.5800 178.0500 232.2800 Alanine Alanine 15715.9000 15520.6900 19469.1600 8614.6500 6999.1200 7406.1300 4462.3700 3157.8800 2938.3300 8027.2100 9133.0600 8887.9000 7108.7200 7151.4100 6246.2000 7504.9900 5709.8200 8499.3400 6563.0500 9222.0100 8132.6900 7332.9200 2614.9000 3403.8000 2389.5200 Allopurinol Allopurinol 1.7100 67.0800 13.9800 40.8200 137.2400 52.8000 26.8100 48.2800 86.0900 53.3400 33.9800 46.2900 46.2500 54.0700 0.6900 18.2200 70.2500 3.9900 28.7400 43.6500 Amiloride Amiloride 106.8200 152.4800 67.5400 266.2500 77.9500 55.2000 147.2000 175.7600 144.3000 116.1700 56.7500 35.0500 106.9300 245.6000 78.5100 291.0300 305.8000 370.8500 181 177.1900 206.0300 274.9500 171.2400 113.9100 72.8700 Amino valerate 219.3800 2524.5100 474 1227.1100 2155.3600 177.6000 348.0900 560.5300 877.0300 216.5200 1341.1200 937.1700 2804.5200 313.0200 355.8700 625.1500 90.6100 479.7300 2272.3600 1424.6900 414.7800 285.1900 140.1100 637.2200 AMP AMP 97691.6000 119471.3300 125116.9500 11748.1800 6028.8200 17932.2400 41202.2600 48882.0500 40019.1500 6788.2600 9422.7300 6353.7000 29834.9000 21343.9000 20569.8100 24287.2500 15594.3300 7863.7500 13549.6500 20965.9700 13175.9400 13737.6600 7289.9900 9191 12776.0500 Anthranilic acid 2-Aminobenzoic acid 126.8800 462.3400 132.1300 185.6500 270.0800 764.1700 565.4400 541.3900 593.3400 622.6000 476.1100 1033.3900 369.1600 831.7000 34.2100 766.5800 77.8800 146.3300 430.7500 394.6800 433.3800 41.7200 235.0600 412.3300 46.1100 Arginine Arginine 5764.5300 10095.2800 21724.9700 122.8900 3246.7900 711.9500 1179.0700 131.1700 1909.7300 4432.1100 12237.4000 7362.3200 173.1000 437.4200 202.6200 81.9800 5839.8200 187.7900 9190.2600 301.8200 832.0700 209.2600 86.5000 469.6200 833.4400 Asparagine Asparagine 23.9800 61.9200 47.6800 366.8100 106.6600 175.8400 141.6600 101.7200 100.3900 78.1600 123.6000 152.7300 134.6800 38.9500 142.4200 22.0700 22.2600 25.4100 133.3200 215.7500 563.6200 374.9400 136.1800 14.7700 89.8400 Aspartate Aspartic acid 1647.8600 1249.2700 2344.1400 2190.3000 1796 1193.2900 441.1300 424.5900 1456.5500 1434.3900 1580.9100 1691.7500 849.2300 984.4700 1301.4300 543.3700 491.6800 1345.0900 825.2500 1150 2201.0600 1195.8100 682.1200 396.7600 705.7800 ATP ATP 69.3200 67.8100 150.2100 40.6200 15.1900 43.7700 106.5900 43.6800 53.9100 65.6200 42.8800 20.3300 43.8200 97.4800 207.4500 118.0200 114.4700 34.3600 13.9000 78.7200 126.1600 61.9900 120.4800 23.1700 83.0400 Betaine Betaine 286026.7500 480086.8700 445096.0400 350926.8200 330045.2000 508223.7400 565159.2700 470318.2400 436662.9000 309358.4800 439871.3100 461594.8500 382783.8800 376623.0600 262745.7300 336156.0800 345525.9900 320610.5300 388580.8800 348244.2500 436577.2800 373622.0100 334779.2500 331361.9500 235566.1900 Biotin Biotin 675.3900 187.4500 250.5800 309.2400 426.7400 146.8300 1988.2500 3532.7800 1581.3800 498.9700 741.0800 363.3900 22.4700 1283.5000 2345.4300 2335.6700 283.3500 1182.1900 216.6100 254.1600 1062.3100 164.3300 143.4500 405.4700 561.0500 Cadaverine Cadaverine 25.1500 28.9100 94.5600 83.5100 39.0600 141.8800 20.4600 44.0100 24.9200 143.7700 111.1500 21.8200 23.0300 165.2400 24.7500 43.1200 9.5700 35.6300 51.0600 30.9700 120.6100 45.3800 5.3400 40.4400 141.9400 Caffeine Caffeine 22.7600 25.9800 8.7700 10.7100 48.7600 4.4600 76.3200 19.8500 8.3200 14.5400 44.8700 103.9400 20.5500 128.2800 3.2000 188.3500 78.1300 48.4600 61.8500 38.4500 94.4400 137.5500 24.7500 25.2100 3.4800 Carnitine Carnitine 4350.8000 4065.0300 5187.9900 4518.9300 2509.2100 5029.5900 3557.2700 4353.5000 2829.0900 4366.6700 4977.0400 4039.5400 3094.0400 3951.8400 4901.0600 5059.0100 5026.8100 3824.5100 5194.5700 4453.3200 3595.9900 2373.4700 3767.5700 2616.7000 3955.3900 Carnosine Carnosine 72.7700 54.2300 180.4000 126.0500 33.9000 26.9800 37.3100 37.4900 32.6600 34.1600 156.4600 364.1800 203.0300 30.7100 67.8100 18.0800 103.6600 18.9000 87.4600 52.5100 113.2000 11.8500 52.6000 