metabolite_name ms5370-1 ms5370-2 ms5370-3 ms5370-4 ms5370-5 ms5370-6 ms5370-7 ms5370-8 ms5370-9 ms5370-10 ms5370-11 ms5370-12 ms5370-13 ms5370-14 ms5370-15 ms5370-16 ms5370-17 ms5370-18 ms5370-19 ms5370-20 ms5370-21 ms5370-22 ms5370-23 ms5370-24 ms5370-25 ms5370-26 ms5370-27 ms5370-28 ms5370-29 ms5370-30 ms5370-31 ms5370-32 ms5370-33 ms5370-34 ms5370-35 ms5370-36 ms5370-37 ms5370-38 ms5370-39 ms5370-40 Histidine 104.5 113.6 264.6 227.9 167.5 101.4 213.6 95.6 135.3 127.1 131.6 134.6 80.4 159.0 180.3 93.1 64.1 60.4 89.7 79.5 193.0 143.1 133.0 144.2 111.9 250.8 135.4 131.6 119.2 69.4 119.4 154.9 94.0 202.5 87.7 81.0 95.2 140.9 137.5 108.2 Hydroxyproline 14.8 20.5 20.6 28.9 19.1 14.7 29.2 39.4 18.4 22.1 24.8 25.5 22.2 27.7 43.5 49.4 16.1 22.5 16.6 28.3 36.6 39.2 40.2 146.7 33.6 76.0 81.3 47.2 27.7 38.3 27.7 66.8 17.9 77.6 27.1 36.7 21.1 27.4 38.0 22.6 1-Methylhistidine 34.7 103.8 142.3 2.0 0.0 0.0 133.2 42.7 70.7 0.0 35.3 52.2 0.0 6.5 0.0 18.5 0.0 42.4 42.1 0.0 57.5 127.5 20.6 0.0 62.3 60.8 88.3 41.0 11.1 0.0 37.9 0.0 16.5 10.9 19.0 1.8 3.4 9.2 26.7 0.0 3-Methylhistidine 7.7 5.7 12.6 5.1 9.0 7.3 18.2 4.7 7.1 12.4 7.0 16.5 3.3 6.9 15.4 2.3 5.2 4.8 1.9 8.6 8.1 4.3 9.5 NF 4.4 8.0 12.4 7.0 8.9 4.9 5.4 8.3 6.9 5.2 9.6 4.1 11.0 5.2 5.5 0.8 Phosphoethanolamine 9.7 11.9 15.9 15.2 12.7 9.9 21.1 43.5 15.2 11.5 14.5 16.0 17.2 13.2 18.2 20.4 12.3 12.0 18.5 33.1 17.3 19.9 17.7 54.9 19.7 31.7 28.9 16.4 8.9 28.6 16.7 30.6 19.4 39.3 11.3 14.1 21.5 16.6 17.5 13.2 Carnosine 2775.1 3167.9 3193.7 4196.9 2613.4 1574.2 2385.6 1376.6 1116.6 741.3 1897.1 1831.9 1332.7 3507.1 5647.8 2611.0 764.5 735.2 1401.6 553.5 2335.8 2229.6 2488.5 2365.0 2278.2 3234.1 4275.4 2304.9 1439.3 683.7 1544.2 3437.7 952.3 1757.3 1437.7 1094.8 896.5 1236.0 2172.9 1228.4 Anserine 48.2 53.3 44.2 67.5 52.3 34.8 42.6 31.7 16.8 9.4 17.1 19.8 19.5 48.6 39.4 34.4 7.1 7.8 15.9 8.5 16.9 20.0 37.1 32.0 16.8 32.2 36.6 22.7 23.0 10.9 13.7 38.9 9.9 21.4 17.1 14.0 6.7 11.7 30.3 15.6 Ethanolamine 19.2 15.7 22.5 22.3 26.2 20.7 29.3 19.6 18.9 15.9 30.3 31.5 18.8 20.2 29.1 18.5 29.5 15.1 23.7 15.1 25.3 22.3 32.6 53.4 32.3 35.0 39.2 42.2 26.4 17.6 16.0 31.4 21.4 32.6 23.6 25.2 23.3 35.3 34.0 27.1 Aspartic Acid 67.7 65.7 70.4 66.1 87.5 37.4 120.3 189.3 25.2 25.5 34.7 39.7 26.6 22.6 72.9 123.2 27.0 36.1 41.9 60.1 70.0 107.7 78.7 129.5 80.7 112.4 66.5 69.4 80.4 125.3 40.5 86.0 20.1 66.9 80.3 65.1 37.9 91.3 25.0 22.6 Sarcosine 1.4 1.4 1.9 1.9 3.0 1.6 3.1 2.1 1.6 1.2 4.3 4.1 2.8 3.9 4.5 4.0 