metabolite_name ms5862-1 ms5862-2 ms5862-3 ms5862-4 ms5862-5 ms5862-6 ms5862-7 ms5862-8 ms5862-9 ms5862-10 ms5862-11 ms5862-12 ms5862-13 ms5862-14 ms5862-15 ms5862-16 ms5862-17 ms5862-18 ms5862-19 ms5862-20 ms5862-21 ms5862-22 ms5862-23 ms5862-24 ms5862-25 ms5862-26 ms5862-27 ms5862-28 ms5862-29 ms5862-30 Histidine 103.7 109.7 85.7 70.7 118.7 96.3 106.4 85.8 109.7 74.5 115.7 171.0 101.0 105.2 126.9 95.1 99.3 82.9 84.2 117.9 121.4 135.2 78.7 194.8 117.8 150.9 102.9 77.2 130.8 85.1 Hydroxyproline 73.0 87.6 81.0 64.3 110.6 79.0 84.8 66.3 139.1 66.6 87.3 129.8 101.1 85.1 113.0 48.4 109.5 43.9 56.8 50.1 101.1 76.1 77.1 90.9 92.3 73.9 78.8 81.9 198.7 119.2 1-Methylhistidine 4.3 3.5 1.5 1.7 11.6 8.2 4.7 2.3 9.5 5.7 4.2 7.5 2.9 2.1 4.8 2.0 2.3 3.3 1.7 7.2 2.4 7.0 2.3 8.6 3.9 2.3 4.6 1.7 3.0 2.2 3-Methylhistidine 5.8 3.9 3.5 4.5 8.8 6.1 3.6 4.0 5.8 4.8 5.2 6.2 4.4 3.1 8.2 3.3 2.9 4.7 5.6 2.9 5.7 5.5 4.2 4.3 6.6 2.5 3.0 4.6 8.3 3.5 Asparagine 48.0 40.8 35.4 32.3 54.7 40.6 49.2 39.7 42.4 30.2 54.4 56.5 44.0 51.5 53.5 31.8 41.9 40.5 38.2 42.6 45.6 50.8 33.7 72.8 51.2 56.6 45.5 38.1 56.5 36.7 Phosphoethanolamine 12.5 11.1 13.6 7.6 17.1 17.4 25.2 12.8 17.2 15.8 12.1 13.4 12.6 26.0 14.4 11.7 13.6 16.8 18.2 12.6 13.8 11.9 14.4 14.6 17.5 13.5 12.9 16.3 17.5 12.4 Arginine 88.0 126.8 77.7 77.4 104.4 85.5 86.6 79.1 93.0 92.0 89.8 169.1 98.7 75.9 193.0 67.8 125.0 67.0 81.3 133.7 100.9 93.7 91.5 272.4 135.4 148.5 71.4 111.3 192.6 130.3 Carnosine 1352.8 1195.1 1066.8 1304.0 1213.0 963.8 1086.7 923.5 1083.6 1023.6 1336.4 1373.7 1277.6 826.9 1205.0 700.7 1174.8 721.3 1004.7 873.3 1392.6 972.1 847.6 1362.4 983.4 1240.8 1241.0 1091.4 1193.0 1150.4 Taurine 10459.7 11611.0 9896.7 10278.8 11240.8 9994.7 11029.1 9812.5 10093.3 7420.7 12218.4 9135.9 11124.4 8574.6 12506.4 5489.8 9075.5 7085.2 10273.9 10336.3 11362.1 10027.4 7100.7 15894.1 9828.9 12848.9 9650.1 8807.8 11354.7 8383.6 Anserine 1463.5 1218.0 889.0 1320.1 1272.2 1050.0 1015.2 986.9 977.6 941.6 1431.4 1092.0 1348.4 689.7 1321.6 582.1 913.1 709.0 921.3 937.2 1225.6 877.0 703.5 1716.2 809.3 1253.5 952.7 694.4 958.0 758.2 Serine 124.3 139.8 112.5 96.3 134.5 103.2 133.7 103.1 107.9 94.3 159.4 158.3 142.2 168.2 142.5 71.5 107.4 87.5 90.4 160.5 151.6 151.6 100.7 195.3 120.3 170.6 108.9 102.2 157.3 107.4 Glutamine 697.0 828.4 768.8 620.1 807.7 756.6 1100.8 546.9 635.6 554.0 910.1 782.4 