45.6600 124.4800 cGMP 3',5' cyclic GMP 83807.3200 90062.8600 61887.6100 1627.7700 1945.0500 1033.7000 235761.7100 284382.8100 228063.6400 2144.7700 3965.5800 1793.1500 2957.9100 4347.4300 5600.1000 4468.0500 118.1500 59.3300 48.5300 757.9000 681.5400 1005.4700 23.8300 27.2800 47.9700 Choline Choline 6315.6400 6014.1600 5226.4200 3649.5700 4420.8000 3688.2200 2788.2600 2305.8500 3297.2000 2691.2300 5656.2300 2902.5800 1280.3100 608.1300 900.7200 590.4700 563.5400 793.9900 976.4500 407.2500 805.1200 1056.1300 876.5000 766.8900 1151.1800 Citrulline Citrulline 2203.1000 3034.3700 7402.1100 1223.1200 1268.8100 1347.7300 3504.6500 4634.3200 4196.6200 3246.3000 1879.1500 1220.0900 1201.2500 1483.6400 935.7800 1760.7200 1493.0600 1818.9500 2282.7600 4683.5200 6131.2600 6225.6000 471.3000 715.6300 327.8900 Creatine Creatine 2286.3100 1951.5400 2317.2200 3938.0300 1858.8200 2473.0800 1789.7600 2423.1500 1901.3800 3462.2900 4039.3400 1814.8400 2048.2500 2251.0700 2261.7100 4109.8100 1571.7800 3251.9200 1770.0500 2895.0900 2830.5900 2073.5000 2047.6500 2316.8000 1936.2100 Creatinine Creatinine 2185.8100 1203.8900 1720.8900 1285.5700 1169.1500 1852.8100 4153.2800 1169.3000 1229.0300 2387.2000 2150.0800 731.4900 1779.1600 1107.1600 1062.3600 1484.6500 2016.4700 1276.5800 814.1900 1371.1700 1344.7100 1428.7200 1417.9500 1342.8600 970.0300 Cystamine Cystamine 33.9800 88.9500 10.9900 29.1100 24.1200 69.4700 31.7200 67.8800 23.1900 42.0400 51.5400 71.6300 87.4500 37.8600 42.1900 21.8200 25.0700 92.6500 33.8800 13.8600 56.3900 17.8400 90.6400 Cysteine Cysteine 111.2500 65.3200 36.4500 35.6000 317.4200 67.1600 127.3200 205.3000 120.1500 144.9800 82.4300 67.5700 68.0300 258.3100 47.6900 357.2100 114.3200 113.6500 214.1200 67.9600 179.3700 44.9600 49.6000 196.4600 Cystine Cystine 0.5100 41.6800 58.6400 8.3100 10.2500 49.8900 32.9900 16.8100 65.8900 34.3900 10.7900 22.4600 125.2100 0.2700 6.6100 126.9700 55.4700 22.7700 39.3000 2.4800 2.9800 15.9500 84.8400 45.1400 37.0900 Cytidine Cytidine 21185.1400 24521.9800 26483.8200 1602.6900 1754.6600 1566.7200 5061.0100 5912.5700 5210.7700 15169.7700 14054.2600 11987.9000 6094.9100 4862.7500 4818.5900 4975.3400 1757.7000 2955.1000 3789.0900 13998.6200 12034.1400 12496.4500 199.2500 179.6100 285.4800 Cytosine Cytosine 5679.5600 6834.0200 4382.5700 13548.2000 10999.8600 13908.3700 4015.4400 5724.4700 4503.7400 44113.9700 34074.8700 41959.4400 24201.7500 27513.2200 24037.8700 19957.8800 23834.8400 37511.4300 47008.4100 28285.3200 23744.8400 22181.9000 541.0800 1263.1300 1263.8500 DCDP dCDP 22.5400 66.6000 38.0400 49.9000 25.2800 77.1400 197.5500 30.2800 171.5800 80.5100 86.3600 271.6000 10.6200 103.4300 73.6800 151.2000 17.8300 21.7700 36.4400 313.4900 17.3300 63.4100 83.5100 123.1500 212.9500 DCTP dCTP 1.1400 4.1000 62.2200 1.5800 2.5500 3.0900 1.5600 12.4000 5 2.8600 1.2900 1.2500 4.2100 17.8600 8.1800 3.1700 3.6000 18.2200 16.6500 53.3900 5.0700 1.6300 Decanoylcarnitine CAR 10:0 61.4400 1743.6900 63.4200 176.3900 1212.7400 214.3000 288.7700 712.6200 348.0600 588.3200 437.0700 788 42.7300 112.8000 702.5600 160.7300 754.2100 1293.8300 1312.4300 644.9700 248.7900 53.3700 354.6000 848.6800 780.1400 Dihydrofolic acid Dihydrofolic acid 76.7500 4.9400 1.9200 104.1400 23.1400 6.0200 66.1000 69.2800 65.4200 11.9600 46.7800 29.0200 44.2500 13.7600 178.7900 46.5000 17.7000 15.3100 0.7200 117.0100 94.9400 47.2300 Dihydroxyacetone Dihydroxyacetone 80525 102788.7400 107959.2000 87770.6100 76967.0700 128163.8400 200842.2000 217403.3900 235657.3800 85483.2200 69475.7900 82209.4100 169187.5300 196286.1400 171299.5200 166407.1200 68623.0100 84150.3900 70487.3000 71224.3300 122687.9200 85836.8800 93676.7600 105663.9000 109415.6000 Dimethylarginine Dimethylarginine 50.7000 2.3800 32.0600 3.5900 132.5900 154.0500 134.2100 37.6900 21.2600 164.1400 50.1300 42.4700 34.0300 2.8900 48.1800 53.7500 2.2500 89.5600 30.2500 11.9300 20.4100 76.4700 62 DOPA DOPA 