{"text_format":"1","workbook":"xlsx","n_sheets":19,"sheets":["Blank","Information","Grouping","Diff01","Diff01_Map","HeatMap","Result_Diff","No01_Glycolysis","No02_Nucleic acid","No03_Urea","No04_Cysteine","No05_Vitamin","No06_Fattyacid","No07_PC","No08_PE_DG","No09_TG","No10_Tyrosine","No11_Bile acid","No12_Conjugation"],"not_rendered":{"charts":0,"images":218,"macros":1,"external_links":0,"defined_names":0,"comments":0,"pivot_tables":0},"unopened":[],"bounds":{"document_bytes":16777216,"sheet_cells":100000,"rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0,"cell_chars":16384,"cell_head_chars":4096},"cells_cut":0,"cells_raw":0,"read":"whole","date_system":"1900"}

{"sheet":"Blank","index":0,"n_rows":0,"n_cols":0,"rows_kept":0,"cut":false,"hidden":true,"merged":[]}

{"sheet":"Information","index":1,"n_rows":62,"n_cols":5,"rows_kept":62,"cut":false,"hidden":false,"merged":[]}
["1. マクロを有効にする"]
[null,"ファイルを開いたときに「マクロを有効にしますか？」と聞かれます"]
[null,"「マクロを有効にする」を選択します"]
[]
["2. シートの種類"]
[null,"Grouping","Rawデータ"]
[null,"Diff01","Mean fold changes and p-values for Diabetes vs Controls"]
[null,"Diff01_Map","Differential map for Diabetes vs Controls"]
[null,"HeatMap","全グループのヒートマップ"]
[null,"Result_Diff","すべての変動率の集計結果"]
[null,"No01_Glycolysis","Glycolysis, TCA, およびPentose phosphate代謝"]
[null,"No02_Nucleic acid","Purine, およびPyrimidine代謝"]
[null,"No03_Urea","Urea, Polyamine, およびCreatine代謝"]
[null,"No04_Cysteine","Cysteine代謝"]
[null,"No05_Vitamin","Nicotinate, Vitamin, およびThiamine代謝"]
[null,"No06_Fattyacid","Free fatty acid代謝"]
[null,"No07_PC","Phosphatidylcholines代謝"]
[null,"No08_PE_DG","Phosphatidylethanolamines およびDiacylglycerol代謝物"]
[null,"No09_TG","Triacylglycerol代謝物"]
[null,"No10_Tyrosine","Tyrosine代謝"]
[null,"No11_Bile acid","Bile acid代謝"]
[null,"No12_Conjugation","Drug Conjugatioｎ"]
[]
["2. データの見方"]
[null,"Grouping","A: Retention time (Elution time)"]
[null,null,"B: m/z"]
[null,null,"C: Metabolite ID"]
[null,null,"D: Metabolite"]
[null,null,"E: Metabolism category"]
[null,null,"F: Method"]
[null,null,"G以降: Relative concentration"]
[null,null,"1: Sample Name"]
[null,null,"2: Group Name"]
[null,"Diff","Mean(水色）：コントロールの平均値"]
[null,null,"SD（水色）：コントロールの標準偏差"]
[null,null,"Mean(黄色）：実験群の平均値"]
[null,null,"SD（黄色）：実験群の標準偏差"]
[null,null,"P Value：T-test P value"]
[null,null,"T-TEST:  *: < 0.05,  **: < 0.01"]
[null,null,"Separation: *: 2群が完全に分離されるケース"]
[null,null,"Ratio: コントロールに対する実験群の変動率(P<0.05：カラー表示）"]
[null,null,null,3.0202579550039652,"3倍以上"]
[null,null,null,1.9086491739552964,"1.5～3倍"]
[null,null,null,1.440366972477064,"1.2～1.5倍"]
[null,null,null,0.63096695226438182,"0.5～0.8倍"]
[null,null,null,0.40965517241379307,"0.1～0.5倍"]
[null,null,null,0.08,"0.1倍以下"]
[null,"Diff_Map","横軸：コントロールに対する増減率"]
[null,null,"縦軸：P値（対数）　（上方向：低P値）"]
[null,"Result Diff","A: Metabolism category"]
[null,null,"B: Metabolite ID"]
[null,null,"C: Metabolite"]
[null,null,"F: Method"]
[null,null,"G: Retention time (Elution time)"]
[null,null,"H: m/z"]
[null,null,"D-E: Ratio and P value"]
["4. マクロ"]
[null,"Diff","目的の行をダブルクリックすると新しいシートが作成され、グラフが表示されます"]
[null,"Diff_Map","○にカーソルを合わせると代謝物名が表示されます。"]
[null,null,"○をクリックするとDiffシートに移動し、さらにアクティブセルをダブルクリックするとグラフが表示されます。"]
[null,"Result Diff","目的のセルをダブルクリックすると新しいシートが作成され、2群間のグラフが表示されます。"]
[null,null,"代謝物名をダブルクリックすると、すべての群間のグラフが表示されます。"]

{"sheet":"Grouping","index":2,"n_rows":408,"n_cols":18,"rows_kept":408,"cut":false,"hidden":false,"merged":[]}
["Rt","Ms","Number","Name","Category","Method","rat liver_1-1","rat liver_1-2","rat liver_1-3","rat liver_1-4","rat liver_1-5","rat liver_1-6","rat liver_2-1","rat liver_2-2","rat liver_2-3","rat liver_2-4","rat liver_2-5","rat liver_2-6"]
["Class1",null,null,null,null,null,"Diabetes","Diabetes","Diabetes","Diabetes","Diabetes","Diabetes","Controls","Controls","Controls","Controls","Controls","Controls"]
[2.2200000000000002,297.24099999999999,"C08365","Ricinoleic acid(18:1-OH)","Fatty Acid","Lipid LC Neg",140,56,54,44,55,74,85,116,70,78,90,80]
[3.49,465.30689999999998,"C18043","Cholesterol sulfate","Steroids","Lipid LC Neg",281,642,388,522,390,460,346,494,482,386,404,463]
[4.0599999999999996,283.2663,"C01530","Octadecanoic acid(18:0)","Fatty Acid","Lipid LC Neg",48096,33383,30124,26659,34756,24220,31756,22520,22464,19960,23972,23515]
[5.07,337.30869999999999,"M00353","Erucic acid(22:1)","Fatty Acid","Lipid LC Neg",0,74,150,94,62,107,632,111,141,87,118,91]
[6.22,339.32850000000002,"M00352","Docosanoic acid(22:0)","Fatty Acid","Lipid LC Neg",0,156,156,137,119,156,250,110,154,89,138,179]
[7.5478787878787879,367.3601727272727,"C08320","Tetracosanoic acid(24:0)","Fatty Acid","Lipid LC Neg",195,368,317,309,304,382,458,286,338,240,342,269]
[2.57,480.29610000000002,"S10129","Lyso PE(18:1)","Lyso PE","Lipid LC Pos",434,296,437,349,319,432,452,352,456,296,432,326]
[3,482.3168,"S10128","Lyso PE(18:0)","Lyso PE","Lipid LC Pos",3249,2476,3158,2904,2216,3138,2016,2177,2026,2242,2514,2264]
[5.76,811.5222097560976,"M00479","16:0 PI","Phosphatidyl inositol","Lipid LC Pos",156,294,352,306,224,309,347,232,372,353,376,240]
[5.84,830.56150000000002,"S10211","PC(40:8)","Other Group","Lipid LC Pos",8384,6894,7232,10788,7455,7122,8978,7872,15544,8130,15026,9506]
[5.84,832.56730000000005,"S10205","PC(40:7)","Other Group","Lipid LC Pos",1416,996,1030,1486,1116,1043,1199,1104,2080,1082,2020,1331]
[5.92,764.5077,"S10208","PE(38:6)","Other Group","Lipid LC Pos",0,65,55,52,58,58,54,56,72,52,76,77]
[6.19,688.4914,"S10133","PE(32:2)","Phosphatidylethanolamine","Lipid LC Pos",0,79,63,48,54,70,30,43,66,48,50,41]
[6.56,782.5616,"S10097","PC(36:4)","Phosphatidylcholine","Lipid LC Pos",11318,9256,15604,10346,9262,12134,13170,9318,22980,10385,18830,10706]
[6.96,740.5145,"M00418","PE(36:4)","Phosphatidylethanolamine","Lipid LC Pos",96592,71654,67288,70046,67554,70277,44988,66318,66130,64010,77828,67192]
[7.12,690.49590000000001,"S10132","PE(32:1)","Phosphatidylethanolamine","Lipid LC Pos",172,124,128,210,198,162,101,150,174,152,174,205]
[7.13,808.57730000000004,"S10148","PC(38:5)","Other Group","Lipid LC Pos",77239,82056,90240,76816,70662,82180,69371,81616,116147,77150,115815,93960]
[7.16,830.55939999999998,"S10149","PC(40:8)","Other Group","Lipid LC Pos",10230,6386,4100,5003,5928,3764,4766,6598,7368,5938,7918,6366]
[7.3,716.5145,"S10136","PE(34:2)","Phosphatidylethanolamine","Lipid LC Pos",49836,40120,46275,46129,38748,55409,27308,45026,44280,41730,45368,42132]
[7.51,784.57659999999998,"S10096","PC(36:3)","Phosphatidylcholine","Lipid LC Pos",40858,37256,55151,37100,34878,46476,43410,41020,86288,39852,66650,46953]
[7.59,369.34379999999999,"C00187","Cholesterol","Sterol metabolism","Lipid LC Pos",820,815,754,760,710,818,660,714,844,670,894,790]
[7.6177419354838705,810.59083870967743,"S10202","PC(38:4)","Other Group","Lipid LC Pos",2101,1921,3084,1860,1636,3000,2094,2308,4886,2260,3507,2485]
[7.75,792.54660000000001,"M00420","PE(40:6)","Phosphatidylethanolamine","Lipid LC Pos",62170,57978,53308,51690,50481,48067,36675,43042,43326,55514,53146,49488]
[7.96,582.50059999999996,"S10063","DG(32:2)","Diacylglycerol ","Lipid LC Pos",127,84,147,122,106,104,961,252,158,150,191,178]
[8.11,768.54660000000001,"M00419","PE(38:4)","Phosphatidylethanolamine","Lipid LC Pos",301576,184821,155411,165346,180002,156732,149220,168242,173760,165851,195458,169505]
[8.1300000000000008,608.51678421052634,"S10066","DG(34:3)","Diacylglycerol ","Lipid LC Pos",190,210,248,344,280,256,1512,459,306,306,384,336]
[8.17,692.52239999999995,"M00412","PE(32:0)","Phosphatidylethanolamine","Lipid LC Pos",123,57,68,49,60,80,70,41,90,58,52,76]
[8.19,812.5992,"S10104","PC(38:3)","Phosphatidylcholine","Lipid LC Pos",127228,116282,108420,110686,112698,100368,92385,108576,133227,101777,146046,127190]
[8.26,634.53210000000001,"S10070","DG(36:4)","Diacylglycerol ","Lipid LC Pos",2330,1375,1734,2206,1824,2081,5192,2728,2225,2209,3124,2476]
[8.2799999999999994,836.60709999999995,"S10152","PC(40:5)","Other Group","Lipid LC Pos",14018,17168,15337,12843,12020,14928,12435,13526,18328,13428,18462,14582]
[8.6199999999999992,786.59320000000002,"S10094","PC(36:2)","Phosphatidylcholine","Lipid LC Pos",262004,267714,337140,246563,232664,330948,204998,238113,347534,225756,320406,258378]
[8.75,838.61410000000001,"S10207","PC(40:4)","Other Group","Lipid LC Pos",313,250,186,173,242,210,186,226,255,216,238,296]
[8.9600000000000009,584.51020000000005,"S10062","DG(32:1)","Diacylglycerol ","Lipid LC Pos",0,42,108,138,95,72,1264,243,142,148,155,158]
[9.08,704.55229999999995,"M00421","PE(C16/18:1)","Phosphatidylethanolamine","Lipid LC Pos",0,67,48,51,44,62,92,56,62,64,57,34]
[9.1199999999999992,720.56690000000003,"S10134","PE(34:0)","Phosphatidylethanolamine","Lipid LC Pos",132,49,72,63,69,68,75,48,108,80,76,59]
[9.14,838.62379999999996,"S10114","PC(40:4)","Phosphatidylcholine","Lipid LC Pos",1920,1880,1600,1682,1735,1740,2350,1921,2352,1948,2220,2126]
[9.15,610.53229999999996,"S10065","DG(34:2)","Diacylglycerol ","Lipid LC Pos",7094,5542,6648,8312,6180,8808,18859,8918,9030,7492,9664,9238]
[9.2200000000000006,636.548,"S10069","DG(36:3)","Diacylglycerol ","Lipid LC Pos",3974,2657,4244,4774,3708,4524,19061,6978,6340,4802,6750,5614]
[9.41,662.56399999999996,"S10074","DG(38:4)","Diacylglycerol ","Lipid LC Pos",140,84,134,166,110,166,395,226,266,198,269,212]
[9.9600000000000009,662.56370000000004,"S10075","DG(38:4)","Diacylglycerol ","Lipid LC Pos",16003,7568,7020,7433,5202,7457,9228,6456,8982,5995,8343,6456]
[10.039999999999999,586.52819999999997,"M00324","DG(32:0)","Diacylglycerol ","Lipid LC Pos",329,172,198,193,162,166,1151,290,204,243,240,204]
[10.130000000000001,612.54719999999998,"S10064","DG(34:1)","Diacylglycerol ","Lipid LC Pos",2422,1766,2177,2930,2237,2848,9640,3526,3652,2794,3506,3494]
[10.25,638.56410000000005,"M00379","DG(36:2)","Diacylglycerol ","Lipid LC Pos",3170,2436,3618,3306,2550,3774,13538,4678,4814,3120,4418,3592]
[10.41,664.57946491228074,"S10073","DG(38:3)","Diacylglycerol ","Lipid LC Pos",395,312,466,407,294,380,1555,592,602,506,728,520]
[10.42,748.58,"M00414","PE(36:0)","Phosphatidylethanolamine","Lipid LC Pos",0,84,74,77,74,72,92,72,112,79,80,84]
[11.18,640.57799999999997,"S10067","DG(36:1)","Diacylglycerol ","Lipid LC Pos",629,360,552,480,389,419,2478,640,658,432,670,550]
[11.21,666.60019999999997,"S10071","DG(38:2)","Diacylglycerol ","Lipid LC Pos",0,33,124,73,57,75,754,156,124,86,142,110]
[13.83,868.73080000000004,"S10023","TG(52:6)","Triacylglycerol","Lipid LC Pos",622,408,792,588,598,296,9856,708,158,474,217,158]
[13.91,944.76289999999995,"S10051","TG(58:10)","Triacylglycerol","Lipid LC Pos",9215,6325,9174,8899,8824,5150,19850,6325,3936,7926,4760,3430]
[13.93,894.74580000000003,"S10035","TG(54:7)","Triacylglycerol","Lipid LC Pos",2368,2055,3384,2638,2368,1532,37536,2772,823,2244,911,744]
[14.14,842.71479999999997,"S10164","TG(50:5)","Other Group","Lipid LC Pos",250,113,252,226,219,122,0,188,66,196,82,94]
[14.37,894.7473,"S10036","TG(54:7)","Triacylglycerol","Lipid LC Pos",10131,11569,0,0,13823,7608,5043,8042,3064,11096,3974,4982]
[14.45,844.73109999999997,"S10009","TG(50:4)","Triacylglycerol","Lipid LC Pos",2164,1444,5101,2175,2287,1269,106625,4562,828,2220,807,762]
[14.5,868.73,"S10168","TG(52:6)","Other Group","Lipid LC Pos",161,120,274,198,176,100,2887,222,62,169,64,75]
[14.53,818.71219565217393,"S10004","TG(48:3)","Triacylglycerol","Lipid LC Pos",376,186,1424,626,665,265,50633,2488,124,623,202,182]
[14.6,896.76250000000005,"S10033","TG(54:6)","Triacylglycerol","Lipid LC Pos",13192,10458,34343,13760,13415,9912,295097,23984,6434,12772,5945,4030]
[14.63,920.76250000000005,"S10050","TG(56:8)","Triacylglycerol","Lipid LC Pos",57646,49224,60312,70950,68958,51820,59838,54956,21584,72339,24039,27080]
[14.65,946.77869999999996,"S10061","TG(58:9)","Triacylglycerol","Lipid LC Pos",12978,8152,12924,12954,13172,8609,34674,10338,7078,12095,6900,5345]
[14.85,858.74630000000002,"S10016","TG(51:4)","Triacylglycerol","Lipid LC Pos",987,902,1954,1010,1001,900,19436,1694,566,1264,503,444]
[14.98,922.77809999999999,"S10048","TG(56:7)","Triacylglycerol","Lipid LC Pos",17116,14197,20514,20558,20306,15990,72112,17790,8558,20930,7688,7376]
[14.99,948.79319999999996,"S10059","TG(58:8)","Triacylglycerol","Lipid LC Pos",3472,2384,4242,3296,3474,2596,29342,3502,2035,3737,1772,1371]
[15.01,896.76239999999996,"S10034","TG(54:6)","Triacylglycerol","Lipid LC Pos",28211,24770,32168,37744,35784,22266,57394,29520,11251,35661,11198,13927]
[15.3,872.76319999999998,"M00399","TG(52:4)","Triacylglycerol","Lipid LC Pos",120716,116164,188334,145482,140091,123696,514450,171154,62052,149718,50780,50810]
[15.32,898.77850000000001,"M00401","TG(54:5)","Triacylglycerol","Lipid LC Pos",27880,20666,90782,29834,31068,24182,474484,76216,19768,30726,13995,9804]
[15.38,922.77809999999999,"S10049","TG(56:7)","Triacylglycerol","Lipid LC Pos",22854,18360,21790,28759,29043,20406,29146,23438,10612,28479,9868,11924]
[15.53,860.76170000000002,"S10014","TG(51:3)","Triacylglycerol","Lipid LC Pos",1310,1062,3250,1564,1560,1434,54987,3400,923,1840,644,638]
[15.62,950.80769999999995,"S10057","TG(58:7)","Triacylglycerol","Lipid LC Pos",1549,3388,6058,4810,5144,3828,42103,5150,2646,5241,1005,1626]
[15.73,872.76199999999994,"S10021","TG(52:4)","Triacylglycerol","Lipid LC Pos",1264,822,1420,1395,1274,940,9371,1348,542,1123,597,512]
[15.74,898.77779999999996,"S10032","TG(54:5)","Triacylglycerol","Lipid LC Pos",11437,8192,11374,14214,13740,8604,46174,12684,5380,13314,4504,5694]
[15.76,924.79399999999998,"S10047","TG(56:6)","Triacylglycerol","Lipid LC Pos",14474,11472,16502,16572,16607,13580,75376,17331,8462,18454,6572,6977]
[16.02,874.77909999999997,"M00402","TG(52:3)","Triacylglycerol","Lipid LC Pos",120276,105834,215344,155155,152458,145799,579379,234294,79790,161342,52150,57084]
[16.05,900.7944,"S10029","TG(54:4)","Triacylglycerol","Lipid LC Pos",24740,18252,118332,28222,30028,24973,557222,98436,21742,30453,13404,10154]
[16.190000000000001,924.79449999999997,"S10180","TG(56:6)","Other Group","Lipid LC Pos",594,380,916,580,562,386,8524,645,244,522,282,286]
[16.21,950.81079999999997,"S10187","TG(58:7)","Other Group","Lipid LC Pos",1174,726,1518,1062,1117,713,10003,1066,621,1030,630,578]
[16.32,926.80939999999998,"S10046","TG(56:5)","Triacylglycerol","Lipid LC Pos",4082,2724,2023,3062,4317,1752,0,3356,2318,5216,2257,1924]
[16.399999999999999,862.77539999999999,"S10012","TG(51:2)","Triacylglycerol","Lipid LC Pos",1482,788,3352,1190,1269,1180,76542,3375,801,1414,590,610]
[16.649999999999999,850.77819999999997,"M00386","TG(50:1)","Triacylglycerol","Lipid LC Pos",6960,4400,28026,8810,9576,7256,315416,37452,3641,10100,3166,2849]
[16.72,876.79409999999996,"M00397","TG(52:2)","Triacylglycerol","Lipid LC Pos",30107,25653,106002,47670,44746,45656,577952,106988,24981,47679,14286,16233]
[16.77,824.76179999999999,"M00339","TG(48:0)","Triacylglycerol","Lipid LC Pos",2206,884,3699,978,1276,773,63578,5984,818,1630,823,600]
[16.79,928.8252,"S10044","TG(56:4)","Triacylglycerol","Lipid LC Pos",0,1571,13438,2266,2291,2024,92709,6502,1899,2440,1448,0]
[16.82,369.34280000000001,"M00216","CE(14:0)","Sterol metabolism","Lipid LC Pos",14229,10998,6328,12280,10290,10108,17856,4190,3774,4934,5312,4007]
[16.9878,952.83485799999994,"S10188","TG(58:6)","Other Group","Lipid LC Pos",491,154,230,344,352,170,2129,246,94,376,288,238]
[17.079999999999998,864.79039999999998,"S10010","TG(51:1)","Triacylglycerol","Lipid LC Pos",177,320,1302,338,502,354,35494,1318,310,470,0,0]
[17.11,890.80809999999997,"S10025","TG(53:2)","Triacylglycerol","Lipid LC Pos",670,446,2514,586,653,638,58740,1881,472,709,360,379]
[17.21,954.84140000000002,"S10055","TG(58:5)","Triacylglycerol","Lipid LC Pos",718,350,636,480,514,300,1984,526,402,446,438,376]
[17.23,928.82799999999997,"S10181","TG(56:4)","Other Group","Lipid LC Pos",486,256,436,422,350,288,2094,300,210,276,246,186]
[17.32,848.81240000000003,"M00384","TG(51:2)","Triacylglycerol","Lipid LC Pos",462,530,574,370,304,619,120,368,376,312,413,404]
[17.45,878.80939999999998,"S10017","TG(52:1)","Triacylglycerol","Lipid LC Pos",2832,1614,17296,2723,2694,2084,291984,10755,1493,2563,1498,1300]
[17.46,852.79179999999997,"M00385","TG(50:0)","Triacylglycerol","Lipid LC Pos",1183,605,2936,622,642,438,67248,2426,428,725,624,431]
[17.47,904.82479999999998,"S10027","TG(54:2)","Triacylglycerol","Lipid LC Pos",3228,2110,29098,3392,3234,2748,376454,13482,2277,3143,1973,1632]
[17.5,930.84090000000003,"S10043","TG(56:3)","Triacylglycerol","Lipid LC Pos",1154,725,9864,1107,1012,938,118540,3588,942,1144,778,608]
[17.66,369.3426,"C11251","CE(16:0)","Sterol metabolism","Lipid LC Pos",17240,13306,9298,18904,14815,14648,31826,5698,4475,6051,5878,4800]
[18.170000000000002,906.83979999999997,"M00387","TG(54:1)","Triacylglycerol","Lipid LC Pos",662,391,3716,534,442,342,83196,1410,386,434,460,344]
[18.2,958.87199999999996,"S10053","TG(58:3)","Triacylglycerol","Lipid LC Pos",145,132,2212,164,130,143,31584,510,158,244,159,122]
[18.41,864.81679999999994,"S10011","TG(51:1)","Triacylglycerol","Lipid LC Pos",0,50,80,76,56,49,158,46,74,54,64,34]
[18.52,369.34870000000001,"M00213","CE(18:0)","Sterol metabolism","Lipid LC Pos",862,756,564,907,793,712,7652,326,242,340,360,290]
[18.84,908.85270000000003,"M00338","TG(54:0)","Triacylglycerol","Lipid LC Pos",446,134,301,130,158,88,3016,186,141,155,176,124]
[19.22,934.88549999999998,"S10143","TG(56:1)","Other Group","Lipid LC Pos",234,73,58,68,39,62,124,45,52,39,58,52]
[7.56,179.05719999999999,"C00221","beta-D-Glucose","Sugar","Metabolite CE AN",4656,3842,7213,3676,3358,10248,3064,10010,21100,5922,7026,8135]
[7.56,341.10419999999999,"C01235","Galactinol","Sugar","Metabolite CE AN",76,62,66,52,52,93,71,272,417,93,72,75]
[7.6,220.10050000000001,"C00645","N-Acetyl-D-Mannosamine","Sugar","Metabolite CE AN",322,201,146,194,174,150,90,172,168,124,180,150]
[8.6999999999999993,662.10029999999995,"C00003","NAD+","Nicotinate and Ncotinamide metabolism","Metabolite CE AN",352,256,278,372,252,377,286,276,416,246,296,282]
[8.8699999999999992,448.30709999999999,"C05466","Glycochonodeoxycholate","Bile secretion","Metabolite CE AN",92,75,98,114,73,44,121,210,70,112,164,142]
[8.93,407.27859999999998,"M00146","Allocholic Acid","Lipid metabolism","Metabolite CE AN",0,26,14,72,15,27,32,31,16,24,40,22]
[9.0399999999999991,351.2167,"C00584","Prostaglandin E2","Prostaglandins","Metabolite CE AN",48,54,33,39,38,32,26,36,46,28,41,24]
[9.2286206896551732,308.09963448275863,"C00270","N-Acetylneuraminate","Urea Cycle","Metabolite CE AN",152,111,92,130,100,130,114,110,122,94,116,112]
[9.51,283.06959999999998,"C01762","Xanthosine","Purine metabolism","Metabolite CE AN",222,358,357,166,244,446,114,324,396,244,176,198]
[9.9504545454545461,157.03113409090909,"C02350","(S)(+)-Allantoin","Purine metabolism","Metabolite CE AN",76,52,40,78,38,77,47,69,106,66,64,98]
[10.050000000000001,664.1155,"C00004","NADH","Nucleotide metabolism","Metabolite CE AN",0,17,14,14,14,26,8,15,18,13,0,12]
[10.07,195.05189999999999,"C00257","D-Gluconic acid","Pentose phosphate pathway","Metabolite CE AN",1345,1498,1086,1622,1398,2182,1183,2306,3092,1932,2076,2252]