835.2 713.2 878.1 508.1 622.8 488.3 572.6 703.0 830.7 798.3 584.7 1201.8 664.5 954.2 697.8 566.9 838.4 595.6 Ethanolamine 16.9 12.1 12.0 12.5 14.7 15.9 16.9 14.6 13.4 19.2 12.7 14.3 12.7 13.1 12.2 8.4 12.8 13.6 13.4 15.1 17.0 13.8 7.8 24.0 13.6 21.2 14.3 11.4 13.2 9.4 Glycine 973.4 1113.4 1120.8 863.3 1307.4 937.6 1253.5 781.1 1352.7 835.8 1245.0 1335.9 1186.1 1178.1 1230.8 736.5 1091.3 677.7 775.3 858.7 1225.4 1138.0 849.2 1150.0 978.1 1117.0 814.1 887.2 1660.8 1114.5 Aspartic Acid 52.5 80.1 69.3 25.7 56.2 65.3 57.6 56.0 49.4 25.9 81.9 71.0 57.5 78.6 47.1 73.2 38.9 44.3 57.4 64.1 66.4 74.8 44.0 64.5 72.6 61.2 44.8 40.7 80.7 41.0 Sarcosine 2.1 3.2 2.6 2.0 2.2 2.1 2.9 1.0 2.9 1.6 1.7 3.8 2.2 2.7 2.6 1.0 2.7 0.9 1.2 2.6 1.9 3.1 1.6 3.8 1.7 1.9 1.7 1.3 3.7 2.6 Citrulline 50.9 79.0 73.4 51.4 69.1 60.5 70.2 47.6 57.8 45.3 68.3 90.0 69.2 56.1 80.4 39.8 51.4 34.0 49.1 60.3 79.0 69.2 39.0 90.9 49.8 71.9 48.0 43.6 73.7 60.0 Glutamic Acid 267.2 321.4 365.3 222.0 351.7 323.2 378.2 325.8 341.9 211.9 439.1 342.6 347.9 472.5 305.5 282.5 362.7 230.9 284.1 349.3 332.5 370.9 222.2 559.5 280.2 334.1 336.5 218.4 464.6 272.3 beta-Alanine 28.0 25.3 23.8 26.3 30.7 24.6 27.4 20.4 35.7 16.6 23.4 25.6 31.7 18.1 25.5 10.5 27.3 13.6 25.5 15.6 32.7 17.7 21.3 23.4 21.6 23.5 35.4 29.2 29.7 41.4 Threonine 95.9 115.4 104.2 82.4 129.2 91.5 112.2 79.2 99.3 80.2 125.8 140.9 103.1 123.8 140.7 66.2 103.5 71.6 79.6 100.4 135.3 109.6 73.7 144.3 120.9 126.0 103.7 99.3 156.7 101.9 Alanine 869.2 1146.3 903.5 831.6 1163.3 924.8 1038.6 882.9 874.3 596.9 1116.3 1246.8 1113.9 800.8 1339.6 666.1 1050.0 665.5 909.4 978.3 995.3 992.7 776.7 1664.4 1065.1 1026.7 825.7 725.2 1241.4 838.8 gamma-Amino-N-butyric-acid 0.78 0.71 0.84 0.85 0.97 0.94 1.23 1.38 1.08 0.44 1.20 0.93 1.30 0.82 1.40 0.53 1.05 0.80 0.93 1.19 0.87 1.05 0.64 1.76 0.77 1.41 0.77 0.68 1.23 0.68 alpha-Aminoadipic-acid 1.4 1.2 1.6 1.2 1.3 1.6 1.5 1.3 2.8 1.0 1.6 1.7 1.3 1.7 1.7 0.7 1.7 1.3 1.1 3.1 1.4 1.2 1.7 3.3 2.4 1.6 1.2 1.8 2.5 1.6 beta-Aminoisobutyric-acid 0.0 0.0 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.1 0.1 0.1 0.1 0.2 0.1 0.0 0.2 0.1 0.1 0.1 0.0 0.1 0.1 Proline 74.4 94.7 77.0 66.7 97.7 69.6 89.2 75.9 88.8 63.2 78.5 112.2 86.4 109.5 99.3 57.3 106.2 63.8 68.4 84.1 94.8 105.1 66.5 124.0 97.3 94.2 84.1 72.9 142.0 112.0 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 0.2 