metabolite_name ms5475-1 ms5475-2 ms5475-3 ms5475-4 ms5475-5 ms5475-6 ms5475-7 ms5475-8 ms5475-9 ms5475-10 ms5475-11 ms5475-12 ms5475-13 ms5475-14 ms5475-15 ms5475-16 ms5475-17 ms5475-18 ms5475-19 ms5475-20 ms5475-21 ms5475-22 ms5475-23 ms5475-24 ms5475-25 ms5475-26 ms5475-27 ms5475-28 ms5475-29 ms5475-30 ms5475-31 ms5475-32 ms5475-33 ms5475-34 ms5475-35 ms5475-36 ms5475-37 ms5475-38 ms5475-39 ms5475-40 ms5475-41 ms5475-42 ms5475-43 ms5475-44 ms5475-45 ms5475-46 Histidine 135.2 120.7 181.3 137.4 99.5 127.8 152.3 127.9 120.1 150.0 100.0 118.0 137.7 114.3 118.8 90.6 127.8 165.4 75.3 85.4 100.6 95.7 72.6 61.8 101.6 85.6 99.7 97.6 70.5 69.1 100.4 108.6 106.6 130.2 141.3 84.7 114.5 117.5 78.2 135.2 85.6 70.0 75.5 75.6 101.2 103.2 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3-Methylhistidine' 0.7 1.0 3.3 0.5 2.0 1.2 3.6 2.7 8.1 9.9 0.5 10.5 0.0 1.7 2.5 2.1 1.3 0.0 0.5 0.0 2.4 1.4 0.6 3.7 5.1 3.4 1.2 4.1 4.3 1.9 4.1 0.9 1.8 1.8 3.3 0.7 7.9 0.8 4.9 0.6 0.7 6.4 2.3 0.0 2.3 1.1 Asparagine 35.4 65.4 52.6 87.4 68.7 89.7 88.7 100.4 149.6 137.3 94.4 115.7 126.8 95.7 129.5 70.2 142.5 186.0 74.5 73.9 101.3 79.4 70.6 61.4 56.1 57.9 57.2 57.7 69.6 46.0 109.3 136.3 146.6 162.7 131.7 115.2 129.7 151.8 76.8 148.4 66.7 57.4 60.3 69.7 82.0 78.1 Phosphoethanolamine 8.5 9.0 8.8 7.3 9.0 8.6 12.3 25.2 36.1 30.8 24.6 28.8 37.2 11.7 27.7 21.0 17.4 34.1 5.9 8.1 5.6 6.1 9.9 7.7 7.1 7.4 11.6 13.0 9.2 8.3 24.8 53.5 29.9 35.0 39.0 17.8 22.3 12.1 16.1 18.5 19.5 7.6 8.1 8.0 8.4 8.1 Arginine 344.6 238.5 352.8 132.4 285.1 128.9 101.7 289.0 194.9 201.0 271.1 178.6 185.6 172.9 203.1 238.8 131.4 124.2 139.9 129.1 148.7 149.3 163.9 254.4 198.1 239.3 269.1 286.4 180.5 259.3 284.4 266.8 168.3 325.3 294.6 241.8 139.3 146.6 153.4 116.8 168.3 72.1 68.6 150.6 140.9 108.8 Carnosine 1144.2 1741.7 1246.3 1237.6 1488.1 1470.5 1363.3 337.9 352.7 287.8 304.5 252.1 212.8 829.2 770.7 649.7 816.7 651.9 1239.3 1607.1 919.9 1150.9 1450.0 1219.6 1177.9 897.9 893.6 901.4 1030.0 1490.8 308.7 210.6 328.0 320.5 226.0 367.2 662.4 946.6 682.5 751.9 791.7 1038.7 1098.6 1187.6 1077.4 1132.4 Anserine 1376.4 2014.4 1366.0 1471.6 1207.5 1207.5 1088.2 236.9 306.7 208.1 256.1 170.5 113.5 691.0 657.0 412.1 717.0 551.8 1944.5 2342.9 1788.4 1735.7 2071.1 1146.2 1043.2 1047.9 1047.1 975.6 961.5 1105.0 175.7 136.8 179.3 226.7 189.0 224.1 562.7 805.6 412.6 595.4 744.7 1839.6 1895.0 1615.7 1865.7 1891.5 Ethanolamine 18.9 21.6 18.8 30.8 26.9 36.5 39.2 25.0 26.8 31.1 25.6 26.2 26.5 42.0 26.1 26.8 32.1 32.3 20.7 35.0 38.1 27.0 42.9 23.3 18.0 18.3 21.9 24.1 30.9 25.2 23.0 27.6 28.0 25.0 22.3 16.8 41.0 40.1 28.4 33.4 16.3 25.6 22.9 30.3 