[10.14,784.14700000000005,"C00016","FAD","Cofactors and Vitamins","Metabolite CE AN",65,66,62,77,60,72,59,64,80,60,78,62]
[10.32,558.06439999999998,"C00301","ADP-ribose","Purine metabolism","Metabolite CE AN",0,28,30,18,22,38,45,34,156,24,18,18]
[10.37,140.01300000000001,"C00346","Phosphoethanolamine","SphingoLipids","Metabolite CE AN",530,508,414,460,370,442,824,414,478,373,500,396]
[10.49,165.0395,"C05607","Phenyllactate","Phenylalanine Tyrosine metabolism","Metabolite CE AN",106,126,124,154,142,140,189,111,115,112,124,128]
[10.58,455.09629999999999,"C00061","FMN","Cofactors and Vitamins","Metabolite CE AN",0,25,24,28,21,22,16,18,29,17,36,23]
[10.67,151.02719999999999,"C07599","Oxypurinol","Lipid metabolism","Metabolite CE AN",1766,2094,1755,1209,1540,1466,916,1470,1353,1204,1378,1166]
[11.03,167.0187,"C00366","Urate","Purine metabolism","Metabolite CE AN",272,330,338,444,270,298,360,284,449,308,336,238]
[11.075593220338982,300.04985762711863,"C00357","N-acetylglucosamine 6-phosphate","Sugar metabolism","Metabolite CE AN",187,210,186,172,262,180,182,413,212,267,272,251]
[11.12,742.06769999999995,"C00006","NADP+","Nicotinate and Ncotinamide metabolism","Metabolite CE AN",436,276,348,481,320,433,270,310,367,264,397,328]
[11.19,103.0395,"C01089","(R)-3-Hydroxybutanoate","Butanoate metabolism","Metabolite CE AN",760,414,510,581,540,452,350,297,442,289,560,465]
[11.24,322.04329999999999,"C00055","CMP","Pyrimidine metabolism","Metabolite CE AN",104,66,42,87,70,78,66,76,80,74,86,86]
[11.24,606.07259999999997,"C00043","UDP-N-acetylglucosamine","Sugar metabolism","Metabolite CE AN",162,92,88,200,102,312,216,237,698,258,452,338]
[11.28,289.03210000000001,"C05382","D-Sedoheptulose 7-phosphate","Pentose phosphate pathway","Metabolite CE AN",149,260,171,178,192,248,196,373,561,352,868,642]
[11.44,565.04629999999997,"C00029","UDP-glucose","Pyrimidine metabolism","Metabolite CE AN",126,94,76,180,78,142,144,82,76,108,262,128]
[11.67,259.0213,"C00085","D-Fructose 6-phosphate","Pentose phosphate pathway","Metabolite CE AN",292,286,249,177,228,288,206,319,444,338,270,285]
[11.79,403.55509999999998,"C00024","Acetyl-CoA","Citrate cycle (TCA cycle)","Metabolite CE AN",0,42,68,19,22,74,47,41,84,40,14,14]
[12.08,89.025599999999997,"C00186","L-Lactic acid","Glycolysis","Metabolite CE AN",144,130,184,109,117,206,126,202,300,198,130,165]
[12.11,362.0478,"C00144","GMP","Purine metabolism","Metabolite CE AN",371,109,144,662,216,498,354,218,552,316,475,377]
[12.16,229.01004736842106,"C00117","D-Ribose 5-phosphate","Pentose phosphate pathway","Metabolite CE AN",728,818,731,881,672,896,671,1010,1221,891,1274,1024]
[12.25,426.02050000000003,"C00008","ADP","Purine metabolism","Metabolite CE AN",310,246,252,408,252,379,336,221,418,367,322,258]
[12.6,382.5514,"C00010","Coenzyme A","Cofactors and Vitamins","Metabolite CE AN",170,114,158,121,86,186,112,183,332,160,228,180]
[12.74,505.988,"C00002","ATP","Purine metabolism","Metabolite CE AN",60,40,44,36,40,53,68,49,68,72,57,56]
[12.84,347.03750000000002,"C00130","IMP","Purine metabolism","Metabolite CE AN",118,52,181,329,142,360,204,150,390,2412,202,224]
[13.02,442.01609999999999,"C00035","GDP","Purine metabolism","Metabolite CE AN",63,104,92,97,84,100,84,86,127,86,104,88]
[13.07,171.00739999999999,"C00093","Glycerol-3-phosphate","Glycolysis","Metabolite CE AN",3178,3140,2858,2770,2908,3177,2392,3700,3500,3372,3492,3363]
[13.94,426.01949999999999,"C00054","Adenosine 3',5'-bisphosphate","Purine metabolism","Metabolite CE AN",203,226,172,166,203,148,107,206,174,185,382,277]
[13.99,462.06689999999998,"C03794","N6-(1,2-Dicarboxyethyl)-AMP","Purine metabolism","Metabolite CE AN",0,16,38,93,38,131,89,58,226,35,124,108]
[14.21,174.0376,"C01042","N-Acetyl-L-aspartate","Amino acid metabolism","Metabolite CE AN",0,24,24,38,26,29,40,50,48,33,52,39]
[17.82,166.98859999999999,"C00074","Phosphoenolpyruvate","Glycolysis","Metabolite CE AN",0,34,30,23,64,38,18,57,44,48,44,44]
[4.5,203.21719999999999,"C00750","Spermine","Polyamine","Metabolite CE CA",7272,640,701,1314,749,890,542,833,592,734,1312,1487]
[4.59,146.166,"C00315","Spermidine","Polyamine","Metabolite CE CA",3838,778,1070,1257,900,1074,750,1148,1195,978,1357,1520]
[4.87,112.0874,"C00388","Histamine","Histidine metabolism","Metabolite CE CA",644,648,1070,467,632,708,2362,2005,906,2080,934,409]
[6.02,169.09780000000001,"C00534","Pyridoxamine","Cofactors and Vitamins","Metabolite CE CA",452,291,200,320,226,234,196,308,182,171,248,194]
[6.54,265.11009999999999,"C00378","Thiamine","Cofactors and Vitamins","Metabolite CE CA",879,804,606,672,768,633,392,709,902,570,642,917]
[6.8,104.10496176470588,"C00114","Choline","Glycine, Serin metabolism","Metabolite CE CA",167722,69720,61062,62700,83176,44482,62682,76607,62942,53815,70975,62506]
[6.85,133.09639999999999,"C00077","L-Ornithine","Urea Cycle","Metabolite CE CA",1880,1406,1190,1192,1156,1258,1337,1062,2132,1226,1659,1305]
[6.93,241.14240000000001,"C01262","Anserine","β-Alanine metabolism","Metabolite CE CA",0,35,390,8,59,14,32,14,0,2366,14,14]
[6.96,147.10340816326533,"C00047","L-Lysine","Amino acid","Metabolite CE CA",4582,3834,4044,3637,2624,3907,4318,3074,4528,3082,4923,3377]
[7.11,400.14609999999999,"C00019","S-Adenosyl-L-Methionine","Urea Cycle","Metabolite CE CA",0,26,37,28,30,45,36,38,75,40,52,35]
[7.12,112.04640000000001,"C00380","Cytosine","Pyrimidine metabolism","Metabolite CE CA",144,68,56,58,76,56,39,66,66,54,59,60]
[7.17,114.0681,"C00791","Creatinine","Arginin, Proline metabolism","Metabolite CE CA",3672,2398,2726,2679,2194,2746,2174,2924,3098,5674,2468,2629]
[7.18,156.0778,"C00135","L-Histidine","Amino acid","Metabolite CE CA",7085,5802,5438,5910,4807,5616,4022,5278,8611,4575,8054,6058]
[7.19,175.1097,"C00062","L-Arginine","Amino acid","Metabolite CE CA",532,262,272,358,342,319,242,385,432,330,494,460]
[7.25,90.058000000000007,"C00099","beta-Alanine","β-Alanine metabolism","Metabolite CE CA",693,392,334,412,440,340,204,303,382,272,265,334]
[7.38,123.0697,"C00153","Nicotinamide","Nicotinate and Ncotinamide metabolism","Metabolite CE CA",21016,18104,12596,11404,13617,12346,12045,15066,18889,14834,17414,15390]
[7.42,189.12629999999999,"C01924","Homoarginine","Arginin, Proline metabolism","Metabolite CE CA",64,40,30,20,40,30,26,32,32,28,57,53]
[7.56,170.09630000000001,"C01152","1-Methylhistidine","Histidine metabolism","Metabolite CE CA",388,382,338,442,319,602,262,414,514,440,392,438]
[7.56,203.1414,"C03626","N-N-dimethylarginine","Arginin, Proline metabolism","Metabolite CE CA",164,259,214,218,221,262,276,215,380,255,430,418]
[7.63,106.0879,"C06772","Diethanolamine","Glycerophospholipid metabolism","Metabolite CE CA",1436,438,266,342,450,320,272,434,375,380,407,358]
[7.73,104.08745542168674,"C00334","4-Aminobutanoic acid","Urea Cycle","Metabolite CE CA",464,293,274,544,454,553,284,538,1360,510,556,622]
[7.79,141.0822,"C05828","Methylimidazoleacetic acid","Histidine metabolism","Metabolite CE CA",624,478,266,565,789,321,788,938,1342,834,1914,1438]
[7.97,146.10659999999999,"C01035","4-Guanidinobutanoate","Urea Cycle","Metabolite CE CA",4444,2242,2286,2374,2182,2909,1869,2720,4538,2181,2752,3260]
[8.08,139.05690000000001,"C00785","Urocanic acid","Histidine metabolism","Metabolite CE CA",60,55,54,34,38,55,38,80,0,36,39,0]
[8.1815384615384623,76.050123076923072,"C00037","Glycine","Amino acid","Metabolite CE CA",96,98,104,138,84,109,64,84,132,97,147,100]
[8.2100000000000009,162.1138,"C00318","L-Carnitine","Lysine metabolism","Metabolite CE CA",119294,68674,73690,69348,75076,73987,67826,95654,111066,82554,84998,92204]
[8.41,168.06639999999999,"C00250","Pyridoxal","Cofactors and Vitamins","Metabolite CE CA",780,480,265,298,403,272,214,347,390,180,402,320]
[8.48,385.12759999999997,"C00021","S-Adenosyl-L-homocysteine","Cystein metabolism","Metabolite CE CA",432,335,332,372,348,382,302,425,570,264,429,382]
[8.49,132.07730000000001,"C00300","Creatine","Urea Cycle","Metabolite CE CA",25403,17210,21413,14881,18008,16082,16567,19871,20002,58318,17709,15880]
[8.73,90.057400000000001,"C00041","L-Alanine","Amino acid","Metabolite CE CA",897,842,1208,1034,876,1269,630,1166,1606,1475,1104,1090]
[8.77,204.12360000000001,"C04083","6-gamma-gamma-dimethylallyl-amino-purine","Plant metabolites","Metabolite CE CA",9689,12038,8516,5796,8682,8430,6870,9552,10656,14186,8578,9442]
[8.7799999999999994,161.09,"C00993","D-Alanyl-D-alanine","Dipeptide","Metabolite CE CA",106,38,46,42,93,62,23,87,98,60,46,55]
[9.15,90.059700000000007,"C00213","Sarcosine","Urea Cycle","Metabolite CE CA",72,22,14,22,22,22,18,19,110,20,38,35]
[9.26,244.09119999999999,"C00475","Cytidine","Pyrimidine metabolism","Metabolite CE CA",961,956,768,582,708,519,416,694,525,478,510,470]
[9.3307692307692314,242.13329615384615,"C00272","5,6,7.8-Tetrahydrobiopterin","Cofactors and Vitamins","Metabolite CE CA",0,32,26,20,23,36,30,44,44,34,48,66]
[9.43,268.1037,"C00212","Adenosine","Purine metabolism","Metabolite CE CA",1590,2651,1760,4330,3233,2798,1852,1660,2400,952,3460,1558]
[9.44,209.1,"C00328","L-Kynurenine","Tryptophan metabolism","Metabolite CE CA",184,100,96,62,106,82,58,182,92,94,63,80]
[9.4700000000000006,189.12110000000001,"C12989","N2-Acetyl-L-lysine","Lysine metabolism","Metabolite CE CA",320,194,226,236,218,266,174,298,448,240,350,304]
[9.5115625000000001,282.12106875000001,"C02494","1-Methyladenosine","Nucleotide metabolism","Metabolite CE CA",78,54,47,56,62,55,48,46,48,46,55,48]
[9.5399999999999991,118.08669999999999,"C00183","L-Valine","Amino acid","Metabolite CE CA",2284,2332,2174,2398,1673,2498,1658,1706,2456,1686,2830,2260]
[9.61,106.0517,"C00065","L-Serine","Amino acid","Metabolite CE CA",746,574,549,525,536,470,528,580,1076,702,973,728]
[9.6300000000000008,176.0729,"C03139","Guanidinosuccinic acid","Arginin, Proline metabolism","Metabolite CE CA",72,104,107,106,96,184,78,110,182,102,118,139]
[9.7100000000000009,217.11911219512194,"M00001","N-alpha-Acetyl-L-arginine","Arginin, Proline metabolism","Metabolite CE CA",154,56,42,55,58,54,62,83,150,82,82,80]
[9.9,120.06570000000001,"C00188","L-Threonine","Amino acid","Metabolite CE CA",954,796,778,915,590,674,614,628,1075,695,1068,757]
[9.91,138.05629999999999,"C01004","Trigonelline","Cofactors and Vitamins","Metabolite CE CA",1440,665,510,1096,629,818,950,1121,7358,794,1324,4643]
[9.9700000000000006,132.10220000000001,"C00123","L-Leucine","Amino acid","Metabolite CE CA",7623,7154,6830,7448,5106,7704,5258,5484,8117,5344,8464,7163]
[9.9700000000000006,133.0760498922414,"C00152","L-Asparagine","Amino acid","Metabolite CE CA",758,710,668,708,568,785,558,660,868,580,902,793]
[10.15,247.1395,"C04137","D-Octopine","Arginin, Proline metabolism","Metabolite CE CA",0,12,38,42,46,62,32,66,84,46,60,56]
[10.19,277.14150000000001,"C00449","N6-(L-1,3-Dicarboxypropyl)-L-lysine","Lysine metabolism","Metabolite CE CA",112,84,102,80,81,76,58,103,254,100,195,82]
[10.199999999999999,150.05609999999999,"C00073","L-Methionine","Amino acid","Metabolite CE CA",888,759,675,724,642,740,566,759,976,648,943,856]
[10.210000000000001,116.0707,"C00148","L-Proline","Amino acid","Metabolite CE CA",6219,4578,4642,4864,4044,5380,3438,3899,6296,3960,5093,4585]
[10.24,147.0762,"C00064","L-Glutamine","Amino acid","Metabolite CE CA",28272,22879,22713,16470,16020,19854,14342,20358,12431,21268,20717,17006]
[10.24,148.06479999999999,"C00025","L-Glutamate","Amino acid","Metabolite CE CA",10626,9528,8508,8076,8170,9288,5871,10343,10898,9148,8895,9030]
[10.28,104.07769999999999,"C01026","N,N-Dimethylglycine","Glycine, Serin metabolism","Metabolite CE CA",1565,970,1150,1337,908,754,666,952,2682,751,1224,1490]
[10.29,205.09460000000001,"C00078","L-Tryptophan","Amino acid","Metabolite CE CA",828,388,515,484,298,527,405,412,456,366,482,386]
[10.36,166.0873,"C00079","L-Phenylalanine","Amino acid","Metabolite CE CA",2502,2026,2048,1875,1598,2091,1524,1908,2383,1772,2566,2234]
[10.37,176.1216,"C00327","L-Citrulline","Urea Cycle","Metabolite CE CA",6249,2449,1710,1956,2440,1744,1694,2377,2208,1908,2456,2062]
[10.39,137.04589999999999,"C00262","Hypoxanthine","Purine metabolism","Metabolite CE CA",16624,10237,7599,6179,8704,5688,5631,9068,6530,6936,8866,7436]
[10.47,118.08750000000001,"C00719","Betaine","Glycine, Serin metabolism","Metabolite CE CA",290036,144768,107258,101401,126376,94944,84698,130042,158848,82085,155144,129506]
[10.48,182.08449999999999,"C00082","L-Tyrosine","Amino acid","Metabolite CE CA",2716,1499,1230,1343,1142,1386,1148,1454,1418,1183,1612,1374]
[10.55,122.0266,"C00097","L-Cysteine","Amino acid","Metabolite CE CA",72,14,64,52,32,68,57,62,98,54,67,54]
[10.65,189.11680000000001,"C02727","N6-Acetyl-L-lysine","Lysine metabolism","Metabolite CE CA",0,18,14,14,20,22,21,31,22,24,29,22]
[10.73,134.04509999999999,"C00049","L-Aspartate","Amino acid","Metabolite CE CA",1919,1332,1212,1323,1428,1406,1411,1702,1882,1576,1930,1704]
[10.91,166.0625,"C02989","L-Methionine S-oxide","Cystein metabolism","Metabolite CE CA",0,72,24,51,68,46,30,54,93,55,62,79]
[11.12,613.15719999999999,"C00127","Oxidized glutathione","Glutathione metabolism","Metabolite CE CA",5070,6714,6304,7775,5783,7999,6456,5746,7666,4264,7056,6957]
[11.15,132.06970000000001,"C01015","L-Hydroxyproline","Arginin, Proline metabolism","Metabolite CE CA",376,352,306,408,316,365,353,365,658,458,384,384]
[11.71,290.13170000000002,"M00035","Ophthalmic Acid","Glutathione metabolism","Metabolite CE CA",152,117,213,252,115,180,156,164,192,226,159,163]
[11.72,308.09109999999998,"C00051","Glutathione","Glutathione metabolism","Metabolite CE CA",16888,7423,15752,10412,6828,22348,8834,26360,52490,22068,29878,23878]
[12.01,380.11169999999998,"C03451","(R)-S-Lactoylglutathione","Pyruvate metabolism","Metabolite CE CA",73,96,55,77,72,74,44,88,146,68,104,114]
[13.76,231.10149999999999,"C05570","Ergothioneine","Histidine metabolism","Metabolite CE CA",460,228,382,403,315,559,140,258,600,263,553,437]
[14.11,110.0305,"C00519","Hypotaurine","Taurine and hypotaurine metabolism ","Metabolite CE CA",112,139,80,128,108,120,126,172,635,132,243,142]
[15.04,186.0847,"C01161","3,4-Dihydroxyphenylacetate","Phenylalanine Tyrosine metabolism","Metabolite CE CA",390,526,514,432,314,319,312,475,732,204,474,605]
[15.05,489.10169999999999,"C00307","Cytidine 5'-diphosphocholine","Glycerophospholipid metabolism","Metabolite CE CA",408,259,248,350,224,372,378,321,633,313,464,462]
[15.12,61.039299999999997,"C00086","Urea","Urea Cycle","Metabolite CE CA",547,40,36,38,25,44,36,56,82,35,50,52]
[15.25,200.10560000000001,"C05582","Homovanillate","Phenylalanine Tyrosine metabolism","Metabolite CE CA",330,258,412,230,226,480,204,530,886,360,398,454]
[15.31,245.08809491525423,"C00299","Uridine","Pyrimidine metabolism","Metabolite CE CA",1866,1064,903,741,814,714,766,1526,1149,840,1278,1094]
[15.310175438596492,133.07662894736842,"C00903","Cinnamic aldehyde","Phenylpropanoid","Metabolite CE CA",518,416,300,395,374,487,321,590,702,366,485,540]
[15.325135135135135,220.12899459459459,"C00864","(R)-Pantothenate","Cofactors and Vitamins","Metabolite CE CA",1161,905,820,836,891,736,1158,804,776,860,644,714]
[15.34,169.04499999999999,"C00544","Homogentisate","Phenylalanine Tyrosine metabolism","Metabolite CE CA",382,410,412,545,357,324,482,368,381,316,422,278]
[15.38,113.0369,"C00106","Uracil","Pyrimidine metabolism","Metabolite CE CA",1427,846,834,630,772,692,698,1482,1199,862,1293,1108]
[15.5,148.06809999999999,"C00979","O-Acetyl-L-serine","Glycine, Serin metabolism","Metabolite CE CA",64,34,30,53,38,43,36,74,79,45,60,53]
[0.65,665.20180000000005,"C02013","Cellotetraose","Sugar","Metabolite LC Neg",65,16,18,11,13,19,58,28,386,48,13,21]
[0.66,503.14359999999999,"C01835","Maltotriose","Sugar","Metabolite LC Neg",68,32,27,28,25,42,67,140,440,67,38,57]
[0.67,341.0933,"C00243","Lactose","Sugar","Metabolite LC Neg",163,76,80,34,66,78,93,352,443,121,80,78]
[0.68,119.0351,"C02045","L-Erythrulose","Sugar","Metabolite LC Neg",9482,2679,2727,2094,2578,3231,1259,4439,6261,2822,3265,3361]
[0.69,149.04519999999999,"C00121","D-Ribose","Sugar","Metabolite LC Neg",1008,282,346,201,298,430,218,608,1162,267,439,646]
[0.69,173.09280000000001,"C00437","N-Acetylornithine","Arginin, Proline metabolism","Metabolite LC Neg",286,82,68,92,107,73,61,98,139,96,142,108]
[0.69,256.09500000000003,"M00260","5-Methylcytidine","Unclassified","Metabolite LC Neg",151,37,38,44,41,42,38,32,26,54,38,36]
[0.69,402.99759999999998,"C00015","UDP (Uridine 5'-diphosphate)","Pyrimidine metabolism","Metabolite LC Neg",26279,4460,2120,1758,5905,1276,2500,4307,892,3188,1160,1558]
[0.72,102.056,"C01205","β-Aminoisobutyric acid","Unclassified","Metabolite LC Neg",2314,750,456,592,714,534,296,740,754,562,731,650]
[0.72,179.05549999999999,"C00962","β-D-Galactose","Sugar","Metabolite LC Neg",23222,8049,9478,6158,7470,11390,4878,15801,27229,9945,11906,13142]
[0.72,181.0677,"C00794","D-Sorbitol","Sugar","Metabolite LC Neg",1324,374,362,238,344,463,165,502,696,302,273,377]
[0.72535476046088543,209.01664962603598,"C00818","D-Glucarate","Ascorbate and Aldarate metabolism","Metabolite LC Neg",8430,2030,1081,1487,2330,888,1688,1538,886,1278,1574,1184]
[0.73,87.022300000000001,"C00022","Pyruvate","Glycolysis","Metabolite LC Neg",3237,950,836,721,763,828,1670,1191,1438,847,942,965]
[0.73,247.04759999999999,"C00647","Pyridoxamine-phosphate","Cofactors and Vitamins","Metabolite LC Neg",954,448,322,207,496,221,138,316,325,234,269,240]
[0.74,89.025300000000001,"C00577","D-Glyceraldehyde","Sugar metabolism","Metabolite LC Neg",12482,4484,5962,3545,4143,7850,2932,10396,19106,6192,7078,7940]
[0.74,171.0076,"C02979","Glycerol 2-phosphate","Unclassified","Metabolite LC Neg",81546,17286,10154,10988,17406,10365,7686,19856,14405,13723,17654,14086]
[0.74,173.00161,"C03248","Acetylenedicarboxylate","Pyruvate metabolism","Metabolite LC Neg",6170,2650,1493,2224,3078,1422,2818,2552,1482,2042,2368,2020]
[0.74,183.98840000000001,"C01005","3-Phosphoserine","Glycine, Serin metabolism","Metabolite LC Neg",393,160,144,148,173,152,160,208,201,219,177,156]
[0.74,193.02090000000001,"C00333","D-Galacturonate","Sugar","Metabolite LC Neg",1522,422,258,348,421,293,356,624,618,392,605,482]
[0.74,275.01510000000002,"C00345","6-Phospho-D-gluconate","Pentose phosphate pathway","Metabolite LC Neg",1815,223,172,103,345,140,211,256,109,208,170,106]
[0.75,101.0249,"C00109","2-Oxobutanoate","Glycine, Serin metabolism","Metabolite LC Neg",5595,1902,1716,1698,1578,2226,1153,2704,4190,1733,2236,2210]
[0.75,116.0716,"C15987","4-Methylaminobutyrate","Nicotinate and Ncotinamide metabolism","Metabolite LC Neg",1108,497,346,448,368,395,277,390,440,316,689,450]
[0.75,124.0078,"C03557","Ciliatine","Phosphonate and phosphinate metabolism","Metabolite LC Neg",15766,5090,4778,4166,4542,4440,6439,5332,7075,9864,5800,4326]
[0.75,131.0369,"M00236","Gly-Gly","Dipeptide","Metabolite LC Neg",1616,531,711,795,611,818,580,1041,1994,720,1170,1133]