0.2 0.2 0.1 0.3 0.3 0.3 0.2 0.3 0.3 0.2 0.3 0.3 0.3 0.4 0.2 0.4 0.2 0.2 0.2 0.2 0.2 0.3 0.2 0.3 0.2 0.2 0.3 0.5 0.3 alpha-Amino-N-butyric-acid 1.0 1.8 1.6 1.0 1.8 1.2 1.4 1.0 1.4 0.9 1.5 2.4 1.6 1.8 2.2 1.0 2.2 1.1 1.0 1.3 1.7 1.9 1.2 1.9 1.8 1.4 1.4 1.4 2.1 1.6 Ornithine 15.8 27.6 15.3 14.8 14.8 16.4 14.5 17.4 14.6 16.9 18.2 24.0 21.0 32.2 30.5 8.8 18.9 10.8 12.8 26.9 16.6 23.1 13.1 25.9 12.9 17.9 12.5 14.0 21.3 17.6 Cystathionine 1 3.6 2.4 1.7 2.1 2.1 2.8 1.8 2.3 2.4 1.9 3.8 3.4 2.4 2.6 5.4 1.2 2.5 1.4 2.3 1.9 3.1 3.5 1.1 4.2 2.7 2.6 2.3 1.9 3.7 2.3 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 234.5 282.1 175.8 175.4 220.4 214.4 226.8 150.5 191.1 208.2 267.8 362.6 229.1 153.9 462.3 150.8 324.5 146.4 181.0 305.5 249.1 226.2 188.5 567.8 320.2 353.3 196.2 246.0 404.7 236.7 Cystine 13.6 11.0 12.6 9.3 14.3 11.3 10.7 11.9 20.3 11.5 12.5 13.7 11.5 18.5 13.6 10.5 13.6 18.6 14.2 11.8 11.4 16.5 9.0 12.4 17.6 17.0 12.6 11.0 20.3 10.6 Tyrosine 40.8 34.3 36.6 39.3 42.1 42.2 46.1 44.8 54.5 32.5 41.8 38.3 45.8 43.3 45.7 24.6 37.3 43.0 52.2 40.4 37.0 37.7 22.8 60.5 47.4 64.6 41.4 50.9 70.0 44.6 Methionine 27.7 35.0 29.5 21.7 38.3 28.8 32.8 26.5 34.9 23.8 29.4 46.9 29.8 37.4 42.5 15.9 31.1 25.6 29.5 28.4 37.0 35.7 19.1 52.7 40.3 40.9 32.8 31.6 46.9 33.8 Valine 89.7 74.2 69.0 56.7 85.8 69.3 90.4 80.0 93.6 55.5 69.8 89.7 76.7 90.0 85.4 52.4 73.2 73.7 72.9 76.5 73.1 82.3 40.7 107.5 77.9 104.3 81.0 79.2 110.2 74.3 Isoleucine 39.3 25.2 28.9 23.4 37.8 27.5 33.1 33.2 39.2 24.5 25.2 36.6 33.1 38.1 34.8 22.7 27.0 37.7 34.0 33.7 28.4 38.0 18.1 53.9 39.5 41.6 33.0 33.0 46.3 29.5 allo-Isoleucine 0.03 0.04 0.06 0.06 0.08 0.03 0.09 0.06 0.07 0.02 0.05 0.07 0.08 0.08 0.12 0.02 0.07 0.05 0.08 0.13 0.09 0.09 0.01 0.24 0.08 0.14 0.06 0.04 0.10 0.05 Homocystine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Leucine 80.6 65.9 67.4 48.7 79.0 69.0 73.2 68.3 90.5 52.6 64.0 87.5 75.8 92.6 94.3 42.0 64.4 70.9 71.3 74.9 72.0 83.5 49.4 127.5 85.8 87.3 66.1 62.8 100.8 64.8 Phenylalanine 54.8 39.3 40.1 38.1 54.0 50.0 50.5 47.8 61.4 36.5 40.5 52.1 44.4 49.2 52.6 25.1 42.0 47.9 49.1 46.8 39.8 40.0 26.0 75.6 52.1 56.3 41.9 46.1 59.9 44.3 Tryptophan 14.3 9.4 8.5 7.9 13.8 14.5 13.1 12.9 19.1 11.3 8.5 11.8 8.2 10.9 11.7 7.8 11.9 14.6 14.0 11.8 8.7 10.0 4.7 13.6 13.0 16.4 13.9 13.3 20.9 11.0 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