metabolite_name ms5942-1 ms5942-2 ms5942-3 ms5942-4 ms5942-5 ms5942-6 ms5942-7 ms5942-8 ms5942-9 ms5942-10 ms5942-11 ms5942-12 ms5942-13 ms5942-14 ms5942-15 ms5942-16 ms5942-17 ms5942-18 ms5942-19 ms5942-20 ms5942-21 ms5942-22 ms5942-23 ms5942-24 ms5942-25 ms5942-26 ms5942-27 ms5942-28 ms5942-29 ms5942-30 Histidine 67.4 111.8 147.0 96.1 97.6 124.1 104.0 82.2 156.0 82.6 89.1 145.5 109.4 95.6 90.2 72.8 120.4 146.8 157.0 138.3 167.0 132.4 132.9 121.6 198.3 123.2 158.2 116.3 181.1 131.7 Hydroxyproline 17.7 285.9 331.8 141.7 138.4 262.2 244.7 158.1 224.2 188.6 156.4 164.0 268.2 134.7 82.6 114.4 178.8 254.2 305.5 299.3 221.9 267.7 264.6 287.0 237.1 119.9 140.0 218.4 209.7 227.3 1-Methylhistidine 1.5 5.5 2.3 1.9 2.2 3.3 3.4 2.1 1.2 1.2 7.7 4.3 2.0 4.5 2.8 3.7 7.7 5.0 4.7 4.8 2.4 2.7 2.8 5.3 17.0 1.7 7.8 5.7 4.7 4.0 3-Methylhistidine 2.0 2.2 7.8 2.1 2.7 4.2 2.3 1.3 1.4 2.2 3.5 4.0 6.1 3.1 2.4 4.6 3.6 3.5 2.6 0.6 5.1 6.0 3.4 5.6 5.6 4.6 4.0 5.5 8.4 5.0 Asparagine 42.1 54.8 64.0 55.6 49.0 62.8 68.5 43.0 75.1 53.6 57.0 49.2 64.6 50.6 64.0 33.7 60.0 62.5 61.8 66.4 87.7 49.8 73.5 68.8 105.8 72.5 60.0 53.1 74.6 78.1 Phosphoethanolamine 3.1 5.2 5.3 5.7 5.5 4.8 4.9 5.1 6.8 5.2 5.5 5.9 7.0 6.0 3.7 6.0 5.4 6.7 7.0 8.9 38.7 16.9 15.8 15.4 33.5 20.3 16.5 18.7 16.8 31.5 Arginine 70.9 157.3 140.5 98.4 74.6 124.2 95.0 51.5 126.4 70.2 98.9 150.6 207.7 121.3 135.0 51.7 93.1 128.5 105.9 150.3 128.5 177.1 143.2 195.6 189.2 82.3 138.2 100.5 135.9 164.4 Carnosine 1142.1 1909.2 1618.5 2047.3 1598.4 2091.6 2324.7 1898.4 2008.3 1739.0 1458.5 1571.8 1977.1 2003.0 1490.7 1237.7 1986.2 2259.6 1998.6 2761.7 1331.8 1152.7 1364.2 1716.6 1765.2 935.9 1316.3 1304.3 1428.1 1014.6 Taurine 9344.2 11962.3 15132.5 13453.3 12309.9 13125.4 14943.6 11927.8 14208.1 11954.2 12507.8 10931.2 12443.4 14011.8 9892.2 6562.8 11375.3 11363.3 9728.9 15922.4 15846.4 11088.0 13306.8 16013.6 21328.6 10856.7 13729.8 10820.9 14928.4 12887.9 Anserine 1945.5 2352.9 2379.1 3283.0 2740.1 2890.1 2974.2 2668.3 2583.4 2580.9 2813.0 2170.0 2984.1 3517.0 2323.4 1301.2 2669.1 2588.4 2116.6 4298.3 1297.7 1004.5 1362.2 1459.4 2284.5 882.8 1404.6 1293.2 1653.2 798.2 Serine 105.0 248.5 274.6 190.1 186.0 209.5 232.1 132.5 235.2 168.3 232.2 192.3 226.4 189.4 178.0 112.6 204.4 232.9 230.2 281.1 261.4 159.0 231.2 183.8 296.9 155.5 190.2 161.6 206.3 197.0 Glutamine 552.3 1096.6 1187.0 992.2 1072.7 829.9 802.6 699.5 895.1 777.4 1093.2 1001.0 979.0 1164.5 624.1 451.0 919.7 827.4 932.8 889.1 1276.7 1047.2 1297.3 1051.4 1772.3 893.5 1057.0 839.1 1185.7 1347.9 Ethanolamine 16.8 18.3 41.3 16.4 18.3 