metabolite_name ms6650-1 ms6650-2 ms6650-3 ms6650-4 ms6650-5 ms6650-6 ms6650-7 ms6650-8 ms6650-9 ms6650-10 ms6650-11 ms6650-12 ms6650-13 ms6650-14 ms6650-15 ms6650-16 ms6650-17 ms6650-18 ms6650-19 ms6650-20 ms6650-21 ms6650-22 ms6650-23 ms6650-24 ms6650-25 ms6650-26 ms6650-27 ms6650-28 ms6650-29 ms6650-30 Histidine 42.9 69.3 69.2 53.4 35.7 57.4 72.3 97.0 107.6 64.0 40.7 47.7 69.0 29.1 62.3 42.0 42.1 58.9 35.5 91.0 44.0 39.5 50.8 32.7 38.6 51.2 40.9 57.4 18.1 63.2 Hydroxyproline 7.0 10.7 14.8 8.0 7.6 6.9 10.0 11.9 10.1 12.5 6.9 10.7 6.1 4.5 5.2 12.8 9.7 11.2 7.4 27.3 11.7 12.3 13.1 9.2 11.4 10.8 6.2 8.0 9.0 9.8 1-Methylhistidine 20.3 0.0 5.0 0.0 5.7 1.2 3.5 12.4 1.0 17.9 1.5 2.9 12.1 0.0 1.1 12.9 0.0 1.1 13.0 8.4 0.8 3.4 0.0 1.2 0.0 11.1 0.0 14.3 4.6 3.9 3-Methylhistidine 5.7 4.0 6.4 4.2 3.1 2.7 3.4 3.3 5.0 4.2 2.8 3.5 4.4 3.4 5.8 4.0 3.3 6.4 2.0 11.4 1.5 1.4 2.1 2.5 1.4 3.4 2.7 2.1 1.9 2.0 Asparagine 28.0 35.5 38.9 33.2 35.3 37.0 34.5 29.8 34.8 39.0 24.9 33.3 49.1 19.4 34.7 31.6 26.6 28.2 36.9 40.0 29.8 28.5 36.1 32.3 29.2 33.3 38.5 35.0 23.1 37.7 Phosphoethanolamine 1.4 1.7 10.1 3.8 1.9 3.6 2.2 0.8 7.8 0.8 0.0 6.3 0.1 0.5 2.3 2.1 1.2 3.5 3.1 2.0 1.5 2.6 4.7 5.2 0.2 1.9 1.3 1.9 1.0 0.9 Arginine 38.9 39.3 21.8 31.6 47.6 50.5 46.8 50.8 42.1 88.7 43.5 49.9 48.2 18.3 49.9 59.0 58.0 39.0 35.7 47.3 21.1 48.4 61.9 42.5 47.0 47.6 47.5 16.4 35.1 57.1 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 Taurine 51.3 42.8 102.3 67.7 84.5 84.2 83.8 56.7 125.2 43.2 97.1 99.9 71.0 66.6 46.9 59.2 38.2 73.6 83.3 80.6 54.9 80.1 65.3 102.0 58.2 68.0 31.6 65.0 55.2 57.5 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 Serine 74.0 67.2 129.0 82.4 136.3 95.7 99.5 82.8 87.6 121.7 56.6 59.4 111.0 83.7 59.8 68.5 68.9 86.7 92.1 73.4 91.0 92.4 78.7 66.8 55.6 76.1 101.4 108.9 102.6 95.5 Glutamine 467.7 561.2 524.0 568.4 498.1 447.7 525.6 490.7 583.2 732.2 142.7 438.0 397.2 259.8 527.0 457.4 467.1 418.1 733.8 443.5 527.8 552.5 523.5 486.4 421.9 507.3 544.4 513.9 455.9 586.8 Ethanolamine 4.0 5.8 5.7 4.4 6.5 5.5 3.1 5.0 7.9 4.1 8.9 5.9 6.2 5.0 3.7 3.9 4.1 4.7 4.8 4.9 3.1 4.6 5.9 5.5 4.4 5.1 4.6 5.9 3.3 5.7 Glycine 275.4 252.4 378.5 222.3 314.1 218.9 375.9 222.8 348.4 260.5 134.9 147.7 224.1 188.2 