[0.75,132.03030000000001,"M00296","Iminodiacetate (IDA)","Amino acid metabolism","Metabolite LC Neg",10552,2646,1676,2136,2938,1782,1696,3172,2866,2569,3720,2872]
[0.77,169.00630000000001,"C00111","Glycerone phosphate","Glycolysis","Metabolite LC Neg",779,164,121,141,129,92,55,170,186,110,156,144]
[0.77,323.0249,"C00105","UMP","Pyrimidine metabolism","Metabolite LC Neg",8192,508,396,2374,742,1810,1280,962,2922,1178,2288,1199]
[0.78,96.969700000000003,"C00009","Phosphate","Phosphonate and phosphinate metabolism","Metabolite LC Neg",120148,26118,16379,18954,24804,15765,13234,24454,21540,20267,25564,20234]
[0.79,134.02000000000001,"C00155","L-Homocysteine","Cystein metabolism","Metabolite LC Neg",5514,2064,1754,1802,2142,1794,1028,2580,2302,1950,1876,1678]
[0.79,322.05239999999998,"M00023","5'-CMP","Pyrimidine metabolism","Metabolite LC Neg",1423,152,82,130,166,125,116,184,138,120,160,142]
[0.8,105.02719999999999,"C00258","D-Glycerate","Glycine, Serin metabolism","Metabolite LC Neg",730,176,124,126,201,133,98,274,182,154,164,137]
[0.81,155.0034,"C00295","Orotate","Pyrimidine metabolism","Metabolite LC Neg",689,131,88,174,150,93,78,164,205,107,126,128]
[0.81,176.9331,"C00013","Pyrophosphate","Phosphonate and phosphinate metabolism","Metabolite LC Neg",8106,1218,532,670,1053,404,456,888,532,614,938,579]
[0.83,175.02510000000001,"C02670","D-Glucuronolactone","Ascorbate and Aldarate metabolism","Metabolite LC Neg",234102,67063,53066,38490,39936,42375,163350,68410,58620,50224,53984,57758]
[0.83,177.0343,"C01040","L-Gulono-1,4-lactone","Ascorbate and Aldarate metabolism","Metabolite LC Neg",3366,1018,758,672,744,712,1899,1142,1216,831,998,1007]
[0.84,117.0192,"C02170","Methylmalonate","Pyrimidine metabolism","Metabolite LC Neg",13238,663,3658,1538,1310,915,2620,4126,4739,1400,1836,1732]
[0.84,118.0467,"M00056","4-Amino-3-Hydroxybutyric acid","Unclassified","Metabolite LC Neg",2856,1016,752,948,727,650,658,780,1481,677,1486,920]
[0.85,151.02590000000001,"C00385","Xanthine","Purine metabolism","Metabolite LC Neg",67674,47772,34970,24264,40592,25590,15727,30680,23127,23900,25778,23909]
[0.87,147.0333,"C02612","Citramalic acid","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",8920,2166,972,1622,2556,1034,1550,1995,1783,1562,2355,1878]
[0.89,138.03139999999999,"C01020","6-Hydroxynicotinate","Nicotinate and Ncotinamide metabolism","Metabolite LC Neg",212,165,114,224,166,89,40,112,152,76,86,170]
[0.93,130.0865,"C00407","L-Isoleucine","Amino acid","Metabolite LC Neg",18472,10002,7757,9186,7578,8642,6674,8132,10088,7314,11457,9788]
[0.94,124.9969,"C05123","Isethionate","Taurine and hypotaurine metabolism ","Metabolite LC Neg",3912,762,101,331,724,864,186,1782,600,929,916,1283]
[0.94,135.0307,"C01620","Threonate","Ascorbate and Aldarate metabolism","Metabolite LC Neg",27820,12487,8174,7780,12678,6316,6032,10263,7440,7973,11864,9642]
[1,115.0376,"C00141","3-methyl-2-oxobutyric acid","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",1029,240,126,184,220,132,154,250,222,195,246,236]
[1.0900000000000001,129.02109999999999,"C00490","Itaconate","C5-Branched dibasic acid","Metabolite LC Neg",656,0,0,87,113,0,112,64,0,69,56,37]
[1.1011111111111112,328.05875555555554,"C00575","3',5'-Cyclic AMP","Purine metabolism","Metabolite LC Neg",78,72,56,52,35,66,78,87,100,88,65,90]
[1.1299999999999999,117.0467,"M00013","beta-hydroxyisovaleric acid","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",6491,1260,1006,1107,1349,1341,1053,1608,1650,1300,1346,1354]
[1.1599999999999999,264.95080000000002,"M00171","2-3-Diphospho-D-glyceric acid","Glycolysis","Metabolite LC Neg",2249,503,217,338,1345,409,361,908,352,502,760,537]
[1.23,131.03257209302325,"M00010","Ethylmalonic acid","Unclassified","Metabolite LC Neg",2216,873,878,1161,1032,802,1124,1532,3310,1194,2194,2256]
[1.37,181.0532,"C03672","3-(4-Hydroxyphenyl)lactate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",105,82,146,90,112,157,72,173,274,131,122,172]
[1.39,145.05279999999999,"C06104","Adipic acid","Organic acid","Metabolite LC Neg",1303,748,972,1519,1076,818,1010,1257,1650,1024,1664,1750]
[1.51,176.03134399999999,"C03145","N-Formyl-L-methionine","Cystein metabolism","Metabolite LC Neg",68,58,44,28,34,30,0,55,64,46,59,38]
[1.55,151.02520000000001,"C01984","Mandelate","Organic acid","Metabolite LC Neg",412,436,160,190,240,187,156,246,199,302,234,262]
[1.6,111.0254,"M00222","3-Furoic acid","Unclassified","Metabolite LC Neg",70,18,20,12,16,24,26,42,20,46,48,20]
[1.74,158.0812,"M00304","N-Acetyl-DL-valine","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",230,225,187,294,212,181,216,200,314,136,332,251]
[1.88,158.0812,"M00221","Isovalerylglycine","Glycine, Serin metabolism","Metabolite LC Neg",355,288,277,238,290,214,352,406,468,252,553,457]
[1.93,188.05410000000001,"C01717","Kynurenic acid","Tryptophan metabolism","Metabolite LC Neg",132,32,48,30,41,28,26,90,41,33,32,36]
[1.98,165.0222,"C01606","Phthalic acid","Organic acid","Metabolite LC Neg",633,144,79,82,70,60,86,150,106,150,106,114]
[1.99,178.0498,"C01586","Hippuric acid","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",505,215,264,520,337,306,290,351,778,284,316,570]
[2.2000000000000002,129.04859999999999,"C00233","4-Methyl-2-oxopentanoate","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",124,43,33,50,43,54,60,78,48,42,57,44]
[2.2200000000000002,137.03200000000001,"C00156","4-Hydroxybenzoate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",88,16,24,38,35,21,18,40,57,40,26,66]
[2.37,145.05619999999999,"M00028","Monomethyl glutarate","Amino acid metabolism","Metabolite LC Neg",114,32,20,28,19,42,38,142,34,60,61,65]
[2.4500000000000002,131.0694,"C03264","2-Hydroxy-4-methylpentanoate","Organic acid","Metabolite LC Neg",770,187,195,247,272,188,216,254,228,254,294,266]
[2.84,151.03270000000001,"C05593","3-Hydroxyphenylacetate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",0,46,32,50,46,29,32,37,27,36,49,42]
[2.84,192.06435666666667,"C05598","Phenylacetylglycine","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",938,986,704,1026,734,900,850,836,1908,679,924,1492]
[3.21,165.0471,"M00034","L-3-Phenyllactic acid","Amino acid metabolism","Metabolite LC Neg",56,28,26,37,32,86,21,33,119,38,38,64]
[3.65,206.08080000000001,"C03519","N-Acetyl-L-phenylalanine","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",1518,854,496,618,866,1220,625,970,1172,838,957,1249]
[3.9,121.0299,"C00633","p-Hydroxybenzaldehyde","Benzoate degradation","Metabolite LC Neg",1012,158,120,128,164,138,86,174,136,118,127,118]
[4.37,173.08029999999999,"C02693","Indole-3-acetamide","Tryptophan metabolism","Metabolite LC Neg",840,385,710,685,428,556,564,718,754,558,860,754]
[4.3849999999999998,193.04435000000001,"C01494","trans-4-Hydroxy-3-methoxycinnamate","Phenylpropanoid","Metabolite LC Neg",54,48,22,32,45,38,15,50,24,36,36,38]
[4.3899999999999997,204.05926129032258,"C02043","Indolelactic acid","Tryptophan metabolism","Metabolite LC Neg",0,32,9,16,22,31,14,16,20,55,34,16]
[4.67,213.11160000000001,"C01909","Dethiobiotin","Biotin metabolism","Metabolite LC Neg",1947,462,726,638,612,1266,46,830,532,672,948,879]
[5.0599999999999996,383.18490000000003,"M00073","Quinine","Unclassified","Metabolite LC Neg",0,44,40,44,36,27,18,30,46,36,48,32]
[5.21,165.04079999999999,"C01198","3-(2-Hydroxyphenyl)propionic acid","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",502,54,70,42,128,92,40,136,38,88,78,76]
[5.23,121.03119545454545,"C00180","Benzoate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",144,30,23,22,38,18,18,36,16,24,13,26]
[5.35,144.04499999999999,"C08493","Indole-3-carboxaldehyde","Tryptophan metabolism","Metabolite LC Neg",635,112,75,84,134,92,49,112,74,90,96,79]
[5.42,213.11170000000001,"C06536","Harmaline","Alkaloids","Metabolite LC Neg",186,60,43,56,72,80,12,60,26,54,78,72]
[5.55,174.05330000000001,"C00954","Indole acetate","Tryptophan metabolism","Metabolite LC Neg",0,14,14,22,13,12,20,25,29,14,18,23]
[5.93,159.10059999999999,"M00179","3-Hydroxyoctanoic acid","Lipid metabolism","Metabolite LC Neg",786,234,190,214,274,222,204,278,202,314,304,232]
[5.9512499999999999,287.15559999999999,"C05141","Estriol","Steroids","Metabolite LC Neg",421,232,76,78,148,88,76,97,90,88,117,105]
[6.15,115.07640000000001,"C01585","caproate(6:0)","Fatty Acid","Metabolite LC Neg",10908,1861,654,1133,1397,874,473,1591,722,682,1133,930]
[6.22,149.066,"C05629","3-Phenylpropionate (hydrocinnamate)","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",128,17,9,24,18,11,12,21,32,0,17,14]
[6.3,188.06909999999999,"M00252","Indolepropionate","Tryptophan metabolism","Metabolite LC Neg",182,108,90,82,150,138,144,216,312,172,184,192]
[6.46,359.1755,"C00762","Cortisone","Steroids","Metabolite LC Neg",266,22,44,34,64,34,56,41,38,58,36,46]
[6.73,498.286,"C16868","Tauroursodeoxycholic acid","Sterol metabolism","Metabolite LC Neg",2134,2328,2332,2094,2067,2052,1711,2239,8472,2452,4427,5482]
[6.96,514.28340000000003,"C05122","Taurocholate","Taurine and hypotaurine metabolism ","Metabolite LC Neg",132799,138430,129493,159822,79023,179231,46056,82576,116490,56899,107151,123062]
[7.09,464.30059999999997,"C01921","Glycocholate","Steroids","Metabolite LC Neg",70352,68786,47061,80212,30412,39079,37863,85004,11456,44718,44000,41284]
[7.22,129.08539999999999,"M00044","heptanoate(7:0)","Fatty Acid","Metabolite LC Neg",3796,240,182,282,314,208,158,330,218,207,275,298]
[7.22,407.27749999999997,"M00242","α-Muricholic acid","Steroids","Metabolite LC Neg",1249,1028,492,1075,642,404,1690,1650,924,1398,1958,771]
[7.35,229.14519999999999,"C02678","Dodecanedioate","Fatty acid metabolism","Metabolite LC Neg",1547,406,334,346,451,260,274,400,360,412,459,383]
[7.38,371.15449999999998,"C10545","Arctigenin","Phenylpropanoids","Metabolite LC Neg",70,78,40,76,58,39,50,92,152,69,104,104]
[7.47,467.29809999999998,"M00243","β-Muricholic acid","Steroids","Metabolite LC Neg",588,690,311,2848,698,974,1970,1714,626,1499,2328,1087]
[7.57,329.22269999999997,"C03747","11α-Hydroxy Progesterone","Steroids","Metabolite LC Neg",310,446,444,138,330,514,304,758,456,788,1032,900]
[7.6,187.12548431372548,"M00180","3-Hydroxydecanoic acid","Lipid metabolism","Metabolite LC Neg",956,200,174,163,226,156,256,212,170,364,252,214]
[7.7847297297297295,271.16262837837837,"C00951","Estradiol","Steroids","Metabolite LC Neg",203,48,34,26,66,28,18,56,20,34,39,24]
[7.85,498.2876,"C05463","Taurodeoxycholic acid","Steroids","Metabolite LC Neg",36039,53276,63430,62686,39241,62650,32540,55142,173200,38868,109984,125200]
[7.92,448.30489830508475,"C05464","Glycodeoxycholate","Sterol metabolism","Metabolite LC Neg",16452,26219,21782,26986,16082,9845,29508,52249,14780,30596,42339,29578]
[7.97,407.27789999999999,"C00695","Cholic acid","Sterol metabolism","Metabolite LC Neg",1392,2087,561,8760,565,3410,1008,1232,374,1136,1106,530]
[8.14,143.10708974358974,"C06423","caprylate(8:0)","Fatty Acid","Metabolite LC Neg",12862,882,551,784,1022,702,546,873,734,882,1050,1008]
[8.24,451.30169999999998,"C07880","Ursodeoxycholic acid, Ursodiol","Steroids","Metabolite LC Neg",0,39,12,174,24,24,68,48,36,54,80,50]
[8.7799999999999994,157.12260000000001,"C01601","Nonanate(9:0)","Fatty Acid","Metabolite LC Neg",38644,2985,1832,2474,3600,2135,2260,3170,3028,3694,3859,4068]
[9.1300000000000008,171.12921489361702,"C01571","Capric acid(10:0)","Fatty Acid","Metabolite LC Neg",10196,1060,632,1046,1372,776,446,712,709,548,842,1018]
[9.25,391.28280000000001,"C04483","Deoxycholate","Steroids","Metabolite LC Neg",118,192,118,571,156,156,226,317,276,529,428,380]
[10.06,458.3331,"C02990","L-Palmitoylcarnitine(16:0)","Acyl carnitine","Metabolite LC Neg",0,16,17,23,22,16,25,20,29,22,27,27]
[10.220000000000001,243.19399999999999,"C13790","2-Hydroxytetradecanoic acid(14：0-OH)","Fatty Acid","Metabolite LC Neg",518,218,172,211,224,222,259,200,146,367,416,254]
[10.24,197.15350000000001,"M00254","5-Dodecenoate (12:1n7)","Fatty Acid","Metabolite LC Neg",10948,1762,1162,2009,2427,1257,1082,1452,1254,1104,1857,1756]
[10.25,185.15350000000001,"M00047","Undecanoate (11:0)","Fatty Acid","Metabolite LC Neg",3294,528,294,470,661,340,308,497,368,462,508,508]
[10.79,225.1816,"C08322","Myristoleate (14:1n5)","Fatty Acid","Metabolite LC Neg",400,78,37,72,87,38,36,66,36,48,86,66]
[10.8,315.24009999999998,"C04042","20α-Hydroxyprogesterone","Steroids","Metabolite LC Neg",51,38,10,39,32,18,9,19,0,30,24,30]
[10.9,199.1694,"C02679","Dodecanoic acid(12:0)","Fatty Acid","Metabolite LC Neg",21124,4676,3264,4600,7454,3262,3450,5884,3749,4283,5346,5008]
[11.48,213.18430000000001,"C17076","Tridecanoic acid","Fatty Acid","Metabolite LC Neg",2948,796,526,778,988,546,474,868,544,714,950,828]
[11.49,275.19869999999997,"S00004","Stearidonic acid (18:4)","Fatty Acid","Metabolite LC Neg",204,243,160,418,288,161,200,178,106,176,382,342]
[11.88,301.21620000000001,"C06428","Eicosapentaenoic acid","Fatty Acid","Metabolite LC Neg",1566,14404,11619,39008,20987,12916,5466,11805,5848,9957,29536,28222]
[12.02,277.21570000000003,"C06427","Linolenic acid(18:3)","Fatty Acid","Metabolite LC Neg",1080,5488,3191,10846,7346,3706,6840,6058,2293,4232,8826,8784]
[12.18,227.20060000000001,"C06424","Myristic acid(14:0)","Fatty Acid","Metabolite LC Neg",37574,14248,8265,15124,18990,8562,11694,14007,7376,10814,15407,14618]
[12.18,253.21389166666668,"C08362","Palmitoleic acid","Fatty Acid","Metabolite LC Neg",1956,5539,3240,7223,6059,2670,13157,7475,2594,4189,6018,5638]
[12.23,327.23239999999998,"S00008","Docosahexaenoic acid (22:6)","Fatty Acid","Metabolite LC Neg",2896,44662,32217,86476,50742,62905,30242,109420,40114,53441,66602,76854]
[12.23,329.23662439024389,"C16513","Docosapentaenoate (n3 DPA; 22:5n3)","Fatty Acid","Metabolite LC Neg",240,1056,740,1951,1142,1403,712,2500,940,1218,1482,1707]
[12.5,303.23219999999998,"C00219","Arachidonate","Fatty Acid","Metabolite LC Neg",14396,213265,138795,270042,228242,181828,111210,423449,169934,166554,197976,219637]
[12.51,301.21480000000003,"M00053","Abietic acid","Lipid metabolism","Metabolite LC Neg",216,68,43,128,64,40,47,76,48,50,136,92]
[12.56,255.23070000000001,"C00249","Palmitate(16:0)","Fatty Acid","Metabolite LC Neg",4885,1409,872,996,1468,354,851,1195,836,1087,1137,911]
[12.68,279.23175000000003,"C01595","linoleate(18:2n6)","Fatty Acid","Metabolite LC Neg",18105,170918,96848,186094,162762,110462,167132,240897,87609,118812,183410,170540]
[12.69,241.21553599999999,"C16537","Pentadecanoate (15:0)","Fatty Acid","Metabolite LC Neg",6956,5668,2544,4200,5226,2550,3202,4566,2505,3381,4846,4231]
[13,305.24669999999998,"M00257","Dihomo-linolenate (20:3n6)","Fatty Acid","Metabolite LC Neg",442,10772,4646,12425,10744,8712,8588,28308,8386,8726,12450,13414]
[13.4,281.24723870967739,"C01712","Elaidic acid","Fatty Acid","Metabolite LC Neg",21370,129068,78718,142522,139774,88770,218086,203290,91138,102052,145101,144263]
[13.54,307.26159999999999,"C16525","Eicosadienoic acid (20:2)","Fatty Acid","Metabolite LC Neg",314,2950,1346,3052,2594,1836,3405,4382,1599,1871,3264,2641]
[13.67,417.32010000000002,"M00165","1-Stearoyl-rac-glycerol","Monoacylglycerol","Metabolite LC Neg",304369,155037,92074,110786,164430,80586,99699,146273,130114,133604,143376,123109]
[13.72,269.24374155844157,"M00255","Heptadecanoic acid(17:0)","Fatty Acid","Metabolite LC Neg",5604,10516,4277,8146,10256,4378,6700,8454,4364,5091,7542,7541]
[14.58,309.27769999999998,"M00358","Eicosenoic acid (20:1)","Fatty Acid","Metabolite LC Neg",413,2701,1814,2324,2475,1390,6778,3762,1604,1774,3137,2656]
[0.57999999999999996,183.09829999999999,"C00392","D-Mannitol","Sugar","Metabolite LC Pos",300,46,29,32,64,14,39,54,44,42,38,38]
[0.581358024691358,115.03706790123456,"C02512","L-3-Cyanoalanine","Unclassified","Metabolite LC Pos",534,164,154,82,244,126,91,253,102,198,105,154]
[0.59705882352941175,200.04349411764704,"C12147","L-Threonine phosphate","Glycine, Serin metabolism","Metabolite LC Pos",9822,2851,2314,2778,2762,2992,2354,4118,5170,3751,3697,4106]
[0.62,169.0581,"C01959","Taurocyamine","Taurine and hypotaurine metabolism ","Metabolite LC Pos",11248,2900,2310,1302,2788,1482,1386,2335,602,2489,1306,1287]
[0.68,284.0958,"C00387","Guanosine","Purine metabolism","Metabolite LC Pos",9340,2591,1879,2702,2818,1746,2308,2466,2091,1800,4009,2922]
[0.71,180.08699999999999,"M00234","Glucosamine","Sugar","Metabolite LC Pos",2288,264,198,150,284,272,861,498,545,207,260,279]
[0.73,258.1096,"M00313","3-Methylcytidine","Nucleotide metabolism","Metabolite LC Pos",44321,8338,6796,5350,11628,8952,8990,20099,22831,9176,17770,12146]
[0.74,124.02330000000001,"C00253","Nicotinate","Nicotinate and Ncotinamide metabolism","Metabolite LC Pos",10504,3930,3140,3397,3758,3274,2998,4636,4722,4048,3952,3875]
[0.74,130.06743037974684,"C00408","L-Pipecolate","Lysine metabolism","Metabolite LC Pos",60999,13151,8662,7106,10815,7426,6057,12250,5866,8672,9622,7060]
[0.74,212.08817380952382,"M00250","3-Methoxytyrosine","Unclassified","Metabolite LC Pos",588,170,88,148,190,106,126,148,178,136,124,122]
[0.76,360.1413,"C00208","Maltose","Sugar","Metabolite LC Pos",271,48,63,47,66,72,51,344,242,112,72,76]
[0.78,103.11200303030303,"C01672","1,5-Diaminopentane","Polyamine","Metabolite LC Pos",359,31,41,18,40,18,53,36,26,27,16,22]
[0.79,91.049199999999999,"C01013","Hydroxypropionic acid","Pyrimidine metabolism","Metabolite LC Pos",148,33,28,30,36,32,22,52,46,63,42,38]
[0.83,348.06909999999999,"C01367","3'-AMP","Purine metabolism","Metabolite LC Pos",122036,12089,8898,31991,15832,21295,19564,15322,25685,11234,24606,15719]
[0.84,137.07857391304347,"C02918","1-Methylnicotinamide","Nicotinate and Ncotinamide metabolism","Metabolite LC Pos",2236,329,154,329,78,357,204,420,592,0,516,376]
[0.84,615.16189999999995,"C00128","CMP-N-acetylneuraminate","Sugar metabolism","Metabolite LC Pos",26042,4302,2269,2550,3883,2266,2674,5308,4527,2514,3919,3056]
[0.89,144.08572669365722,"C10172","Stachydrine","Alkaloids","Metabolite LC Pos",6768,982,499,824,944,567,508,1045,1728,629,1030,1410]
[0.91,286.09140000000002,"M00261","N4-Acetylcytidine","Nucleotide metabolism","Metabolite LC Pos",1604,886,680,436,810,719,329,829,730,536,536,547]
[0.95,245.08189999999999,"C02067","Pseudouridine","Pyrimidine metabolism","Metabolite LC Pos",3006,924,688,542,906,496,536,1390,837,495,882,842]
[1.04,106.051,"C01769","(S)-2-Acetoin","Unclassified","Metabolite LC Pos",69,35,54,48,40,25,48,58,92,83,75,81]
[1.05,177.11,"C00780","Serotonin","Tryptophan metabolism","Metabolite LC Pos",202,18,24,26,34,27,34,35,46,24,19,22]
[1.07,170.08040793650795,"C00314","Pyridoxine","Cofactors and Vitamins","Metabolite LC Pos",1300,388,274,310,460,354,124,297,156,226,155,200]
[1.08,133.08009999999999,"C02642","N-Carbamoyl-β-alanine","β-Alanine metabolism","Metabolite LC Pos",996,160,110,64,90,63,88,118,99,312,87,73]
[1.0900000000000001,232.15049999999999,"C02862","Butyrylcarnitine","Acyl carnitine","Metabolite LC Pos",10070,2144,3104,2015,2078,1720,12406,3627,6046,4430,3293,2496]
[1.1100000000000001,248.03120000000001,"C00018","Pyridoxal 5-phosphate","Cofactors and Vitamins","Metabolite LC Pos",2686,450,374,398,440,354,292,498,538,414,491,404]
