metabolite_name Raji_001 Raji_002 Raji_003 Raji_004 Raji_005 Raji_006 Raji_007 Raji_008 Raji_009 Raji_010 Raji_011 Raji_012 Raji_013 Raji_014 Raji_015 Raji_016 Raji_017 Raji_018 Raji_019 Raji_020 Raji_021 Alanine 8.61 9.38 10.48 11.99 16.05 30.50 20.10 20.93 \N 40.58 21.65 33.49 28.70 41.31 38.33 21.57 13.50 19.53 14.94 21.99 19.71 Arginine 2.84 3.06 3.24 5.56 6.37 17.80 10.56 14.12 \N 4.47 4.23 5.79 14.58 25.38 24.73 3.87 4.44 5.30 7.75 8.40 6.74 Asparagine 5.27 5.82 6.22 7.65 8.25 22.21 10.36 14.29 \N 16.55 11.74 14.61 14.60 23.72 20.60 14.11 7.58 13.34 13.24 16.64 14.67 Aspartate \N \N \N \N \N \N \N \N \N 1.68 1.47 1.64 1.41 2.16 \N 2.06 \N 2.18 2.46 3.34 2.48 Citrulline \N \N 2.68 2.54 2.26 \N \N 3.33 \N 20.13 11.26 14.37 \N \N \N 5.53 4.52 5.79 \N \N \N Glutamate 64.58 68.59 87.80 87.61 83.22 243.36 95.63 163.08 \N 94.78 100.75 87.35 133.78 165.10 147.41 102.30 29.68 147.29 129.14 161.97 151.39 Glutamine \N \N \N \N \N \N \N \N \N \N \N \N \N \N \N 39.36 \N 50.85 30.62 41.25 28.92 Glycine 9.85 13.34 14.00 18.42 18.42 48.88 22.98 33.27 \N 64.83 40.12 46.89 58.87 74.77 67.83 23.51 18.23 18.28 21.51 28.23 27.52 Histidine 0.81 0.95 1.09 1.44 1.71 3.61 1.92 2.28 \N 3.53 2.39 3.37 2.93 4.14 4.27 2.00 1.25 1.92 2.38 2.45 2.81 Isoleucine 1.94 2.16 2.78 2.97 4.46 9.92 5.05 8.62 \N 12.85 5.84 8.92 8.21 13.29 13.58 5.07 4.35 4.13 5.25 7.75 7.39 Leucine 2.01 2.43 2.51 3.79 4.11 10.21 5.39 6.88 \N 10.28 5.95 9.47 9.67 11.16 11.97 4.70 4.60 4.08 5.30 8.05 6.57 Lysine \N \N \N \N \N \N \N \N \N 3.00 2.47 3.23 2.37 4.22 3.93 \N \N \N \N \N \N Ornithine \N \N \N \N \N \N \N \N \N 3.88 2.07 2.43 \N \N \N \N 1.91 \N \N \N \N Phenylalanine 0.79 0.60 0.93 1.21 1.28 2.69 1.34 2.01 \N 3.24 2.34 2.75 2.59 3.54 3.68 1.30 1.49 1.32 1.78 2.38 1.99 Proline 16.13 18.89 21.35 22.58 28.71 49.00 29.29 45.93 \N 96.14 64.74 92.85 62.81 91.97 79.31 27.09 34.44 29.56 22.77 26.83 29.85 Serine \N \N \N \N \N 3.58 2.46 3.98 \N 2.15 1.70 1.80 3.64 5.03 4.09 8.47 \N 7.19 5.99 9.61 7.59 Threonine \N \N \N \N 3.64 7.96 4.27 7.45 \N 6.21 4.16 6.09 5.13 8.30 7.29 6.68 \N 5.32 6.30 6.94 7.41 Tryptophan \N \N \N \N \N 1.36 \N \N \N 0.93 0.78 0.94 0.91 1.49 1.24 \N \N \N \N \N 0.97 Tyrosine \N \N \N \N 1.91 4.60 1.95 3.06 \N 4.16 3.06 3.98 3.21 6.35 6.22 2.22 \N 1.83 2.86 2.94 3.56 Valine \N \N \N \N \N \N \N \N \N 4.12 2.94 3.94 4.03 6.99 5.25 \N \N \N \N \N \N metabolite_name retention index quantified m/z PubChem ID KEGG ID Alanine 4.16 260.17 5950 Arginine 2.68 345.21 6322 Asparagine 2.25 303.13 6267 Aspartate 2.99 304.11 5960 Citrulline 3.33 346.21 9750 Glutamate 3.35 318.11 33032 Glutamine 2.65 317.21 5961 Glycine 2.81 246.08 750 Histidine 2.07 326.21 6274 Isoleucine 8.15 302.21 6306 Leucine 8.26 302.21 6106 Lysine 6.66 487.21 5962 Ornithine 5.93 473.22 6262 Phenylalanine 8.40 336.21 6140 Proline 4.84 286.16 145742 Serine 2.60 276.11 5951 Threonine 3.74 290.11 6288 Tryptophan 8.54 375.21 6305 Tyrosine 6.66 352.21 6057 Valine 7.09 288.21 6287