metabolite_name ms6274-1 ms6274-2 ms6274-3 ms6274-4 ms6274-5 ms6274-6 ms6274-7 ms6274-8 ms6274-9 ms6274-10 ms6274-11 ms6274-12 ms6274-13 ms6274-14 ms6274-15 ms6274-16 ms6274-17 ms6274-18 ms6274-19 ms6274-20 ms6274-21 ms6274-22 ms6274-23 ms6274-24 ms6274-25 ms6274-26 ms6274-27 ms6274-28 ms6274-29 ms6274-30 ms6274-31 ms6274-32 ms6274-33 ms6274-34 ms6274-35 ms6274-36 ms6274-37 ms6274-38 ms6274-39 ms6274-40 ms6274-41 ms6274-42 ms6274-43 ms6274-44 ms6274-45 ms6274-46 ms6274-47 ms6274-48 ms6274-49 ms6274-50 Histidine 96.9 86.0 117.4 96.7 125.6 126.3 72.6 82.9 81.7 99.5 79.4 120.1 85.0 120.8 91.1 83.0 96.1 117.2 89.7 156.8 76.2 91.3 68.3 77.3 80.9 40.6 37.7 29.7 25.6 29.0 24.3 12.0 36.2 29.8 31.6 25.4 21.1 22.9 34.7 34.2 29.5 35.7 32.7 30.8 16.6 27.2 22.6 19.5 31.3 21.6 Hydroxyproline 8.4 10.1 12.0 10.1 8.0 5.9 10.4 5.9 7.6 8.7 19.8 8.2 4.7 6.3 4.6 7.1 4.6 28.3 9.1 10.1 4.2 4.9 12.5 7.4 3.0 11.0 10.2 8.7 5.1 5.0 6.5 6.6 4.3 6.2 11.4 16.0 4.1 3.6 7.7 6.6 4.9 6.5 4.4 8.6 25.4 7.5 5.3 10.8 13.3 4.7 1-Methylhistidine 17.4 18.4 9.0 5.9 1.5 2.6 8.0 13.7 19.7 8.3 1.8 1.5 2.3 26.4 5.1 21.1 0.0 48.5 11.7 0.4 14.8 11.6 1.3 17.5 0.0 6.6 4.8 10.1 23.2 3.4 17.2 2.6 6.9 15.6 4.9 5.6 1.8 0.8 7.4 7.5 4.4 5.2 4.6 12.6 37.6 20.5 0.0 2.1 4.3 3.9 3-Methylhistidine 5.3 4.1 14.0 4.9 3.8 6.0 5.4 3.9 4.5 5.8 5.4 5.0 2.1 16.1 6.3 4.0 5.1 24.7 3.6 9.3 4.2 3.5 1.9 7.5 1.2 13.7 8.3 7.4 8.8 8.4 10.0 8.0 6.2 7.0 4.4 5.7 8.2 4.6 4.3 5.0 4.9 4.0 6.3 8.1 35.6 7.6 6.0 15.7 10.5 4.7 Asparagine 28.1 27.1 30.0 22.6 43.4 31.7 23.5 32.8 37.1 27.6 17.2 28.3 29.3 9.1 24.6 28.6 26.2 39.5 35.0 41.2 29.7 10.3 11.6 15.3 28.2 20.9 2.5 3.0 1.3 0.6 0.6 1.1 43.7 30.8 23.0 0.7 0.6 2.4 2.4 6.2 1.2 10.8 1.0 9.1 1.4 18.8 1.2 1.1 0.6 16.7 Phosphoethanolamine 0.9 2.3 0.0 0.0 2.5 1.5 4.2 4.0 1.8 2.1 12.8 3.8 2.2 6.5 2.0 2.7 4.5 6.6 3.1 3.6 4.6 0.0 0.0 0.0 0.0 1.3 2.3 3.8 1.2 0.9 1.5 0.7 0.9 0.9 0.5 3.1 1.5 3.7 0.0 0.0 0.7 1.8 0.0 1.0 1.1 1.2 1.1 0.8 0.6 1.2 Arginine 42.4 46.9 59.9 31.7 45.0 51.3 29.4 35.3 50.0 50.3 12.3 47.4 54.7 34.9 40.8 58.4 63.6 39.5 32.6 58.9 31.6 30.2 17.5 25.4 43.2 73.1 60.5 71.5 73.7 64.9 85.6 23.7 48.2 54.5 65.2 35.5 44.3 