20.1 35.0 19.4 24.9 16.6 16.8 21.3 17.9 18.5 11.7 10.1 20.1 22.8 17.5 21.8 31.6 16.9 24.0 17.2 32.6 19.6 21.8 17.1 25.2 27.1 Glycine 517.2 1888.2 2010.9 1549.3 1347.2 1925.9 1780.5 1426.0 1862.4 1459.9 1911.4 1294.1 1944.5 1855.3 1266.2 999.0 1715.2 1928.0 1908.3 1768.7 1867.7 1199.0 1952.5 1587.4 1982.7 1199.2 1241.2 1902.1 1742.8 2123.6 Aspartic Acid 52.7 38.4 52.0 59.6 40.4 95.2 93.1 40.7 96.9 55.2 77.1 68.9 68.0 95.0 48.8 40.9 93.3 79.2 90.7 78.1 162.4 92.5 103.0 96.6 165.2 90.0 102.9 52.8 121.1 129.5 Sarcosine -0.2 7.9 4.3 5.0 4.1 5.0 4.9 3.6 6.1 4.0 2.6 2.5 2.6 4.7 4.7 0.9 4.3 2.9 3.6 5.2 2.7 2.8 2.5 3.2 3.4 1.5 3.0 3.2 3.0 2.5 Citrulline 36.6 108.4 122.8 112.1 92.3 107.0 135.7 100.7 117.6 101.0 162.9 149.4 177.6 151.2 126.6 79.4 156.5 132.5 152.4 170.1 85.6 98.5 95.6 105.5 116.0 75.4 101.2 58.8 105.7 92.9 Glutamic Acid 248.6 215.5 323.2 456.8 301.1 404.9 406.7 488.6 553.2 495.0 469.1 390.1 372.5 490.3 159.8 278.9 431.0 481.9 417.4 501.9 774.8 474.9 549.2 553.0 904.9 514.3 534.0 377.9 685.6 739.0 beta-Alanine 55.0 71.7 89.2 45.3 34.8 68.0 75.1 51.2 61.3 48.5 30.8 36.0 71.2 50.0 24.8 31.5 42.4 74.4 68.7 89.4 48.9 53.5 44.3 58.9 51.4 27.3 39.9 32.5 43.9 37.5 Threonine 85.8 159.7 161.7 161.3 133.8 161.4 170.7 114.9 170.4 126.5 138.5 131.5 118.3 155.2 134.0 77.1 142.7 153.1 133.5 184.5 188.8 149.2 164.8 177.3 229.5 151.3 168.6 137.3 173.0 185.9 Alanine 724.8 1450.6 1496.8 1366.4 1292.7 1360.1 1366.0 935.3 1378.9 1121.3 1315.5 1138.6 1447.0 1462.3 830.4 738.7 1343.3 1269.5 1276.8 1640.2 1470.9 1285.6 1314.9 1356.0 1770.0 1072.9 1362.2 1036.8 1491.7 1390.6 gamma-Amino-N-butyric-acid 0.26 0.30 0.90 0.65 0.91 0.80 0.70 0.86 1.08 0.84 0.75 0.50 1.97 1.01 1.07 0.93 1.26 1.27 0.88 1.57 1.46 0.79 0.93 0.84 1.40 0.74 0.84 0.64 0.92 1.22 alpha-Aminoadipic-acid 0.4 1.0 0.5 1.5 1.1 0.5 0.5 1.3 1.9 0.7 0.5 0.9 0.5 0.5 0.1 0.1 0.7 0.7 0.3 2.4 4.4 1.9 2.1 2.1 2.8 2.1 1.2 1.8 2.0 6.2 beta-Aminoisobutyric-acid 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Proline 96.9 164.2 176.2 102.3 82.9 145.2 190.3 108.2 176.3 103.3 97.3 111.4 126.5 103.8 122.1 74.6 140.7 137.3 140.1 200.7 137.0 115.1 114.2 145.4 143.9 111.4 119.3 99.9 132.9 105.7 Hydroxylysine 1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Hydroxylysine 2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 0.1 0.1 0.1 0.0 0.1 0.1 0.2 0.1 0.2 alpha-Amino-N-butyric-acid 2.2 4.1 3.5 2.2 3.0 2.4 2.3 1.7 3.2 2.1 1.5 1.3 3.5 2.4 2.1 1.0 1.1 2.9 2.2 2.9 1.8 2.4 1.9 2.1 2.5 1.9 1.6 1.4 1.8 2.7 Ornithine 4.6 23.2 28.4 18.2 18.2 22.0 26.6 10.7 26.5 15.0 16.6 22.4 20.7 14.7 