34.1 31.5 Aspartic Acid 152.4 187.9 185.5 163.1 151.3 126.0 185.7 243.2 372.9 368.8 228.3 536.5 423.3 167.4 199.1 178.5 136.5 229.7 174.9 194.9 226.5 207.6 219.5 135.5 172.7 150.1 125.4 179.8 145.5 103.2 234.6 337.3 321.4 313.8 328.7 204.9 171.1 137.2 104.1 140.7 179.7 200.2 229.2 200.0 272.0 252.9 Sarcosine 4.4 6.8 5.5 2.2 6.3 2.9 4.8 3.0 4.4 3.9 3.0 5.9 2.0 2.9 8.5 4.9 4.5 4.6 1.2 0.8 0.1 1.3 1.5 5.3 6.8 2.2 4.1 5.4 3.2 6.4 6.0 3.2 3.8 3.9 5.3 4.6 2.7 3.0 4.3 4.2 11.6 0.4 0.6 0.7 0.4 0.2 Citrulline 119.8 172.5 198.8 175.5 145.4 167.9 222.3 122.2 167.8 198.0 151.7 164.4 113.3 146.2 187.2 132.9 226.0 225.9 197.0 145.0 183.6 147.5 120.0 175.5 180.3 173.6 162.4 176.7 153.6 207.1 237.8 153.8 182.5 204.3 169.9 173.6 158.6 187.7 152.5 150.1 235.1 113.0 132.9 136.9 149.8 130.0 Glutamic Acid 523.1 504.1 356.1 461.2 445.1 297.4 555.9 1394.7 1577.2 1605.5 1216.9 1906.2 1459.8 451.6 850.0 511.9 590.8 910.6 260.0 170.6 179.2 290.0 109.9 415.2 518.9 289.9 450.1 487.7 291.7 209.2 1304.9 1396.6 1383.0 1578.1 1783.9 1104.4 746.6 612.3 387.5 569.9 933.6 204.7 233.2 390.8 377.9 490.0 beta-alanine 8.7 14.2 11.0 4.9 12.2 5.8 9.6 6.3 8.8 8.4 6.7 14.0 4.1 6.1 15.9 8.7 8.5 9.2 2.7 2.2 0.7 2.8 3.3 10.1 14.5 4.8 7.8 10.9 7.0 12.9 12.0 6.4 8.2 8.7 10.5 9.2 5.7 6.3 8.5 7.8 22.8 1.1 1.3 1.6 1.1 0.9 Threonine 167.2 293.2 218.3 139.0 217.5 143.1 154.9 300.2 363.1 341.1 273.5 272.0 257.5 185.2 322.7 231.8 181.5 258.3 352.0 296.1 362.6 284.3 199.2 189.2 221.1 199.5 180.3 212.0 219.1 179.2 301.1 315.8 329.6 471.3 410.9 325.9 196.6 235.2 196.1 197.1 283.8 213.2 181.0 281.6 261.8 245.8 gamma-Amino-N-butyric-acid 0.4 0.8 1.2 1.8 0.9 2.5 4.5 11.5 6.5 5.7 4.6 7.4 7.0 2.7 1.7 1.9 5.7 5.2 1.1 0.7 0.6 0.0 1.5 1.2 0.9 1.2 1.6 0.7 0.7 0.6 8.2 8.7 6.7 7.5 8.1 5.2 4.7 5.0 1.3 5.5 2.2 1.0 1.3 0.3 0.1 0.9 alpha-Aminoadipic-acid 5.0 2.5 2.8 1.3 4.5 1.5 2.8 13.3 9.0 10.4 7.4 10.4 9.5 2.5 6.6 5.9 4.5 5.6 2.3 1.9 2.6 2.5 2.8 3.7 2.4 2.3 2.8 3.1 2.3 2.1 8.4 9.8 9.8 15.5 9.3 10.7 4.1 3.1 2.8 3.3 7.6 2.4 3.8 2.8 3.0 2.5 beta-Aminoisobutyric-acid 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.2 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 1.4 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.2 0.1 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Proline 0.4 0.8 1.2 1.8 0.9 2.5 4.5 11.5 6.5 5.7 4.6 7.4 7.0 2.7 1.7 1.9 5.7 5.2 1.1 0.7 0.6 0.0 1.5 1.2 0.9 1.2 1.6 0.7 0.7 0.6 8.2 8.7 6.7 7.5 8.1 5.2 4.7 5.0 1.3 5.5 2.2 1.0 1.3 0.3 0.1 0.9 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 0.0 0.0 0.0 0.0 0.0 0.0 Hydroxylysine 2 0.5 0.2 0.2 0.1 0.3 0.1 0.0 0.1 0.0 0.1 0.2 0.2 0.2 0.0 0.1 0.0 0.0 