[1.1200000000000001,346.0505,"C00942","3',5'-Cyclic GMP","Purine metabolism","Metabolite LC Pos",0,48,54,39,0,90,36,90,0,78,100,99]
[1.1599999999999999,105.04430000000001,"M00012","2-Hydroxyisobutyric acid","Unclassified","Metabolite LC Pos",1726,372,254,282,400,238,252,392,335,313,356,320]
[1.21,127.05988448275862,"C00178","Thymine","Pyrimidine metabolism","Metabolite LC Pos",445,90,94,90,119,99,57,176,232,110,146,120]
[1.25,312.14010000000002,"M00310","N2,N2-Dimethylguanosine","Nucleotide metabolism","Metabolite LC Pos",336,164,120,141,165,140,84,147,179,132,139,164]
[1.41,295.12630000000001,"M00286","γ-Glutamylphenylalanine","Phenylalanine Tyrosine metabolism","Metabolite LC Pos",186,117,94,88,100,113,77,134,130,92,164,108]
[1.45,252.11142807017544,"C00559","Deoxyadenosine","Purine metabolism","Metabolite LC Pos",264,166,114,94,182,132,90,208,136,136,103,130]
[1.52,100.0993,"C00571","Cyclohexylamine","Unclassified","Metabolite LC Pos",420,138,86,112,196,132,60,173,86,222,97,129]
[2.94,174.10730000000001,"C02710","N-Acetyl-L-leucine","Valine, leucine and isoleucine metabolism","Metabolite LC Pos",862,280,136,232,266,284,158,264,282,184,256,315]
[3.25,298.09589999999997,"C00170","5'-Methylthioadenosine","Cystein metabolism","Metabolite LC Pos",2715,2618,3458,3448,2608,4812,2708,3324,6524,3198,5882,3920]
[3.64,253.12620000000001,"C06952","Cimetidine","Drug or Drug metabolism","Metabolite LC Pos",84,30,45,38,60,32,14,62,46,44,64,42]
[3.9,208.09304666666665,"C05620","N-Acetyl-D-phenylalanine","Phenylalanine Tyrosine metabolism","Metabolite LC Pos",86,64,39,52,68,80,42,58,74,34,43,54]
[3.92,377.14499999999998,"C00255","Riboflavin","Cofactors and Vitamins","Metabolite LC Pos",8058,4208,3476,3402,3664,3484,2406,3396,3230,2343,3194,3167]
[4.42,247.1388,"C03137","N-acetyl-D-tryptophan","Unclassified","Metabolite LC Pos",286,61,16,64,79,42,38,59,62,84,66,0]
[5.85,265.14569999999998,"C06082","Abscisate","Plant metabolites","Metabolite LC Pos",568,190,80,154,133,135,90,233,209,121,177,142]
[5.97,288.2029,"M00312","Octanoylcarnitine(8:0)","Acyl carnitine","Metabolite LC Pos",286,182,114,110,170,114,236,155,312,406,282,284]
[6.25,361.2054,"M00015","1,4-Pregnadien-11 beta,17,21-triol-3-20-dione","Unclassified","Metabolite LC Pos",474,106,78,85,104,76,94,83,124,84,92,53]
[6.37,306.19080000000002,"M00467","16-Epiestriol","Steroids","Metabolite LC Pos",1979,343,268,272,344,208,288,452,284,298,420,278]
[6.38,303.1936,"C05290","19-Hydroxyandrostenedione","Sterol metabolism","Metabolite LC Pos",842,274,144,176,314,160,92,224,168,196,217,166]
[6.51,363.22070000000002,"C00735","Cortisol","Steroids","Metabolite LC Pos",664,321,302,278,220,432,259,453,517,329,607,249]
[7.03,347.21980000000002,"C02140","Corticosterone","Steroids","Metabolite LC Pos",274,97,91,248,138,152,696,180,185,192,284,119]
[7.81,344.28730000000002,"S00019","O-Dodecanoyl-L-carnitine(12:0)","Acyl carnitine","Metabolite LC Pos",596,134,50,261,86,76,85,135,96,110,125,158]
[7.82,289.22289999999998,"C00535","Testosterone","Steroids","Metabolite LC Pos",1230,282,179,311,206,162,212,182,238,162,140,184]
[8.6199999999999992,300.28559999999999,"C00319","D-Sphingosine","SphingoLipids","Metabolite LC Pos",0,396,231,371,378,265,166,370,138,234,199,262]
[8.91,468.30709999999999,"S00010","1-Myristoylglycerophosphocholine(14:0)","Lyso PC","Metabolite LC Pos",624,154,181,178,152,146,126,162,176,118,200,182]
[9.31,494.32177307692308,"S00012","1-Palmitoleoylglycerophosphocholine(16:1)","Lyso PC","Metabolite LC Pos",1948,4815,5788,8239,6156,5300,3726,6218,5434,4800,6503,7382]
[9.57,544.34139230769233,"S00017","1-Arachidonoylglycerophosphocholine(20:4)","Lyso PC","Metabolite LC Pos",13246,64500,96105,127102,99602,98951,62456,110625,105845,92924,118918,121185]
[9.8000000000000007,496.33539999999999,"C04102","1-Palmitoylglycerophosphocholine(16:0)","Lyso PC","Metabolite LC Pos",7878,33823,28836,39062,27797,31602,24696,32498,26720,23076,30344,30056]
[10.35,482.34313975903615,"S00024","1-Pentadecanoyl-glycero-3-phosphocholine(15:0)","Lyso PC","Metabolite LC Pos",170,2558,2474,2928,2288,2862,2290,2485,2313,1994,2322,2090]
[10.53,510.35129999999998,"S00025","1-Heptadecanoyl-glycero-3-phosphocholine (17:0)","Lyso PC","Metabolite LC Pos",778,1364,1410,1731,1227,1582,1329,1568,1423,1311,1594,1593]
[10.79,431.33033636363638,"C08902","Hecogenin","Steroids","Metabolite LC Pos",57,36,22,44,62,9,20,28,32,28,24,32]
[12.03,282.274,"M00241","9-Octadecenamide","Lipid metabolism","Metabolite LC Pos",289,36,28,40,24,26,40,44,34,32,31,17]
[12.57,331.28315352112674,"M00288","1-Palmitoylglycerol (1-monopalmitin)","Monoacylglycerol","Metabolite LC Pos",39393,40390,26270,36184,43145,24432,26922,38887,28435,35417,35908,32606]

{"sheet":"Diff01","index":3,"n_rows":408,"n_cols":26,"rows_kept":408,"cut":false,"hidden":false,"merged":[]}
["Rt","Ms","Number","Name","Category","Method","rat liver_2-1","rat liver_2-2","rat liver_2-3","rat liver_2-4","rat liver_2-5","rat liver_2-6","rat liver_1-1","rat liver_1-2","rat liver_1-3","rat liver_1-4","rat liver_1-5","rat liver_1-6","Mean","SD","Mean","SD","P Value","T-TEST","Separation","Ratio"]
["Class1",null,null,"Diabetes vs Controls",null,null,"Controls","Controls","Controls","Controls","Controls","Controls","Diabetes","Diabetes","Diabetes","Diabetes","Diabetes","Diabetes"]
[2.2200000000000002,297.24099999999999,"C08365","Ricinoleic acid(18:1-OH)","Fatty Acid","Lipid LC Neg",85,116,70,78,90,80,140,56,54,44,55,74,86.5,15.94678651014053,70.5,35.404801934200961,0.33662463611278592,null,null,0.81502890173410403]
[3.49,465.30689999999998,"C18043","Cholesterol sulfate","Steroids","Lipid LC Neg",346,494,482,386,404,463,281,642,388,522,390,460,429.16666666666669,59.250035161733457,447.16666666666669,124.98386562539443,0.75646158128425534,null,null,1.0419417475728154]
[4.0599999999999996,283.2663,"C01530","Octadecanoic acid(18:0)","Fatty Acid","Lipid LC Neg",31756,22520,22464,19960,23972,23515,48096,33383,30124,26659,34756,24220,24031.166666666668,4031.3028373798338,32873,8445.0070929514313,4.3181492256414176E-2,"*",null,1.3679319217405175]
[5.07,337.30869999999999,"M00353","Erucic acid(22:1)","Fatty Acid","Lipid LC Neg",632,111,141,87,118,91,0,74,150,94,62,107,196.66666666666666,214.1650453894535,81.166666666666671,50.153431255166055,0.2494397200298461,null,null,0.4127118644067797]
[6.22,339.32850000000002,"M00352","Docosanoic acid(22:0)","Fatty Acid","Lipid LC Neg",250,110,154,89,138,179,0,156,156,137,119,156,153.33333333333334,57.018125773008961,120.66666666666667,60.951346717416058,0.36031289699015812,null,null,0.78695652173913044]
[7.5478787878787879,367.3601727272727,"C08320","Tetracosanoic acid(24:0)","Fatty Acid","Lipid LC Neg",458,286,338,240,342,269,195,368,317,309,304,382,322.16666666666669,77.434918910441652,312.5,66.062848863790308,0.82074201498886967,null,null,0.96999482669425763]
[2.57,480.29610000000002,"S10129","Lyso PE(18:1)","Lyso PE","Lipid LC Pos",452,352,456,296,432,326,434,296,437,349,319,432,385.66666666666669,69.609386340253522,377.83333333333331,64.154241221190318,0.84343971974740184,null,null,0.97968885047536725]
[3,482.3168,"S10128","Lyso PE(18:0)","Lyso PE","Lipid LC Pos",2016,2177,2026,2242,2514,2264,3249,2476,3158,2904,2216,3138,2206.5,183.77350189839666,2856.8333333333335,419.87541803095257,5.9647983486177461E-3,"**",null,1.2947352519072439]
[5.76,811.5222097560976,"M00479","16:0 PI","Phosphatidyl inositol","Lipid LC Pos",347,232,372,353,376,240,156,294,352,306,224,309,320,66.033324920073497,273.5,70.930247426609199,0.26708658002833069,null,null,0.85468750000000004]
[5.84,830.56150000000002,"S10211","PC(40:8)","Other Group","Lipid LC Pos",8978,7872,15544,8130,15026,9506,8384,6894,7232,10788,7455,7122,10842.666666666666,3494.2779893229267,7979.166666666667,1469.6098008201573,9.3994715160780132E-2,null,null,0.7359044515494344]
[5.84,832.56730000000005,"S10205","PC(40:7)","Other Group","Lipid LC Pos",1199,1104,2080,1082,2020,1331,1416,996,1030,1486,1116,1043,1469.3333333333333,458.66312983132491,1181.1666666666667,213.79655438445823,0.19326476651452129,null,null,0.80387931034482762]
[5.92,764.5077,"S10208","PE(38:6)","Other Group","Lipid LC Pos",54,56,72,52,76,77,0,65,55,52,58,58,64.5,11.691877522451216,48,23.908157603629771,0.15981886213225782,null,null,0.7441860465116279]
[6.19,688.4914,"S10133","PE(32:2)","Phosphatidylethanolamine","Lipid LC Pos",30,43,66,48,50,41,0,79,63,48,54,70,46.333333333333336,11.910779431534563,52.333333333333336,27.918930256488455,0.63867795795995863,null,null,1.1294964028776979]
[6.56,782.5616,"S10097","PC(36:4)","Phosphatidylcholine","Lipid LC Pos",13170,9318,22980,10385,18830,10706,11318,9256,15604,10346,9262,12134,14231.5,5480.4458121579855,11320,2385.765789007798,0.26035191596097362,null,null,0.7954186136387591]
[6.96,740.5145,"M00418","PE(36:4)","Phosphatidylethanolamine","Lipid LC Pos",44988,66318,66130,64010,77828,67192,96592,71654,67288,70046,67554,70277,64411,10693.504477017812,73901.833333333328,11242.251241040045,0.1649343132281694,null,null,1.1473480202656896]
[7.12,690.49590000000001,"S10132","PE(32:1)","Phosphatidylethanolamine","Lipid LC Pos",101,150,174,152,174,205,172,124,128,210,198,162,159.33333333333334,34.811875368423756,165.66666666666666,35.268493966522989,0.76067215548816813,null,null,1.0397489539748952]
[7.13,808.57730000000004,"S10148","PC(38:5)","Other Group","Lipid LC Pos",69371,81616,116147,77150,115815,93960,77239,82056,90240,76816,70662,82180,92343.166666666672,19968.918102057185,79865.5,6613.4380695671443,0.19578907293836625,null,null,0.86487720621811026]
[7.16,830.55939999999998,"S10149","PC(40:8)","Other Group","Lipid LC Pos",4766,6598,7368,5938,7918,6366,10230,6386,4100,5003,5928,3764,6492.333333333333,1105.7988364375633,5901.833333333333,2349.1685692318183,0.58971988507704487,null,null,0.90904656774657289]
[7.3,716.5145,"S10136","PE(34:2)","Phosphatidylethanolamine","Lipid LC Pos",27308,45026,44280,41730,45368,42132,49836,40120,46275,46129,38748,55409,40974,6860.4319397542313,46086.166666666664,6171.8360126194857,0.20462867144641259,null,null,1.1247661118432826]
[7.51,784.57659999999998,"S10096","PC(36:3)","Phosphatidylcholine","Lipid LC Pos",43410,41020,86288,39852,66650,46953,40858,37256,55151,37100,34878,46476,54028.833333333336,18617.126893445897,41953.166666666664,7635.6113158454309,0.17231394682046206,null,null,0.77649588337091602]
[7.59,369.34379999999999,"C00187","Cholesterol","Sterol metabolism","Lipid LC Pos",660,714,844,670,894,790,820,815,754,760,710,818,762,96.0249967456391,779.5,45.262567315608599,0.69486293482283856,null,null,1.022965879265092]
[7.6177419354838705,810.59083870967743,"S10202","PC(38:4)","Other Group","Lipid LC Pos",2094,2308,4886,2260,3507,2485,2101,1921,3084,1860,1636,3000,2923.3333333333335,1085.4771608222197,2267,619.008885235099,0.22722518855837456,null,null,0.77548460661345497]
[7.75,792.54660000000001,"M00420","PE(40:6)","Phosphatidylethanolamine","Lipid LC Pos",36675,43042,43326,55514,53146,49488,62170,57978,53308,51690,50481,48067,46865.166666666664,7100.876577343588,53949,5214.5295473321466,7.7197735814695814E-2,null,null,1.1511534864202624]
[7.96,582.50059999999996,"S10063","DG(32:2)","Diacylglycerol ","Lipid LC Pos",961,252,158,150,191,178,127,84,147,122,106,104,315,318.52911954796224,115,21.817424229271428,0.1849807161930124,null,"*",0.36507936507936506]
[8.11,768.54660000000001,"M00419","PE(38:4)","Phosphatidylethanolamine","Lipid LC Pos",149220,168242,173760,165851,195458,169505,301576,184821,155411,165346,180002,156732,170339.33333333334,14925.914855266548,190648,55649.698755698577,0.42266511799862305,null,null,1.1192247631198899]
[8.1300000000000008,608.51678421052634,"S10066","DG(34:3)","Diacylglycerol ","Lipid LC Pos",1512,459,306,306,384,336,190,210,248,344,280,256,550.5,474.58350160956923,254.66666666666666,54.489142649400009,0.18825443861103741,null,null,0.46260974871329091]
[8.17,692.52239999999995,"M00412","PE(32:0)","Phosphatidylethanolamine","Lipid LC Pos",70,41,90,58,52,76,123,57,68,49,60,80,64.5,17.683325479106017,72.833333333333329,26.738860608983817,0.53859048140755195,null,null,1.1291989664082687]
[8.19,812.5992,"S10104","PC(38:3)","Phosphatidylcholine","Lipid LC Pos",92385,108576,133227,101777,146046,127190,127228,116282,108420,110686,112698,100368,118200.16666666667,20546.440445163869,112613.66666666667,8925.2631483148252,0.5549207282914036,null,null,0.95273695327558761]
[8.26,634.53210000000001,"S10070","DG(36:4)","Diacylglycerol ","Lipid LC Pos",5192,2728,2225,2209,3124,2476,2330,1375,1734,2206,1824,2081,2992.3333333333335,1130.907010618763,1925,351.1421364632846,6.9687563010051592E-2,null,null,0.64331068285618798]
[8.2799999999999994,836.60709999999995,"S10152","PC(40:5)","Other Group","Lipid LC Pos",12435,13526,18328,13428,18462,14582,14018,17168,15337,12843,12020,14928,15126.833333333334,2621.5383588013069,14385.666666666666,1846.7223577643313,0.58376976321650798,null,null,0.95100318418704066]
[8.6199999999999992,786.59320000000002,"S10094","PC(36:2)","Phosphatidylcholine","Lipid LC Pos",204998,238113,347534,225756,320406,258378,262004,267714,337140,246563,232664,330948,265864.16666666669,56185.938598253058,279505.5,44028.951383152431,0.64974568403588773,null,null,1.051309409253472]
[8.75,838.61410000000001,"S10207","PC(40:4)","Other Group","Lipid LC Pos",186,226,255,216,238,296,313,250,186,173,242,210,236.16666666666666,37.32246865718642,229,51.013723643741201,0.78688086445657401,null,null,0.96965419901199723]
[8.9600000000000009,584.51020000000005,"S10062","DG(32:1)","Diacylglycerol ","Lipid LC Pos",1264,243,142,148,155,158,0,42,108,138,95,72,351.66666666666669,448.50536971887715,75.833333333333329,49.349434309489986,0.193195902132379,null,"*",0.21563981042654026]
[9.08,704.55229999999995,"M00421","PE(C16/18:1)","Phosphatidylethanolamine","Lipid LC Pos",92,56,62,64,57,34,0,67,48,51,44,62,60.833333333333336,18.659224707009304,45.333333333333336,23.846732830026564,0.23839877667394266,null,null,0.74520547945205484]
[9.1199999999999992,720.56690000000003,"S10134","PE(34:0)","Phosphatidylethanolamine","Lipid LC Pos",75,48,108,80,76,59,132,49,72,63,69,68,74.333333333333329,20.480885397527793,75.5,28.849610049357686,0.93721697983058994,null,null,1.0156950672645741]
[9.14,838.62379999999996,"S10114","PC(40:4)","Phosphatidylcholine","Lipid LC Pos",2350,1921,2352,1948,2220,2126,1920,1880,1600,1682,1735,1740,2152.8333333333335,189.46072592140743,1759.5,120.58814203726666,1.5860845427921612E-3,"**","*",0.81729503754741806]
[9.15,610.53229999999996,"S10065","DG(34:2)","Diacylglycerol ","Lipid LC Pos",18859,8918,9030,7492,9664,9238,7094,5542,6648,8312,6180,8808,10533.5,4144.137437392732,7097.333333333333,1254.1347083414375,0.10064132244593899,null,null,0.67378680717077255]
[9.2200000000000006,636.548,"S10069","DG(36:3)","Diacylglycerol ","Lipid LC Pos",19061,6978,6340,4802,6750,5614,3974,2657,4244,4774,3708,4524,8257.5,5352.2082825689813,3980.1666666666665,751.0548359917974,0.1080893062795355,null,"*",0.48200625693813703]
[9.41,662.56399999999996,"S10074","DG(38:4)","Diacylglycerol ","Lipid LC Pos",395,226,266,198,269,212,140,84,134,166,110,166,261,71.61005515987263,133.33333333333334,32.116454764912419,2.5818311431243524E-3,"**","*",0.51085568326947639]
[9.9600000000000009,662.56370000000004,"S10075","DG(38:4)","Diacylglycerol ","Lipid LC Pos",9228,6456,8982,5995,8343,6456,16003,7568,7020,7433,5202,7457,7576.666666666667,1435.4502661766664,8447.1666666666661,3806.3217634176258,0.61158719949580453,null,null,1.1148922129344478]
[10.039999999999999,586.52819999999997,"M00324","DG(32:0)","Diacylglycerol ","Lipid LC Pos",1151,290,204,243,240,204,329,172,198,193,162,166,388.66666666666669,374.80964057327378,203.33333333333334,63.263470238888004,0.2831915850032713,null,null,0.52315608919382506]
[10.130000000000001,612.54719999999998,"S10064","DG(34:1)","Diacylglycerol ","Lipid LC Pos",9640,3526,3652,2794,3506,3494,2422,1766,2177,2930,2237,2848,4435.333333333333,2567.9874350679106,2396.6666666666665,438.24087744831286,0.11019871529853147,null,null,0.54035773335337445]
[10.25,638.56410000000005,"M00379","DG(36:2)","Diacylglycerol ","Lipid LC Pos",13538,4678,4814,3120,4418,3592,3170,2436,3618,3306,2550,3774,5693.333333333333,3898.8984427228506,3142.3333333333335,548.19327491922695,0.17114810303762637,null,null,0.55193208430913354]
[10.41,664.57946491228074,"S10073","DG(38:3)","Diacylglycerol ","Lipid LC Pos",1555,592,602,506,728,520,395,312,466,407,294,380,750.5,401.94813098209573,375.66666666666669,63.651132485342899,7.1173650948262002E-2,null,"*",0.50055518543193434]
[10.42,748.58,"M00414","PE(36:0)","Phosphatidylethanolamine","Lipid LC Pos",92,72,112,79,80,84,0,84,74,77,74,72,86.5,14.110279940525631,63.5,31.392674304684526,0.13269707736391101,null,null,0.73410404624277459]
[11.18,640.57799999999997,"S10067","DG(36:1)","Diacylglycerol ","Lipid LC Pos",2478,640,658,432,670,550,629,360,552,480,389,419,904.66666666666663,775.9563561610064,471.5,103.29908034440578,0.23141340183375403,null,null,0.52118644067796616]
[11.21,666.60019999999997,"S10071","DG(38:2)","Diacylglycerol ","Lipid LC Pos",754,156,124,86,142,110,0,33,124,73,57,75,228.66666666666666,258.51782659357684,60.333333333333336,42.017456689650629,0.17331251893436889,null,null,0.26384839650145775]
[13.83,868.73080000000004,"S10023","TG(52:6)","Triacylglycerol","Lipid LC Pos",9856,708,158,474,217,158,622,408,792,588,598,296,1928.5,3889.7048602689638,550.66666666666663,174.45534290088867,0.42553339395740675,null,null,0.28554143980641256]
[13.91,944.76289999999995,"S10051","TG(58:10)","Triacylglycerol","Lipid LC Pos",19850,6325,3936,7926,4760,3430,9215,6325,9174,8899,8824,5150,7704.5,6174.2736495882655,7931.166666666667,1745.930974198769,0.93395634550349726,null,null,1.0294200359097498]
[13.93,894.74580000000003,"S10035","TG(54:7)","Triacylglycerol","Lipid LC Pos",37536,2772,823,2244,911,744,2368,2055,3384,2638,2368,1532,7505,14736.223749658526,2390.8333333333335,616.26176797418418,0.43433153668508695,null,null,0.31856540084388185]
[14.14,842.71479999999997,"S10164","TG(50:5)","Other Group","Lipid LC Pos",0,188,66,196,82,94,250,113,252,226,219,122,104.33333333333333,75.317107397102461,197,62.992062992094489,4.3376084338974011E-2,"*",null,1.8881789137380192]
[14.37,894.7473,"S10036","TG(54:7)","Triacylglycerol","Lipid LC Pos",5043,8042,3064,11096,3974,4982,10131,11569,0,0,13823,7608,6033.5,2993.6329601338907,7188.5,5922.6467309810059,0.67890572441882036,null,null,1.1914311759343665]
[14.45,844.73109999999997,"S10009","TG(50:4)","Triacylglycerol","Lipid LC Pos",106625,4562,828,2220,807,762,2164,1444,5101,2175,2287,1269,19300.666666666668,42805.265898796453,2406.6666666666665,1386.1689170756451,0.37821538753891382,null,null,0.12469344754930743]
[14.5,868.73,"S10168","TG(52:6)","Other Group","Lipid LC Pos",2887,222,62,169,64,75,161,120,274,198,176,100,579.83333333333337,1132.1606629214189,171.5,61.811811169063795,0.41785966446992234,null,null,0.29577464788732394]
