metabolite_name ms5629-1 ms5629-2 ms5629-3 ms5629-4 ms5629-5 ms5629-6 ms5629-7 ms5629-8 ms5629-9 ms5629-10 ms5629-11 ms5629-12 ms5629-13 ms5629-14 ms5629-15 ms5629-16 ms5629-17 ms5629-18 ms5629-19 ms5629-20 ms5629-21 ms5629-22 ms5629-23 ms5629-24 ms5629-25 ms5629-26 ms5629-27 ms5629-28 ms5629-29 ms5629-30 ms5629-31 ms5629-32 ms5629-33 ms5629-34 ms5629-35 ms5629-36 Histidine 36.8 35.4 36.0 52.4 40.2 47.9 33.0 37.5 28.5 32.0 25.7 34.8 42.1 39.6 26.4 35.9 26.3 35.7 30.8 24.1 32.5 24.7 32.1 27.7 20.7 26.9 25.9 27.8 29.9 21.4 19.5 18.2 16.0 22.1 21.3 21.7 Hydroxyproline 14.7 17.0 18.6 19.0 20.0 14.8 12.2 14.9 14.9 19.5 16.1 16.8 22.3 19.3 12.8 15.4 13.5 11.4 20.7 15.9 24.3 13.7 21.5 20.0 18.0 14.3 14.4 18.6 19.7 15.9 17.2 8.3 7.8 9.3 9.4 9.6 1-Methylhistidine 0.0 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 1.1 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 3-Methylhistidine 1.5 7.2 6.9 7.3 7.2 7.5 2.6 6.6 4.6 5.7 1.7 1.3 3.4 1.6 4.6 5.5 3.7 5.1 3.4 3.0 7.9 3.7 5.1 10.7 6.7 6.0 3.4 5.9 3.5 3.6 4.4 2.3 4.4 7.3 2.9 4.5 Phosphoethanolamine 4.9 4.5 6.8 5.1 6.2 8.2 7.3 7.4 6.6 7.9 6.4 6.9 7.4 12.3 5.9 8.7 6.0 6.5 7.3 5.8 7.5 6.2 9.5 4.0 6.3 7.0 7.2 8.7 5.5 4.5 7.5 9.9 4.8 6.7 7.1 7.1 Carnosine 0.0 1.1 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 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 Ethanolamine 8.6 10.9 15.4 17.9 16.2 22.1 19.7 10.9 8.6 12.5 9.8 10.6 13.5 20.0 19.2 24.4 20.1 15.7 16.9 10.2 19.3 15.0 12.9 15.7 14.5 13.1 12.4 12.2 9.3 8.8 12.4 17.0 13.3 16.2 16.6 14.1 Aspartic Acid 7.7 6.8 12.5 6.6 10.6 9.9 11.6 8.1 7.6 10.4 8.8 10.2 13.5 13.3 10.3 13.7 9.3 10.3 14.0 8.7 23.0 10.1 13.7 6.9 8.7 11.4 8.9 9.3 7.4 6.8 12.8 9.0 5.7 7.4 10.3 9.3 Sarcosine 0.8 1.9 1.0 0.6 1.5 0.4 0.8 0.5 0.5 0.8 0.5 0.6 1.1 0.0 0.0 0.0 0.3 0.5 1.1 1.1 1.7 0.9 0.5 2.3 1.6 0.8 0.6 1.0 0.9 0.8 0.8 0.0 0.0 0.2 0.0 0.2 beta-alanine 1.0 2.5 1.4 0.8 2.1 0.5 1.0 0.6 0.6 1.1 0.5 0.7 1.5 -0.1 -0.2 -0.2 0.5 0.9 1.4 1.4 2.6 1.1 0.6 3.1 2.1 1.0 0.8 1.4 1.0 1.0 1.0 -0.1 -0.1 0.3 0.0 0.2 gamma-Amino-N-butyric-acid 0.1 0.1 0.2 0.2 0.3 0.9 1.2 0.2 0.1 0.2 0.1 0.1 0.1 0.2 0.3 0.2 0.2 0.3 0.2 0.1 0.4 0.2 0.2 0.2 0.2 0.2 0.2 0.1 0.2 0.1 0.2 0.2 0.2 0.1 0.5 0.1 alpha-Aminoadipic-acid 12.4 5.6 9.0 6.2 6.8 3.3 3.7 14.1 7.2 8.3 8.2 5.8 6.0 10.9 15.2 15.3 10.5 11.0 6.4 7.8 9.2 7.0 12.1 10.7 7.5 6.5 7.4 7.2 11.5 6.6 9.1 11.5 11.2 10.4 9.6 14.2 beta-Aminoisobutyric-acid 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 0.1 