55.5 99.1 95.7 74.4 43.4 70.9 46.0 22.1 43.7 41.8 66.4 67.8 23.4 Carnosine 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Taurine 44.1 79.1 89.8 107.8 65.6 46.7 64.1 49.9 49.9 57.5 91.7 44.0 60.3 91.5 53.6 38.0 38.7 68.4 49.1 115.6 51.0 88.3 54.2 61.0 72.0 66.4 74.2 107.3 66.9 44.2 67.4 31.6 39.6 42.3 53.7 71.6 66.1 127.2 62.7 34.4 33.9 68.6 62.1 50.6 66.7 36.9 17.9 98.2 50.2 65.0 Anserine 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Serine 76.8 68.3 74.2 65.7 60.4 35.1 53.7 56.9 45.7 58.7 47.9 59.8 72.9 52.1 51.0 63.9 55.4 63.2 58.7 73.4 68.9 45.2 120.5 54.2 50.7 105.1 114.0 99.8 118.8 73.2 95.7 97.4 102.9 102.5 109.4 144.0 129.3 92.4 127.3 154.5 108.4 103.1 196.7 89.6 77.5 98.0 60.3 92.6 84.6 83.5 Glutamine 402.0 445.7 419.7 282.3 507.9 403.7 364.5 423.4 404.6 504.7 13.4 484.7 409.1 239.9 456.2 381.5 452.2 529.7 385.7 503.7 339.9 216.1 44.0 149.7 335.9 383.9 37.7 44.2 7.2 0.0 0.0 3.7 612.7 400.1 303.6 0.0 17.2 16.9 24.3 239.3 148.5 134.5 32.6 7.9 0.0 1.4 49.9 0.0 0.7 142.1 Ethanolamine 6.6 14.1 23.6 42.0 15.6 7.8 13.0 9.5 9.1 10.0 9.9 8.4 10.3 7.9 6.8 8.1 7.7 11.3 9.7 7.4 8.3 16.7 12.2 16.7 16.4 4.9 8.5 5.1 7.2 5.1 5.4 6.9 7.6 6.5 6.2 4.2 5.9 5.2 12.5 5.8 5.8 7.6 11.5 6.4 5.6 4.6 8.7 4.7 6.5 4.7 Glycine 323.7 238.9 249.3 160.6 228.8 208.4 192.4 216.0 140.2 166.7 192.4 185.6 255.0 189.9 186.0 219.0 209.7 342.9 167.5 365.7 166.1 205.8 269.0 173.2 186.4 293.6 179.0 217.4 252.7 208.2 218.1 207.6 270.5 196.1 225.7 186.7 323.8 310.7 215.5 290.7 309.4 189.5 288.8 233.6 354.1 181.4 142.4 355.3 214.1 208.2 Aspartic Acid 3.8 11.7 14.1 19.7 7.4 7.2 8.2 6.1 5.0 6.4 12.9 5.3 5.3 24.6 6.2 7.4 7.7 11.5 6.7 7.6 6.1 12.2 8.1 10.4 10.0 27.7 28.9 37.0 44.3 9.1 8.6 25.8 11.8 18.7 22.5 3.9 25.3 31.0 40.4 62.2 43.3 45.9 53.8 24.6 29.9 18.9 24.4 38.0 30.3 21.6 Sarcosine 0.3 0.7 0.8 0.9 0.4 0.6 0.3 0.4 1.2 0.7 5.8 0.4 0.2 6.6 0.2 0.6 0.8 1.3 1.1 1.4 0.5 0.4 0.4 0.4 0.2 3.6 3.0 1.3 3.6 3.0 3.0 2.2 2.9 3.1 4.6 4.3 2.2 1.5 0.7 0.5 3.1 4.5 0.5 2.8 4.2 3.4 3.3 4.7 2.7 2.4 Citrulline 20.6 16.4 26.6 16.9 24.1 19.8 21.3 18.5 26.5 28.3 29.9 23.1 18.1 37.6 27.6 24.0 28.4 45.8 17.3 17.6 17.0 14.9 13.4 