1.8 2.0 2.4 2.2 5.3 3.6 6.2 9.6 5.0 7.1 8.5 6.4 2.5 1.9 3.4 4.2 2.0 4.2 3.6 3.2 2.2 4.3 4.4 2.4 beta-Alanine 39.2 50.7 52.7 67.9 57.1 36.3 74.6 111.1 51.8 83.4 54.8 39.2 68.4 92.9 157.9 76.0 33.6 26.6 52.0 55.6 81.1 69.8 62.7 129.7 35.0 103.5 71.6 79.8 36.5 55.9 46.3 52.3 63.9 89.0 24.7 13.6 58.7 66.0 41.4 54.2 gamma-Amino-N-butyric-acid 1.6 0.7 1.2 1.0 1.4 0.6 1.9 11.2 1.1 0.4 0.7 1.0 1.2 0.5 0.9 1.4 0.4 0.5 0.5 1.1 0.6 1.5 1.1 2.7 0.9 1.7 1.7 1.3 1.1 5.6 0.7 1.7 1.4 3.7 1.3 2.3 0.6 0.9 2.2 1.0 alpha-Aminoadipic-acid 10.8 7.1 14.5 30.5 7.2 4.9 53.8 11.7 13.5 12.2 18.4 20.3 11.8 16.0 10.5 5.3 6.2 13.2 23.6 39.6 34.8 26.1 17.6 13.9 11.1 27.0 3.6 9.7 10.8 19.3 24.2 25.8 24.8 44.4 16.0 21.2 28.3 29.3 11.5 20.5 beta-Aminoisobutyric-acid 0.8 0.6 1.5 1.9 0.9 0.3 1.0 4.7 0.8 1.2 0.7 1.2 1.6 0.6 2.0 2.6 0.7 0.7 0.8 0.8 0.6 1.6 1.0 3.2 0.7 1.4 2.1 1.5 2.5 6.3 1.0 2.3 1.3 2.7 0.3 0.9 2.0 2.4 1.8 2.7 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 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 0.0 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 alpha-Amino-N-butyric-acid 19.3 25.6 17.2 17.2 30.1 17.8 36.2 84.0 12.4 8.3 26.8 25.9 18.9 22.5 44.6 63.1 12.4 12.1 24.3 24.8 52.6 43.1 40.5 57.6 36.4 65.9 56.6 52.6 33.2 39.0 23.6 65.2 24.3 48.8 28.1 21.9 28.4 37.4 39.4 28.2 Cystathionine 1 2.3 1.4 2.0 0.8 4.8 0.8 8.6 0.8 0.6 0.0 10.6 4.7 1.0 0.0 0.0 2.5 0.2 0.1 0.0 0.1 5.8 1.6 8.2 2.3 1.6 1.4 0.2 1.0 1.3 0.3 0.8 1.1 2.6 2.1 2.6 2.7 3.9 1.8 0.3 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Methionine 16.3 14.3 17.2 15.7 26.0 13.6 24.5 41.3 15.7 16.6 26.2 17.1 16.0 23.4 24.9 31.0 13.3 15.1 17.0 18.0 31.6 40.9 44.4 67.9 26.4 30.2 34.5 30.8 35.2 36.4 22.3 23.3 29.0 36.5 27.0 25.3 19.9 25.3 40.6 46.8 allo-Isoleucine 1.1 0.9 0.6 0.0 1.5 0.3 1.3 0.0 0.0 0.0 2.4 1.3 0.7 1.1 2.4 1.7 0.4 0.5 0.0 0.0 0.0 0.0 1.6 0.0 1.6 1.6 1.6 1.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 Homocystine 0.4 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Asparagine 135.8 109.6 95.3 105.1 120.2 83.4 180.6 221.2 92.6 83.0 161.9 130.8 93.1 98.3 145.2 146.3 76.6 101.8 141.6 140.1 179.5 161.8 194.0 287.3 133.8 210.3 139.9 156.1 167.7 180.7 120.6 218.2 138.5 217.7 135.6 125.6 107.7 158.5 200.2 231.4 Arginine 319.5 364.0 549.8 551.7 318.7 199.6 322.4 131.3 223.9 115.8 429.4 261.4 91.9 141.6 183.8 152.1 180.0 219.0 232.4 119.9 271.2 291.7 353.1 318.1 161.3 238.0 194.3 240.5 323.0 205.4 272.1 228.4 322.4 415.2 284.2 241.6 278.9 479.8 