metabolite_name S10R1 S10R2 S10R3 S11R1 S11R2 S11R3 S12R1 S12R2 S12R3 S13R1 S13R2 S13R3 S14R1 S14R2 S14R3 S15R1 S15R2 S15R3 S16R1 S16R2 S16R3 S17R1 S17R2 S17R3 S18R1 S18R2 S18R3 S19R1 S19R2 S19R3 S1R1 S1R2 S1R3 S20R1 S20R2 S20R3 S21R1 S21R2 S21R3 S22R1 S22R2 S22R3 S23R1 S23R2 S23R3 S24R1 S24R2 S24R3 S25R1 S25R2 S25R3 S26R1 S26R2 S26R3 S27R1 S27R2 S27R3 S28R1 S28R2 S28R3 S29R1 S29R2 S29R3 S2R1 S2R2 S2R3 S30R1 S30R2 S30R3 S31R1 S31R3 S32R1 S32R2 S32R3 S33R1 S33R2 S33R3 S34R1 S34R2 S34R3 S35R1 S35R2 S35R3 S36R1 S36R2 S36R3 S37R1 S37R2 S37R3 S38R1 S38R2 S38R3 S39R1 S39R2 S39R3 S3R1 S3R2 S3R3 S40R1 S40R2 S40R3 S41R2 S41R3 S42R1 S42R2 S42R3 S43R1 S43R2 S43R3 S44R1 S44R2 S44R3 S4R1 S4R2 S4R3 S5R1 S5R2 S5R3 S6R1 S6R2 S6R3 S7R1 S7R2 S7R3 S8R1 S8R2 S8R3 S9R1 S9R2 S9R3 Glutathione Disulfide 159736.2857 117768.2857 133884.5714 49438 28185.61404 34175.16129 36094.83871 31395.71429 34621.66667 17554.28571 35276.77419 16949.35484 81106.28571 19929.71429 57577.14286 111756.5714 50572.57143 68941.71429 73956.28571 20557.42857 40945.71429 84083.71429 52544 26454.375 20041.71429 22986 NA 51060.28571 33987.74194 31714.83871 104731.5385 120196.7442 114663.3333 85358.85714 49454.57143 53465.71429 47060.57143 24126 48525.14286 40925.14286 17828.57143 15502.28571 23704.57143 21030.85714 8875.428571 16120.85714 11272.28571 18902.85714 12043.14286 18754 16236 49652.57143 41870 39686.28571 48748.28571 11426.28571 28275.71429 24625.71429 36217.14286 24089.42857 40098.57143 32220 27685.86207 184868.7097 137134.9398 106039.6667 37357.14286 34410.28571 33944 47602.57143 31868.28571 46332.57143 57872.28571 38176.85714 38678.28571 39692.28571 42108.57143 32393.14286 41156 38012.57143 47506.57143 25433.42857 35016 21989.71429 33617.42857 12183.14286 25086.57143 10807.42857 20468.28571 13681.14286 16160.28571 22021.14286 10170.57143 18656.28571 13654.85714 48499.42857 83081.47059 111233.8235 14034.28571 10633.42857 10954.28571 9014 13869.71429 22758.57143 5858.571429 1808.571429 16402.28571 93935.71429 24547.42857 13435.14286 18278.85714 3566.285714 151334 152306.8571 108758.2353 74605.14286 146110.2857 153276.2857 126842.5714 98335.42857 213260.2857 60632.57143 101271.1429 110336 131864.5714 117458.2857 96474.85714 148677.1429 125307.6923 167705.5 Methylthioadenosine 841965.1429 701916 675117.1429 710500 135968.4211 98806.12903 259941.2903 302766 109151.6667 310234.8571 420282.5806 306188.0645 523651.7143 322641.7143 102691.4286 762510.8571 671232.5714 490580.8571 652871.4286 131750.8571 549719.7143 668755.4286 464137.1429 533633.75 326661.4286 93951.71429 NA 329796.8571 286248.3871 376146.7742 151268.4615 385797.6744 273031.1111 192874.5714 642117.4286 348809.1429 206126 155401.4286 245483.1429 200954.2857 114152.5714 136626.2857 175890.2857 121404.8571 116499.4286 94582.28571 164237.1429 130030 80409.42857 143697.1429 104942.8571 185773.1429 180512.5714 193828.5714 