metabolite_name ms5630-1 ms5630-2 ms5630-3 ms5630-4 ms5630-5 ms5630-6 ms5630-7 ms5630-8 ms5630-9 ms5630-10 ms5630-11 ms5630-12 ms5630-13 ms5630-14 ms5630-15 ms5630-16 ms5630-17 ms5630-18 ms5630-19 ms5630-20 ms5630-21 ms5630-22 ms5630-23 ms5630-24 ms5630-25 ms5630-26 ms5630-27 ms5630-28 ms5630-29 ms5630-30 ms5630-31 ms5630-32 ms5630-33 ms5630-34 ms5630-35 ms5630-36 Histidine 127.7 99.9 129.2 132.3 154.6 222.2 215.3 140.7 189.9 180.7 285.4 161.8 104.5 116.9 112.8 92.5 122.1 110.2 107.2 166.7 88.3 100.9 70.7 75.0 26.6 47.6 53.4 43.0 40.4 27.9 54.2 57.6 46.3 50.8 33.9 30.2 1-Methylhistidine 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3-Methylhistidine 1.6 2.7 0.6 3.8 0.7 1.5 7.1 3.1 14.4 1.6 0.0 3.7 4.0 2.1 7.0 0.0 9.6 4.4 0.0 0.0 1.8 1.3 1.0 0.8 0.0 1.3 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.9 0.9 1.1 Asparagine 36.9 46.1 46.5 62.3 58.7 98.1 124.3 118.4 101.2 131.0 312.2 123.6 49.1 54.6 120.4 53.1 59.0 56.0 75.8 87.7 61.7 104.5 59.6 102.2 36.7 83.0 74.9 85.8 38.1 66.7 81.8 78.3 59.0 70.9 37.8 31.7 Phosphoethanolamine 6.0 5.5 4.3 6.2 5.3 6.6 19.2 15.4 19.8 19.5 36.7 25.6 6.4 8.7 25.3 5.6 5.0 6.2 7.3 5.5 4.0 8.6 5.3 15.9 5.5 7.3 6.3 5.4 6.1 5.7 9.5 5.1 6.1 11.3 6.9 5.2 Arginine 99.2 143.3 179.6 143.6 187.1 142.5 355.6 273.8 221.4 278.1 279.5 208.9 167.1 243.8 383.7 100.5 296.5 60.9 300.4 157.1 373.9 164.7 349.9 211.2 29.4 121.3 299.9 89.4 75.3 182.5 155.7 129.9 49.5 138.9 8.3 53.2 Carnosine 757.0 722.5 1185.9 740.5 686.7 552.8 325.4 270.7 232.0 242.7 275.4 189.8 212.0 244.4 111.1 266.1 199.9 220.8 286.6 241.8 403.2 153.2 298.6 396.0 389.2 296.1 724.6 357.1 382.6 442.0 72.9 241.7 117.0 159.8 366.7 175.6 Anserine 636.6 471.2 998.1 614.4 822.9 561.9 185.3 136.7 136.5 117.2 162.0 133.9 550.8 462.3 247.3 1054.1 482.6 782.7 528.5 480.9 510.2 332.2 447.4 467.9 597.4 741.0 1113.4 613.6 900.2 638.9 429.6 639.5 343.0 524.8 767.1 696.9 Ethanolamine 14.8 17.2 18.4 20.3 20.5 45.7 22.9 32.4 25.9 25.8 45.2 30.8 13.9 13.7 20.8 18.2 16.9 23.2 19.4 25.3 18.0 32.2 21.6 31.1 12.9 22.4 23.6 43.5 12.5 29.4 16.2 29.1 16.4 19.3 14.1 16.6 Aspartic Acid 154.3 190.8 176.0 141.0 187.2 161.8 234.5 160.2 180.8 263.4 376.8 337.9 170.8 156.9 245.5 220.1 140.2 121.6 145.9 178.9 189.6 142.6 185.4 140.8 173.5 349.2 252.1 219.2 339.7 294.7 147.1 58.3 97.3 196.7 185.3 196.9 Sarcosine 7.1 5.7 4.3 5.7 3.8 1.5 3.3 3.3 4.1 3.5 2.2 6.7 5.4 6.2 9.7 4.4 4.7 2.6 4.8 1.0 6.9 1.4 6.5 2.9 23.5 12.7 14.7 4.3 24.7 17.4 64.0 25.3 34.0 19.5 16.1 26.4 Citrulline 138.4 191.1 117.2 157.5 135.7 165.8 146.2 126.7 120.5 140.6 227.4 176.2 178.0 193.5 236.7 152.0 211.5 132.6 140.3 192.9 230.9 179.2 146.3 206.1 182.4 167.4 202.6 147.7 206.9 247.5 321.4 352.0 236.9 204.2 151.5 272.1 Glutamic Acid 222.3 383.0 332.1 207.5 306.5 183.6 1307.5 994.2 1308.2 1480.4 1902.5 1591.1 609.5 699.3 1425.5 189.2 560.5 650.8 745.4 