[14.53,818.71219565217393,"S10004","TG(48:3)","Triacylglycerol","Lipid LC Pos",50633,2488,124,623,202,182,376,186,1424,626,665,265,9042,20395.20375970782,590.33333333333337,451.02402005510379,0.35671666359571846,null,null,6.5287915652879155E-2]
[14.6,896.76250000000005,"S10033","TG(54:6)","Triacylglycerol","Lipid LC Pos",295097,23984,6434,12772,5945,4030,13192,10458,34343,13760,13415,9912,58043.666666666664,116360.79450513676,15846.666666666666,9205.2895590886565,0.41595216581379935,null,null,0.27301284664993597]
[14.63,920.76250000000005,"S10050","TG(56:8)","Triacylglycerol","Lipid LC Pos",59838,54956,21584,72339,24039,27080,57646,49224,60312,70950,68958,51820,43306,21717.689849521288,59818.333333333336,8816.1611071183597,0.11512413015336932,null,null,1.3812943549007837]
[14.65,946.77869999999996,"S10061","TG(58:9)","Triacylglycerol","Lipid LC Pos",34674,10338,7078,12095,6900,5345,12978,8152,12924,12954,13172,8609,12738.333333333334,11028.470767366918,11464.833333333334,2395.0584474427078,0.7923763265061079,null,null,0.90002616773518251]
[14.85,858.74630000000002,"S10016","TG(51:4)","Triacylglycerol","Lipid LC Pos",19436,1694,566,1264,503,444,987,902,1954,1010,1001,900,3984.5,7586.0198721068482,1125.6666666666667,408.71440721690567,0.39871367001792735,null,null,0.28251139833521566]
[14.98,922.77809999999999,"S10048","TG(56:7)","Triacylglycerol","Lipid LC Pos",72112,17790,8558,20930,7688,7376,17116,14197,20514,20558,20306,15990,22409,25013.835939335655,18113.5,2734.529849901076,0.69280171333195872,null,null,0.808313623990361]
[14.99,948.79319999999996,"S10059","TG(58:8)","Triacylglycerol","Lipid LC Pos",29342,3502,2035,3737,1772,1371,3472,2384,4242,3296,3474,2596,6959.833333333333,11006.428183869037,3244,672.76979718177006,0.4464475320075233,null,null,0.46610311549606076]
[15.01,896.76239999999996,"S10034","TG(54:6)","Triacylglycerol","Lipid LC Pos",57394,29520,11251,35661,11198,13927,28211,24770,32168,37744,35784,22266,26491.833333333332,18287.956095930094,30157.166666666668,6137.4976143919275,0.65775006457680663,null,null,1.1383571037615368]
[15.3,872.76319999999998,"M00399","TG(52:4)","Triacylglycerol","Lipid LC Pos",514450,171154,62052,149718,50780,50810,120716,116164,188334,145482,140091,123696,166494,178357.60523622198,139080.5,26709.590964670351,0.72427375008335948,null,null,0.83534842096411888]
[15.32,898.77850000000001,"M00401","TG(54:5)","Triacylglycerol","Lipid LC Pos",474484,76216,19768,30726,13995,9804,27880,20666,90782,29834,31068,24182,104165.5,183012.6093532902,37402,26428.579833203297,0.41543151530057387,null,null,0.3590632215080809]
[15.38,922.77809999999999,"S10049","TG(56:7)","Triacylglycerol","Lipid LC Pos",29146,23438,10612,28479,9868,11924,22854,18360,21790,28759,29043,20406,18911.166666666668,9124.286238751316,23535.333333333332,4420.5947865266617,0.29003788354877341,null,null,1.2445204332537212]
[15.53,860.76170000000002,"S10014","TG(51:3)","Triacylglycerol","Lipid LC Pos",54987,3400,923,1840,644,638,1310,1062,3250,1564,1560,1434,10405.333333333334,21865.789294390146,1696.6666666666667,783.63631020178389,0.37425208372015584,null,null,0.16305740645822656]
[15.62,950.80769999999995,"S10057","TG(58:7)","Triacylglycerol","Lipid LC Pos",42103,5150,2646,5241,1005,1626,1549,3388,6058,4810,5144,3828,9628.5,16006.625712497935,4129.5,1581.8411740753243,0.43983436492365607,null,null,0.42888300358311265]
[15.73,872.76199999999994,"S10021","TG(52:4)","Triacylglycerol","Lipid LC Pos",9371,1348,542,1123,597,512,1264,822,1420,1395,1274,940,2248.8333333333335,3506.071386419088,1185.8333333333333,247.0938418226298,0.49179305223694381,null,null,0.52731045727414205]
[15.74,898.77779999999996,"S10032","TG(54:5)","Triacylglycerol","Lipid LC Pos",46174,12684,5380,13314,4504,5694,11437,8192,11374,14214,13740,8604,14625,15927.919073124398,11260.166666666666,2505.5059701917844,0.63000540942428174,null,null,0.7699259259259259]
[15.76,924.79399999999998,"S10047","TG(56:6)","Triacylglycerol","Lipid LC Pos",75376,17331,8462,18454,6572,6977,14474,11472,16502,16572,16607,13580,22195.333333333332,26571.162109826259,14867.833333333334,2094.9791804852503,0.53020722889093908,null,null,0.66986303427146854]
[16.02,874.77909999999997,"M00402","TG(52:3)","Triacylglycerol","Lipid LC Pos",579379,234294,79790,161342,52150,57084,120276,105834,215344,155155,152458,145799,194006.5,201553.20014502373,149144.33333333334,37814.973926563347,0.61357218293665516,null,null,0.76875946596291023]
[16.05,900.7944,"S10029","TG(54:4)","Triacylglycerol","Lipid LC Pos",557222,98436,21742,30453,13404,10154,24740,18252,118332,28222,30028,24973,121901.83333333333,215735.26937653625,40757.833333333336,38215.892654322059,0.40356747238743412,null,null,0.33434963379003052]
[16.190000000000001,924.79449999999997,"S10180","TG(56:6)","Other Group","Lipid LC Pos",8524,645,244,522,282,286,594,380,916,580,562,386,1750.5,3322.1209941842876,569.66666666666663,195.14678236308856,0.42424888248420078,null,null,0.32543082928687039]
[16.21,950.81079999999997,"S10187","TG(58:7)","Other Group","Lipid LC Pos",10003,1066,621,1030,630,578,1174,726,1518,1062,1117,713,2321.3333333333335,3769.4126686616132,1051.6666666666667,302.50994474011361,0.44781128012758903,null,null,0.45304422745548534]
[16.32,926.80939999999998,"S10046","TG(56:5)","Triacylglycerol","Lipid LC Pos",0,3356,2318,5216,2257,1924,4082,2724,2023,3062,4317,1752,2511.8333333333335,1719.4476341740294,2993.3333333333335,1048.5227067959315,0.57109895790438814,null,null,1.191692654767434]
[16.399999999999999,862.77539999999999,"S10012","TG(51:2)","Triacylglycerol","Lipid LC Pos",76542,3375,801,1414,590,610,1482,788,3352,1190,1269,1180,13888.666666666666,30711.754151573085,1543.5,914.07652852482761,0.370146486540189,null,null,0.11113377814045025]
[16.649999999999999,850.77819999999997,"M00386","TG(50:1)","Triacylglycerol","Lipid LC Pos",315416,37452,3641,10100,3166,2849,6960,4400,28026,8810,9576,7256,62104,124805.34580057058,10838,8607.5574235668046,0.36114648715163367,null,null,0.17451371892309675]
[16.72,876.79409999999996,"M00397","TG(52:2)","Triacylglycerol","Lipid LC Pos",577952,106988,24981,47679,14286,16233,30107,25653,106002,47670,44746,45656,131353.16666666666,221503.02822978891,49972.333333333336,28902.010384515932,0.4117911291743408,null,null,0.38044254738180405]
[16.77,824.76179999999999,"M00339","TG(48:0)","Triacylglycerol","Lipid LC Pos",63578,5984,818,1630,823,600,2206,884,3699,978,1276,773,12238.833333333334,25233.309116456898,1636,1136.1079174092574,0.35081580775151294,null,null,0.13367287186959539]
[16.79,928.8252,"S10044","TG(56:4)","Triacylglycerol","Lipid LC Pos",92709,6502,1899,2440,1448,0,0,1571,13438,2266,2291,2024,17499.666666666668,36909.243257843511,3598.3333333333335,4895.709985963902,0.40102312758657671,null,null,0.20562296424693804]
[16.82,369.34280000000001,"M00216","CE(14:0)","Sterol metabolism","Lipid LC Pos",17856,4190,3774,4934,5312,4007,14229,10998,6328,12280,10290,10108,6678.833333333333,5506.5919193877689,10705.5,2633.3177362407296,0.13718589384072746,null,null,1.6028997080328402]
[16.9878,952.83485799999994,"S10188","TG(58:6)","Other Group","Lipid LC Pos",2129,246,94,376,288,238,491,154,230,344,352,170,561.83333333333337,773.17744836917393,290.16666666666669,129.34978417711667,0.43274989374063016,null,null,0.51646395728270544]
[17.079999999999998,864.79039999999998,"S10010","TG(51:1)","Triacylglycerol","Lipid LC Pos",35494,1318,310,470,0,0,177,320,1302,338,502,354,6265.333333333333,14327.258979535014,498.83333333333331,406.81416723937559,0.36957247488631534,null,null,7.961800383060226E-2]
[17.11,890.80809999999997,"S10025","TG(53:2)","Triacylglycerol","Lipid LC Pos",58740,1881,472,709,360,379,670,446,2514,586,653,638,10423.5,23677.112803295931,917.83333333333337,786.17464132765474,0.37072035742850357,null,null,8.8054236420907886E-2]
[17.21,954.84140000000002,"S10055","TG(58:5)","Triacylglycerol","Lipid LC Pos",1984,526,402,446,438,376,718,350,636,480,514,300,695.33333333333337,633.36266598739996,499.66666666666669,160.69557139718148,0.49260284162282453,null,null,0.71860019175455414]
[17.23,928.82799999999997,"S10181","TG(56:4)","Other Group","Lipid LC Pos",2094,300,210,276,246,186,486,256,436,422,350,288,552,756.57121277510953,373,90.091065039769617,0.5892435162484424,null,null,0.67572463768115942]
[17.32,848.81240000000003,"M00384","TG(51:2)","Triacylglycerol","Lipid LC Pos",120,368,376,312,413,404,462,530,574,370,304,619,332.16666666666669,109.83700044459825,476.5,121.64168693338645,5.637921473642149E-2,null,null,1.4345208228800801]
[17.45,878.80939999999998,"S10017","TG(52:1)","Triacylglycerol","Lipid LC Pos",291984,10755,1493,2563,1498,1300,2832,1614,17296,2723,2694,2084,51598.833333333336,117820.55906745081,4873.833333333333,6103.5522252755945,0.37632091008091395,null,null,9.4456270006104778E-2]
[17.46,852.79179999999997,"M00385","TG(50:0)","Triacylglycerol","Lipid LC Pos",67248,2426,428,725,624,431,1183,605,2936,622,642,438,11980.333333333334,27086.131526422643,1071,948.0776339519881,0.36932313072551387,null,null,8.9396510948498931E-2]
[17.47,904.82479999999998,"S10027","TG(54:2)","Triacylglycerol","Lipid LC Pos",376454,13482,2277,3143,1973,1632,3228,2110,29098,3392,3234,2748,66493.5,151916.21672323201,7301.666666666667,10688.27016250369,0.38438535984049321,null,null,0.10981023207782215]
[17.5,930.84090000000003,"S10043","TG(56:3)","Triacylglycerol","Lipid LC Pos",118540,3588,942,1144,778,608,1154,725,9864,1107,1012,938,20933.333333333332,47830.010924801871,2466.6666666666665,3627.0816735588774,0.38850581291680658,null,null,0.1178343949044586]
[17.66,369.3426,"C11251","CE(16:0)","Sterol metabolism","Lipid LC Pos",31826,5698,4475,6051,5878,4800,17240,13306,9298,18904,14815,14648,9788,10814.461854387393,14701.833333333334,3324.6342605866662,0.32874076878360786,null,null,1.5020262906960906]
[18.170000000000002,906.83979999999997,"M00387","TG(54:1)","Triacylglycerol","Lipid LC Pos",83196,1410,386,434,460,344,662,391,3716,534,442,342,14371.666666666666,33719.314902095306,1014.5,1328.3074568788659,0.37666566005750013,null,null,7.0590281804476407E-2]
[18.2,958.87199999999996,"S10053","TG(58:3)","Triacylglycerol","Lipid LC Pos",31584,510,158,244,159,122,145,132,2212,164,130,143,5462.833333333333,12797.488291327587,487.66666666666669,844.8343427362945,0.3852891072474573,null,null,8.9269914879336124E-2]
[18.41,864.81679999999994,"S10011","TG(51:1)","Triacylglycerol","Lipid LC Pos",158,46,74,54,64,34,0,50,80,76,56,49,71.666666666666671,44.513668312852701,51.833333333333336,28.610604094752471,0.38017781885446889,null,null,0.72325581395348837]
[18.52,369.34870000000001,"M00213","CE(18:0)","Sterol metabolism","Lipid LC Pos",7652,326,242,340,360,290,862,756,564,907,793,712,1535,2996.9949616240601,765.66666666666663,121.36336624643657,0.55731656873187052,null,null,0.49880564603691635]
[18.84,908.85270000000003,"M00338","TG(54:0)","Triacylglycerol","Lipid LC Pos",3016,186,141,155,176,124,446,134,301,130,158,88,633,1167.6451515764538,209.5,136.92297104576718,0.41694382465285035,null,null,0.33096366508688785]
[19.22,934.88549999999998,"S10143","TG(56:1)","Other Group","Lipid LC Pos",124,45,52,39,58,52,234,73,58,68,39,62,61.666666666666664,31.232461745220572,89,71.98888803141773,0.41351544905412141,null,null,1.4432432432432434]
[7.56,179.05719999999999,"C00221","beta-D-Glucose","Sugar","Metabolite CE AN",3064,10010,21100,5922,7026,8135,4656,3842,7213,3676,3358,10248,9209.5,6269.3195723299987,5498.833333333333,2714.9329580427338,0.21292592091657517,null,null,0.59708272255098893]
[7.56,341.10419999999999,"C01235","Galactinol","Sugar","Metabolite CE AN",71,272,417,93,72,75,76,62,66,52,52,93,166.66666666666666,145.3996790459548,66.833333333333329,15.70244142376167,0.15402449534667509,null,null,0.40099999999999997]
[7.6,220.10050000000001,"C00645","N-Acetyl-D-Mannosamine","Sugar","Metabolite CE AN",90,172,168,124,180,150,322,201,146,194,174,150,147.33333333333334,34.471244054525592,197.83333333333334,64.784000082324866,0.12276445586593511,null,null,1.342760180995475]
[8.6999999999999993,662.10029999999995,"C00003","NAD+","Nicotinate and Ncotinamide metabolism","Metabolite CE AN",286,276,416,246,296,282,352,256,278,372,252,377,300.33333333333331,59.132619311735837,314.5,58.786903303371915,0.68607650101085627,null,null,1.0471698113207548]
[8.8699999999999992,448.30709999999999,"C05466","Glycochonodeoxycholate","Bile secretion","Metabolite CE AN",121,210,70,112,164,142,92,75,98,114,73,44,136.5,47.857078891215252,82.666666666666671,24.29540422933249,3.3855476356499915E-2,"*",null,0.60561660561660569]
[8.93,407.27859999999998,"M00146","Allocholic Acid","Lipid metabolism","Metabolite CE AN",32,31,16,24,40,22,0,26,14,72,15,27,27.5,8.5264294989168832,25.666666666666668,24.727852043124706,0.86917505668151152,null,null,0.93333333333333335]
[9.0399999999999991,351.2167,"C00584","Prostaglandin E2","Prostaglandins","Metabolite CE AN",26,36,46,28,41,24,48,54,33,39,38,32,33.5,8.8938180777436635,40.666666666666664,8.6641021846851967,0.18777903584292943,null,null,1.2139303482587065]
[9.2286206896551732,308.09963448275863,"C00270","N-Acetylneuraminate","Urea Cycle","Metabolite CE AN",114,110,122,94,116,112,152,111,92,130,100,130,111.33333333333333,9.4375137968994078,119.16666666666667,22.292749194898903,0.44639987460606334,null,null,1.0703592814371259]
[9.51,283.06959999999998,"C01762","Xanthosine","Purine metabolism","Metabolite CE AN",114,324,396,244,176,198,222,358,357,166,244,446,242,103.07278981380101,298.83333333333331,104.97317117562312,0.36631336918461699,null,null,1.2348484848484849]
[9.9504545454545461,157.03113409090909,"C02350","(S)(+)-Allantoin","Purine metabolism","Metabolite CE AN",47,69,106,66,64,98,76,52,40,78,38,77,75,22.414281161795039,60.166666666666664,19.062178959045223,0.24511433471724289,null,null,0.80222222222222217]
[10.050000000000001,664.1155,"C00004","NADH","Nucleotide metabolism","Metabolite CE AN",8,15,18,13,0,12,0,17,14,14,14,26,11,6.324555320336759,14.166666666666666,8.3526442918794679,0.47610521951409535,null,null,1.2878787878787878]
[10.07,195.05189999999999,"C00257","D-Gluconic acid","Pentose phosphate pathway","Metabolite CE AN",1183,2306,3092,1932,2076,2252,1345,1498,1086,1622,1398,2182,2140.1666666666665,617.99884034411139,1521.8333333333333,369.58810406541335,6.1726207352188082E-2,null,null,0.71108169145705169]
[10.14,784.14700000000005,"C00016","FAD","Cofactors and Vitamins","Metabolite CE AN",59,64,80,60,78,62,65,66,62,77,60,72,67.166666666666671,9.3470137833784328,67,6.3874877690685246,0.97194347431046113,null,null,0.9975186104218362]
[10.32,558.06439999999998,"C00301","ADP-ribose","Purine metabolism","Metabolite CE AN",45,34,156,24,18,18,0,28,30,18,22,38,49.166666666666664,53.360722134044124,22.666666666666668,13.063945294843617,0.28513259376716366,null,null,0.46101694915254243]
[10.37,140.01300000000001,"C00346","Phosphoethanolamine","SphingoLipids","Metabolite CE AN",824,414,478,373,500,396,530,508,414,460,370,442,497.5,167.19060978416223,454,59.208107552935687,0.56918545377789842,null,null,0.91256281407035178]
[10.49,165.0395,"C05607","Phenyllactate","Phenylalanine Tyrosine metabolism","Metabolite CE AN",189,111,115,112,124,128,106,126,124,154,142,140,129.83333333333334,29.768551638712047,132,16.876018487783188,0.87983289930206876,null,null,1.0166880616174583]
[10.58,455.09629999999999,"C00061","FMN","Cofactors and Vitamins","Metabolite CE AN",16,18,29,17,36,23,0,25,24,28,21,22,23.166666666666668,7.935153852740771,20,10.099504938362077,0.55934655500487018,null,null,0.86330935251798557]
[10.67,151.02719999999999,"C07599","Oxypurinol","Lipid metabolism","Metabolite CE AN",916,1470,1353,1204,1378,1166,1766,2094,1755,1209,1540,1466,1247.8333333333333,198.03678109549949,1638.3333333333333,303.72268052726452,2.4815117933816147E-2,"*",null,1.3129424335514892]
[11.03,167.0187,"C00366","Urate","Purine metabolism","Metabolite CE AN",360,284,449,308,336,238,272,330,338,444,270,298,329.16666666666669,72.328187220935334,325.33333333333331,64.679723767705397,0.92482012873668618,null,null,0.98835443037974668]
[11.075593220338982,300.04985762711863,"C00357","N-acetylglucosamine 6-phosphate","Sugar metabolism","Metabolite CE AN",182,413,212,267,272,251,187,210,186,172,262,180,266.16666666666669,79.803299848230978,199.5,33.140609529699361,8.809141846273176E-2,null,null,0.74953036944270501]
[11.12,742.06769999999995,"C00006","NADP+","Nicotinate and Ncotinamide metabolism","Metabolite CE AN",270,310,367,264,397,328,436,276,348,481,320,433,322.66666666666669,52.716853725034412,382.33333333333331,79.43970459830949,0.15628988452557666,null,null,1.1849173553719008]
[11.19,103.0395,"C01089","(R)-3-Hydroxybutanoate","Butanoate metabolism","Metabolite CE AN",350,297,442,289,560,465,760,414,510,581,540,452,400.5,106.78717151418516,542.83333333333337,122.10883123945889,5.7136080277150239E-2,null,null,1.3553890969621307]
[11.24,322.04329999999999,"C00055","CMP","Pyrimidine metabolism","Metabolite CE AN",66,76,80,74,86,86,104,66,42,87,70,78,78,7.6941536246685382,74.5,20.91650066335189,0.71307295433114093,null,null,0.95512820512820518]
[11.24,606.07259999999997,"C00043","UDP-N-acetylglucosamine","Sugar metabolism","Metabolite CE AN",216,237,698,258,452,338,162,92,88,200,102,312,366.5,183.9605936063482,159.33333333333334,87.037156816308453,3.179992296246107E-2,"*",null,0.43474306502955889]
[11.28,289.03210000000001,"C05382","D-Sedoheptulose 7-phosphate","Pentose phosphate pathway","Metabolite CE AN",196,373,561,352,868,642,149,260,171,178,192,248,498.66666666666669,240.72695459101928,199.66666666666666,44.482206180299428,2.7989616785322701E-2,"*",null,0.40040106951871657]
[11.44,565.04629999999997,"C00029","UDP-glucose","Pyrimidine metabolism","Metabolite CE AN",144,82,76,108,262,128,126,94,76,180,78,142,133.33333333333334,68.207526466414734,116,40.987803063838392,0.60530584976648261,null,null,0.86999999999999988]
[11.67,259.0213,"C00085","D-Fructose 6-phosphate","Pentose phosphate pathway","Metabolite CE AN",206,319,444,338,270,285,292,286,249,177,228,288,310.33333333333331,79.82647848093184,253.33333333333334,45.279870435621419,0.15914318803744615,null,null,0.81632653061224503]
[11.79,403.55509999999998,"C00024","Acetyl-CoA","Citrate cycle (TCA cycle)","Metabolite CE AN",47,41,84,40,14,14,0,42,68,19,22,74,40,25.837956575549857,37.5,29.228410836034175,0.87839084536625167,null,null,0.9375]
[12.08,89.025599999999997,"C00186","L-Lactic acid","Glycolysis","Metabolite CE AN",126,202,300,198,130,165,144,130,184,109,117,206,186.83333333333334,64.138651893118777,148.33333333333334,38.681606309286963,0.23659762160657757,null,null,0.79393398751115074]
[12.11,362.0478,"C00144","GMP","Purine metabolism","Metabolite CE AN",354,218,552,316,475,377,371,109,144,662,216,498,382,117.99152511939153,333.33333333333331,217.48348596311095,0.64032600121549854,null,null,0.87260034904013961]
[12.16,229.01004736842106,"C00117","D-Ribose 5-phosphate","Pentose phosphate pathway","Metabolite CE AN",671,1010,1221,891,1274,1024,728,818,731,881,672,896,1015.1666666666666,220.60590805023014,787.66666666666663,91.123359610292567,4.1714282494512901E-2,"*",null,0.7758988671810868]