126.6 233.3 277.5 202.2 292.6 198.3 246.8 194.7 164.8 204.4 189.1 232.0 247.7 197.4 202.5 157.5 Aspartic Acid 2.4 1.4 7.0 3.3 3.1 3.5 3.1 3.5 4.9 5.4 6.9 5.8 3.5 3.0 2.6 3.0 2.3 4.8 4.6 3.6 3.6 4.5 4.8 5.6 3.9 3.7 2.3 4.0 3.2 3.2 Sarcosine 0.5 0.3 1.2 0.5 1.0 1.7 1.0 0.5 0.4 0.9 0.7 0.9 0.6 0.8 0.6 0.5 0.8 0.7 1.0 1.0 0.7 0.5 0.7 0.7 0.6 0.5 0.4 0.6 0.9 1.0 Citrulline 33.9 29.6 33.9 10.4 30.8 27.1 24.3 29.8 25.7 55.5 45.4 29.9 22.1 16.7 23.4 37.2 45.2 28.4 27.5 38.6 11.5 14.9 23.0 18.0 18.4 28.1 16.9 22.5 15.8 18.2 Glutamic Acid 67.3 21.5 98.2 38.8 110.4 61.5 75.6 108.9 73.4 141.9 263.4 102.5 231.7 107.1 77.5 66.8 28.6 104.9 54.3 79.0 62.1 90.2 96.1 77.6 116.5 49.1 53.0 80.3 71.6 76.5 beta-Alanine 1.9 1.2 3.0 0.7 0.6 3.5 0.6 2.8 1.7 5.0 0.9 3.1 2.3 2.0 2.0 1.1 0.0 1.0 3.2 2.2 1.7 1.4 1.8 1.3 0.5 0.9 0.8 1.2 0.6 1.9 Threonine 49.4 83.8 103.1 59.8 100.7 86.9 90.2 67.5 65.9 111.6 54.0 78.9 148.8 42.7 64.5 50.0 85.4 87.8 93.2 196.3 65.8 94.2 114.1 81.4 81.7 94.9 105.4 89.1 60.7 112.7 Alanine 230.5 281.5 246.2 222.6 163.3 235.7 253.1 340.1 399.3 350.8 171.3 324.3 269.6 110.2 222.9 110.1 203.1 363.8 299.7 379.4 300.0 132.5 328.8 350.9 273.0 201.5 237.7 255.8 236.1 316.5 gamma-Amino-N-butyric-acid 0.10 0.12 0.17 0.12 0.05 0.06 0.03 0.04 0.13 0.07 0.06 0.05 0.05 0.04 0.04 0.09 0.03 0.10 0.06 0.11 0.04 0.05 0.09 0.04 0.05 0.04 0.06 0.11 0.02 0.02 alpha-Aminoadipic-acid 0.4 0.6 1.1 0.4 0.4 0.7 0.5 0.4 0.9 1.0 0.5 1.0 0.6 0.3 1.0 0.2 0.4 0.8 0.1 0.9 0.5 0.5 0.7 0.4 0.3 0.6 0.5 0.8 0.4 1.0 beta-Aminoisobutyric-acid 3.9 2.9 1.8 1.8 2.4 1.3 1.5 1.2 1.5 2.5 3.6 3.5 1.5 1.7 2.1 4.1 0.5 0.7 2.1 1.8 0.5 1.0 0.7 1.0 0.7 1.1 3.3 1.3 1.2 1.0 Proline 134.0 131.3 130.6 127.4 119.5 109.8 128.0 129.5 186.7 221.8 102.8 138.9 143.8 60.1 104.9 76.5 238.6 175.9 141.7 201.9 146.2 138.4 151.6 130.1 150.0 93.8 118.4 98.7 127.5 154.4 Hydroxylysine 1 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 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 0.8 0.5 1.0 0.4 0.6 0.4 0.4 0.5 0.6 0.5 0.6 0.3 0.6 0.4 0.4 0.3 0.3 0.5 0.4 0.8 0.3 1.0 0.4 0.4 0.5 0.6 0.6 0.3 0.4 0.6 alpha-Amino-N-butyric-acid 9.3 22.0 22.7 19.1 28.8 29.5 11.9 9.1 8.4 16.0 10.1 22.4 26.2 11.1 13.1 9.4 3.5 13.9 6.2 25.0 18.6 22.3 16.2 11.4 