498.2 524.7 710.7 499.7 843.0 1052.9 578.1 282.2 272.1 728.6 1046.2 1055.4 426.7 789.6 754.2 396.7 834.1 beta-alanine 11.0 10.0 7.4 9.6 6.5 2.8 6.2 5.8 7.2 6.0 4.1 11.4 9.5 11.0 15.5 7.4 8.5 4.7 8.0 1.9 13.3 2.7 10.6 5.5 40.5 21.1 24.1 7.1 46.2 29.6 108.8 47.6 61.2 35.5 27.7 51.6 Threonine 153.7 145.4 156.6 209.2 201.7 143.6 297.5 329.6 282.7 282.8 322.5 420.0 178.1 199.4 340.9 154.2 163.1 159.8 204.5 182.6 205.5 148.2 257.2 181.6 114.8 144.9 175.0 107.3 110.5 178.3 237.6 229.6 178.8 169.1 116.0 133.8 gamma-Amino-N-butyric-acid 0.1 0.3 0.8 0.5 0.1 0.9 3.1 5.3 8.2 5.3 8.8 7.3 0.0 0.6 2.9 0.7 0.7 0.1 0.6 1.4 0.8 4.8 0.6 2.8 0.2 0.9 0.0 2.3 0.0 1.1 1.6 1.1 2.2 0.5 2.8 0.7 alpha-Aminoadipic-acid 1.4 1.6 2.1 2.4 1.8 1.2 9.3 6.0 6.8 6.7 4.7 11.8 2.1 3.4 6.7 1.9 2.0 1.5 3.5 2.3 4.7 5.0 4.0 2.1 4.4 3.2 1.2 1.8 5.0 4.5 5.5 3.1 5.0 3.0 1.4 3.1 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 0.1 0.1 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 0.3 0.0 0.0 0.0 Proline 0.1 0.3 0.8 0.5 0.1 0.9 3.1 5.3 8.2 5.3 8.8 7.3 0.0 0.6 2.9 0.7 0.7 0.1 0.6 1.4 0.8 4.8 0.6 2.8 0.2 0.9 0.0 2.3 0.0 1.1 1.6 1.1 2.2 0.5 2.8 0.7 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 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 alpha-Amino-N-butyric-acid 2.8 1.7 1.8 2.6 1.3 1.6 2.8 2.2 3.1 3.0 3.8 7.2 2.1 3.0 2.5 4.7 1.5 1.6 1.6 2.3 2.9 2.0 2.3 2.6 10.2 3.2 3.4 6.8 19.5 6.9 12.1 0.9 10.2 6.0 5.5 15.3 Ornithine 24.9 23.2 25.7 30.0 29.2 10.3 92.4 84.9 59.1 55.8 88.9 72.2 23.9 24.1 72.5 13.3 16.9 13.2 27.1 37.3 20.6 15.2 39.8 25.5 10.7 5.7 13.1 13.3 25.1 33.7 14.6 1.1 16.9 18.3 11.6 12.4 Cystathionine 1 0.0 2.9 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 21.3 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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 Lysine 152.4 234.4 338.9 306.1 312.5 255.2 791.9 767.3 598.1 435.5 413.8 584.1 243.0 282.9 825.4 181.5 513.7 179.7 620.9 646.4 992.4 459.9 1134.5 339.6 90.6 248.0 427.6 187.2 109.7 311.2 318.7 270.5 213.8 203.1 86.6 120.0 Cystine 13.3 24.0 26.1 24.8 19.7 14.1 35.5 40.3 30.3 47.3 44.5 33.2 28.4 19.2 45.7 20.3 35.0 18.4 40.5 11.1 28.1 22.1 19.0 34.4 25.3 17.6 28.4 23.4 17.4 16.3 57.4 27.3 15.5 39.6 10.6 6.4 Tyrosine 54.7 53.0 55.9 52.5 53.7 98.0 78.9 87.0 72.9 84.0 180.4 110.7 74.2 71.6 111.9 51.0 59.8 66.0 71.4 89.2 46.4 98.7 53.6 123.5 58.6 64.5 68.6 60.0 64.2 131.8 153.0 75.9 53.1 92.7 62.7 60.7 Methionine 39.7 38.1 45.0 52.5 39.5 37.2 66.9 50.6 54.9 53.7 82.2 73.0 64.3 70.9 87.3 58.1 63.9 51.3 71.3 40.5 53.3 53.5 52.4 58.4 37.0 59.8 45.0 41.2 50.1 70.5 85.0 82.4 72.0 64.8 51.2 56.5 Valine 129.7 118.4 120.9 147.7 138.0 127.8 184.4 199.0 174.1 188.9 207.6 169.3 121.7 148.7 262.1 160.0 161.7 164.6 153.7 167.0 176.4 142.7 192.7 165.8 382.0 277.3 181.9 302.4 351.1 593.4 335.3 501.9 466.3 314.2 318.5 286.9 Isoleucine 39.9 53.5 