[12.25,426.02050000000003,"C00008","ADP","Purine metabolism","Metabolite CE AN",336,221,418,367,322,258,310,246,252,408,252,379,320.33333333333331,71.717966135876125,307.83333333333331,70.93776615221735,0.76770540692311051,null,null,0.96097814776274715]
[12.6,382.5514,"C00010","Coenzyme A","Cofactors and Vitamins","Metabolite CE AN",112,183,332,160,228,180,170,114,158,121,86,186,199.16666666666666,75.14896317758928,139.16666666666666,38.180710662148051,0.11183665985792647,null,null,0.69874476987447698]
[12.74,505.988,"C00002","ATP","Purine metabolism","Metabolite CE AN",68,49,68,72,57,56,60,40,44,36,40,53,61.666666666666664,8.9591666279105677,45.5,9.1596943180435897,1.1430774320524452E-2,"*",null,0.73783783783783785]
[12.84,347.03750000000002,"C00130","IMP","Purine metabolism","Metabolite CE AN",204,150,390,2412,202,224,118,52,181,329,142,360,597,892.91500155389929,197,122.09832103677756,0.32487511020172033,null,null,0.32998324958123953]
[13.02,442.01609999999999,"C00035","GDP","Purine metabolism","Metabolite CE AN",84,86,127,86,104,88,63,104,92,97,84,100,95.833333333333329,16.928280085899665,90,14.926486525636232,0.54087095533939245,null,null,0.93913043478260871]
[13.07,171.00739999999999,"C00093","Glycerol-3-phosphate","Glycolysis","Metabolite CE AN",2392,3700,3500,3372,3492,3363,3178,3140,2858,2770,2908,3177,3303.1666666666665,462.69230236374926,3005.1666666666665,181.09711943227222,0.1725513175090492,null,null,0.90978354104647052]
[13.94,426.01949999999999,"C00054","Adenosine 3',5'-bisphosphate","Purine metabolism","Metabolite CE AN",107,206,174,185,382,277,203,226,172,166,203,148,221.83333333333334,95.685770450295607,186.33333333333334,29.042497596912504,0.41841112576819089,null,null,0.83996994740796393]
[13.99,462.06689999999998,"C03794","N6-(1,2-Dicarboxyethyl)-AMP","Purine metabolism","Metabolite CE AN",89,58,226,35,124,108,0,16,38,93,38,131,106.66666666666667,66.872017067430122,52.666666666666664,49.62123201480054,0.1432687159640357,null,null,0.49374999999999997]
[14.21,174.0376,"C01042","N-Acetyl-L-aspartate","Amino acid metabolism","Metabolite CE AN",40,50,48,33,52,39,0,24,24,38,26,29,43.666666666666664,7.44759469001011,23.5,12.645157175772866,7.1689345686857366E-3,"**",null,0.53816793893129777]
[17.82,166.98859999999999,"C00074","Phosphoenolpyruvate","Glycolysis","Metabolite CE AN",18,57,44,48,44,44,0,34,30,23,64,38,42.5,13.019216566291536,31.5,20.839865642561133,0.29854900380064309,null,null,0.74117647058823533]
[4.5,203.21719999999999,"C00750","Spermine","Polyamine","Metabolite CE CA",542,833,592,734,1312,1487,7272,640,701,1314,749,890,916.66666666666663,391.84673874700883,1927.6666666666667,2629.3455205937971,0.3926000818474904,null,null,2.1029090909090913]
[4.59,146.166,"C00315","Spermidine","Polyamine","Metabolite CE CA",750,1148,1195,978,1357,1520,3838,778,1070,1257,900,1074,1158,272.38869286370903,1486.1666666666667,1163.7701519916495,0.52824204771721339,null,null,1.2833909038572251]
[4.87,112.0874,"C00388","Histamine","Histidine metabolism","Metabolite CE CA",2362,2005,906,2080,934,409,644,648,1070,467,632,708,1449.3333333333333,797.81443122236567,694.83333333333337,200.77690770272037,6.865090545145465E-2,null,null,0.47941582336706534]
[6.02,169.09780000000001,"C00534","Pyridoxamine","Cofactors and Vitamins","Metabolite CE CA",196,308,182,171,248,194,452,291,200,320,226,234,216.5,52.060541679855774,287.16666666666669,92.118221143629683,0.13290390673069039,null,null,1.3264049268668208]
[6.54,265.11009999999999,"C00378","Thiamine","Cofactors and Vitamins","Metabolite CE CA",392,709,902,570,642,917,879,804,606,672,768,633,688.66666666666663,201.16228937518756,727,106.97289376285939,0.68894328640707325,null,null,1.0556631171345596]
[6.8,104.10496176470588,"C00114","Choline","Glycine, Serin metabolism","Metabolite CE CA",62682,76607,62942,53815,70975,62506,167722,69720,61062,62700,83176,44482,64921.166666666664,7890.7355149356272,81477,44084.672288676476,0.40433945948646144,null,null,1.2550144149186064]
[6.85,133.09639999999999,"C00077","L-Ornithine","Urea Cycle","Metabolite CE CA",1337,1062,2132,1226,1659,1305,1880,1406,1190,1192,1156,1258,1453.5,385.55038581228263,1347,275.91520436539918,0.59423475497943612,null,null,0.9267285861713106]
[6.93,241.14240000000001,"C01262","Anserine","β-Alanine metabolism","Metabolite CE CA",32,14,0,2366,14,14,0,35,390,8,59,14,406.66666666666669,959.92721946336462,84.333333333333329,151.25695576292242,0.45177970861382422,null,null,0.20737704918032784]
[6.96,147.10340816326533,"C00047","L-Lysine","Amino acid","Metabolite CE CA",4318,3074,4528,3082,4923,3377,4582,3834,4044,3637,2624,3907,3883.6666666666665,804.8559291368025,3771.3333333333335,646.2630011587122,0.79521327158898003,null,null,0.97107544416788272]
[7.11,400.14609999999999,"C00019","S-Adenosyl-L-Methionine","Urea Cycle","Metabolite CE CA",36,38,75,40,52,35,0,26,37,28,30,45,46,15.479018056711478,27.666666666666668,15.24029745991418,6.5577921057381916E-2,null,null,0.60144927536231885]
[7.12,112.04640000000001,"C00380","Cytosine","Pyrimidine metabolism","Metabolite CE CA",39,66,66,54,59,60,144,68,56,58,76,56,57.333333333333336,10.073066398404531,76.333333333333329,34.092032304728725,0.2394087787128546,null,null,1.3313953488372092]
[7.17,114.0681,"C00791","Creatinine","Arginin, Proline metabolism","Metabolite CE CA",2174,2924,3098,5674,2468,2629,3672,2398,2726,2679,2194,2746,3161.1666666666665,1273.7934552613572,2735.8333333333335,507.45498979384092,0.46488947050531393,null,null,0.86545051932303485]
[7.18,156.0778,"C00135","L-Histidine","Amino acid","Metabolite CE CA",4022,5278,8611,4575,8054,6058,7085,5802,5438,5910,4807,5616,6099.666666666667,1867.8540271302436,5776.333333333333,749.78894808250448,0.70221142521640734,null,null,0.94699163888737081]
[7.19,175.1097,"C00062","L-Arginine","Amino acid","Metabolite CE CA",242,385,432,330,494,460,532,262,272,358,342,319,390.5,92.744272060327262,347.5,97.983161818753331,0.45306527486177395,null,null,0.88988476312419973]
[7.25,90.058000000000007,"C00099","beta-Alanine","β-Alanine metabolism","Metabolite CE CA",204,303,382,272,265,334,693,392,334,412,440,340,293.33333333333331,61.395982496142715,435.16666666666669,132.81026566748014,3.8979100476808512E-2,"*",null,1.4835227272727274]
[7.38,123.0697,"C00153","Nicotinamide","Nicotinate and Ncotinamide metabolism","Metabolite CE CA",12045,15066,18889,14834,17414,15390,21016,18104,12596,11404,13617,12346,15606.333333333334,2352.1017551684813,14847.166666666666,3830.2417895828262,0.68781434694132204,null,null,0.95135521903500708]
[7.42,189.12629999999999,"C01924","Homoarginine","Arginin, Proline metabolism","Metabolite CE CA",26,32,32,28,57,53,64,40,30,20,40,30,38,13.431306712304652,37.333333333333336,15.055453054181624,0.93708836921271299,null,null,0.98245614035087725]
[7.56,170.09630000000001,"C01152","1-Methylhistidine","Histidine metabolism","Metabolite CE CA",262,414,514,440,392,438,388,382,338,442,319,602,410,83.359462570244531,411.83333333333331,102.5678637130884,0.9735642198970984,null,null,1.0044715447154471]
[7.56,203.1414,"C03626","N-N-dimethylarginine","Arginin, Proline metabolism","Metabolite CE CA",276,215,380,255,430,418,164,259,214,218,221,262,329,91.655878153013177,223,35.799441336423115,2.4789231399351287E-2,"*",null,0.67781155015197569]
[7.63,106.0879,"C06772","Diethanolamine","Glycerophospholipid metabolism","Metabolite CE CA",272,434,375,380,407,358,1436,438,266,342,450,320,371,55.375084650048166,542,443.61605020558039,0.39057520353519676,null,null,1.4609164420485174]
[7.73,104.08745542168674,"C00334","4-Aminobutanoic acid","Urea Cycle","Metabolite CE CA",284,538,1360,510,556,622,464,293,274,544,454,553,645,368.69228361873809,430.33333333333331,120.79845473625336,0.22364924109478651,null,null,0.66718346253229976]
[7.79,141.0822,"C05828","Methylimidazoleacetic acid","Histidine metabolism","Metabolite CE CA",788,938,1342,834,1914,1438,624,478,266,565,789,321,1209,437.82690643677898,507.16666666666669,194.98452930083107,4.9546141434775714E-3,"**",null,0.41949269368624209]
[7.97,146.10659999999999,"C01035","4-Guanidinobutanoate","Urea Cycle","Metabolite CE CA",1869,2720,4538,2181,2752,3260,4444,2242,2286,2374,2182,2909,2886.6666666666665,942.95316249889481,2739.5,875.39882339422866,0.78505683949683003,null,null,0.94901847575057741]
[8.08,139.05690000000001,"C00785","Urocanic acid","Histidine metabolism","Metabolite CE CA",38,80,0,36,39,0,60,55,54,34,38,55,32.166666666666664,29.842363623993769,49.333333333333336,10.614455552060445,0.23078200268251514,null,null,1.5336787564766841]
[8.1815384615384623,76.050123076923072,"C00037","Glycine","Amino acid","Metabolite CE CA",64,84,132,97,147,100,96,98,104,138,84,109,104,30.652895458667523,104.83333333333333,18.313019048389201,0.95553836481979104,null,null,1.0080128205128205]
[8.2100000000000009,162.1138,"C00318","L-Carnitine","Lysine metabolism","Metabolite CE CA",67826,95654,111066,82554,84998,92204,119294,68674,73690,69348,75076,73987,89050.333333333328,14473.007174276781,80011.5,19421.529638522297,0.38217623314296445,null,null,0.89849747895385013]
[8.41,168.06639999999999,"C00250","Pyridoxal","Cofactors and Vitamins","Metabolite CE CA",214,347,390,180,402,320,780,480,265,298,403,272,308.83333333333331,92.131246961422789,416.33333333333331,197.08948898068277,0.2539824075449047,null,null,1.3480841878035619]
[8.48,385.12759999999997,"C00021","S-Adenosyl-L-homocysteine","Cystein metabolism","Metabolite CE CA",302,425,570,264,429,382,432,335,332,372,348,382,395.33333333333331,108.31374181823224,366.83333333333331,37.642617691476595,0.56431363165630311,null,null,0.92790893760539628]
[8.49,132.07730000000001,"C00300","Creatine","Urea Cycle","Metabolite CE CA",16567,19871,20002,58318,17709,15880,25403,17210,21413,14881,18008,16082,24724.5,16543.088813761475,18832.833333333332,3906.9773184223441,0.4309303117323855,null,null,0.76170734831172848]
[8.73,90.057400000000001,"C00041","L-Alanine","Amino acid","Metabolite CE CA",630,1166,1606,1475,1104,1090,897,842,1208,1034,876,1269,1178.5,342.07002207150509,1021,181.70525584033061,0.34272945461497761,null,null,0.86635553669919385]
[8.77,204.12360000000001,"C04083","6-gamma-gamma-dimethylallyl-amino-purine","Plant metabolites","Metabolite CE CA",6870,9552,10656,14186,8578,9442,9689,12038,8516,5796,8682,8430,9880.6666666666661,2457.581792467277,8858.5,2025.3358980672811,0.44996961573776884,null,null,0.89654881586937463]
[8.7799999999999994,161.09,"C00993","D-Alanyl-D-alanine","Dipeptide","Metabolite CE CA",23,87,98,60,46,55,106,38,46,42,93,62,61.5,27.384302072537835,64.5,28.605943438383569,0.85649574666260231,null,null,1.0487804878048781]
[9.15,90.059700000000007,"C00213","Sarcosine","Urea Cycle","Metabolite CE CA",18,19,110,20,38,35,72,22,14,22,22,22,40,35.366650958212034,29,21.307275752662516,0.52874454535452897,null,null,0.72499999999999998]
[9.26,244.09119999999999,"C00475","Cytidine","Pyrimidine metabolism","Metabolite CE CA",416,694,525,478,510,470,961,956,768,582,708,519,515.5,95.246522246221673,749,184.72899068635655,2.0410562104307091E-2,"*",null,1.4529582929194957]
[9.3307692307692314,242.13329615384615,"C00272","5,6,7.8-Tetrahydrobiopterin","Cofactors and Vitamins","Metabolite CE CA",30,44,44,34,48,66,0,32,26,20,23,36,44.333333333333336,12.612163441165309,22.833333333333332,12.624051119457125,1.4503806477959801E-2,"*",null,0.51503759398496241]
[9.43,268.1037,"C00212","Adenosine","Purine metabolism","Metabolite CE CA",1852,1660,2400,952,3460,1558,1590,2651,1760,4330,3233,2798,1980.3333333333333,862.60666973230991,2727,1006.4114466757619,0.19771040257204428,null,null,1.3770409022050161]
[9.44,209.1,"C00328","L-Kynurenine","Tryptophan metabolism","Metabolite CE CA",58,182,92,94,63,80,184,100,96,62,106,82,94.833333333333329,45.159347500452959,105,41.775590959314989,0.69414409298653923,null,null,1.1072056239015817]
[9.4700000000000006,189.12110000000001,"C12989","N2-Acetyl-L-lysine","Lysine metabolism","Metabolite CE CA",174,298,448,240,350,304,320,194,226,236,218,266,302.33333333333331,93.666785290553634,243.33333333333334,44.320048134751197,0.19332070942807233,null,null,0.80485115766262416]
[9.5115625000000001,282.12106875000001,"C02494","1-Methyladenosine","Nucleotide metabolism","Metabolite CE CA",48,46,48,46,55,48,78,54,47,56,62,55,48.5,3.3316662497915361,58.666666666666664,10.614455552060427,6.6665503289289316E-2,null,null,1.2096219931271477]
[9.5399999999999991,118.08669999999999,"C00183","L-Valine","Amino acid","Metabolite CE CA",1658,1706,2456,1686,2830,2260,2284,2332,2174,2398,1673,2498,2099.3333333333335,491.37141417329764,2226.5,292.12309049440097,0.59776109867956184,null,null,1.0605747856462369]
[9.61,106.0517,"C00065","L-Serine","Amino acid","Metabolite CE CA",528,580,1076,702,973,728,746,574,549,525,536,470,764.5,217.12461859494422,566.66666666666663,94.389971218698079,6.7869798486356089E-2,null,null,0.74122520165685624]
[9.6300000000000008,176.0729,"C03139","Guanidinosuccinic acid","Arginin, Proline metabolism","Metabolite CE CA",78,110,182,102,118,139,72,104,107,106,96,184,121.5,35.730938974507794,111.5,37.851023764225985,0.64803269890075954,null,null,0.91769547325102885]
[9.7100000000000009,217.11911219512194,"M00001","N-alpha-Acetyl-L-arginine","Arginin, Proline metabolism","Metabolite CE CA",62,83,150,82,82,80,154,56,42,55,58,54,89.833333333333329,30.53140459701563,69.833333333333329,41.619306417414819,0.36494306264186638,null,null,0.77736549165120594]
[9.9,120.06570000000001,"C00188","L-Threonine","Amino acid","Metabolite CE CA",614,628,1075,695,1068,757,954,796,778,915,590,674,806.16666666666663,211.78991162627813,784.5,138.54638212526518,0.83810890490336387,null,null,0.97312383708910488]
[9.91,138.05629999999999,"C01004","Trigonelline","Cofactors and Vitamins","Metabolite CE CA",950,1121,7358,794,1324,4643,1440,665,510,1096,629,818,2698.3333333333335,2703.8546312009207,859.66666666666663,348.63887715896891,0.15755671174779079,null,null,0.31859172328597896]
[9.9700000000000006,132.10220000000001,"C00123","L-Leucine","Amino acid","Metabolite CE CA",5258,5484,8117,5344,8464,7163,7623,7154,6830,7448,5106,7704,6638.333333333333,1463.4133615170626,6977.5,971.72665909709406,0.6464122213363247,null,null,1.0510921416018078]
[9.9700000000000006,133.0760498922414,"C00152","L-Asparagine","Amino acid","Metabolite CE CA",558,660,868,580,902,793,758,710,668,708,568,785,726.83333333333337,148.0005630619921,699.5,76.419238415467078,0.69617000106682969,null,null,0.96239394634258191]
[10.15,247.1395,"C04137","D-Octopine","Arginin, Proline metabolism","Metabolite CE CA",32,66,84,46,60,56,0,12,38,42,46,62,57.333333333333336,17.69369002403587,33.333333333333336,23.001449229704345,7.0296200391596633E-2,null,null,0.58139534883720934]
[10.19,277.14150000000001,"C00449","N6-(L-1,3-Dicarboxypropyl)-L-lysine","Lysine metabolism","Metabolite CE CA",58,103,254,100,195,82,112,84,102,80,81,76,132,75.754867830390936,89.166666666666671,14.400231479620984,0.22804713039030813,null,null,0.6755050505050505]
[10.199999999999999,150.05609999999999,"C00073","L-Methionine","Amino acid","Metabolite CE CA",566,759,976,648,943,856,888,759,675,724,642,740,791.33333333333337,163.49393464794557,738,85.236142568748377,0.4947956163055145,null,null,0.93260320134793595]
[10.210000000000001,116.0707,"C00148","L-Proline","Amino acid","Metabolite CE CA",3438,3899,6296,3960,5093,4585,6219,4578,4642,4864,4044,5380,4545.166666666667,1034.6878595338139,4954.5,755.85970920535249,0.45205764842234863,null,null,1.0900590370723477]
[10.24,147.0762,"C00064","L-Glutamine","Amino acid","Metabolite CE CA",14342,20358,12431,21268,20717,17006,28272,22879,22713,16470,16020,19854,17687,3699.1086493910934,21034.666666666668,4603.7897287633259,0.19513956298175217,null,null,1.1892727238461394]
[10.24,148.06479999999999,"C00025","L-Glutamate","Amino acid","Metabolite CE CA",5871,10343,10898,9148,8895,9030,10626,9528,8508,8076,8170,9288,9030.8333333333339,1744.9824545440745,9032.6666666666661,978.15554318659701,0.99825300301379483,null,null,1.0002030082126048]
[10.28,104.07769999999999,"C01026","N,N-Dimethylglycine","Glycine, Serin metabolism","Metabolite CE CA",666,952,2682,751,1224,1490,1565,970,1150,1337,908,754,1294.1666666666667,745.12506780182002,1114,299.06454152908196,0.59461978782911662,null,null,0.86078557630392782]
[10.29,205.09460000000001,"C00078","L-Tryptophan","Amino acid","Metabolite CE CA",405,412,456,366,482,386,828,388,515,484,298,527,417.83333333333331,43.52662020725554,506.66666666666669,179.93072741104186,0.28750168903967488,null,null,1.2126047068209016]
[10.36,166.0873,"C00079","L-Phenylalanine","Amino acid","Metabolite CE CA",1524,1908,2383,1772,2566,2234,2502,2026,2048,1875,1598,2091,2064.5,395.94532450832151,2023.3333333333333,295.71179663088589,0.84240875743339971,null,null,0.98005974005005247]
[10.37,176.1216,"C00327","L-Citrulline","Urea Cycle","Metabolite CE CA",1694,2377,2208,1908,2456,2062,6249,2449,1710,1956,2440,1744,2117.5,288.5950450025087,2758,1740.8842580711678,0.41266953498555514,null,null,1.3024793388429752]
[10.39,137.04589999999999,"C00262","Hypoxanthine","Purine metabolism","Metabolite CE CA",5631,9068,6530,6936,8866,7436,16624,10237,7599,6179,8704,5688,7411.166666666667,1344.1342814862892,9171.8333333333339,4011.3884587093612,0.34666770928303059,null,null,1.2375694335124925]
[10.47,118.08750000000001,"C00719","Betaine","Glycine, Serin metabolism","Metabolite CE CA",84698,130042,158848,82085,155144,129506,290036,144768,107258,101401,126376,94944,123387.16666666667,33317.907139654882,144130.5,73768.213771922121,0.54424821628366016,null,null,1.1681158089104351]
[10.48,182.08449999999999,"C00082","L-Tyrosine","Amino acid","Metabolite CE CA",1148,1454,1418,1183,1612,1374,2716,1499,1230,1343,1142,1386,1364.8333333333333,174.37478793296577,1552.6666666666667,583.21922693500665,0.47889230108525838,null,null,1.1376236414702652]
[10.55,122.0266,"C00097","L-Cysteine","Amino acid","Metabolite CE CA",57,62,98,54,67,54,72,14,64,52,32,68,65.333333333333329,16.776968339562021,50.333333333333336,22.923059714328424,0.2249355983306984,null,null,0.77040816326530626]
[10.65,189.11680000000001,"C02727","N6-Acetyl-L-lysine","Lysine metabolism","Metabolite CE CA",21,31,22,24,29,22,0,18,14,14,20,22,24.833333333333332,4.1673332800085348,14.666666666666666,7.8655366420013992,1.8869040542022233E-2,"*",null,0.59060402684563762]
[10.73,134.04509999999999,"C00049","L-Aspartate","Amino acid","Metabolite CE CA",1411,1702,1882,1576,1930,1704,1919,1332,1212,1323,1428,1406,1700.8333333333333,192.32099902680002,1436.6666666666667,248.19803920794135,6.6297124040270619E-2,null,null,0.84468397844194032]
[10.91,166.0625,"C02989","L-Methionine S-oxide","Cystein metabolism","Metabolite CE CA",30,54,93,55,62,79,0,72,24,51,68,46,62.166666666666664,21.848722311994962,43.5,27.376997644007641,0.22099119890706101,null,null,0.69973190348525471]