25.2700 92.9300 57.3700 10.4900 20.5600 33.4600 34.3600 75.9900 81.8300 29.3800 46 50.9200 59.7500 101.7800 46.3300 40.6600 72.2500 125.9200 149.9200 46.4500 109.7300 34.5700 181.6500 52.8300 95.8100 Dopamine Dopamine 59.2700 84.2200 45.6100 46.5200 119.6100 281.4400 70.9700 169.6300 389.8300 150.3500 154.6300 159.1500 31.2500 149.1300 171.3300 39.5300 81.7200 227.8500 430.1200 200.4300 355.3700 130.3300 160.5100 145.5600 304.5500 dTMP dTMP 232.7000 48.1100 318.0200 48.1000 784.5300 49.4000 62.5800 52.2300 88.7300 112.1300 33.4400 135.5900 103.6000 473.1900 122.8900 711.1200 138.2900 74.2700 338.1100 84.6300 179.2900 45.1200 13.3300 15.1300 61.8800 dUTP dUTP 74.6100 48.0400 67.2300 13.4800 2.9600 86.3300 1.4900 107.7500 64.4300 132.8600 35.8600 18.3100 33.7600 25.0500 11.1300 11.4200 51.8200 22.4000 49.3300 51.2200 111.9800 88.2900 16.9200 42.7800 58.6100 Epinephrine Epinephrine 317.4900 849 213.5400 269.9900 464.9300 279.5100 268.1700 607.2700 436.1800 772.1600 496.9800 785.9100 39.7500 141.7300 416.0100 139.9000 289.9700 91.1000 149.2900 686.0200 228.0300 676.2600 163.4500 163.1400 378.5000 Folic acid Folic acid 25.7600 108.9800 1.5300 80.5300 2.8200 1.6700 3.4200 0.6300 23.7000 108.0700 46.2900 50.1200 53.8200 27.8200 77.6100 75.6500 119.5100 74.3100 65.3900 3.1400 15.9900 Folinic acid N5-Formyl-THF 4169.9300 2506.1900 59.3800 5161.8200 2289.3100 2312.1300 6643.4000 1697.1000 2927.6200 687.3300 462.5900 883.7300 30.9200 981.5900 2788.0100 1333.2800 362.1800 692.0500 1433.6700 411.8400 1071.6600 2653.0200 2387.4100 523.7600 7368.4200 GDP GDP 49.5600 40.3100 12.8300 61.4900 37.4800 179.6100 36.7600 37.7900 28.8000 1.6400 113.9000 69.9700 44.5400 6.7400 48.7200 13.7100 24.8800 49.0800 45.4100 117.9900 20.0500 17.6000 22.2800 91.3900 14.6500 Glucosamine Glucosamine 1168.5800 1461.3900 375.2900 1354.1300 917.8400 1281.7600 1205.5900 1233.9500 858.7800 1376.8200 810.7700 1246.8100 569.4300 1318.1300 1595.4800 1678.3300 1413.2800 855.4500 1700.2900 1517.3800 711.4700 1148.2500 1032.4400 1512.0900 1040.4400 Glucosamine 6-phosphate Glucosamine 6-phosphate 59.1400 118.6300 50.9300 2.0800 27.3500 22.8100 53.0600 31.9300 94.6600 108.7800 174.1200 174.6400 45.9700 73.1300 19.1600 25.1500 4.1100 86.6100 169.0800 604.3200 283.1400 33.5000 34.8700 7.2300 Glutamic acid Glutamic acid 23469.3500 18222.6500 20995.1500 8866.3100 6238.0200 10916.7500 11630.2500 12636.3400 12453.6900 6415.8000 6461.1400 5724.8500 10153.2800 6749.7600 6693.4400 8164.1100 4644.3600 6563.6000 4824.1400 7732.3500 6439.1100 8246.2400 2472.8400 1806.0400 1786.6200 Glutamine Glutamine 7001.2400 6654.8000 8466.1000 7977.5200 8643.0600 8301.7400 3941.0400 3729.8900 4448.3900 7718.7500 7787.0600 4698.3900 2877.6000 3019.4800 2460.7600 3056.0200 4781.6400 6710.6900 5035.6800 2514.7700 2586.5400 2488.2400 4236.7900 3198.5300 2438.1100 Glutathione oxidized Glutathione 58.7700 63.2200 2.6900 58.0200 54.4000 1.4600 124.3000 45.5700 55.1900 73.4300 108.8500 85.3600 3.1500 44.4700 17.8700 70.7800 82.2600 17.8900 198.5700 99.7100 27.5200 134.4400 51.4000 31.8800 73.9000 Glutathione reduced Glutathione 92.1000 133.9400 434.0900 267.5200 210.0900 443.2300 285.9600 78.9000 267.0600 163.7200 464.8000 267.7500 318.2800 56.1300 333.4200 95.1600 203.2400 50.4300 163.8300 91.2100 539.0200 126.0400 76.2100 83.4300 95.7300 Glycine Glycine 871.9200 611.6800 698.5600 3532.7900 2007.0600 2103.0300 733.7800 875.9800 345.4400 905.6100 1199.8800 1831.0900 213.9900 435.7900 297.8300 346.3000 683.5900 583.1400 847.8600 529.6000 190.2200 386.5700 3139.2000 1628.0500 151.4500 Glycocyamine Guanidoacetic acid 54620.0200 41292.1800 38728.6000 46065.3200 43772.7300 38518.5900 46739.8000 49510 49110.5800 44845.2900 52256.1000 52025.0800 51193.7100 56534.2300 55347.1100 47293.4400 54295.1000 52581.9900 48672.8800 45890.0300 47707.3600 51330.1000 58230.0500 57772.1200 51123.4300 Glycylproline Gly-Pro 276.7400 42.5900 16.9200 