0.2 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.1 0.1 0.0 0.0 0.3 0.0 0.0 0.0 0.2 0.1 0.2 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 alpha-Amino-N-butyric-acid 3.1 2.1 2.3 1.6 3.3 3.0 3.5 2.6 1.9 3.2 1.7 7.0 3.2 3.6 4.2 4.0 4.4 4.7 45.9 41.2 48.2 2.5 4.5 2.2 3.7 0.7 1.9 1.6 4.2 2.6 3.0 4.4 4.3 2.7 2.4 2.0 2.4 2.9 3.8 2.1 2.6 9.9 7.6 3.7 8.0 5.6 Ornithine 43.6 47.9 28.3 45.0 46.7 45.4 37.7 80.3 74.8 65.3 71.5 62.2 52.2 40.5 35.4 43.8 42.9 40.1 28.2 23.9 20.6 37.1 30.1 35.6 28.7 30.5 22.0 31.3 26.2 34.7 62.3 53.5 62.8 91.0 69.0 91.1 45.5 58.1 33.8 43.8 38.5 15.3 12.8 22.8 22.7 22.8 Cystathionine 1 2.5 3.8 2.3 2.1 3.7 2.3 0.5 2.5 0.9 1.3 0.4 0.9 0.7 1.0 2.0 3.6 0.9 0.2 2.0 0.4 2.7 2.1 1.6 2.5 9.3 3.0 1.9 0.7 2.2 3.6 1.8 1.4 0.7 1.7 1.8 1.2 1.5 0.5 0.9 0.6 3.0 2.2 0.4 1.0 0.6 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 0.0 0.0 0.0 0.0 0.0 0.0 Lysine 848.8 604.1 653.5 481.2 879.2 488.2 283.8 985.2 806.9 634.7 751.0 655.7 495.7 557.5 480.2 762.8 315.0 306.5 890.0 517.7 619.0 978.5 697.1 796.6 783.4 641.2 634.8 737.8 714.2 733.4 652.5 511.9 535.0 994.0 696.3 922.0 462.9 428.3 500.5 346.8 476.5 401.0 375.4 786.6 669.6 509.2 Cystine 3.4 2.4 4.9 2.4 6.8 4.3 4.5 7.3 9.2 10.0 7.3 7.3 7.7 6.0 13.5 8.1 7.2 9.6 2.9 3.3 4.6 5.0 5.9 3.3 3.0 3.2 3.5 3.5 5.2 2.8 6.3 9.3 8.7 9.2 5.9 7.4 7.9 7.4 5.1 6.7 6.6 2.4 3.0 3.6 3.1 3.0 Tyrosine 79.0 139.0 82.3 120.5 91.8 117.0 95.6 98.3 129.0 107.2 87.6 82.2 61.3 92.1 124.7 89.5 102.2 106.5 75.0 86.1 79.8 62.6 81.0 63.1 69.7 81.5 72.5 61.7 89.8 71.8 76.1 89.0 79.5 115.7 86.2 88.8 122.3 136.6 83.7 119.5 96.8 51.3 48.5 53.4 63.7 64.5 Methionine 57.8 97.1 48.1 65.6 73.8 52.8 43.1 60.8 90.5 72.5 63.1 58.0 54.0 46.3 107.6 70.6 47.0 61.7 52.5 59.0 67.4 57.8 54.2 61.3 53.7 66.2 56.2 52.7 65.5 60.2 60.9 72.1 66.8 101.1 71.9 80.4 68.6 95.2 64.0 70.7 70.4 47.6 45.0 50.9 50.3 53.2 Valine 94.4 144.6 120.1 112.9 137.2 110.7 114.5 124.8 137.7 158.7 114.7 156.5 133.1 104.1 166.3 116.1 125.0 168.2 175.0 151.2 169.1 152.0 148.7 112.5 119.1 126.9 115.5 120.6 139.0 100.8 126.3 157.8 184.6 191.5 139.2 124.0 137.8 163.3 95.2 119.6 125.4 122.7 106.8 108.9 143.7 161.2 Isoleucine 37.6 51.4 47.6 39.4 53.2 39.9 44.3 57.6 72.9 73.9 61.0 75.5 63.1 40.7 83.0 39.4 56.9 84.4 68.4 68.1 69.6 62.4 62.6 48.8 57.5 59.5 51.5 57.0 61.8 36.3 72.6 96.9 102.5 98.4 72.5 58.2 57.1 71.2 39.5 53.0 65.6 60.9 58.0 52.2 57.6 57.1 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 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Leucine 79.4 111.7 86.3 76.2 105.8 77.6 83.7 116.2 165.3 142.8 124.3 148.6 126.3 75.7 175.4 84.3 109.3 151.7 124.0 132.0 144.3 