323.2 330.1 Taurine 3807.6 4395.3 4577.4 5475.9 3375.9 2971.8 5424.9 6274.0 3620.2 3661.3 4115.4 4032.6 3161.4 3654.8 6381.9 5429.2 2765.7 3164.0 4796.8 4781.0 5524.5 5626.5 3519.5 6201.7 5805.5 6758.2 7663.7 5853.0 3008.1 4118.4 3051.8 6625.7 3709.5 7280.3 3039.0 2346.1 6344.1 6909.3 8552.6 5367.7 Serine 155.9 176.1 120.9 199.2 119.2 101.2 246.3 444.9 126.5 173.5 198.5 154.3 156.8 206.1 158.9 216.4 88.8 116.2 177.4 246.1 319.1 336.1 224.3 427.8 158.1 289.3 140.1 151.9 169.3 236.3 175.0 344.9 196.1 359.2 189.9 186.4 185.7 274.2 346.4 344.5 Glutamine 9953.2 9168.1 10737.0 10435.5 11559.8 6802.0 11255.2 3880.7 10262.4 5866.4 8863.2 8335.1 4780.2 7309.8 9135.0 6076.2 5763.1 6278.0 7828.0 6773.4 10533.2 9982.0 10921.4 7956.1 10770.4 12941.6 11927.9 12901.2 6252.3 4083.2 8327.0 11250.6 8380.8 14246.3 8376.1 6047.6 9755.6 13998.4 14552.4 7752.3 Glycine 520.6 504.4 531.7 758.3 544.5 393.8 643.3 1119.7 867.5 769.6 543.8 550.9 603.7 764.0 700.5 776.4 379.0 379.2 1035.7 1163.6 803.1 711.7 662.8 1386.7 830.5 1256.3 957.0 779.2 612.9 736.1 454.2 919.6 559.5 1049.4 634.8 588.1 548.7 782.1 1424.1 890.8 Citrulline 28.5 27.7 48.5 33.0 88.7 25.3 63.9 10.6 264.7 82.4 299.9 314.1 67.4 142.6 244.7 187.7 63.8 69.9 38.5 36.5 105.3 100.7 250.4 172.3 159.6 201.4 370.2 356.1 149.8 65.5 140.0 66.5 62.0 60.3 191.3 82.1 145.7 215.5 77.4 60.0 Glutamic Acid 1726.9 1073.0 1774.1 1497.5 1192.7 611.7 2552.3 1598.8 1076.7 728.7 1304.8 1263.2 805.4 835.9 1574.7 1351.1 746.6 991.0 925.8 670.3 1681.5 1659.5 1727.6 2613.7 1129.7 1714.7 1930.6 1604.4 844.1 998.4 1022.1 1662.2 1450.2 1891.3 971.1 1057.4 1195.9 1571.0 2001.8 1705.6 Threonine 177.5 168.3 176.5 293.3 240.2 155.3 269.6 418.1 145.3 129.4 242.3 204.1 175.6 202.0 355.1 375.3 139.0 178.6 236.2 228.9 303.8 344.0 344.1 677.5 307.2 471.2 381.9 319.2 254.2 318.1 241.4 382.6 191.9 327.2 302.0 245.9 270.4 377.0 336.2 426.0 Alanine 1250.8 1516.8 1193.4 1461.8 1206.2 845.4 1914.7 1832.6 1177.3 833.3 1733.9 1416.1 1160.2 1335.5 2047.7 1802.9 813.8 1012.1 1579.4 1005.0 2476.1 2257.6 1917.5 2321.8 2355.5 2829.6 2947.9 2866.2 1616.8 1502.1 1384.7 2254.0 1445.7 2386.7 1460.8 1012.7 1738.7 2299.6 2271.8 1895.9 Proline 263.3 231.5 203.1 209.7 313.6 168.0 494.0 484.6 220.5 192.9 369.9 351.2 224.8 263.8 540.1 572.3 163.4 213.3 272.0 255.9 520.0 491.9 436.6 607.9 470.9 735.3 705.9 491.4 365.2 357.3 401.1 563.3 270.1 569.4 322.7 359.2 392.0 515.3 306.4 304.8 Ornithine 101.8 118.3 166.6 193.7 112.4 52.1 129.2 44.0 