0.1 0.1 0.0 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 0.0 0.0 0.0 0.0 0.0 0.0 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 0.9 1.2 0.8 0.5 0.8 0.5 0.2 0.5 0.4 0.3 0.4 0.3 0.6 0.0 0.0 0.0 0.1 0.0 0.4 0.2 0.5 0.3 0.6 0.4 0.4 0.4 0.2 0.0 0.4 0.3 0.2 0.0 0.0 0.0 0.0 0.0 alpha-Amino-N-butyric-acid 5.2 2.8 3.1 3.9 4.2 3.3 3.6 3.0 2.2 3.5 1.8 4.1 4.2 38.7 52.4 58.3 3.1 6.6 3.4 5.0 1.7 2.5 2.2 7.1 3.0 3.6 3.9 3.8 2.7 2.2 1.6 10.1 8.7 4.6 9.4 8.3 Cystathionine 1 2.2 3.0 2.2 1.6 2.8 1.5 0.7 0.9 0.3 2.0 0.6 2.1 1.7 2.1 1.4 3.2 1.1 3.2 1.9 6.4 2.6 1.7 1.7 5.3 3.9 0.9 1.7 0.9 1.1 2.1 1.3 1.1 0.5 3.2 2.3 2.2 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 Methionine 78.4 129.2 55.2 64.7 96.4 61.2 34.6 60.4 62.6 55.4 64.8 52.3 74.7 59.6 57.2 82.2 62.9 65.7 72.1 63.6 107.4 58.0 77.1 97.0 84.8 51.9 42.4 46.5 70.9 62.4 69.5 40.4 41.8 48.5 51.4 50.6 allo-Isoleucine 0.0 0.6 0.7 0.0 0.0 0.0 0.0 0.0 0.0 0.5 0.0 0.0 0.0 0.0 0.0 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 0.4 0.0 0.2 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 Asparagine 45.0 77.7 43.0 68.7 66.4 76.4 60.6 60.2 54.0 53.6 44.4 50.3 83.0 65.7 68.3 104.0 73.2 101.1 55.3 51.3 78.7 37.3 51.1 88.1 63.3 42.3 39.2 60.0 59.7 68.5 38.7 42.9 59.2 47.7 79.2 91.6 Arginine 80.8 107.4 97.5 74.4 89.1 62.0 48.7 61.1 51.4 65.0 79.9 53.1 95.1 74.5 30.5 61.9 54.3 97.7 94.4 70.6 157.3 75.4 89.4 98.6 82.0 93.9 67.4 54.0 92.5 70.3 60.6 58.3 41.2 55.1 54.6 65.2 Taurine 446.4 587.1 723.3 608.3 573.3 530.1 518.1 521.4 388.9 574.6 431.1 438.2 626.7 895.4 854.9 1187.3 703.2 991.5 745.3 572.5 1027.8 577.4 636.3 661.4 564.5 577.6 604.2 662.4 510.4 383.5 555.2 627.8 545.9 673.1 750.7 832.9 Serine 121.4 180.4 143.6 156.5 173.0 151.6 135.0 167.6 145.6 143.7 134.0 161.7 224.1 152.9 156.4 225.8 188.1 252.5 138.5 130.1 190.4 108.4 152.9 172.8 137.9 140.2 133.1 166.6 171.5 171.2 123.7 105.2 115.1 143.3 209.4 200.2 Glutamine 456.5 438.1 660.2 624.8 573.6 581.7 688.0 432.8 446.2 620.3 586.7 557.4 787.5 703.0 738.0 1082.6 725.3 748.7 632.8 504.3 616.3 534.7 634.7 729.1 654.6 651.2 609.6 617.5 624.8 454.8 359.0 619.8 618.1 556.1 751.3 878.9 Glycine 221.7 379.5 281.5 329.8 336.3 290.8 263.0 323.3 267.1 290.1 235.3 248.0 372.3 146.8 135.4 148.9 291.3 307.6 249.5 214.8 312.7 214.8 226.4 320.7 255.2 247.0 274.3 373.7 254.6 247.0 224.5 128.1 142.5 230.3 223.3 244.4 Citrulline 40.6 69.8 66.3 67.4 67.7 61.0 60.7 29.4 36.0 49.7 34.4 30.9 59.1 61.1 55.9 94.5 61.7 72.9 