115.8 142.6 103.1 104.7 111.1 97.9 116.8 120.4 71.5 151.0 206.5 202.9 215.0 150.4 132.2 113.4 144.4 84.3 112.7 129.9 116.0 108.2 102.0 139.5 148.4 Phenylalanine 56.5 85.7 56.7 73.8 67.5 67.2 73.6 68.9 96.5 86.5 73.0 80.3 66.9 61.8 95.2 60.0 78.9 91.1 60.8 75.8 63.0 65.9 75.4 65.4 59.4 66.2 63.8 75.1 74.7 60.4 83.1 105.8 101.0 121.4 84.9 77.5 99.5 130.0 63.6 94.1 82.7 67.6 61.8 72.5 83.2 83.6 Tryptophan 17.3 21.3 16.6 18.7 17.2 16.1 16.9 27.1 31.7 27.4 27.2 22.6 22.8 15.9 22.3 16.6 23.3 28.0 20.6 28.5 24.7 16.0 20.8 17.3 19.6 21.2 18.1 17.0 21.7 19.4 20.4 25.4 24.2 34.6 31.4 21.4 25.7 25.9 15.9 21.9 22.6 17.7 17.2 19.7 19.8 19.5 Hydroxyproline 311.2 338.6 386.7 283.7 428.6 205.5 415.3 252.8 311.8 331.4 238.4 298.1 274.6 291.7 585.0 483.5 239.1 254.6 317.5 140.4 174.5 232.5 140.4 462.7 391.0 262.3 255.6 266.2 240.0 480.4 273.5 282.7 317.9 313.8 317.8 258.7 315.9 283.4 303.9 192.6 482.3 120.1 96.0 133.8 121.8 93.1 Taurine 12452.2 13072.8 14388.2 13443.5 12765.0 13020.5 14200.4 11874.6 12173.7 11917.3 10912.9 11950.6 10728.0 12711.6 11543.5 13777.0 11444.4 10315.3 11785.3 12510.7 14179.6 14589.4 12843.1 12467.4 12590.9 13230.1 12324.7 12587.0 13153.2 12548.0 9955.7 9305.1 10286.1 11397.5 10242.8 9457.5 11083.3 12058.4 11387.9 9600.9 10931.5 12001.3 11822.8 11574.6 11838.3 12046.9 Serine 160.4 287.0 296.1 292.2 291.6 315.2 344.8 414.1 559.8 549.4 419.7 435.1 474.6 291.3 448.2 314.8 446.9 541.3 302.7 276.1 328.4 316.1 263.5 278.9 243.8 238.6 232.6 256.9 257.6 237.2 528.9 630.9 656.6 623.3 737.4 482.6 331.8 444.5 284.1 453.9 337.1 243.9 201.9 248.3 257.3 265.5 Glutamine 1063.2 1100.0 1293.9 1253.8 1180.1 1235.6 1526.6 1936.5 2069.7 2562.2 2228.4 2014.1 2228.0 1818.1 1999.0 1571.7 2338.5 2789.8 1457.1 1351.7 1732.8 1160.4 1113.1 1127.7 838.0 979.5 1238.1 1267.2 1073.8 1282.1 2442.6 2401.2 3018.5 2478.7 2177.1 1997.4 1573.0 2041.7 1414.8 2118.8 1634.7 981.4 1027.3 887.4 1495.7 1450.5 Glycine 886.8 1955.3 1655.3 1515.6 1584.0 1853.7 2193.0 2141.7 2779.7 2780.7 1863.2 2661.0 2292.7 2040.2 3210.6 2097.6 2610.8 3098.5 1178.2 1015.2 954.2 1407.0 1029.7 1315.9 1211.1 874.9 1121.0 1419.9 1097.1 1456.5 2084.1 2364.3 3006.1 2002.3 2473.8 1958.5 2162.8 2107.4 1305.0 2398.1 2344.1 663.1 662.7 863.4 674.2 591.9 Alanine 1043.0 1293.9 1445.2 1315.9 1352.1 1471.3 1282.0 1596.1 1839.8 1624.3 1355.9 1566.0 1733.0 1177.0 1811.6 1475.6 1487.5 1869.1 1900.8 1456.4 1912.4 1608.1 1234.6 1405.6 1260.1 1422.3 1334.9 1399.6 1210.1 1302.3 1482.9 1467.4 1586.0 1712.1 1451.6 1607.5 1440.6 1677.7 1161.9 1393.5 1329.2 1192.7 1092.0 1072.4 1176.0 1096.4 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