55.9 65.6 48.4 51.6 96.2 109.1 96.6 101.6 93.5 75.4 54.5 65.7 102.0 84.7 76.1 73.2 81.2 44.7 64.1 62.1 50.1 71.9 123.9 126.6 90.7 137.3 146.9 254.6 156.9 140.4 146.7 165.9 128.8 105.8 allo-Isoleucine 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Homocystine 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.1 0.0 0.0 0.0 0.0 0.0 0.0 2.0 0.0 0.0 0.0 0.0 0.0 0.8 0.0 0.0 Leucine 89.4 93.7 103.7 121.5 108.9 106.6 183.8 191.4 183.0 188.2 190.6 159.3 94.4 123.6 247.6 154.7 146.2 149.1 162.0 118.0 131.6 129.8 161.9 137.9 231.7 217.7 155.8 219.3 272.1 482.2 311.3 389.8 290.3 287.5 225.4 190.1 Phenylalanine 52.1 56.7 57.1 70.2 67.7 90.1 91.6 97.3 87.5 93.9 141.1 95.5 60.3 67.8 120.5 71.4 82.3 85.2 84.1 87.2 57.2 76.2 77.1 84.0 48.3 85.5 73.7 65.2 53.6 95.5 92.2 115.6 72.9 84.5 60.7 54.1 Tryptophan 10.4 13.9 15.2 14.7 16.5 20.3 28.4 30.4 23.8 25.1 51.0 26.5 16.8 16.0 27.6 14.5 16.7 17.7 17.6 17.1 14.7 18.4 12.7 26.8 14.3 19.6 14.7 18.8 16.3 20.3 24.2 19.3 16.6 21.7 16.4 17.5 Hydroxyproline 289.4 408.3 281.9 401.7 206.8 183.8 278.8 255.1 238.6 201.6 155.1 422.9 416.9 398.9 542.2 382.5 276.4 330.4 372.5 337.5 679.2 296.9 630.5 395.3 136.3 71.4 184.8 194.5 133.4 116.9 486.4 173.6 100.7 692.1 501.6 481.8 Taurine 15741.3 15601.7 14685.1 14517.0 14772.9 14857.4 14503.9 14278.0 14466.9 14081.4 17367.4 14063.6 14430.0 15588.7 14272.2 15292.8 16185.9 16557.0 14700.5 15666.4 16577.6 16757.8 15435.0 14434.3 15670.0 15285.1 16506.4 16160.9 13611.2 18371.5 18277.1 17861.6 18054.3 18761.3 16571.0 18180.0 Serine 140.3 162.0 193.9 272.7 232.6 263.6 452.4 480.1 451.1 416.9 887.4 673.5 185.6 211.4 370.6 192.1 213.7 179.0 272.6 370.0 255.6 312.9 264.7 347.7 153.0 218.3 274.1 236.6 148.8 211.1 285.6 249.7 163.8 235.7 149.6 125.6 Glutamine 893.2 928.0 987.3 1074.1 1193.5 1475.6 2282.3 1959.2 1735.9 2129.8 3404.1 1944.3 1008.6 1250.5 1531.2 1076.0 1452.0 1148.9 1511.7 2075.2 1606.9 2141.1 1366.4 2103.7 983.7 1430.9 1411.1 1369.5 912.0 862.2 1413.2 1438.8 1180.4 1727.1 1075.5 1091.8 Glycine 1155.4 1378.0 1388.8 1654.6 1221.7 1290.3 2673.9 2329.9 2555.1 2330.0 3183.4 2985.1 1221.9 1349.2 2756.8 1154.1 1225.9 955.6 1711.1 1741.9 1663.5 1809.0 1729.1 1859.5 1393.5 908.2 1707.2 1549.2 844.4 1243.6 1970.1 1562.6 1987.4 1680.6 1022.2 1273.8 Alanine 1338.9 1203.5 1310.9 1727.2 1518.6 1222.3 1734.8 1864.0 1879.2 1937.3 2161.2 2246.3 1050.9 1174.5 1742.0 1596.3 1629.8 1336.6 1389.8 1635.4 1507.7 1352.8 1372.6 1220.6 760.0 1048.2 1713.0 1422.6 1099.9 1200.6 1385.0 914.8 967.9 1939.3 1455.8 1370.1 metabolite_name Histidine 1-Methylhistidine 3-Methylhistidine Asparagine Phosphoethanolamine Arginine Carnosine Anserine Ethanolamine Aspartic Acid Sarcosine Citrulline Glutamic Acid beta-alanine Threonine 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 Hydroxyproline Taurine Serine Glutamine Glycine Alanine