24.8 22.9 33.9 30.6 26.0 42.2 36.2 34.8 33.0 28.8 54.8 59.5 11.5 24.5 28.4 33.0 36.3 42.6 44.7 27.1 54.3 65.7 31.5 42.0 29.2 46.5 19.1 Glutamic Acid 28.9 72.5 123.1 198.6 69.4 58.2 82.9 60.1 32.0 50.6 433.9 43.7 32.0 200.1 36.4 39.9 74.3 65.1 41.3 75.5 39.8 153.3 288.4 236.8 128.3 226.2 511.5 474.6 564.5 570.8 519.2 477.3 130.1 238.9 482.9 607.3 473.2 572.3 556.6 386.2 470.1 541.3 573.3 681.3 425.2 464.8 468.6 538.7 524.8 291.5 beta-Alanine 1.1 1.3 2.1 3.5 2.2 1.2 2.9 1.4 1.9 0.8 2.4 1.6 0.6 1.7 1.6 2.8 1.6 3.9 3.5 0.9 0.9 1.1 0.5 2.7 1.1 2.5 3.8 4.6 3.0 2.1 1.5 2.5 2.5 2.2 1.3 3.9 1.4 2.2 2.4 1.6 2.7 3.0 1.8 4.5 4.2 6.6 0.5 1.6 2.8 0.9 Threonine 75.2 107.3 102.3 73.2 90.6 58.1 77.9 68.9 107.4 76.4 85.1 61.2 71.5 116.4 61.2 103.7 58.7 100.9 98.5 103.0 71.3 48.9 90.2 60.2 67.1 150.1 123.3 105.0 109.7 86.3 88.7 122.7 130.6 206.5 156.9 133.1 113.4 82.2 142.5 130.1 144.6 157.0 134.4 162.7 121.7 125.7 89.4 109.2 105.9 101.9 Alanine 248.6 176.2 366.4 440.5 277.7 313.3 387.8 213.8 352.0 271.5 279.7 225.8 219.0 280.7 202.8 242.8 340.5 258.7 197.5 455.3 188.2 195.1 168.4 241.8 248.8 507.5 420.9 222.6 299.9 335.6 310.4 493.8 307.9 296.4 439.2 472.6 305.0 244.6 217.4 311.6 330.0 381.8 198.4 415.0 315.5 239.9 300.6 477.5 512.1 396.2 gamma-Amino-N-butyric-acid 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.3 0.1 0.0 0.1 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.1 0.2 0.3 0.5 0.7 0.2 0.2 0.1 0.1 0.3 0.1 0.4 0.5 0.2 0.1 0.3 0.4 0.3 1.4 0.2 0.3 0.1 0.6 0.1 0.1 alpha-Aminoadipic-acid 0.3 0.4 0.7 1.7 0.4 0.7 0.9 0.7 1.4 0.6 1.0 0.4 0.3 2.4 0.4 0.4 0.5 0.9 0.9 0.6 0.4 0.8 0.1 1.2 0.3 0.7 1.1 0.7 0.4 0.8 1.1 0.8 0.6 1.0 0.6 1.9 0.2 0.4 0.4 0.7 0.3 0.7 0.3 0.9 0.3 1.6 0.4 0.6 0.7 0.7 beta-Aminoisobutyric-acid 0.8 1.5 1.3 0.7 0.9 0.8 0.9 1.0 1.2 1.0 1.2 0.9 1.3 3.2 4.8 3.8 0.8 5.8 0.9 1.1 0.6 1.2 0.0 1.1 0.5 1.4 1.1 1.6 1.0 1.2 0.6 0.9 1.2 2.1 0.8 0.4 1.5 2.1 0.8 0.9 4.3 0.8 0.8 0.9 4.4 1.1 0.2 1.5 2.0 0.7 Proline 83.8 188.4 172.6 206.1 195.7 188.2 135.6 125.9 244.8 141.9 237.5 145.4 102.1 163.9 111.5 148.0 165.2 158.5 207.9 190.5 96.3 87.0 87.3 108.2 140.3 236.3 196.2 117.8 137.4 187.2 