metabolite_name ms6721-1 ms6721-2 ms6721-3 ms6721-4 ms6721-5 ms6721-6 ms6721-7 ms6721-8 ms6721-9 ms6721-10 ms6721-11 ms6721-12 ms6721-13 ms6721-14 ms6721-15 ms6721-16 ms6721-17 ms6721-18 ms6721-19 ms6721-20 ms6721-21 ms6721-22 ms6721-23 ms6721-24 ms6721-25 ms6721-26 ms6721-27 ms6721-28 ms6721-29 ms6721-30 ms6721-31 ms6721-32 ms6721-33 Histidine 107.7 98.6 100.6 71.2 108.9 101.4 91.1 90.1 116.6 98.4 91.2 94.5 100.3 106.6 74.3 104.8 129.9 116.2 140.1 115.3 134.8 95.9 192.2 216.8 195.2 99.9 123.2 101.5 107.6 182.2 111.1 32.9 103.6 Hydroxyproline 8.9 12.9 8.3 9.7 6.9 8.5 6.3 9.0 11.6 8.4 12.1 12.7 14.1 7.8 8.1 9.5 33.2 55.8 7.8 12.9 26.1 22.3 15.3 48.7 41.1 15.8 12.1 12.7 7.6 46.4 10.1 5.4 12.7 1-Methylhistidine 19.8 36.9 11.8 1.7 6.4 6.1 13.4 1.2 7.9 1.0 5.4 3.9 5.7 8.9 2.1 1.2 2.9 2.2 3.1 7.4 1.6 3.8 12.1 10.9 10.8 1.9 3.6 33.2 1.1 23.2 2.4 14.5 4.1 3-Methylhistidine 4.7 4.7 5.7 3.3 2.7 3.6 4.3 2.8 5.5 2.1 2.9 2.3 4.2 2.6 2.2 2.7 6.1 8.0 2.2 5.3 6.6 5.3 4.1 12.9 10.9 3.5 2.3 7.6 4.5 22.2 5.1 4.5 3.6 Asparagine 47.7 42.7 43.7 41.9 52.1 50.3 43.9 69.9 67.2 54.8 40.4 57.2 41.6 58.6 39.3 61.1 66.7 81.2 82.2 66.6 120.1 61.6 91.8 127.7 118.0 62.5 70.8 52.2 57.0 116.3 50.5 10.3 61.1 Phosphoethanolamine 1.6 1.0 1.1 1.4 1.7 2.1 1.8 0.3 1.4 0.5 0.3 2.6 0.3 0.1 6.2 0.5 1.1 1.3 0.7 1.0 1.3 1.2 2.4 2.9 2.7 0.7 1.4 1.8 1.0 1.2 1.6 27.4 0.6 Arginine 65.2 46.9 47.1 45.1 54.7 56.1 54.5 63.2 78.3 74.1 72.3 95.2 85.4 80.7 0.5 86.7 56.1 114.1 161.3 95.0 85.1 83.5 86.5 122.9 111.7 83.3 72.0 36.8 65.3 84.0 63.5 20.6 69.4 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 Taurine 85.4 55.2 76.8 58.7 69.5 90.7 64.7 81.8 86.0 49.8 33.0 72.0 33.6 40.7 111.4 55.2 36.6 42.2 57.7 67.5 19.3 44.1 48.3 119.6 101.4 56.0 73.1 77.6 73.1 70.1 77.8 85.0 62.2 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 Serine 103.6 87.0 106.4 108.1 78.6 88.9 77.6 91.6 89.4 93.7 73.6 136.5 74.3 95.3 75.9 111.3 74.5 60.0 128.1 105.1 60.0 94.4 110.7 122.3 106.4 98.9 135.4 104.7 100.4 84.4 100.4 19.4 96.2 Glutamine 409.3 517.5 445.4 483.1 478.7 485.1 303.3 467.1 490.4 450.1 562.7 505.0 609.0 440.1 389.5 510.2 457.6 801.1 747.7 435.3 639.8 441.9 652.0 707.0 651.4 495.7 519.1 397.1 420.6 991.6 514.8 17.9 355.4 Ethanolamine 7.0 5.9 5.0 4.3 6.3 8.5 7.6 11.1 6.2 5.6 7.0 6.4 7.2 13.2 9.7 5.9 13.5 36.1 18.9 17.0 32.6 29.7 24.7 32.4 30.6 18.0 11.4 5.5 10.1 46.0 10.2 68.5 8.0 Glycine 223.5 221.4 193.6 378.6 237.8 267.0 228.6 223.2 379.6 198.8 194.0 258.1 204.2 211.2 