metabolite_name 1 11 21 4 14 24 2 12 22 5 15 25 7 17 27 9 19 29 8 18 28 10 20 30 C1-1 C1-2 C1-3 Alanine 63.59 65.52 93.61 67 55.42 28.73 77.92 63.05 57.37 71.62 53.2 66.56 2764.22 6189.19 6759.07 4967.78 3754.9 8305.34 4556.43 6223.76 6181.98 3618.12 5644.7 4033.19 7671.28 8075.1 6542.88 Arginine 26.36 26.46 27.29 20.14 18.66 9.5 21.87 26.99 21.35 15.2 9.17 19.41 1523.96 3004.7 3391.08 2216.57 1845.71 3166.86 2518.71 2958.1 2865.49 1871.51 2368.81 1729.62 3710.99 2906.95 2759.67 Asparagine 15.4 13.93 20.05 17.36 10.38 5.12 15.78 10.69 13.1 14.34 7.36 14.1 726 1777.44 2240.23 1281.14 1121.23 1839.29 1062.78 1973.34 1582.44 913.43 1442.58 944.73 1947.95 1834.33 1808.1 Aspartic Acid 34.22 35.39 44.66 21.38 13.14 5.79 25.85 24.29 36.05 37.39 29.36 20.96 1258.76 2450.64 2686.85 2179.03 1485.94 2851.08 1628.99 2666.43 2484.89 1384.81 2226.04 1459.77 3209.61 3288.16 2425.34 Citrulline BLOQ BLOQ BLOQ BLOQ BLOQ BLOQ BLOQ BLOQ BLOQ BLOQ BLOQ BLOQ 51.71 101.81 139.77 71.73 67.34 104.26 71.09 92.57 97.72 57.11 84.98 58.87 133.35 108.45 100.35 Glutamic Acid 180.72 157.71 231.23 233.66 153.61 93.85 204.77 142.14 184.56 210.48 162.52 261.42 2861.44 5764.86 7120.55 4635.08 3153.79 6431.74 3642.75 6679.37 5712.8 3324.45 4687.93 2809.9 7160.8 6638.77 5465.76 Glutamine 40.1 42.95 47.97 49.95 44.63 22.99 40.06 35.84 30.17 75.24 44.69 38.46 217.06 1466.22 750.73 291.7 126.27 628.76 525.95 382.82 747.98 157.39 269.99 392.02 386.5 363.23 373.03 Glycine 12.66 11.63 15.02 13.9 10.36 4.01 11.34 11.12 13.76 20.06 10.73 16.78 1297.86 2418.86 2935.12 1906.37 1560.66 2638.31 1697.67 2307.89 2149.71 1315.08 1766.34 1253.34 2676.35 2565.68 2257.13 Histidine 5.7 4.39 5.25 4.09 3.64 2.11 5.33 4.11 4.03 5.42 2.6 4.73 338.47 677.18 762.62 501.45 468.96 781.05 489.65 820.38 656.9 386.83 621.33 432.91 813.9 844.46 655.36 Isoleucine 5.7 6.93 8.8 6.96 5.83 3.16 7.29 6.45 6.84 7.19 6.72 6.13 1649.92 3277.65 4071.57 2654.8 1915.18 3838.92 2394.5 3729.55 3158.03 1782.01 3134.96 1981.96 3926.18 3497.43 3395.17 Leucine 17.5 18.34 27.8 14.83 18.22 9.11 20.41 17.6 17.81 16.68 13.67 14.03 4356.19 10327.36 11004.05 7788.71 5151.96 9453.97 5596.2 10952.9 8930.55 4229.27 7599.4 5570.03 12301.86 11867.64 7939.2 Lysine 62.74 72.16 67.62 60.85 45.54 20.66 59.5 50.1 68.07 84.16 35.36 60 3704.87 7680.9 9779.02 5660.48 4100.94 8417.01 4749.27 8536.56 7465.01 3700.51 6192.09 3824.93 8487.13 8504.99 6594.41 Methionine 