105.4 193.8 154.4 183.5 229.0 310.3 107.1 109.4 156.8 169.8 163.4 177.6 119.0 255.1 171.6 186.2 260.1 179.2 219.5 147.2 Hydroxylysine 1 0.0 0.0 0.0 0.1 0.0 0.0 0.1 0.0 0.1 0.0 0.1 0.0 0.0 0.1 0.0 0.0 0.1 0.1 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 Hydroxylysine 2 0.3 0.5 0.2 0.4 0.2 0.4 0.8 0.2 0.6 0.4 0.9 0.3 0.2 0.4 0.2 0.2 0.4 0.5 0.3 0.5 0.3 0.2 0.3 0.2 0.2 0.4 0.5 0.3 0.2 0.4 0.4 0.9 0.2 1.0 0.5 1.3 0.2 0.4 0.4 0.5 0.2 0.4 0.3 0.4 1.1 0.3 0.5 0.8 0.3 0.4 alpha-Amino-N-butyric-acid 24.5 26.4 13.5 19.3 14.5 20.3 17.4 16.1 19.4 13.8 23.2 16.0 22.5 35.1 11.4 19.0 11.8 21.1 18.9 14.1 17.6 20.1 11.8 15.7 7.3 18.9 23.9 26.2 19.0 17.1 17.2 19.3 18.7 27.2 13.5 22.2 27.6 9.2 22.0 17.6 19.1 26.3 27.3 16.4 18.9 18.6 22.6 18.2 19.4 20.8 Ornithine 34.0 45.6 73.4 77.4 41.0 37.5 44.2 51.0 71.0 57.3 102.9 40.2 36.1 75.8 48.7 30.1 59.2 86.2 47.4 51.8 48.1 40.3 57.8 76.0 48.7 123.3 109.4 49.8 62.0 83.6 70.7 77.7 66.8 90.4 145.8 90.6 103.0 55.4 38.2 42.1 47.2 115.2 67.8 74.9 126.8 82.2 78.6 82.1 76.8 78.9 Cystathionine 1 0.0 0.0 1.2 0.0 0.0 0.0 0.0 0.0 0.7 0.1 0.6 0.0 0.0 0.4 0.0 0.0 0.0 1.5 0.0 0.3 0.0 0.0 0.0 0.0 0.0 1.3 0.3 0.1 0.1 0.2 0.1 0.3 0.2 0.8 0.5 0.4 0.1 0.2 0.2 0.2 0.2 0.5 0.1 0.6 0.9 0.3 1.2 0.2 0.1 0.7 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 0.4 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 Lysine 105.7 115.4 152.1 141.6 117.7 148.1 128.5 126.9 139.6 145.7 148.5 119.9 109.9 207.9 117.8 110.7 128.6 147.6 121.2 183.9 118.4 143.9 92.8 142.4 117.6 168.6 171.6 181.4 160.2 175.4 209.9 149.0 176.1 193.9 208.6 173.2 177.9 132.5 178.9 186.3 157.1 189.4 191.7 167.1 148.0 154.4 102.7 222.7 166.4 139.2 Cystine 19.5 53.8 19.1 2.3 37.7 36.6 61.7 41.1 50.9 60.6 1.1 25.5 35.8 1.1 45.9 27.4 50.9 93.4 34.9 51.6 39.6 0.5 0.0 0.7 0.9 12.1 0.2 0.4 1.6 0.8 0.3 0.4 0.7 0.9 0.4 0.7 0.2 0.7 0.6 0.8 0.6 0.5 0.4 0.6 2.8 0.4 0.6 0.2 0.2 0.1 Tyrosine 41.9 30.8 36.7 38.8 47.8 42.9 52.6 34.8 54.9 42.7 46.6 32.7 35.3 42.4 36.3 32.4 51.9 29.0 47.0 35.1 34.5 35.6 37.0 43.1 32.4 49.8 52.5 44.5 58.1 67.0 62.4 79.8 63.7 84.9 79.9 61.2 57.7 51.0 75.8 85.2 50.5 93.6 63.2 74.0 29.6 68.2 