227.0 231.0 199.6 385.5 249.7 238.7 259.7 209.4 236.4 299.8 284.7 219.2 217.4 299.8 196.0 387.2 161.2 288.3 161.3 Aspartic Acid 5.5 1.9 4.2 1.9 2.5 2.2 2.0 5.0 2.1 6.4 1.7 10.5 2.0 5.1 12.1 7.8 1.8 1.7 3.1 2.3 2.4 3.5 2.1 3.0 2.9 5.9 2.8 5.8 9.7 1.6 2.5 1.3 1.5 Sarcosine 0.9 0.8 0.9 0.9 0.5 0.6 0.5 1.0 1.1 1.1 0.6 1.4 0.6 1.1 1.3 1.1 1.4 1.4 1.1 1.4 0.6 1.5 1.4 3.3 3.0 1.9 0.5 0.9 0.9 2.0 0.7 1.7 1.2 Citrulline 34.4 22.9 38.1 28.8 38.1 34.6 51.1 23.1 48.2 29.6 37.1 39.3 39.4 23.7 18.8 32.2 25.5 97.8 69.3 45.1 34.5 43.6 38.5 82.6 78.8 32.6 31.1 37.5 46.6 64.5 60.3 5.1 34.8 Glutamic Acid 41.8 26.6 58.0 36.7 34.5 24.2 23.2 34.2 31.4 28.5 29.6 43.6 32.2 34.3 123.1 32.2 11.1 13.1 33.2 21.4 12.3 20.3 22.9 19.0 17.5 17.3 23.6 35.6 81.0 17.4 38.3 29.4 17.9 beta-Alanine 4.0 4.2 3.4 3.0 2.2 5.5 3.3 3.3 4.2 1.2 1.3 3.3 1.3 1.6 4.0 1.4 1.3 3.1 2.8 3.2 3.6 2.0 3.9 4.1 3.9 3.5 1.6 4.0 3.3 2.2 2.0 1.1 2.4 Threonine 104.1 120.1 113.1 111.5 136.2 111.6 120.7 149.7 158.3 112.4 97.2 106.4 102.8 119.8 74.8 119.5 116.2 172.4 175.1 140.5 189.3 123.1 145.2 201.7 189.1 99.8 141.9 142.6 100.7 233.6 89.4 23.0 102.5 Alanine 471.9 473.6 283.5 384.5 431.6 457.6 381.7 415.8 691.4 291.5 215.4 375.0 224.5 324.4 331.3 307.0 314.7 267.2 475.3 447.1 579.5 301.2 606.5 514.9 470.6 251.8 254.8 372.3 316.9 633.3 261.7 25.5 330.1 gamma-Amino-N-butyric-acid 0.04 0.00 0.07 0.00 0.07 0.05 0.06 0.19 0.26 0.05 0.00 0.06 0.00 0.10 1.09 0.05 0.08 0.24 0.30 0.08 0.30 0.18 0.18 0.56 0.51 0.07 0.07 0.09 0.15 0.17 0.13 0.06 0.09 alpha-Aminoadipic-acid 0.9 0.7 0.9 0.4 0.6 0.6 0.5 0.7 0.5 0.3 0.2 0.6 0.2 0.2 0.7 0.3 0.3 0.1 0.4 0.5 0.5 0.1 0.8 1.1 0.9 0.3 0.5 0.6 0.8 0.9 0.7 0.0 0.6 beta-Aminoisobutyric-acid 1.1 0.9 2.0 1.6 1.1 1.5 2.1 2.0 1.7 0.8 2.2 2.9 2.3 0.5 1.7 0.8 1.4 19.6 0.7 1.6 3.7 1.5 1.2 1.9 1.7 1.0 1.7 1.5 1.9 4.6 2.6 2.7 1.2 Proline 150.4 180.9 134.7 144.3 163.5 299.3 160.5 146.0 195.4 110.8 127.4 144.8 131.8 132.4 110.6 117.2 161.6 277.7 242.1 176.5 216.5 191.5 244.1 263.6 238.5 153.1 145.7 136.7 148.7 272.7 299.7 9.9 234.7 Hydroxylysine 1 0.1 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 0.1 0.1 0.1 0.1 0.1 0.2 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.1 0.0 0.1 Hydroxylysine 2 0.3 0.4 0.4 0.4 0.3 0.4 0.3 0.3 0.4 0.7 0.3 0.5 0.4 0.6 0.3 0.6 1.1 1.0 0.5 0.4 1.7 0.6 0.6 1.0 0.9 0.6 0.7 0.3 0.4 1.1 0.5 0.1 0.3 alpha-Amino-N-butyric-acid 29.6 16.8 29.7 20.4 11.5 23.7 31.2 29.8 15.1 8.9 6.5 19.2 7.3 14.0 13.2 9.1 15.2 3.4 26.3 