[11.12,613.15719999999999,"C00127","Oxidized glutathione","Glutathione metabolism","Metabolite CE CA",6456,5746,7666,4264,7056,6957,5070,6714,6304,7775,5783,7999,6357.5,1210.4421919282227,6607.5,1135.472544802383,0.71983876637617561,null,null,1.0393236335037357]
[11.15,132.06970000000001,"C01015","L-Hydroxyproline","Arginin, Proline metabolism","Metabolite CE CA",353,365,658,458,384,384,376,352,306,408,316,365,433.66666666666669,115.82170205391843,353.83333333333331,38.138781662065014,0.15932471557307101,null,null,0.81591083781706375]
[11.71,290.13170000000002,"M00035","Ophthalmic Acid","Glutathione metabolism","Metabolite CE CA",156,164,192,226,159,163,152,117,213,252,115,180,176.66666666666666,27.40559553570527,171.5,54.438038171851858,0.83967004172222293,null,null,0.97075471698113214]
[11.72,308.09109999999998,"C00051","Glutathione","Glutathione metabolism","Metabolite CE CA",8834,26360,52490,22068,29878,23878,16888,7423,15752,10412,6828,22348,27251.333333333332,14297.752532012386,13275.166666666666,6091.2249807954613,5.2191221206098731E-2,null,null,0.48713824400029354]
[12.01,380.11169999999998,"C03451","(R)-S-Lactoylglutathione","Pyruvate metabolism","Metabolite CE CA",44,88,146,68,104,114,73,96,55,77,72,74,94,35.82178108358098,74.5,13.095800853708795,0.25484130299550856,null,null,0.79255319148936165]
[13.76,231.10149999999999,"C05570","Ergothioneine","Histidine metabolism","Metabolite CE CA",140,258,600,263,553,437,460,228,382,403,315,559,375.16666666666669,183.09059688216288,391.16666666666669,114.50312950599505,0.85961029908142172,null,null,1.0426477121279432]
[14.11,110.0305,"C00519","Hypotaurine","Taurine and hypotaurine metabolism ","Metabolite CE CA",126,172,635,132,243,142,112,139,80,128,108,120,241.66666666666666,197.43623443194681,114.5,20.255863348670182,0.17614023293095302,null,null,0.47379310344827585]
[15.04,186.0847,"C01161","3,4-Dihydroxyphenylacetate","Phenylalanine Tyrosine metabolism","Metabolite CE CA",312,475,732,204,474,605,390,526,514,432,314,319,467,191.08950782290481,415.83333333333331,92.139929816918539,0.56777337700532748,null,null,0.89043540328336901]
[15.05,489.10169999999999,"C00307","Cytidine 5'-diphosphocholine","Glycerophospholipid metabolism","Metabolite CE CA",378,321,633,313,464,462,408,259,248,350,224,372,428.5,119.70756032932924,310.16666666666669,76.011621918405837,6.8178291899348722E-2,null,null,0.72384286269933884]
[15.12,61.039299999999997,"C00086","Urea","Urea Cycle","Metabolite CE CA",36,56,82,35,50,52,547,40,36,38,25,44,51.833333333333336,17.116269063866309,121.66666666666667,208.46742351424277,0.45020486618856453,null,null,2.347266881028939]
[15.25,200.10560000000001,"C05582","Homovanillate","Phenylalanine Tyrosine metabolism","Metabolite CE CA",204,530,886,360,398,454,330,258,412,230,226,480,472,230.18601173833304,322.66666666666669,104.78676761245512,0.17869820790327509,null,null,0.68361581920903958]
[15.31,245.08809491525423,"C00299","Uridine","Pyrimidine metabolism","Metabolite CE CA",766,1526,1149,840,1278,1094,1866,1064,903,741,814,714,1108.8333333333333,280.81482629424431,1017,434.78730432246982,0.67307956473866648,null,null,0.91718021944987227]
[15.310175438596492,133.07662894736842,"C00903","Cinnamic aldehyde","Phenylpropanoid","Metabolite CE CA",321,590,702,366,485,540,518,416,300,395,374,487,500.66666666666669,141.93190855711993,415,78.866976612521412,0.22530361357018905,null,null,0.82889480692410111]
[15.325135135135135,220.12899459459459,"C00864","(R)-Pantothenate","Cofactors and Vitamins","Metabolite CE CA",1158,804,776,860,644,714,1161,905,820,836,891,736,826,178.90332584946543,891.5,145.04171813654168,0.5019072282967314,null,null,1.0792978208232447]
[15.34,169.04499999999999,"C00544","Homogentisate","Phenylalanine Tyrosine metabolism","Metabolite CE CA",482,368,381,316,422,278,382,410,412,545,357,324,374.5,72.981504506278853,405,76.246967152798945,0.49521158892948236,null,null,1.081441922563418]
[15.38,113.0369,"C00106","Uracil","Pyrimidine metabolism","Metabolite CE CA",698,1482,1199,862,1293,1108,1427,846,834,630,772,692,1107,286.702633402625,866.83333333333337,286.68757675676602,0.17742830636768464,null,null,0.78304727491719361]
[15.5,148.06809999999999,"C00979","O-Acetyl-L-serine","Glycine, Serin metabolism","Metabolite CE CA",36,74,79,45,60,53,64,34,30,53,38,43,57.833333333333336,16.606223732886004,43.666666666666664,12.754084313139332,0.12846074161698048,null,null,0.75504322766570597]
[0.65,665.20180000000005,"C02013","Cellotetraose","Sugar","Metabolite LC Neg",58,28,386,48,13,21,65,16,18,11,13,19,92.333333333333329,144.84842652464911,23.666666666666668,20.471117865584837,0.30035708044376325,null,null,0.25631768953068595]
[0.66,503.14359999999999,"C01835","Maltotriose","Sugar","Metabolite LC Neg",67,140,440,67,38,57,68,32,27,28,25,42,134.83333333333334,153.48669866365185,37,16.346253393362041,0.17995565069851968,null,null,0.27441285537700866]
[0.67,341.0933,"C00243","Lactose","Sugar","Metabolite LC Neg",93,352,443,121,80,78,163,76,80,34,66,78,194.5,160.58985023967111,82.833333333333329,42.831841737971843,0.15344841155900976,null,null,0.42587832047986285]
[0.68,119.0351,"C02045","L-Erythrulose","Sugar","Metabolite LC Neg",1259,4439,6261,2822,3265,3361,9482,2679,2727,2094,2578,3231,3567.8333333333335,1675.3235408919275,3798.5,2807.8661470946226,0.86625263125012597,null,null,1.0646517494277572]
[0.69,149.04519999999999,"C00121","D-Ribose","Sugar","Metabolite LC Neg",218,608,1162,267,439,646,1008,282,346,201,298,430,556.66666666666663,343.36317022456944,427.5,294.23511007356007,0.50007024656353427,null,null,0.76796407185628746]
[0.69,173.09280000000001,"C00437","N-Acetylornithine","Arginin, Proline metabolism","Metabolite LC Neg",61,98,139,96,142,108,286,82,68,92,107,73,107.33333333333333,30.223611079198754,118,83.476942924378818,0.77800285389182955,null,null,1.0993788819875776]
[0.69,256.09500000000003,"M00260","5-Methylcytidine","Unclassified","Metabolite LC Neg",38,32,26,54,38,36,151,37,38,44,41,42,37.333333333333336,9.352361555600103,58.833333333333336,45.225730139674546,0.30195704018669611,null,null,1.5758928571428572]
[0.69,402.99759999999998,"C00015","UDP (Uridine 5'-diphosphate)","Pyrimidine metabolism","Metabolite LC Neg",2500,4307,892,3188,1160,1558,26279,4460,2120,1758,5905,1276,2267.5,1317.7923584540927,6966.333333333333,9626.8458524413218,0.28761681201469691,null,null,3.0722528482175671]
[0.72,102.056,"C01205","β-Aminoisobutyric acid","Unclassified","Metabolite LC Neg",296,740,754,562,731,650,2314,750,456,592,714,534,622.16666666666663,175.43593322539911,893.33333333333337,704.58233490960208,0.39786994066480352,null,null,1.4358424859362444]
[0.72,179.05549999999999,"C00962","β-D-Galactose","Sugar","Metabolite LC Neg",4878,15801,27229,9945,11906,13142,23222,8049,9478,6158,7470,11390,13816.833333333334,7520.9527432810428,10961.166666666666,6268.1908846705264,0.49128583781853719,null,null,0.79331974282578011]
[0.72,181.0677,"C00794","D-Sorbitol","Sugar","Metabolite LC Neg",165,502,696,302,273,377,1324,374,362,238,344,463,385.83333333333331,188.84005577913462,517.5,401.59868027671604,0.48404674910703027,null,null,1.3412526997840173]
[0.72535476046088543,209.01664962603598,"C00818","D-Glucarate","Ascorbate and Aldarate metabolism","Metabolite LC Neg",1688,1538,886,1278,1574,1184,8430,2030,1081,1487,2330,888,1358,299.13742661191696,2707.6666666666665,2856.3690704575743,0.30068602280179962,null,null,1.9938635247913596]
[0.73,87.022300000000001,"C00022","Pyruvate","Glycolysis","Metabolite LC Neg",1670,1191,1438,847,942,965,3237,950,836,721,763,828,1175.5,322.62098505831887,1222.5,989.96176693850157,0.91553411029375265,null,null,1.0399829859634198]
[0.73,247.04759999999999,"C00647","Pyridoxamine-phosphate","Cofactors and Vitamins","Metabolite LC Neg",138,316,325,234,269,240,954,448,322,207,496,221,253.66666666666666,68.060757170829817,441.33333333333331,276.969071678891,0.16164090314360177,null,null,1.7398160315374507]
[0.74,89.025300000000001,"C00577","D-Glyceraldehyde","Sugar metabolism","Metabolite LC Neg",2932,10396,19106,6192,7078,7940,12482,4484,5962,3545,4143,7850,8940.6666666666661,5542.2396435616765,6411,3352.625001398158,0.36131409445609763,null,null,0.71706062187756325]
[0.74,171.0076,"C02979","Glycerol 2-phosphate","Unclassified","Metabolite LC Neg",7686,19856,14405,13723,17654,14086,81546,17286,10154,10988,17406,10365,14568.333333333334,4142.9743260931091,24624.166666666668,28088.07693251118,0.42373488334071951,null,null,1.6902528314838119]
[0.74,173.00161,"C03248","Acetylenedicarboxylate","Pyruvate metabolism","Metabolite LC Neg",2818,2552,1482,2042,2368,2020,6170,2650,1493,2224,3078,1422,2213.6666666666665,470.28062544258233,2839.5,1754.2081689468898,0.43253108331717871,null,null,1.2827134467700649]
[0.74,183.98840000000001,"C01005","3-Phosphoserine","Glycine, Serin metabolism","Metabolite LC Neg",160,208,201,219,177,156,393,160,144,148,173,152,186.83333333333334,26.271023327359529,195,97.541785917626086,0.84987157001236135,null,null,1.0437109723461195]
[0.74,193.02090000000001,"C00333","D-Galacturonate","Sugar","Metabolite LC Neg",356,624,618,392,605,482,1522,422,258,348,421,293,512.83333333333337,120.05068374093773,544,483.67551106087643,0.88360527922808074,null,null,1.0607734806629834]
[0.74,275.01510000000002,"C00345","6-Phospho-D-gluconate","Pentose phosphate pathway","Metabolite LC Neg",211,256,109,208,170,106,1815,223,172,103,345,140,176.66666666666666,60.118771333641448,466.33333333333331,666.02872810913084,0.33648933194116731,null,null,2.6396226415094342]
[0.75,101.0249,"C00109","2-Oxobutanoate","Glycine, Serin metabolism","Metabolite LC Neg",1153,2704,4190,1733,2236,2210,5595,1902,1716,1698,1578,2226,2371,1034.829841084997,2452.5,1556.027731115355,0.91703724082768212,null,null,1.0343736819907212]
[0.75,116.0716,"C15987","4-Methylaminobutyrate","Nicotinate and Ncotinamide metabolism","Metabolite LC Neg",277,390,440,316,689,450,1108,497,346,448,368,395,427,145.28041850159988,527,289.88549463538186,0.46741381473496846,null,null,1.234192037470726]
[0.75,124.0078,"C03557","Ciliatine","Phosphonate and phosphinate metabolism","Metabolite LC Neg",6439,5332,7075,9864,5800,4326,15766,5090,4778,4166,4542,4440,6472.666666666667,1909.2856954019921,6463.666666666667,4567.9128567286252,0.99653474773843687,null,null,0.99860953754248638]
[0.75,131.0369,"M00236","Gly-Gly","Dipeptide","Metabolite LC Neg",580,1041,1994,720,1170,1133,1616,531,711,795,611,818,1106.3333333333333,494.62416708715983,847,392.16170134269868,0.33797539494712325,null,null,0.76559204579692686]
[0.75,132.03030000000001,"M00296","Iminodiacetate (IDA)","Amino acid metabolism","Metabolite LC Neg",1696,3172,2866,2569,3720,2872,10552,2646,1676,2136,2938,1782,2815.8333333333335,673.05227632529943,3621.6666666666665,3430.0449948457917,0.59499732618287149,null,null,1.2861793430008877]
[0.77,169.00630000000001,"C00111","Glycerone phosphate","Glycolysis","Metabolite LC Neg",55,170,186,110,156,144,779,164,121,141,129,92,136.83333333333334,47.650463446504546,237.66666666666666,266.25226133624983,0.40065448724399244,null,null,1.7369062119366625]
[0.77,323.0249,"C00105","UMP","Pyrimidine metabolism","Metabolite LC Neg",1280,962,2922,1178,2288,1199,8192,508,396,2374,742,1810,1638.1666666666667,782.3831329129398,2337,2973.7810948353276,0.59894102292505602,null,null,1.4265947705768642]
[0.78,96.969700000000003,"C00009","Phosphate","Phosphonate and phosphinate metabolism","Metabolite LC Neg",13234,24454,21540,20267,25564,20234,120148,26118,16379,18954,24804,15765,20882.166666666668,4345.1882544564969,37028,40945.21833376884,0.37999247138507464,null,null,1.77318764815273]
[0.79,134.02000000000001,"C00155","L-Homocysteine","Cystein metabolism","Metabolite LC Neg",1028,2580,2302,1950,1876,1678,5514,2064,1754,1802,2142,1794,1902.3333333333333,536.04390367456506,2511.6666666666665,1479.4455267655742,0.37786633123453384,null,null,1.3203083932013318]
[0.79,322.05239999999998,"M00023","5'-CMP","Pyrimidine metabolism","Metabolite LC Neg",116,184,138,120,160,142,1423,152,82,130,166,125,143.33333333333334,25.508168626278636,346.33333333333331,528.23429145282364,0.3900726267186036,null,null,2.4162790697674414]
[0.8,105.02719999999999,"C00258","D-Glycerate","Glycine, Serin metabolism","Metabolite LC Neg",98,274,182,154,164,137,730,176,124,126,201,133,168.16666666666666,59.168967091429515,248.33333333333334,237.99215673350804,0.45582034119439896,null,null,1.4767096134786919]
[0.81,155.0034,"C00295","Orotate","Pyrimidine metabolism","Metabolite LC Neg",78,164,205,107,126,128,689,131,88,174,150,93,134.66666666666666,44.504681401698242,220.83333333333334,231.70966027912314,0.4093394030252086,null,null,1.6398514851485151]
[0.81,176.9331,"C00013","Pyrophosphate","Phosphonate and phosphinate metabolism","Metabolite LC Neg",456,888,532,614,938,579,8106,1218,532,670,1053,404,667.83333333333337,197.77605180270612,1997.1666666666667,3008.7426222039444,0.32909797412751174,null,null,2.9905165959570752]
[0.83,175.02510000000001,"C02670","D-Glucuronolactone","Ascorbate and Aldarate metabolism","Metabolite LC Neg",163350,68410,58620,50224,53984,57758,234102,67063,53066,38490,39936,42375,75391,43518.609145973402,79172,76655.024683317402,0.91839847871295999,null,null,1.0501518748922285]
[0.83,177.0343,"C01040","L-Gulono-1,4-lactone","Ascorbate and Aldarate metabolism","Metabolite LC Neg",1899,1142,1216,831,998,1007,3366,1018,758,672,744,712,1182.1666666666667,375.37363608365814,1211.6666666666667,1062.4585952716777,0.95087749632943508,null,null,1.0249541801776398]
[0.84,117.0192,"C02170","Methylmalonate","Pyrimidine metabolism","Metabolite LC Neg",2620,4126,4739,1400,1836,1732,13238,663,3658,1538,1310,915,2742.1666666666665,1382.7688768072078,3553.6666666666665,4862.358796578741,0.70819776774095744,null,null,1.2959338722421443]
[0.84,118.0467,"M00056","4-Amino-3-Hydroxybutyric acid","Unclassified","Metabolite LC Neg",658,780,1481,677,1486,920,2856,1016,752,948,727,650,1000.3333333333334,385.65511362701596,1158.1666666666667,843.34202235312966,0.68555663631241848,null,null,1.1577807397534157]
[0.85,151.02590000000001,"C00385","Xanthine","Purine metabolism","Metabolite LC Neg",15727,30680,23127,23900,25778,23909,67674,47772,34970,24264,40592,25590,23853.5,4834.8288387491029,40143.666666666664,16168.188391612302,5.6741550938560648E-2,null,null,1.6829256363496621]
[0.87,147.0333,"C02612","Citramalic acid","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",1550,1995,1783,1562,2355,1878,8920,2166,972,1622,2556,1034,1853.8333333333333,301.38972554927352,2878.3333333333335,3024.1395249999077,0.44585483855646535,null,null,1.552638676616021]
[0.89,138.03139999999999,"C01020","6-Hydroxynicotinate","Nicotinate and Ncotinamide metabolism","Metabolite LC Neg",40,112,152,76,86,170,212,165,114,224,166,89,106,48.793442182326103,161.66666666666666,52.917545924453719,8.7432424308900636E-2,null,null,1.5251572327044025]
[0.93,130.0865,"C00407","L-Isoleucine","Amino acid","Metabolite LC Neg",6674,8132,10088,7314,11457,9788,18472,10002,7757,9186,7578,8642,8908.8333333333339,1832.9192471755712,10272.833333333334,4116.6018227011791,0.47547683886104974,null,null,1.1531064673638522]
[0.94,124.9969,"C05123","Isethionate","Taurine and hypotaurine metabolism ","Metabolite LC Neg",186,1782,600,929,916,1283,3912,762,101,331,724,864,949.33333333333337,549.70962031482281,1115.6666666666667,1400.4677313907189,0.79204429353512507,null,null,1.1752106741573034]
[0.94,135.0307,"C01620","Threonate","Ascorbate and Aldarate metabolism","Metabolite LC Neg",6032,10263,7440,7973,11864,9642,27820,12487,8174,7780,12678,6316,8869,2116.8002267573574,12542.5,7924.1144300167698,0.31670489765083171,null,null,1.4141955124591272]
[1,115.0376,"C00141","3-methyl-2-oxobutyric acid","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",154,250,222,195,246,236,1029,240,126,184,220,132,217.16666666666666,36.793568278527466,321.83333333333331,349.43864506758075,0.49765592665285774,null,null,1.4819646968534153]
[1.0900000000000001,129.02109999999999,"C00490","Itaconate","C5-Branched dibasic acid","Metabolite LC Neg",112,64,0,69,56,37,656,0,0,87,113,0,56.333333333333336,37.054914204011681,142.66666666666666,256.34013861794386,0.44993857777639523,null,null,2.5325443786982245]
[1.1011111111111112,328.05875555555554,"C00575","3',5'-Cyclic AMP","Purine metabolism","Metabolite LC Neg",78,87,100,88,65,90,78,72,56,52,35,66,84.666666666666671,11.927559124425549,59.833333333333336,15.548847760096773,1.1173661432904028E-2,"*",null,0.70669291338582674]
[1.1299999999999999,117.0467,"M00013","beta-hydroxyisovaleric acid","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",1053,1608,1650,1300,1346,1354,6491,1260,1006,1107,1349,1341,1385.1666666666667,219.03645054343534,2092.3333333333335,2159.124606563194,0.4602868625533682,null,null,1.5105282156178559]
[1.1599999999999999,264.95080000000002,"M00171","2-3-Diphospho-D-glyceric acid","Glycolysis","Metabolite LC Neg",361,908,352,502,760,537,2249,503,217,338,1345,409,570,222.37895583890128,843.5,797.45789857521629,0.45044644028626801,null,null,1.4798245614035088]
[1.23,131.03257209302325,"M00010","Ethylmalonic acid","Unclassified","Metabolite LC Neg",1124,1532,3310,1194,2194,2256,2216,873,878,1161,1032,802,1935,828.24609869289452,1160.3333333333333,533.21240295652035,8.2933226210301317E-2,null,null,0.59965546942291126]
[1.37,181.0532,"C03672","3-(4-Hydroxyphenyl)lactate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",72,173,274,131,122,172,105,82,146,90,112,157,157.33333333333334,68.257356135926244,115.33333333333333,30.157365048469764,0.19805908418786453,null,null,0.73305084745762705]
[1.39,145.05279999999999,"C06104","Adipic acid","Organic acid","Metabolite LC Neg",1010,1257,1650,1024,1664,1750,1303,748,972,1519,1076,818,1392.5,337.13009358406435,1072.6666666666667,294.16843247817502,0.1105091717218708,null,null,0.77031717534410538]
[1.51,176.03134399999999,"C03145","N-Formyl-L-methionine","Cystein metabolism","Metabolite LC Neg",0,55,64,46,59,38,68,58,44,28,34,30,43.666666666666664,23.329523498491493,43.666666666666664,16.268579122549909,1,null,null,1]
[1.55,151.02520000000001,"C01984","Mandelate","Organic acid","Metabolite LC Neg",156,246,199,302,234,262,412,436,160,190,240,187,233.16666666666666,50.7086448908533,270.83333333333331,121.65922351661901,0.49988207731395473,null,null,1.1615439599714081]
[1.6,111.0254,"M00222","3-Furoic acid","Unclassified","Metabolite LC Neg",26,42,20,46,48,20,70,18,20,12,16,24,33.666666666666664,13.109792777411343,26.666666666666668,21.602468994692867,0.51281920877891207,null,null,0.79207920792079212]
[1.74,158.0812,"M00304","N-Acetyl-DL-valine","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",216,200,314,136,332,251,230,225,187,294,212,181,241.5,73.538425329891311,221.5,40.648493207005842,0.57278009551465203,null,null,0.917184265010352]
[1.88,158.0812,"M00221","Isovalerylglycine","Glycine, Serin metabolism","Metabolite LC Neg",352,406,468,252,553,457,355,288,277,238,290,214,414.66666666666669,104.14925187761396,277,48.71139497078687,1.496738709230673E-2,"*",null,0.66800643086816713]