25.8 9.4 17.7 25.7 16.1 38.9 39.3 28.8 28.8 39.1 48.6 20.2 31.5 19.9 25.7 24.3 Cystathionine 1 1.4 4.6 6.9 2.8 2.4 3.6 6.3 3.0 6.6 2.3 3.4 4.3 4.5 2.6 1.6 1.7 3.4 3.9 2.5 7.4 6.4 3.3 4.0 4.9 7.2 2.9 2.7 1.8 4.6 3.9 Cystathionine 2 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Lysine 186.7 462.7 420.0 257.9 216.0 311.5 241.0 134.7 382.0 188.8 256.0 415.1 621.7 330.6 343.8 134.0 227.9 351.8 220.4 337.9 371.9 467.6 434.5 450.0 532.3 261.7 356.8 309.4 445.9 529.4 Cystine 7.3 7.8 11.4 9.7 9.1 8.9 7.8 10.3 11.8 8.4 7.5 9.0 8.8 8.4 13.1 6.5 7.4 8.9 10.2 11.9 27.5 14.7 15.1 16.2 20.7 22.2 15.3 15.0 15.2 24.2 Tyrosine 27.8 40.9 54.2 53.6 43.2 70.7 75.7 56.5 76.5 54.3 41.8 48.5 47.7 52.0 69.2 44.2 80.6 80.3 70.2 100.9 79.1 49.6 55.0 87.2 92.9 75.0 66.1 63.6 80.9 76.0 Methionine 34.7 35.9 42.0 47.4 35.6 46.7 52.2 31.0 44.2 31.6 35.9 41.7 36.2 40.7 44.7 27.1 50.5 52.3 45.0 61.1 68.0 48.9 58.1 74.6 78.2 50.6 61.5 44.4 55.5 47.2 Valine 70.8 98.9 125.9 102.2 92.5 117.0 125.8 101.6 145.3 90.7 85.4 83.9 100.2 88.6 96.1 62.2 96.9 103.2 100.0 142.3 152.1 93.8 110.1 116.2 161.8 106.9 108.7 77.9 123.3 111.4 Isoleucine 36.6 33.5 47.9 35.2 37.8 48.7 47.5 38.4 55.8 32.2 31.1 35.1 39.6 36.7 39.1 24.7 38.1 38.9 41.1 54.1 57.4 42.6 45.6 46.7 59.4 43.7 44.6 33.2 50.9 41.5 allo-Isoleucine 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.1 0.0 0.0 0.1 0.1 0.0 0.0 0.0 0.0 0.0 Homocystine 0.4 0.9 0.8 1.1 0.9 1.5 1.8 0.9 1.5 1.1 1.0 1.1 1.5 1.5 0.9 0.5 1.7 2.0 1.4 2.3 0.9 1.0 0.9 1.1 1.7 0.5 0.7 0.8 1.0 0.9 Leucine 65.0 62.3 82.1 63.4 66.6 75.6 84.7 62.0 91.8 51.3 63.4 75.2 73.9 64.1 64.7 41.8 67.3 67.6 69.5 100.2 145.2 97.5 108.5 116.2 159.0 96.4 97.8 67.1 101.2 94.7 Phenylalanine 33.8 38.1 45.6 41.0 39.5 51.9 56.7 44.9 59.2 40.6 36.0 45.1 42.1 38.3 40.1 31.3 52.5 56.8 49.8 77.1 77.5 47.4 54.1 63.6 81.9 59.5 64.2 48.0 62.6 62.5 Tryptophan 8.0 8.0 10.2 11.5 10.1 21.1 22.7 17.7 24.7 16.2 10.4 10.5 9.5 11.7 15.2 11.4 22.8 21.4 15.9 25.7 15.4 11.3 11.8 17.8 20.6 18.8 16.8 15.6 17.2 16.5 metabolite_name Histidine Hydroxyproline 1-Methylhistidine 3-Methylhistidine Asparagine Phosphoethanolamine Arginine Carnosine Taurine Anserine Serine Glutamine Ethanolamine Glycine Aspartic Acid Sarcosine Citrulline Glutamic Acid beta-Alanine Threonine Alanine gamma-Amino-N-butyric-acid alpha-Aminoadipic-acid beta-Aminoisobutyric-acid Proline Hydroxylysine 1 Hydroxylysine 2 alpha-Amino-N-butyric-acid Ornithine Cystathionine 1 Cystathionine 2 Lysine Cystine Tyrosine Methionine Valine Isoleucine allo-Isoleucine Homocystine Leucine Phenylalanine Tryptophan