228.5700 466.1100 555.1400 294.5200 245.4700 89.9100 642.2400 286.3100 211.5100 49.8200 82.1600 126.5800 119.6900 213.0900 373.2200 254.9900 99.3800 187.2900 44.4600 62.1800 179.4700 74.7600 Guanine Guanine 5550.5400 5897.1400 4183.7500 5005.0200 7718.6800 4109.6000 2610.8000 3138.0200 2498.0400 22005.2300 24073.9300 26031.1200 12741.5200 13911.2700 14525.6900 12468.9900 6031.3500 11093.3300 12137.1000 18551.9700 11925.6200 16459.5800 370.9600 248.8300 344.7900 Guanosine Guanosine 47694.2100 40457.1700 40042.1400 865.3400 1039.6900 548.0500 12240.3700 14850.8700 10984.7600 11983.0200 9560.6500 12988.0200 13881.6900 11891.1200 12186.7700 13179.0600 2019.0200 3063.2500 2692.4900 18443.4200 21010.0300 15655.0700 84.0300 130.9900 91.7500 HIAA 159.2700 101.1100 213.4300 51.6800 64.2100 197.6100 78.4600 180.5100 59.5300 48.2900 102.5900 59.0100 126.8600 100.2400 76.2800 260.8800 26.7600 52.3700 229.7800 75.3100 268.9700 42.9600 92.6300 52.9300 175.5800 Hippuric acid Hippuric acid 26.3900 117.0100 0.7800 2.7200 64.2400 156.4400 27.9900 0.3800 14.3800 25.7500 1.0300 154.1700 31.9500 112.3100 39.7400 19.6100 77.2800 56.3700 16.8200 43.7600 9.7600 49.8700 52.9900 42.3000 89.1200 Histamine Histamine 172.0500 104.3100 138 715.8200 270.2300 1428.4600 579.5100 365.4200 177.5700 103.7200 266.7200 253.4800 838.7200 259.7700 128.7200 243.2100 389.0600 205.4600 67.4400 313.6200 91.7000 107.4100 441.9600 213.6700 47.2500 Histidine Histidine 37.9900 251.6000 111.7600 96.5600 21.7000 173.4600 232.8100 102.8800 72.5900 56.3500 78.5400 36.0500 101.2400 164.3800 85.4600 77.5400 44.3900 190.0200 151.8300 51.2400 52.9300 27.2700 26.2000 92.1000 145.2200 Homocysteine Homocysteine 47.5500 75.8900 132.7000 152.1000 35.0300 35.3100 145.1100 76.1300 107.9300 118.7800 309.3800 234.5000 142.3200 87.8200 20.1400 32.5800 77.5900 40.6900 103.6900 125.0500 23.3400 60.2600 83.6700 193.6700 204.7500 Homoserine/Threonine 19645.0300 19194.9200 22007.4200 11757.9900 13597.2700 10470.6900 6767.3000 6782.2800 5097.6400 13365.8300 14122.7800 13352.3900 4964.6100 9213.2700 7662.2700 7938.4700 9056.6200 12686.8400 10549.4500 8236.0900 11166.6900 7870.2100 8225.4400 5397.7500 4730.3600 Hydroxybutyryl coenzyme A 367.7200 472.8300 466.6200 262.1200 201.9800 309.2600 352.9900 261.8500 206.6700 204.2400 233.5200 186.1300 568.1000 147.4000 346.6700 166.1100 410.5600 320.5800 434.5600 Hydroxyproline Hydroxyproline 2175.9100 170.8200 360.3500 333.9700 174.7300 1924.3000 415.3100 650.6800 1627.9100 2582.0400 533.3600 302.4100 3060.1700 357.1300 245.3000 1289.3600 Hypoxanthine Hypoxanthine 229.6500 63.9200 82.2700 299.5000 89.1700 88.8400 47.9900 142.2400 19.0800 63.2300 302.3700 93.4800 354.4800 859.8500 304.9200 209.9900 240.4700 323.0200 563.4700 744.2100 523.5300 500.0600 23.9500 34.8100 61.7100 Imidazole Imidazole 45915.1200 41223.5100 63043.5500 34398.6900 44925.0300 42033.4700 47007.0600 37233.0700 43183.6700 33004.3000 55004.2300 49019.3100 19070.3400 14819.8200 13946.5200 16505.6700 28450.2300 33794.8700 19736.6200 23358.3400 22112.1500 13305.3000 859.3200 383.6600 1032.8500 Indole Indole 872.7400 5261.5900 4912.6000 721.1100 6063.6900 617.8900 4946.7000 1102.1100 9591.3800 5527.7500 3316.0500 9489.9200 1278.3900 1483.6400 3516.4600 4059.2900 2525.3800 551.5400 1017.1500 2585.1800 Indole-3-acetic acid Indoleacetic acid 1633.6400 197.5100 456.3600 629.7600 938.5700 436.9700 422.0800 225.3800 1155.3400 638.8700 35.6600 345.7200 541.6800 10268.7600 805.0500 1028.9500 223.0500 232.7700 256.4600 1341.7200 939.2400 13424.5700 379.1500 380.1800 528.8100 Indole-3-lactic acid Indole-3-lactic acid 109.7800 1061.6400 190.8300 45.9600 23.7100 51.4400 1394.2900 113.6200 77.3300 23.2600 19.9300 65.5100 394.6600 68.7100 73.3200 44.0800 46.0200 22.6000 248.0300 32.1000 43.4100 41.3000 74.2300 31.0700 136.9400 Indole-3-pyruvic acid Indolepyruvate 53.1500 44.0900 148.7400 108.9700 60.5500 131.9600 136.3700 211.8400 