6.86 7.39 9.32 6.54 5.68 3.15 7.3 5.78 6.32 6.22 5.02 6.67 739.29 1342.75 1649.82 1175.52 876.78 1769.53 1035.38 1616.35 1323.12 844.27 1166.23 943.43 1570.22 1601.39 1467.07 Ornithine 3.63 3.29 3.48 2.93 2.47 2.34 3.7 3.06 2.93 2.27 1.75 2.41 205.4 547.61 597.52 356.7 282.87 560.72 311.13 478.41 478.81 259.59 388.45 250.75 493.91 466.96 431.37 Phenylalanine 8.77 9.86 10.9 7.92 9.03 4.72 10.77 8.87 10.63 7.76 7.38 8.49 1745.85 3810.04 4308 3452.09 2570.33 4837.92 2477.64 3853.38 3746.45 2479.44 3413.31 2531.55 4994.28 3984.23 3655.32 Proline 4.96 4.52 6.32 5.08 4.1 1.85 4.86 3.87 4.2 8.82 4.01 5.94 551.43 1196.26 1514.45 905.57 730.56 1305.38 949.38 1399.84 1223.53 680.18 1059.11 787.23 1579.17 1330.42 1238.24 Serine 13.01 13.43 17.67 20.6 11.26 5.1 12.74 11.12 12.09 20.07 11.78 14.97 1756.6 3601.82 3708.88 3329.27 1781.81 4203.32 2057.89 3239.32 3211.2 2053.08 2917.44 1834.56 3690.11 3756.73 3282.58 Threonine 26.58 24.48 32.53 21.21 17.39 9.31 28.34 21.26 20.54 22.44 16.67 22.74 1281.24 2640.8 3264.53 2173.82 1292.23 3335.46 2144.62 3196.7 2896.58 1649.73 2984.75 1565.96 3607.06 3421.15 3006.43 Tryptophan 3.76 3.34 4.28 3.25 3.43 2.09 3.95 3.79 3.47 3.91 2.65 3.74 388.38 734.16 939.59 640.16 499.24 884.18 521.14 929.64 845.2 469.27 638.16 554.19 1007.64 933.78 872.19 Tyrosine 2.91 2.55 3.78 3.22 3.1 1.43 3.1 2.87 2.84 4.13 2.36 3.35 454.84 912.05 961.42 744.47 508.63 1068.96 714.91 1035.46 857.09 577.04 924.57 539.37 1247.57 1251.13 885.5 Valine 12.41 12.35 14.89 9.73 7.91 3.44 12.4 10.57 11.03 11.07 6.6 9.9 2362.54 4182.18 5767.51 3623.66 2684.55 5239.14 2937.41 4948.94 3999.9 2292 4091.7 2965.81 5861.79 5207.83 4480.71 metabolite_name Retention Index Moverz Quant PubChem CID Alanine 4.16 260.17, 171 5950 Arginine 2.68 345.21, 170.9 6322 Asparagine 2.25 303.13, 170.9 6267 Aspartic Acid 2.99 304.11, 171 5960 Citrulline 3.33 346.21, 171 9750 Glutamic Acid 3.35 318.11, 171.1 33032 Glutamine 2.65 317.21, 171 5961 Glycine 2.81 246.08, 170.9 750 Histidine 2.07 326.21, 110 6274 Isoleucine 8.15 302.21, 170.9 6306 Leucine 8.26 302.21, 170.9 6106 Lysine 6.66 487.21, 170.9 5962 Methionine 6.87 320.21, 170.9 6137 Ornithine 5.93 473.22, 170.9 6262 Phenylalanine 8.4 336.21, 170.9 6140 Proline 4.84 286.16, 171 145742 Serine 2.6 276.11, 170.9 5951 Threonine 3.74 290.11, 170.9 6288 Tryptophan 8.54 375.21, 171 6305 Tyrosine 6.66 352.21, 170.9 6057 Valine 7.09 288.21, 171 6287