68.0 62.8 99.5 56.5 53.8 98.4 77.6 60.7 45.5 49.1 46.0 33.9 43.3 40.0 45.1 44.8 66.7 55.4 Glutamic Acid 32.1 34.5 78.3 30.8 39.8 47.7 53.8 40.0 33.2 49.9 33.9 35.6 55.2 64.6 48.4 71.7 33.3 46.1 53.7 37.9 100.1 47.7 59.0 28.0 40.2 51.7 45.6 55.5 41.7 29.4 56.0 41.5 24.0 39.5 37.5 34.8 Threonine 147.7 228.8 137.5 128.9 159.8 93.0 81.6 155.9 141.3 139.2 130.1 135.2 202.0 193.0 195.3 252.6 200.8 188.8 134.0 151.7 197.4 116.4 162.4 176.2 129.5 121.2 113.8 120.7 184.2 166.6 118.2 112.6 117.3 166.4 187.4 194.7 Alanine 384.0 678.0 461.9 755.8 621.1 585.7 435.1 417.1 415.4 464.1 346.9 452.8 937.1 642.7 655.5 905.4 754.3 1009.9 470.9 441.0 802.3 382.9 475.9 954.1 603.0 423.5 330.4 545.2 460.4 404.3 391.1 358.8 434.6 397.0 776.8 683.9 Proline 104.4 154.7 91.4 111.9 128.0 129.1 76.4 88.8 83.9 79.7 77.0 61.0 138.9 98.9 80.9 147.7 111.0 127.6 102.7 84.9 167.3 74.8 101.7 173.4 116.8 75.9 61.9 80.5 96.0 83.2 72.8 51.6 60.7 62.5 99.5 92.0 Ornithine 49.6 63.1 45.3 42.1 39.8 38.1 36.7 42.7 43.8 40.1 43.9 41.1 70.0 51.0 73.0 94.9 44.4 44.3 44.7 32.4 49.2 28.9 46.5 39.4 26.7 38.7 33.4 42.8 47.2 39.9 34.4 19.4 21.4 22.8 32.4 31.6 Lysine 343.7 384.7 274.4 275.2 272.3 198.1 158.8 317.5 298.0 337.8 337.9 306.1 451.3 394.3 298.0 466.7 399.5 422.3 291.3 291.5 371.5 255.3 322.4 382.7 253.5 272.3 269.4 256.5 409.8 318.5 258.2 234.9 194.3 272.6 293.3 276.7 Cystine 13.7 8.5 6.7 11.0 11.1 7.8 2.0 14.8 7.7 5.9 15.9 5.4 4.5 3.7 9.1 9.5 16.0 16.4 10.9 9.5 14.9 4.2 19.0 39.7 4.7 7.8 6.9 7.2 21.2 16.3 3.9 7.7 9.7 7.1 14.8 15.4 Tyrosine 88.9 150.5 85.1 85.9 101.4 119.4 80.2 96.9 83.2 81.3 77.7 53.7 71.5 69.8 72.1 84.1 61.5 88.5 63.6 68.9 121.1 62.9 68.3 103.0 74.5 58.2 48.0 59.5 78.3 78.1 67.7 43.2 43.5 40.3 57.2 60.7 Valine 192.5 226.3 153.6 164.0 223.6 163.1 136.2 158.8 147.6 177.1 164.1 177.5 229.5 198.5 207.5 261.6 221.7 273.5 184.0 188.1 259.5 163.3 172.2 225.2 156.4 169.1 168.2 219.5 203.5 193.4 138.9 140.0 148.3 158.5 219.2 245.9 metabolite_name Histidine Hydroxyproline 1-Methylhistidine 3-Methylhistidine Phosphoethanolamine Carnosine Anserine Ethanolamine Aspartic Acid Sarcosine beta-alanine gamma-Amino-N-butyric-acid alpha-Aminoadipic-acid beta-Aminoisobutyric-acid Hydroxylysine 1 Hydroxylysine 2 alpha-Amino-N-butyric-acid Cystathionine 1 Cystathionine 2 Methionine allo-Isoleucine Homocystine Asparagine Arginine Taurine Serine Glutamine Glycine Citrulline Glutamic Acid Threonine Alanine Proline Ornithine Lysine Cystine Tyrosine Valine