47.5400 183.0200 96.2700 66.3800 171.5800 97.1900 226.6800 48.9800 68.5300 146.9000 58.6500 97.1600 57.8200 59.7700 447.0500 116.8100 71.9800 Inosine Inosine 5664.3500 7031.5100 6214.3900 4765.3700 2516.5100 4055.3000 2101.3900 2127.0900 3817.6600 403.9400 1312.5800 1232.0100 4489.0400 3951.1100 3781.4800 4016.8900 685.3400 1380.8300 763.3900 12868.4800 9720.7400 10334.5000 527.9300 693.7700 245.0600 Isobutyryl-CoA Isobutyryl-CoA 7.8100 3.9900 164.2000 3.2400 3.7200 6.1900 12.9200 51.4600 1.2400 4.2000 5.9000 7.7200 3.2200 5.0500 5.1600 6.4300 11.4600 27.1600 4.1700 Isoleucine Isoleucine 1201173.7100 1167355.2600 1153627.7200 550173.6800 530585.4500 523196.3800 166324.4600 149369.8700 149197.7900 433189.8900 439777.5500 418858.0200 250790 282387.5900 247956.6000 255024 260607.8000 420477.2000 363200.8600 272527.2200 303461.4000 259031.7000 165620.7200 150235.5600 135924.9000 Isovalerylglycine Isovalerylglycine 56.6800 96.9000 105.4500 83.1100 43.7000 95.5800 12.0500 19.1100 60.3400 109 87.1800 157.7400 26.8800 6.3200 61.3300 18.6500 44.0900 120.6900 200.0100 81.7100 28.0100 59.1700 79.3500 190.9500 90.8500 Kynurenic acid Kynurenic acid 17.5800 23.2000 9.6500 405.0800 153.9400 206.5900 2.3400 22.5900 36.2200 110.3300 54.9900 161.2700 24.3800 122.9100 40.7100 7.8400 69.5800 123.5000 130.8000 8.5200 52.8800 148.6900 53.0200 20.0200 173.1100 Kynurenine Kynurenine 32.1300 17.1500 46.2300 120.3700 320.7500 10.5500 90.6400 155.8100 55.7900 396.0300 38.1600 266.9400 31.5300 51.8300 107.1800 59.8700 71.4200 125.9400 78.6800 99.1800 208.6200 15.2300 81.9400 43.2600 96.3200 L-Alloisoleucine/Leucine/Norleucine 1208707.4200 1188262.2700 1155385.6600 554152.0800 541103.0400 538644.3000 176152.9400 160536.7800 151617.5200 432849.8100 436582.6000 415401.4300 259989.7800 292119.7200 240907.1200 253804.9300 263847.7300 421911.3000 360148.9300 278736.7200 313290.7000 259167.2000 166919.8800 147744.1000 137245.2400 Lysine Lysine 145.8300 258.8300 156.7600 211.4800 419.0600 90.9200 144.4900 53.5600 144.9700 120.6200 349.4200 116.0800 177.9000 182.3000 243.7400 26.8900 192.5900 249.6200 188.1500 210.8400 104.9800 653.2900 313.8500 329.9900 126.4200 Melatonin Melatonin 24.1200 175.8000 81.4200 20.1100 154.2300 45.3200 6.0300 91.0600 339.2800 75.9800 138.3700 122.5900 12.1300 57.7300 52.9300 2159.3300 36.0300 69.6600 18.0100 99.9900 143.7400 114.9200 112.2500 202.8600 158.3200 Metanephrine L-Metanephrine 124.9300 62.6500 87.8600 45.9300 61.5900 200.3100 126.7300 242.0200 177.1200 186.1300 201.2700 137.0100 49.0800 91.0600 136.2500 97.1100 66.1300 80.1200 136.0400 131.3100 339.7900 169.3000 50.6500 305.4700 170.8200 Methionine Methionine 6134.2200 4932.4400 5823.5200 941.9800 1552.9600 1398.6900 842.1900 681.1000 597.9200 1043.0500 1577.6500 1715.1900 2312.5500 1059.9400 1044.7800 1005.4800 969.8100 2495.5800 1496.2000 1553.6900 2081.5600 1504.0100 645.1600 985.1600 1170.6100 Methylguanidine Methylguanidine 2759.2400 1284.9500 701.9100 768.0600 844.2800 488.6500 1051.9300 1646.5100 1532.3100 1247.0500 715.9200 1272.8100 2733.9500 1922.9400 1612.4300 2860.1200 2059.3300 3124.4800 2845.6200 907.4000 2300.6400 1930.7600 1680.7200 2077.4400 1304.5200 Methylhistamine Methylhistamine 164.5000 1144.3300 2107.7900 42.9200 30.7500 89.8500 86.0800 124.7700 144.3800 162.9200 155.6700 60.4100 51.8400 34.9800 223.0200 176.2800 31.8100 101.9600 70.9400 249.2000 78.6000 111.3400 102.4900 44.1400 221.6300 N-Acetyl-D-galactosamine N-Acetylgalactosamine 183.3400 49.6800 245.8600 268.3900 97.6400 63.9700 26.0800 20.2100 291.5000 84.9000 57.9200 126.9700 336.3700 94.2000 286.5100 140.1900 136.7100 103.7000 116.2900 60.9800 263.2700 162.5900 104.2700 92.7000 203.8800 N-Acetyl-D-Glucosamine N-Acetylglucosamine N-Acetylethanolamine 18.2000 77.9100 60.6800 23.5100 4.1200 63.4200 102.9200 1.7300 106.2000 20.7700 107.0100 25.8400 14.8800 37.4500 1.7100 24.7500 32.3800 20.5600 4.3400 52.9700 37.0300 