87.4 73.3 101.2 83.6 44.7 71.6 82.1 56.2 49.0 91.8 102.4 92.0 198.1 129.5 85.8 73.7 74.6 108.4 92.5 108.1 75.8 45.1 108.9 156.9 69.2 166.5 135.4 169.2 124.3 237.2 138.0 79.4 Lysine 732.2 870.7 1405.9 1369.4 749.5 477.0 1154.4 320.4 556.7 323.2 969.2 621.1 223.2 517.6 453.9 246.1 405.1 615.7 482.4 252.5 676.6 912.3 927.7 657.6 405.3 640.6 591.3 553.9 603.8 367.3 612.1 677.7 749.8 1143.0 492.9 547.0 762.0 1182.7 864.6 893.4 Cystine 0.1 0.0 0.2 0.0 0.1 0.1 0.0 0.2 0.0 0.4 0.1 0.0 0.3 0.0 0.0 0.0 0.2 0.0 0.0 0.3 0.0 0.0 0.1 0.2 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.1 0.0 0.0 Tyrosine 40.0 33.6 38.2 34.4 57.1 29.2 44.8 59.4 25.2 29.9 59.6 35.7 40.5 58.1 60.7 68.0 20.7 22.0 31.5 32.9 64.0 75.9 76.1 122.3 42.6 59.8 71.1 62.9 53.8 51.5 47.2 52.7 67.7 87.9 61.7 51.4 33.4 49.9 63.8 80.3 Valine 139.5 130.0 133.7 109.6 154.8 84.2 194.3 173.1 111.1 103.3 206.3 170.9 106.1 164.0 205.5 210.0 74.8 89.1 85.6 87.3 193.2 208.8 223.7 279.9 167.5 252.1 194.6 167.2 178.4 172.2 124.4 159.6 167.1 235.5 185.0 146.4 142.3 173.2 183.5 176.7 Isoleucine 28.7 29.3 31.0 20.9 41.5 16.5 51.4 53.1 22.5 24.1 48.0 28.6 19.0 30.6 38.4 38.8 19.3 21.2 18.4 21.1 41.4 57.0 64.8 77.0 28.8 42.1 37.9 34.9 45.9 52.3 27.1 31.3 44.5 50.6 42.4 36.3 25.6 35.3 43.7 67.1 Leucine 79.9 76.6 83.4 69.5 98.5 44.7 124.9 146.0 65.3 70.4 125.7 84.4 65.5 106.5 120.8 137.4 51.7 59.2 55.5 67.9 125.7 162.7 157.1 246.3 100.3 147.3 117.0 106.8 122.5 134.9 87.8 92.6 114.0 149.9 119.1 104.2 80.8 109.4 120.8 134.4 Phenylalanine 36.7 39.0 39.8 38.6 49.6 26.9 63.8 72.3 34.2 41.8 60.9 37.8 34.6 55.7 65.1 66.5 27.6 30.9 35.4 40.1 69.6 83.6 68.4 117.4 45.9 64.2 62.2 61.9 61.4 58.5 49.8 56.5 66.8 84.4 55.4 46.2 42.5 60.8 71.9 69.2 Tryptophan 7.9 8.4 10.3 9.4 11.5 6.8 12.7 15.3 8.1 8.1 13.1 8.6 8.0 14.3 13.8 13.0 6.2 6.5 7.9 9.0 16.6 21.6 19.0 25.2 9.7 14.3 17.1 15.7 13.7 13.4 12.5 12.5 12.8 19.5 14.1 10.7 10.3 16.5 16.4 13.7 metabolite_name Histidine Hydroxyproline 1-Methylhistidine 3-Methylhistidine Phosphoethanolamine Carnosine Anserine Ethanolamine Aspartic Acid Sarcosine beta-Alanine gamma-Amino-N-butyric-acid alpha-Aminoadipic-acid beta-Aminoisobutyric-acid Hydroxylysine 1 Hydroxylysine 2 alpha-Amino-N-butyric-acid Cystathionine 1 Cystathionine 2 Methionine allo-Isoleucine Homocystine Asparagine Arginine Taurine Serine Glutamine Glycine Citrulline Glutamic Acid Threonine Alanine Proline Ornithine Lysine Cystine Tyrosine Valine Isoleucine Leucine Phenylalanine Tryptophan