168.0 39.5 58.7 60.7 Methionine 17.4 15.3 20.8 16.7 17.0 16.5 17.5 14.1 18.5 16.2 6.8 17.5 14.5 14.7 15.3 17.5 16.5 16.9 16.7 18.8 15.7 13.0 11.2 17.1 13.5 7.8 3.6 2.0 1.4 0.0 1.2 0.0 23.3 23.6 19.6 6.6 0.0 3.8 2.7 6.1 8.4 16.7 3.1 12.2 0.0 0.5 5.9 0.6 0.0 8.2 Valine 131.3 155.3 155.4 209.3 171.1 147.8 197.9 131.5 207.4 145.2 237.3 130.3 134.3 247.4 150.1 149.5 172.7 144.0 188.0 181.0 148.1 160.4 114.2 168.2 133.8 198.3 252.6 145.5 160.1 181.5 235.7 242.6 185.5 281.3 223.4 291.8 176.6 163.3 202.6 220.6 158.6 265.5 206.1 308.6 128.8 244.1 142.6 215.8 240.1 166.3 Isoleucine 35.8 45.5 44.2 55.1 38.0 38.3 50.6 31.4 61.5 37.3 46.4 51.9 38.8 60.5 40.9 39.2 45.1 63.4 53.6 39.4 38.6 43.3 27.8 47.5 32.3 70.5 67.2 48.9 52.7 58.3 58.0 59.6 50.0 72.4 61.5 81.9 61.4 61.9 66.8 56.6 56.3 99.2 50.5 98.5 45.5 80.6 37.3 56.1 71.0 42.9 allo-Isoleucine 1.2 1.6 0.8 2.3 1.5 1.3 1.9 1.4 1.1 1.2 2.4 2.0 1.3 1.9 1.2 1.9 1.5 0.9 1.1 2.1 0.9 1.3 1.0 1.5 0.9 0.9 3.0 1.8 2.5 1.8 2.4 2.2 1.8 1.6 1.5 4.7 2.8 1.8 2.1 1.2 2.0 3.6 1.2 2.2 2.9 1.8 1.1 3.3 1.5 2.4 Homocystine 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 0.3 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 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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 66.5 70.3 63.0 89.4 85.0 63.4 78.9 56.4 80.1 73.0 102.0 74.1 75.7 112.5 83.2 59.3 76.6 82.3 95.2 86.1 72.6 80.5 45.5 89.3 67.8 107.9 123.8 83.6 90.5 98.9 114.8 103.1 92.2 125.0 111.8 148.4 120.6 70.5 114.5 109.6 86.6 154.7 106.4 172.2 61.0 135.5 64.7 114.8 128.2 101.8 Phenylalanine 42.2 33.9 40.3 40.5 39.0 37.2 43.3 29.4 48.1 40.1 45.4 39.8 35.3 47.4 43.9 29.1 40.0 40.3 44.3 37.8 40.6 37.8 24.1 40.0 29.6 61.2 53.8 45.1 57.3 53.5 58.5 69.2 51.5 71.6 64.5 63.5 57.3 42.0 61.5 82.0 44.5 69.9 75.7 79.4 42.9 67.8 72.0 43.8 67.2 79.3 Tryptophan 22.5 17.9 19.0 26.4 32.3 31.0 26.4 17.9 23.8 25.0 28.0 17.8 18.5 22.4 22.0 18.5 23.0 17.2 23.5 28.5 25.2 17.6 20.8 22.5 23.0 29.4 42.0 35.0 54.5 44.5 51.6 46.5 36.1 46.1 52.3 41.0 33.0 39.6 59.9 37.7 38.8 56.3 55.0 66.8 22.1 48.0 55.2 36.1 56.8 49.3 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