77.4600 6.6700 54.5100 22.8400 N-Acetylneuraminic acid N-Acetylneuraminic acid 95.2500 5.1100 176.7200 290.8100 46.2000 147.7600 24.4000 72.2200 44.4500 109.3100 25.0900 18.0100 65.6600 17.6000 60.8600 78.3500 16.5000 102 145.6700 45.5600 78.6900 223.4100 116.5200 83.8100 32.5500 NAD NAD 1517.8900 1381.7200 1454.5200 122.2000 150.1400 145.5600 435.0100 50.7300 212.5400 134.6700 237.4700 101.0400 204.2900 113.8900 116.6600 259.1200 73.4700 178.3400 390.8000 89.9300 211.1500 19.9000 142.8100 369.5400 237.7100 NADH NADH 9.9600 40.2700 66.1500 85.8900 48.1600 114.9700 6.7700 80.6300 24.2100 236.5000 116.2300 74.1500 189.7600 96.9600 121.9600 150.5800 58.6100 104.8300 10.1600 70.9700 23.2300 80.8300 99.3100 58.1700 26.6400 NADP NADP 93.5300 3.1000 0.6300 55.2500 6.6300 1.8800 10.5000 3.9000 2.0300 43.3600 14.6800 4.3900 3.9400 3.3100 1.1200 0.4700 17.0500 5.5300 32.8600 3.9300 5.0400 1.7400 71.6800 NADPH NADPH 952.5800 1249.3100 23.7600 297.5100 772.1900 99.7900 958.7000 423.9400 364.7700 415.2300 571.5500 736.4600 114.9200 423.7000 371.4200 735.9900 745.6100 839.8800 391.8800 984.5500 2278.1200 1093.7400 762.9900 1092.9900 1574.9800 Neopterin Neopterin 155.1300 87.7900 57.2300 3818.1600 4203.0100 856.9400 4.6100 49.6600 72.7700 3521.5200 3891.8500 3636.7300 59.4800 118.2400 62.1100 198.8700 2159.8100 3605.6500 2513.8200 10.7000 182.9900 211.3800 223.0400 354.4200 117.6100 Nicotinamide Niacinamide 1453.4600 1434.1000 508.8900 448.2200 1327.9900 246.4400 2405.0800 1850.3800 934.0400 1280.5700 1057.3800 1020.8100 440.4700 908.1900 338.0400 255.4800 616.5900 703.2900 354.1600 513.5100 739.7100 205.1500 364.4200 277.4500 609.4600 Nicotinic acid Nicotinic acid 26.3300 48.2200 75.1500 56.9000 8.9200 60.3600 161.9900 115.3900 19.9300 134.6300 79.4000 155.7800 67.0900 43.9700 94.8600 17.7300 48.9500 90.4000 30.8500 34.4800 75.9200 75.0100 45.4300 111.3000 16.7900 Nicotinuric acid Nicotinuric acid 115.8700 62.7900 109.9400 84.0800 78.7200 90.0200 280.4000 123.4000 136.2000 39.2400 136.7400 164.1500 26.9300 165.6900 19.0600 165.6400 82.9800 104 38.3300 36.4300 97.7400 17.8200 7.3500 52.2200 42.9800 N_N-Dicyclohexylurea 106.4300 574.6000 485.7900 230.6500 76.9400 138.7100 387.3600 212.1200 328.1500 204.4400 286.6900 147.9700 298.9300 153.8200 202.3000 310.6600 49.7700 211.1000 183.7900 117.7300 61.0100 79.4400 120.5500 246.2200 590.2600 Normetanephrine Normetanephrine 274.9600 121.5100 467.4300 537.5800 314.8800 69.0500 763.5100 224.3800 406.5900 319.8800 223.2900 428.5700 113.0700 123.5500 38.8900 360.5500 581.2200 72.3000 736.9500 288.1600 691.6100 149.8300 222.5400 111.9000 Norvaline Norvaline 55565.8500 61917.2900 34794.1500 269080.0800 191070.5900 222822.3200 81663.3200 53205.1000 80969.6800 222040.1900 197215.5300 175592.2200 1584.6700 3388.9300 373.2300 3691.5600 1784.1600 2947.1300 2493.5500 3000.3900 1835.5600 3321.0100 2266.1900 2823.1400 1396.4100 Ornithine Ornithine 51.6000 145.0400 410.6600 102.4700 159.3300 152.1700 15.4100 124.1400 103.2100 252.4100 136.4300 71.2200 402.1100 121.6800 88.4400 112.3100 152.6400 72.8800 48.6200 156.5900 138.2500 82.7600 94.2000 146.8300 214.1700 Pantothenic acid Pantothenic acid 2773.9300 1047.8300 2237.4300 5126.3400 4566.4700 5176.6100 460.5000 918.4000 620.5800 5559.1000 5931.6400 5703.9600 4458.3500 4051.5300 5055.0100 5019.7900 7965.9600 11415.2300 13609.1900 7206.5700 7775.2900 6586.7300 3727.3200 3201.3600 2219.7700 Phenylalanine Phenylalanine 65315.1600 57038.7100 64333.4500 21120.5900 20356.6400 19079.1200 8884.6000 7542.9500 9423.5100 23296.0400 24220.5800 26829.8000 12541.3100 13834.6900 11119.7900 13621.4700 15301.6800 16072.1800 13307.3900 14368.7700 16473.2300 10817.8900 6546.1100 6665.7700 7189.5500 Phenylbutazone 19.8900 21.7500 225.2900 11.0100 2.0700 124.8400 122.7600 315.8100 270.0100 67.0800 38.7100 134.3200 33.1500 336.8900 253.0100 82.8600 13.6500 114.6000 72.3400 32.8600 23.0900 110.1200 