24.9 13.6 10.5 21.6 22.1 20.6 21.9 12.8 23.0 14.5 31.2 19.6 0.8 26.6 Ornithine 81.4 51.2 46.7 47.2 54.3 44.4 48.2 41.4 56.0 40.4 61.2 84.4 64.8 43.3 87.3 42.4 42.3 52.7 69.1 64.4 49.8 50.6 66.6 110.8 99.3 54.6 58.2 73.0 55.1 89.3 69.0 73.2 49.6 Cystathionine 1 0.3 0.6 0.4 0.3 0.4 0.3 0.3 0.8 0.4 0.6 0.6 0.5 0.7 0.6 0.4 0.7 1.1 2.8 0.7 1.1 2.6 1.0 0.9 3.8 3.5 0.6 0.6 0.2 0.3 11.3 0.6 6.6 0.6 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 Lysine 189.7 154.6 162.3 138.3 199.6 174.8 135.5 149.7 213.9 133.2 91.5 187.3 95.8 140.7 127.5 139.7 186.9 91.4 213.5 187.2 322.3 88.9 306.9 315.0 285.0 193.9 164.3 134.8 201.1 277.1 135.9 16.0 165.9 Cystine 39.7 37.1 45.3 52.8 45.5 37.5 43.0 45.8 45.4 52.2 49.0 49.1 47.2 47.0 28.1 56.6 79.5 53.1 64.4 72.8 35.3 60.6 35.1 102.0 99.9 50.4 40.1 35.5 49.8 126.4 62.4 7.1 38.2 Tyrosine 44.5 35.4 45.0 36.7 45.1 41.3 37.8 41.9 52.0 81.9 64.4 60.0 64.3 135.1 26.7 90.6 129.7 121.6 138.9 140.4 140.9 202.1 183.7 232.8 219.8 150.9 151.8 41.9 92.3 232.1 67.2 8.9 100.1 Methionine 22.8 17.4 17.6 16.6 23.3 22.2 17.3 25.9 23.5 27.7 19.2 25.0 19.7 30.8 16.2 31.9 29.2 44.0 51.4 42.7 65.7 39.8 42.0 56.5 50.0 36.8 28.2 18.7 25.7 81.1 22.2 1.8 40.9 Valine 239.3 207.8 226.6 128.1 145.5 165.0 184.6 203.6 131.2 127.6 120.1 227.2 129.1 133.2 142.3 140.7 199.3 99.5 189.4 157.7 141.3 104.8 216.8 245.9 223.8 156.4 180.8 210.7 188.8 180.1 185.6 5.4 175.3 Isoleucine 64.1 46.1 56.3 35.8 35.6 37.5 33.5 81.3 35.7 33.6 46.5 68.5 48.2 43.5 34.6 37.0 26.9 29.5 53.2 45.3 41.9 34.7 36.6 38.5 36.0 46.2 45.5 36.9 53.7 16.5 63.1 1.8 45.6 allo-Isoleucine 1.8 2.7 1.9 1.4 1.5 1.8 1.2 2.7 1.2 0.7 0.9 1.5 1.0 0.9 1.6 0.7 0.6 0.7 1.5 1.2 0.5 1.1 1.4 0.7 0.8 1.7 0.9 2.1 1.8 0.2 2.0 0.0 1.9 Homocystine 0.1 0.1 0.1 0.1 0.0 0.1 0.0 0.1 0.0 0.0 0.1 0.1 0.1 0.1 0.2 0.0 0.1 0.2 0.1 0.1 0.1 0.0 0.2 0.1 0.1 0.0 0.1 0.2 0.1 0.1 0.1 2.3 0.0 Leucine 129.2 84.6 130.3 64.3 75.9 83.7 82.1 142.4 77.6 75.8 77.8 131.7 82.5 81.6 80.4 85.6 103.6 75.2 117.3 99.9 88.6 68.6 125.2 171.3 155.9 91.2 114.1 81.8 120.9 105.3 116.6 3.2 78.3 Phenylalanine 43.9 38.3 67.1 34.7 37.3 38.9 37.4 67.8 40.9 60.5 49.2 70.7 51.7 75.1 37.3 66.4 127.3 112.7 103.0 92.3 153.4 64.6 108.8 183.9 170.4 80.2 64.0 33.6 64.1 180.2 57.8 4.7 45.0 Tryptophan 25.7 31.5 22.7 19.6 31.9 28.3 21.7 23.1 24.0 35.8 26.5 35.0 27.6 55.3 29.9 39.8 33.0 20.3 32.8 48.8 47.1 34.3 87.6 63.6 57.4 37.2 50.2 31.1 36.6 45.9 28.7 3.4 43.5 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