128630 107861.7143 258885.7143 80369.42857 114813.4286 71699.14286 152840.2857 104040.5714 175826.2069 608814.1935 292217.1084 521576.3333 135473.4286 86756.28571 92665.14286 120622.2857 118685.1429 147768.5714 187998.5714 107051.1429 237334.2857 125412.8571 187893.4286 114658 105859.7143 133739.7143 127552.8571 95262.85714 147620.5714 187139.4286 143305.7143 237066 196920 135758 123017.7143 96574.57143 170283.1429 145838.2857 147511.1429 113389.1429 164211.4286 380196.5714 723091.1765 644119.7059 74339.71429 100520 121486.5714 117066.8571 126270 155418.8571 106218.5714 138584 104756.5714 173932.2857 155920.2857 87142.28571 113884 92604.57143 838440.5714 869468.8571 723255.8824 659357.4286 574368 859724 530471.7143 370356.2857 435362.5714 302878.2857 402258.2857 371196.5714 851354 466013.1429 361376 798317.1429 866648.8462 1322889.5 Phenylalanine 9635463.674 5453339.11 5609017.271 10010719.85 13513636.44 9857354.896 4547750.162 6423742.272 10616391.12 5949531.947 14213805.18 9015803.709 7942142.122 7807803.231 10776055.4 9229876.264 6217180.079 4954399.538 8845806.047 14768018.43 10432525 9757222.905 6461346.871 5590677.313 6219463.404 9572537.665 10561385.55 5009852.088 5880030.114 6495140.724 6593200.818 4130373.957 3247865.044 5584681.779 14142198.76 5203727.911 13073474.41 12624807.13 17165343.29 31785580.56 10563027.87 12083690.02 14948250.14 16611970.19 24728503.46 11783644.87 13870517.05 11805742.37 7095314.301 12827369.7 8981523.726 9049310.474 6601035.677 2772231.116 9890590.06 8509245.154 5068428.633 6403727.612 8210231.117 4223325.47 14355757.72 12035747.34 11095721.15 9571954.199 6650244.684 5251930.034 8013163.738 5448273.734 3841676.26 2892845.544 5956743.395 8428622.451 10469354.16 9249225.831 7951731.111 6895545.235 4731547.92 9157551.825 18219433.91 8615340.556 11460912.18 6774859.672 9533514.228 8750078.093 10268721.57 5992816.135 7074193.164 11799748.64 9327105.211 4246775.436 4945315.19 6126322.147 7581890.604 7298694.658 10600782.38 10844402.8 8116336.877 10617136.19 13373500.29 5720269.325 5541161.948 3260562.256 4435956.254 5217459.005 5515752.345 8241023.641 7531020.187 6206907.05 7237335.102 7224718.306 8013204.046 7284457.401 8267761.216 10676716.52 7682002.504 4989339.952 8500113.015 7449471.788 21023362.1 6996186.738 5389169.816 7012222.715 5367314.348 6007329.037 5428467.619 5657467.494 7586961.68 6633764.005 7006623.651 9139125.638 metabolite_name CHEBI KEGGNAME quantitated m/z KEGG ID Phenylalanine CHEBI:17295 L-Phenylalanine; (S)-alpha-Amino-beta-phenylpropionic acid 166.086804 C00079 Glutathione Disulfide CHEBI:17858 Glutathione disulfide; GSSG; Oxiglutatione; Oxidized glutathione 613.159793 C00127 Methylthioadenosine CHEBI:17509 5'-Methylthioadenosine; Methylthioadenosine; S-Methyl-5'-thioadenosine; 5-Methylthioadenosine; 5'-Deoxy-5'-(methylthio)adenosine; Thiomethyladenosine; MTA 298.097387 C00170