266.2500 44.8800 306.1000 Phosphocreatine Phosphocreatine 498863.9700 511759.5100 213600.5900 537577.1300 168501.3600 578882.9500 479312.2100 441773.8200 510536.5600 540292.6200 365332.3700 215655.1500 487017.1500 215973.9100 395521.2700 495277.5800 314251.3100 514501.2200 211212.1300 199655.4400 160961.8500 509963.5300 334670.4600 260001.6900 247310.4200 Picolinic acid Picolinic acid 65.4400 154.9400 25.1500 102.8800 47.2100 27.5900 14.7700 31.0400 95.9100 61.0500 57.9400 86.0900 31.1800 83.3000 66.9100 110.1000 54.3000 17.0800 8.9400 67.0400 48.0200 6.4700 19.3500 11.9400 33.4200 Pipecolinic acid Pipecolic acid 1903.4200 2070.8500 3111.2000 2318.2700 1852.9600 2108.2600 785.4700 2234.9200 1328.1700 1362.4200 1986.1200 1620.6200 2005.0700 1649.4700 1307.8600 1191.8200 2387.3100 961.2500 1862.5800 2041.0300 2068.4200 1166.7400 2783.4300 1899.8400 1861.9500 Proline Proline 7681.3500 10292.5900 18580.1800 12188.0200 6023.3600 13408.1400 6359.5300 5338.2800 3468.1300 12094.1700 12636.7000 8328.3300 7547.7400 8428.3400 7029.7000 7489.0300 10094.1900 11376.9700 11505.7100 10210.2500 11203.0300 7059.7100 6087.1800 5772.3200 5369.8700 Propranolol 3.4200 63.8800 72.4500 14.0700 14.2900 112.1500 62.9700 51.9500 67.9900 11.4400 37.4600 68.9100 32.7800 46.4800 48.1300 48.4800 38.3200 91.7600 38.8900 182.4400 23.0900 36.1200 33.0400 73.2300 130.5600 Putrescine Putrescine 245.7200 198.5200 276.9700 13.8500 205.3400 109.2400 183.5600 364.9000 143.4500 243.1000 361 355.4500 302.2200 295.0700 157.2700 506.8200 243.0200 70.5500 65.2100 692.1400 350.3300 268.8100 56.7900 336.7300 51.7000 Pyridoxine Pyridoxine 538.7300 751.9800 46.5700 191.9500 196.9300 341.4200 245.9900 522.9600 337.8100 307.9200 340.8000 543.6300 57.3500 225.0500 339.2600 480.9400 357.5200 71.3300 598.7600 137.1300 74.4600 44.5300 1.1200 1.4400 Pyroglutamic acid Pyroglutamic acid 2692.6500 381.7100 1792.2100 429.2100 572.0200 949.7500 2887.9900 387 2578.7800 227.8000 5610.9500 1945.8200 272.9800 2687.4300 250.8700 2065.7400 2393.7000 686.1100 707.2600 397.0600 3361.0100 182.7200 1311.3200 2127.5200 2094.3300 Quinolinic acid Quinolinic acid 27546.5100 23475.7900 9124.7600 22783.0100 23342.4300 8799.5700 20923.3500 20861.1400 21415.2700 21157.7200 23333.2600 20318.2200 10060.4500 22211.7000 18639.5300 19381.9800 12080.9100 21185.2400 24560.6200 22898.7000 20821.2000 21218.1300 19958.2600 19857.1100 20834.2100 SAICAR SAICAR 27.0700 32.4600 92.8900 156.8700 84.3400 62.0700 23.1400 17.0800 16.3400 19.6900 5.6100 12.7000 6.3500 18.1100 49.4000 0.6500 1.0200 2.2100 9.9800 38.8700 36.0800 71.1100 12.9800 3.0100 4.1400 Sarcosine Sarcosine 16572.2400 13103.3400 17479.5200 7982.2300 6423.0400 7951.9000 3699.7700 4078.0700 3624.6600 8247.8400 6255.5600 9644.1500 6133.5100 6152.5300 4614.5000 6746.2300 6131.1400 8891.1800 7883.4700 8737.1900 9191.4400 7315.4800 2276.1600 2531.9100 2891.5600 Serine Serine 6406.4400 6069 13600.0800 10299.6000 6640.6000 10769.8600 4793.4300 4040.8600 2502.2500 11195.4700 11218.9000 8411.3400 3557.8400 5972.6000 5030.0200 4146.5800 7341.9100 8726.3300 6771.6500 4877.3400 7474 5036.4300 2883.3600 2231.0400 2009.7000 Serotonin Serotonin 113.0200 75.8400 43.4800 34.0800 66.8100 29.5600 293.0800 307.0600 72.4400 128.4500 50.3300 128.5100 48.5900 150.5000 33.8800 69.7100 41.4400 52.9400 39.2600 87.4800 61.4900 76.1500 95.1700 132.9400 80.7200 Siacar 27.0700 32.4600 92.8900 156.8700 84.3400 62.0700 23.1400 17.0800 16.3400 19.6900 5.6100 12.7000 6.3500 18.1100 49.4000 0.6500 1.0200 2.2100 9.9800 38.8700 36.0800 71.1100 12.9800 3.0100 4.1400 Spermidine Spermidine 6307.6000 5658.1000 3116.8100 6658.9100 7594.1500 6401.2400 6190.0900 5047.9600 7296.8000 8051.4500 6739.0900 8125.5200 9413.1200 17793.8300 14745.3500 11178.3500 19285.2300 10283.4300 8831.6600 7850.2300 9472.7100 8091.9600 19192.6700 14393.7100 9386.0400 Taurine Taurine 904.7000 606.2000 1203.6400 630.6400 464.3300 584.8700 1277.7500 