metabolite_name SA001 SA002 SA003 SA004 SA005 SA006 SA007 SA008 SA009 SA010 SA011 SA012 SA013 SA014 SA015 SA016 SA017 SA018 SA019 SA020 SA021 SA022 SA023 SA024 SA025 SA026 SA027 SA028 SA029 SA030 SA031 SA032 SA033 SA034 SA035 SA036 SA037 SA038 SA039 SA040 SA041 SA042 SA043 SA044 SA045 SA046 SA047 SA048 SA049 SA050 SA051 SA052 SA053 SA054 SA055 SA056 SA057 SA058 Lactate 8.34 5.55 6.94 12.7 18.39 6.8 9.31 15.53 7.18 13.72 19.03 36.26 26.77 34.12 16.88 6.85 75.07 208.57 49.62 18.34 23.32 46.71 18.01 24.23 20.93 23.46 39.3 5.03 15.24 27.03 38.32 50.64 94.27 17.63 23.24 12.99 19.81 14.75 74.53 19.83 70.81 31.38 25.52 26.15 121.54 24.56 98.27 13.82 90.02 12.67 21.76 9.82 18.84 42.26 23.45 Pyruvate 3.37 2.99 5.9 4.02 5.45 3.54 3.55 5.88 3.64 4.04 5.39 7.27 12.72 12.29 9.27 5.42 1.95 16.79 40.39 12.22 4.63 9.32 15.74 9.77 11.3 8.33 7.93 13.47 2.43 15.31 12.43 22 16.59 15.85 2.07 8.17 5.95 7.07 5.98 15.22 10.39 9.02 11.4 12.12 8.96 21.37 11.09 9.84 6.26 7.23 7.92 7.13 7.8 7.72 13.45 8.36 _3_HBA 7.29 7.57 10.46 13.06 14.52 10.29 7.4 11.98 10.64 8.79 11.28 19.21 29.27 17.98 14.17 16.01 8.06 14.77 41.92 32.64 34.82 16.04 23.27 9.65 15.27 14.5 11.2 27.15 6.24 17.36 23.21 30.52 22.62 37.13 24.59 8.22 5.4 12.19 17.97 34.82 18.32 28.25 17.06 55.65 32.6 21.24 14.5 31.59 13.35 63.78 17.24 5.52 8.78 12.83 16.88 11.49 Succinate 3.03 1.76 2.01 18.83 3.77 4.25 6.94 3.37 3.67 8.35 1.63 1.92 9.57 5.16 5.26 16.7 3.1 6.66 13.57 6.74 4.66 4.52 2.82 6.17 14.85 4.37 3.23 14.54 1.93 1.98 9.29 10.02 9.35 2.45 46.47 9.2 1.06 3.85 3.77 14.1 5.04 52.98 3.59 5.77 2.66 2.33 8.2 17.14 2.9 3.11 5.84 1.15 1.77 1.63 7.15 3.46 Fumarate 0.22 0.23 0.39 1.43 0.28 0.31 0.42 0.53 0.9 0.63 0.51 0.95 3.24 1.73 3.61 0.8 0.23 1.37 5.47 1.48 0.69 0.82 1.68 1 1.29 0.47 0.6 1.72 0.16 0.64 0.74 4.36 9.64 1.39 0.58 0.71 0.35 0.54 0.69 4.12 1.27 2.49 0.79 1.25 0.9 0.37 0.88 1.51 0.55 3.51 0.6 0.42 0.5 0.23 0.71 0.61 Malate 0.66 0.92 0.95 3.8 1.17 1.33 1 1.81 1.82 2.36 1.29 3.62 8.65 4.2 7.93 2.37 0.67 3.56 13.84 5.75 2.04 2.87 5.19 2.02 3.7 1.79 4.96 5.1 0.55 1.62 1.82 12.84 16.82 5 2.63 1.95 1 1.85 2.06 10.82 2.51 6.96 2.27 2.28 2.54 1.75 2.09 3.63 1.86 9.18 2.28 1.05 1.09 0.93 2.58 1.31 a-KG 6.95 10.98 16.41 2.64 11.48 4.02 14.65 22.83 28.06 23.77 13.73 21.28 151.68 62.79 65.54 40.57 8.17 32.01 114.31 43.2 24.38 38.62 40 38.7 56.86 38.88 26.64 78.41 7.77 24.82 17 238.29 92.35 28.31 22.63 47.59 10.89 24.42 30.07 95.58 28.28 14.31 41.47 39.94 23.23 18.69 28.23 17.7 27.96 17.38 34.9 8.97 24.44 16.55 52.95 15.86 Citrate 400.44 350.49 256.04 638.98 457.95 155.51 378.47 376.3 365.7 424.89 266.5 218.68 1436.03 428.25 563.71 403.11 154.9 385.18 923.81 1336 593.32 604.95 682.81 906.13 1178.6 491.02 219.82 818.72 38.38 193.24 248.15 507.45 106.7 902.9 237.78 50.29 409.43 559.9 581.1 722.02 598.15 247.27 839.62 251 98.01 369.78 255.13 165.94 220.23 262.93 169.76 116.26 206.75 505.31 151.12 metabolite_name Retention Index Moverz Quant PubChem CID Lactate 3.98 196.1, 91.062 107689 Pyruvate 6.68 299.1, 91.186 1060 _3_HBA 4.21 210.1, 91.153 441 Succinate 5.44 329.1, 206.233 1110 Fumarate 5.59 327.1, 91.192 444972 Malate 5.28 345.1, 91.18 525 a-KG 6.59 462.2, 91.2 164533 Citrate 5.95 508.25, 385 311