6.2 18.1 15.1 14.8 34.3 19.1 Ornithine 42.8 64.9 122.1 17.3 54.7 59.9 55.4 76.8 79.0 131.3 46.2 48.7 105.7 32.1 45.4 46.5 57.5 89.2 81.2 88.7 31.9 47.6 47.8 40.8 55.0 46.4 39.6 83.8 49.4 73.8 Cystathionine 1 0.4 0.1 1.0 0.3 0.2 0.4 0.2 0.2 0.4 0.6 0.3 0.3 1.1 0.1 0.2 0.1 0.2 0.3 0.2 1.6 0.1 0.2 0.3 0.2 0.2 0.2 0.3 0.2 0.2 1.7 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 0.0 0.0 0.0 0.0 0.0 Lysine 130.8 120.4 171.4 98.3 120.7 175.8 145.1 164.7 182.7 158.2 112.1 178.0 196.3 104.5 151.0 113.7 105.8 160.8 131.6 199.5 139.8 130.7 164.2 135.2 144.0 146.5 170.7 156.3 148.3 239.8 Cystine 53.8 36.7 56.9 22.4 33.7 36.1 39.8 36.2 43.7 31.6 6.5 29.6 61.7 33.0 58.7 36.7 31.5 37.1 42.2 53.7 25.4 38.5 42.0 35.7 39.1 50.7 41.4 31.8 50.6 40.3 Tyrosine 39.3 39.3 48.0 37.6 34.2 42.8 38.4 70.2 53.7 76.0 33.3 60.5 62.7 34.7 48.1 32.0 45.9 51.7 46.6 61.5 29.3 35.6 64.6 44.1 36.2 36.5 66.3 50.7 35.4 102.4 Methionine 11.8 18.6 16.2 20.1 17.3 19.7 19.8 23.1 18.0 29.0 11.5 18.5 22.3 10.3 16.0 11.2 14.6 15.2 17.1 24.4 13.4 13.6 22.6 16.0 15.6 18.3 23.5 18.6 14.1 26.2 Valine 136.1 175.4 236.0 119.8 181.9 190.1 171.4 203.1 185.4 200.0 130.2 233.9 167.1 130.0 223.1 131.8 138.9 193.6 132.3 238.9 171.2 169.2 192.5 156.5 119.7 214.7 134.8 198.8 178.1 273.9 Isoleucine 57.0 52.9 68.2 36.2 65.1 61.9 45.8 77.4 44.9 89.7 44.8 65.0 52.3 45.7 59.1 36.9 38.3 50.0 43.3 70.2 41.2 62.8 63.6 52.7 41.3 65.6 38.2 59.2 63.4 86.6 allo-Isoleucine 1.8 1.8 1.5 1.9 2.9 2.0 1.1 1.2 1.4 2.1 1.0 1.4 1.1 1.2 1.8 1.0 1.3 0.6 1.4 1.9 1.4 2.2 1.8 1.1 1.1 1.4 1.4 1.5 1.4 1.9 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 0.1 0.3 0.0 0.0 0.0 0.0 0.0 0.0 0.1 0.0 0.0 0.0 0.0 0.0 0.0 Leucine 69.1 111.9 125.2 55.5 101.5 107.4 96.3 126.9 107.6 102.3 74.0 127.3 95.6 71.5 134.4 67.5 71.2 93.9 58.0 128.3 71.3 95.6 96.8 92.8 66.6 118.9 72.9 109.3 87.7 148.5 Phenylalanine 30.7 43.7 55.0 41.5 40.5 50.1 43.6 50.4 59.7 44.5 38.7 55.6 45.6 34.2 59.1 33.9 37.0 41.7 34.1 52.0 29.1 38.0 53.0 52.6 35.0 42.9 54.6 44.5 32.9 57.4 Tryptophan 29.7 29.9 44.5 13.0 24.2 32.6 27.9 49.5 40.8 44.5 27.8 39.2 28.9 29.7 33.6 31.1 29.7 47.8 15.2 31.8 23.3 31.3 47.9 31.1 22.8 22.8 34.1 31.2 24.8 51.9 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