804.0200 782.8200 895.4700 1142.9000 1153.0200 415.4000 669.1100 790.3500 674.6400 662.2800 1288.7700 751.8100 1784.8800 994.3000 1025.6800 586.3700 457.9200 866.2000 Tetracaine Tetracaine 115.8200 36.2700 1087.6800 34.5600 533.1300 154.4700 34.5600 69.3300 152.2300 90.5300 711.8200 7.3400 273.8300 114.5700 267.2100 108.9700 188.7600 321.3600 183.9000 503.3600 76.5400 316.2100 102.3400 3.2800 Threonine Threonine 20244.5100 19505 22460.4900 11949.2200 13539.2200 10428.5600 6836.3900 6643.5800 4986.1300 13328.3000 14053.4300 13476.7000 4926.6300 9240.7200 7777.1000 8070.2600 9026.7500 12926.7600 10578.0700 8455.7700 10943.5100 7790.3100 8439.9300 5397.7500 5370.0600 TMAO Trimethylamine N-oxide 186198.0300 150116.1600 125148.3400 2353705.4200 1179937.5000 957850.0200 329015.6600 501244.9500 283634.3900 919828.9800 982520.7200 1108744.8300 94708.8900 146609.5200 128181.6200 144631.8400 290193.8900 453081.1700 306741.2900 125692.2400 145530.9500 190421.5800 256663.5200 991323.8800 292756.4800 Tryptamine Tryptamine 269.2000 253.3000 46.5000 47.0100 11.2600 77.8300 12.3200 82.7700 1.1600 84.8400 97.6400 3.9800 126.0800 258.5400 7.2500 3.4800 59.0600 10.6800 78.6100 147.9800 164.6000 76.9400 57.3300 30.3400 176.2100 Tryptophan Tryptophan 3708.3800 2828.3300 584.6900 963.4900 704.7200 245.1700 146.3100 51.6900 887.1000 1535.4700 1483.1800 1384.8500 221.5300 397.8300 1336.8800 460.3300 201.5600 896.3700 617.4800 1011.4700 1253.7900 807.0500 223.7000 207.1900 117.3700 Tyrosine Tyrosine 2651 2226.3100 2918.1900 1703.8000 2544.0800 2152.1500 730.6600 939 527.3800 1536.8100 1251.4600 1163.8400 1207.5100 1261.9300 958.5900 1223.6100 321.0700 1717.3900 804.0500 722.9100 1325.8100 830.0100 799.4400 794.0600 558.4500 UDP-GlcNAc UDP-N-acetylglucosamine 546.9200 2190.3400 2013.9100 1600.6200 1086.4400 1675.7300 1237.6900 1802.0600 1047.3300 1195.7700 768.4200 1208.3700 2161.7600 1449.5700 1134.1500 1933.7700 2169.0200 656.4600 1898.4800 1292.0400 469.7300 2279.5200 910.7700 1000.3200 1753.5100 Uracil Uracil 7.6400 23.6900 12.1500 54.9600 8.3700 67.9000 29.0500 41.8100 5.8600 8.1100 29.2800 61.6700 103.4000 9.3400 5.5700 44.8500 17.9100 36.7000 42.3900 29.4100 11.0400 4.9200 Urate Uric acid 121.7600 174.2300 78.1800 31.2100 88.0500 99.8400 73.3200 189.2800 252.3900 51.7200 50.1700 99.6600 85.2600 261.9100 60.9300 44.8500 37.5300 26.5500 78.8400 86.6700 44.4300 84.8500 39.0400 80.7100 59.1800 Uridine Uridine 3061.6000 269.7000 476.4600 32.4500 88.7200 32.7100 89.1700 260.1200 121.0100 168.1900 228.8000 237.3000 151.4100 123.2200 128.6000 65.6200 61.7000 430.2700 40.7100 376.5500 189.9200 457.9300 39.6100 164.0300 91.9100 Urocanic acid Urocanic acid 12736.8300 13702.3400 67342.7000 29941.3300 14674.0900 32065.3200 15952.8500 14808.2300 12036.9600 26907.6500 31477.6600 21410.9200 10872.5400 10995.0400 9125.0300 8162.3900 16087.7100 16104.0600 18502.6700 13521.9600 17361.0800 6801.8800 16399.0400 14219.9900 9412.2600 Valine Valine 126410.8200 119622.6800 128326.9700 76904.0700 74704.5800 73583 18876.7700 21064.3800 14990.3600 48205.7900 49722.3400 56988.7700 81755.4200 79960.5000 59730.0300 88622.6600 95276.3000 142270.1800 100501.2500 136169.8600 133938.1500 85582.9500 37558 32010.2700 28605.8400 Xanthine Xanthine 48.6300 391.7600 841.2300 195.2400 133.3300 19.7800 108.2500 34.8500 194.7700 20.2700 155.4800 94.6600 113.8200 223.0800 65.0800 145.0300 131.3600 141.5200 56.5500 260.5900 17.4100 777.1300 69.8400 24.6400 154.6800 Xanthosine Xanthosine 806.5100 108.8300 607.1800 60.0400 37.9100 4.7500 264.2000 168.2300 59.7300 113.6000 267.2800 63.7100 177.4500 988.6900 584.2700 465.3500 5.3800 51.7200 8.8000 604.9500 530.5600 399.1600 20.7600 3.2800 Xanthurenic acid Xanthurenic acid 267.2800 160.4700 57.3700 71.8600 41.5900 25 9.2000 79.5100 16.7500 85.8300 13.3900 17.8300 12.9000 6.6000 151.8700 50.5300 66.1200 61.2100 59.0900 23.4800 19.5300 78.3700 70.8500 25.8200 69.8400