[1.93,188.05410000000001,"C01717","Kynurenic acid","Tryptophan metabolism","Metabolite LC Neg",26,90,41,33,32,36,132,32,48,30,41,28,43,23.545700244418299,51.833333333333336,39.992082549758109,0.65104070059327679,null,null,1.2054263565891474]
[1.98,165.0222,"C01606","Phthalic acid","Organic acid","Metabolite LC Neg",86,150,106,150,106,114,633,144,79,82,70,60,118.66666666666667,25.974346318370859,178,224.84928285409316,0.54838071243944486,null,null,1.5]
[1.99,178.0498,"C01586","Hippuric acid","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",290,351,778,284,316,570,505,215,264,520,337,306,431.5,200.42130625260378,357.83333333333331,126.71450850895755,0.46422759529524971,null,null,0.82927771340285816]
[2.2000000000000002,129.04859999999999,"C00233","4-Methyl-2-oxopentanoate","Valine, leucine and isoleucine metabolism","Metabolite LC Neg",60,78,48,42,57,44,124,43,33,50,43,54,54.833333333333336,13.392784126785081,57.833333333333336,33.198895563959148,0.84147707384200887,null,null,1.0547112462006079]
[2.2200000000000002,137.03200000000001,"C00156","4-Hydroxybenzoate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",18,40,57,40,26,66,88,16,24,38,35,21,41.166666666666664,18.093276836069986,37,26.351470547200964,0.75607482872322695,null,null,0.89878542510121462]
[2.37,145.05619999999999,"M00028","Monomethyl glutarate","Amino acid metabolism","Metabolite LC Neg",38,142,34,60,61,65,114,32,20,28,19,42,66.666666666666671,39.098167049961134,42.5,36.031930284124385,0.29160328024011695,null,null,0.63749999999999996]
[2.4500000000000002,131.0694,"C03264","2-Hydroxy-4-methylpentanoate","Organic acid","Metabolite LC Neg",216,254,228,254,294,266,770,187,195,247,272,188,252,27.712812921102035,309.83333333333331,228.14505619597955,0.5638690632363037,null,null,1.2294973544973544]
[2.84,151.03270000000001,"C05593","3-Hydroxyphenylacetate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",32,37,27,36,49,42,0,46,32,50,46,29,37.166666666666664,7.6789756261279267,33.833333333333336,18.594802141100253,0.69339786547113946,null,null,0.91031390134529155]
[2.84,192.06435666666667,"C05598","Phenylacetylglycine","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",850,836,1908,679,924,1492,938,986,704,1026,734,900,1114.8333333333333,478.66916201763678,881.33333333333337,133.11448706533261,0.29511855846948587,null,null,0.79055165196591426]
[3.21,165.0471,"M00034","L-3-Phenyllactic acid","Amino acid metabolism","Metabolite LC Neg",21,33,119,38,38,64,56,28,26,37,32,86,52.166666666666664,35.628172373371427,44.166666666666664,23.155272977589075,0.65454285444634608,null,null,0.84664536741214058]
[3.65,206.08080000000001,"C03519","N-Acetyl-L-phenylalanine","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",625,970,1172,838,957,1249,1518,854,496,618,866,1220,968.5,225.94224925852183,928.66666666666663,380.89508616765664,0.83005660384781066,null,null,0.95887110652211316]
[3.9,121.0299,"C00633","p-Hydroxybenzaldehyde","Benzoate degradation","Metabolite LC Neg",86,174,136,118,127,118,1012,158,120,128,164,138,126.5,28.745434420095307,286.66666666666669,355.74297837999086,0.32113725123814091,null,null,2.2661396574440054]
[4.37,173.08029999999999,"C02693","Indole-3-acetamide","Tryptophan metabolism","Metabolite LC Neg",564,718,754,558,860,754,840,385,710,685,428,556,701.33333333333337,118.66367037415748,600.66666666666663,175.87912515891901,0.27213636755960441,null,null,0.85646387832699611]
[4.3849999999999998,193.04435000000001,"C01494","trans-4-Hydroxy-3-methoxycinnamate","Phenylpropanoid","Metabolite LC Neg",15,50,24,36,36,38,54,48,22,32,45,38,33.166666666666664,12.139467313958493,39.833333333333336,11.634718160173318,0.35436694575357575,null,null,1.2010050251256283]
[4.3899999999999997,204.05926129032258,"C02043","Indolelactic acid","Tryptophan metabolism","Metabolite LC Neg",14,16,20,55,34,16,0,32,9,16,22,31,25.833333333333332,16.030179870065922,18.333333333333332,12.564500255349062,0.3882728744017665,null,null,0.70967741935483875]
[4.67,213.11160000000001,"C01909","Dethiobiotin","Biotin metabolism","Metabolite LC Neg",46,830,532,672,948,879,1947,462,726,638,612,1266,651.16666666666663,332.52393397568648,941.83333333333337,564.51268069607306,0.30266073843964164,null,null,1.4463782953672897]
[5.0599999999999996,383.18490000000003,"M00073","Quinine","Unclassified","Metabolite LC Neg",18,30,46,36,48,32,0,44,40,44,36,27,35,11.081516141756055,31.833333333333332,16.833498349026165,0.70838497863900951,null,null,0.90952380952380951]
[5.21,165.04079999999999,"C01198","3-(2-Hydroxyphenyl)propionic acid","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",40,136,38,88,78,76,502,54,70,42,128,92,76,36.022215367742163,148,176.07271225263725,0.36819972076024643,null,null,1.9473684210526316]
[5.23,121.03119545454545,"C00180","Benzoate","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",18,36,16,24,13,26,144,30,23,22,38,18,22.166666666666668,8.3526442918794697,45.833333333333336,48.606241025887471,0.28995053047208752,null,null,2.0676691729323307]
[5.35,144.04499999999999,"C08493","Indole-3-carboxaldehyde","Tryptophan metabolism","Metabolite LC Neg",49,112,74,90,96,79,635,112,75,84,134,92,83.333333333333329,21.500387593405549,188.66666666666666,219.68128428854988,0.29419996922080743,null,null,2.2640000000000002]
[5.42,213.11170000000001,"C06536","Harmaline","Alkaloids","Metabolite LC Neg",12,60,26,54,78,72,186,60,43,56,72,80,50.333333333333336,26.08958923913266,82.833333333333329,52.147547081973734,0.20209348722918463,null,null,1.6456953642384105]
[5.55,174.05330000000001,"C00954","Indole acetate","Tryptophan metabolism","Metabolite LC Neg",20,25,29,14,18,23,0,14,14,22,13,12,21.5,5.3197744313081543,12.5,7.0922492905988577,3.217675261516692E-2,"*",null,0.58139534883720934]
[5.93,159.10059999999999,"M00179","3-Hydroxyoctanoic acid","Lipid metabolism","Metabolite LC Neg",204,278,202,314,304,232,786,234,190,214,274,222,255.66666666666666,49.693728645239155,320,229.95999652113409,0.53023910331042745,null,null,1.2516297262059974]
[5.9512499999999999,287.15559999999999,"C05141","Estriol","Steroids","Metabolite LC Neg",76,97,90,88,117,105,421,232,76,78,148,88,95.5,14.293355099485915,173.83333333333334,135.1035405408262,0.21573259075831183,null,null,1.8202443280977314]
[6.15,115.07640000000001,"C01585","caproate(6:0)","Fatty Acid","Metabolite LC Neg",473,1591,722,682,1133,930,10908,1861,654,1133,1397,874,921.83333333333337,397.83082669228463,2804.5,3992.0759887557251,0.30139613062969778,null,null,3.0423069969264147]
[6.22,149.066,"C05629","3-Phenylpropionate (hydrocinnamate)","Phenylalanine Tyrosine metabolism","Metabolite LC Neg",12,21,32,0,17,14,128,17,9,24,18,11,16,10.564090116995406,34.5,46.116157689035624,0.37817388276462527,null,null,2.15625]
[6.3,188.06909999999999,"M00252","Indolepropionate","Tryptophan metabolism","Metabolite LC Neg",144,216,312,172,184,192,182,108,90,82,150,138,203.33333333333334,58.263768043842383,125,38.486361220567474,2.0553213515824061E-2,"*",null,0.61475409836065575]
[6.46,359.1755,"C00762","Cortisone","Steroids","Metabolite LC Neg",56,41,38,58,36,46,266,22,44,34,64,34,45.833333333333336,9.3041209507758875,77.333333333333329,93.489393337782801,0.44817652235777444,null,null,1.687272727272727]
[6.73,498.286,"C16868","Tauroursodeoxycholic acid","Sterol metabolism","Metabolite LC Neg",1711,2239,8472,2452,4427,5482,2134,2328,2332,2094,2067,2052,4130.5,2569.5214145828791,2167.8333333333335,128.67387717274499,0.12033359396086865,null,null,0.52483557277165804]
[6.96,514.28340000000003,"C05122","Taurocholate","Taurine and hypotaurine metabolism ","Metabolite LC Neg",46056,82576,116490,56899,107151,123062,132799,138430,129493,159822,79023,179231,88705.666666666672,32127.209854991564,136466.33333333334,33882.06936812841,3.1149371908164421E-2,"*",null,1.5384173126857736]
[7.09,464.30059999999997,"C01921","Glycocholate","Steroids","Metabolite LC Neg",37863,85004,11456,44718,44000,41284,70352,68786,47061,80212,30412,39079,44054.166666666664,23604.988018778295,55983.666666666664,19882.921059710177,0.36605616124589846,null,null,1.2707916390806773]
[7.22,129.08539999999999,"M00044","heptanoate(7:0)","Fatty Acid","Metabolite LC Neg",158,330,218,207,275,298,3796,240,182,282,314,208,247.66666666666666,64.239136565388719,837,1450.4006343076385,0.36555461001999112,null,null,3.3795423956931359]
[7.22,407.27749999999997,"M00242","α-Muricholic acid","Steroids","Metabolite LC Neg",1690,1650,924,1398,1958,771,1249,1028,492,1075,642,404,1398.5,464.79490100473345,815,347.70792340698824,3.3543359936732069E-2,"*",null,0.58276725062567036]
[7.35,229.14519999999999,"C02678","Dodecanedioate","Fatty acid metabolism","Metabolite LC Neg",274,400,360,412,459,383,1547,406,334,346,451,260,381.33333333333331,62.127825220803231,557.33333333333337,489.20248023355998,0.42080374833922307,null,null,1.4615384615384617]
[7.38,371.15449999999998,"C10545","Arctigenin","Phenylpropanoids","Metabolite LC Neg",50,92,152,69,104,104,70,78,40,76,58,39,95.166666666666671,34.988093212786936,60.166666666666664,17.463294839939753,5.3119291669155987E-2,null,null,0.6322241681260945]
[7.47,467.29809999999998,"M00243","β-Muricholic acid","Steroids","Metabolite LC Neg",1970,1714,626,1499,2328,1087,588,690,311,2848,698,974,1537.3333333333333,612.9214196507304,1018.1666666666666,921.47369287824301,0.27726255645073777,null,null,0.66229401561144841]
[7.57,329.22269999999997,"C03747","11α-Hydroxy Progesterone","Steroids","Metabolite LC Neg",304,758,456,788,1032,900,310,446,444,138,330,514,706.33333333333337,274.75200939513928,363.66666666666669,134.7377700077698,2.0729313248889429E-2,"*",null,0.51486550259556396]
[7.6,187.12548431372548,"M00180","3-Hydroxydecanoic acid","Lipid metabolism","Metabolite LC Neg",256,212,170,364,252,214,956,200,174,163,226,156,244.66666666666666,66.340535622398036,312.5,316.3085518919778,0.62737736487671536,null,null,1.2772479564032697]
[7.7847297297297295,271.16262837837837,"C00951","Estradiol","Steroids","Metabolite LC Neg",18,56,20,34,39,24,203,48,34,26,66,28,31.833333333333332,14.372427306014339,67.5,68.04042915796461,0.26021327345538026,null,null,2.1204188481675392]
[7.85,498.2876,"C05463","Taurodeoxycholic acid","Steroids","Metabolite LC Neg",32540,55142,173200,38868,109984,125200,36039,53276,63430,62686,39241,62650,89155.666666666672,56013.527029340577,52887,12431.501598761108,0.17702249999363645,null,null,0.5931984132621968]
[7.92,448.30489830508475,"C05464","Glycodeoxycholate","Sterol metabolism","Metabolite LC Neg",29508,52249,14780,30596,42339,29578,16452,26219,21782,26986,16082,9845,33175,12800.069812309619,19561,6641.722788554187,4.3324282818421427E-2,"*",null,0.58963074604370758]
[7.97,407.27789999999999,"C00695","Cholic acid","Sterol metabolism","Metabolite LC Neg",1008,1232,374,1136,1106,530,1392,2087,561,8760,565,3410,897.66666666666663,355.96722695589068,2795.8333333333335,3111.0376029014287,0.19625795500048779,null,null,3.1145562569624956]
[8.14,143.10708974358974,"C06423","caprylate(8:0)","Fatty Acid","Metabolite LC Neg",546,873,734,882,1050,1008,12862,882,551,784,1022,702,848.83333333333337,185.67758794929077,2800.5,4931.6875712072433,0.37707770564125498,null,null,3.2992342430787356]
[8.24,451.30169999999998,"C07880","Ursodeoxycholic acid, Ursodiol","Steroids","Metabolite LC Neg",68,48,36,54,80,50,0,39,12,174,24,24,56,15.646085772486357,45.5,64.298522533569937,0.71189433241919653,null,null,0.8125]
[8.7799999999999994,157.12260000000001,"C01601","Nonanate(9:0)","Fatty Acid","Metabolite LC Neg",2260,3170,3028,3694,3859,4068,38644,2985,1832,2474,3600,2135,3346.5,665.8906066314496,8611.6666666666661,14726.162224648575,0.42150774994390044,null,null,2.5733353254644156]
[9.1300000000000008,171.12921489361702,"C01571","Capric acid(10:0)","Fatty Acid","Metabolite LC Neg",446,712,709,548,842,1018,10196,1060,632,1046,1372,776,712.5,204.05660979247889,2513.6666666666665,3772.2405897114604,0.29522405719984318,null,null,3.5279532163742688]
[9.25,391.28280000000001,"C04483","Deoxycholate","Steroids","Metabolite LC Neg",226,317,276,529,428,380,118,192,118,571,156,156,359.33333333333331,109.94847278005582,218.5,174.91226372098669,0.12592371630211729,null,null,0.60807050092764381]
[10.06,458.3331,"C02990","L-Palmitoylcarnitine(16:0)","Acyl carnitine","Metabolite LC Neg",25,20,29,22,27,27,0,16,17,23,22,16,25,3.40587727318528,15.666666666666666,8.2623644719091551,2.846229922248018E-2,"*",null,0.62666666666666659]
[10.220000000000001,243.19399999999999,"C13790","2-Hydroxytetradecanoic acid(14：0-OH)","Fatty Acid","Metabolite LC Neg",259,200,146,367,416,254,518,218,172,211,224,222,273.66666666666669,101.28902540091234,260.83333333333331,127.44318995798349,0.85074627560252303,null,null,0.95310596833130312]
[10.24,197.15350000000001,"M00254","5-Dodecenoate (12:1n7)","Fatty Acid","Metabolite LC Neg",1082,1452,1254,1104,1857,1756,10948,1762,1162,2009,2427,1257,1417.5,330.60777365331262,3260.8333333333335,3795.3088631449573,0.28844370889321391,null,null,2.3004115226337452]
[10.25,185.15350000000001,"M00047","Undecanoate (11:0)","Fatty Acid","Metabolite LC Neg",308,497,368,462,508,508,3294,528,294,470,661,340,441.83333333333331,84.343148308956614,931.16666666666663,1165.0449633669366,0.35142513682147541,null,null,2.1075066012825348]
[10.79,225.1816,"C08322","Myristoleate (14:1n5)","Fatty Acid","Metabolite LC Neg",36,66,36,48,86,66,400,78,37,72,87,38,56.333333333333336,19.815818596935792,118.66666666666667,139.39823050048614,0.3258624704025091,null,null,2.1065088757396451]
[10.8,315.24009999999998,"C04042","20α-Hydroxyprogesterone","Steroids","Metabolite LC Neg",9,19,0,30,24,30,51,38,10,39,32,18,18.666666666666668,12.060956291549468,31.333333333333332,14.988884770611408,0.1378810942295367,null,null,1.6785714285714284]
[10.9,199.1694,"C02679","Dodecanoic acid(12:0)","Fatty Acid","Metabolite LC Neg",3450,5884,3749,4283,5346,5008,21124,4676,3264,4600,7454,3262,4620,950.41317330937704,7396.666666666667,6896.96659892352,0.37192305860908137,null,null,1.601010101010101]
[11.48,213.18430000000001,"C17076","Tridecanoic acid","Fatty Acid","Metabolite LC Neg",474,868,544,714,950,828,2948,796,526,778,988,546,729.66666666666663,188.3801121845581,1097,923.04777774500928,0.38018804757559471,null,null,1.503426222019187]
[11.49,275.19869999999997,"S00004","Stearidonic acid (18:4)","Fatty Acid","Metabolite LC Neg",200,178,106,176,382,342,204,243,160,418,288,161,230.66666666666666,107.27658955553473,245.66666666666666,97.715232521171757,0.80523859071434511,null,null,1.0650289017341041]
[11.88,301.21620000000001,"C06428","Eicosapentaenoic acid","Fatty Acid","Metabolite LC Neg",5466,11805,5848,9957,29536,28222,1566,14404,11619,39008,20987,12916,15139,10920.593280586911,16750,12573.424529538483,0.8174789976712854,null,null,1.1064138978796485]
[12.02,277.21570000000003,"C06427","Linolenic acid(18:3)","Fatty Acid","Metabolite LC Neg",6840,6058,2293,4232,8826,8784,1080,5488,3191,10846,7346,3706,6172.166666666667,2574.324021304752,5276.166666666667,3457.5507178733719,0.62169727744282155,null,null,0.85483217670726108]
[12.18,227.20060000000001,"C06424","Myristic acid(14:0)","Fatty Acid","Metabolite LC Neg",11694,14007,7376,10814,15407,14618,37574,14248,8265,15124,18990,8562,12319.333333333334,2991.9688278233571,17127.166666666668,10823.543752702561,0.33629910041071059,null,null,1.3902673304832514]
[12.18,253.21389166666668,"C08362","Palmitoleic acid","Fatty Acid","Metabolite LC Neg",13157,7475,2594,4189,6018,5638,1956,5539,3240,7223,6059,2670,6511.833333333333,3656.1826768730621,4447.833333333333,2112.6683995995836,0.25880660531302052,null,null,0.68303857080699237]
[12.23,327.23239999999998,"S00008","Docosahexaenoic acid (22:6)","Fatty Acid","Metabolite LC Neg",30242,109420,40114,53441,66602,76854,2896,44662,32217,86476,50742,62905,62778.833333333336,28452.278196423329,46649.666666666664,28262.186445260508,0.3477815752865453,null,null,0.7430795411404586]
[12.23,329.23662439024389,"C16513","Docosapentaenoate (n3 DPA; 22:5n3)","Fatty Acid","Metabolite LC Neg",712,2500,940,1218,1482,1707,240,1056,740,1951,1142,1403,1426.5,636.36899673067046,1088.6666666666667,581.0575416141387,0.35955232086270728,null,null,0.76317326790512918]
[12.5,303.23219999999998,"C00219","Arachidonate","Fatty Acid","Metabolite LC Neg",111210,423449,169934,166554,197976,219637,14396,213265,138795,270042,228242,181828,214793.33333333334,108547.10595067315,174428,89978.895163254812,0.49912322822828037,null,null,0.81207362115521897]
[12.51,301.21480000000003,"M00053","Abietic acid","Lipid metabolism","Metabolite LC Neg",47,76,48,50,136,92,216,68,43,128,64,40,74.833333333333329,35.06802912435581,93.166666666666671,68.012988955541914,0.57030902807054518,null,null,1.2449888641425391]
[12.56,255.23070000000001,"C00249","Palmitate(16:0)","Fatty Acid","Metabolite LC Neg",851,1195,836,1087,1137,911,4885,1409,872,996,1468,354,1002.8333333333334,155.77729830327203,1664,1628.9794351065332,0.36700352634605177,null,null,1.6592986538141929]
[12.68,279.23175000000003,"C01595","linoleate(18:2n6)","Fatty Acid","Metabolite LC Neg",167132,240897,87609,118812,183410,170540,18105,170918,96848,186094,162762,110462,161400,53253.089972319918,124198.16666666667,62759.031472503346,0.29415783116436434,null,null,0.7695053696819496]
[12.69,241.21553599999999,"C16537","Pentadecanoate (15:0)","Fatty Acid","Metabolite LC Neg",3202,4566,2505,3381,4846,4231,6956,5668,2544,4200,5226,2550,3788.5,902.88753452464948,4524,1768.5144048042132,0.38558766460433502,null,null,1.1941401610135938]
[13,305.24669999999998,"M00257","Dihomo-linolenate (20:3n6)","Fatty Acid","Metabolite LC Neg",8588,28308,8386,8726,12450,13414,442,10772,4646,12425,10744,8712,13312,7658.2832540981399,7956.833333333333,4553.2974608152563,0.17170797682912753,null,null,0.59771885016025639]
[13.4,281.24723870967739,"C01712","Elaidic acid","Fatty Acid","Metabolite LC Neg",218086,203290,91138,102052,145101,144263,21370,129068,78718,142522,139774,88770,150655,51562.801444452183,100037,46897.218028364965,0.1056175914875056,null,null,0.66401380637881247]
[13.54,307.26159999999999,"C16525","Eicosadienoic acid (20:2)","Fatty Acid","Metabolite LC Neg",3405,4382,1599,1871,3264,2641,314,2950,1346,3052,2594,1836,2860.3333333333335,1038.5496938840563,2015.3333333333333,1063.7516000771357,0.19402652682053839,null,null,0.70457988579419639]
[13.67,417.32010000000002,"M00165","1-Stearoyl-rac-glycerol","Monoacylglycerol","Metabolite LC Neg",99699,146273,130114,133604,143376,123109,304369,155037,92074,110786,164430,80586,129362.5,16851.870884266827,151213.66666666666,82177.867065692728,0.54943076106730904,null,null,1.1689142268174058]
[13.72,269.24374155844157,"M00255","Heptadecanoic acid(17:0)","Fatty Acid","Metabolite LC Neg",6700,8454,4364,5091,7542,7541,5604,10516,4277,8146,10256,4378,6615.333333333333,1580.8559284978087,7196.166666666667,2838.4731400291007,0.67076477934688294,null,null,1.0878010682253352]
[14.58,309.27769999999998,"M00358","Eicosenoic acid (20:1)","Fatty Acid","Metabolite LC Neg",6778,3762,1604,1774,3137,2656,413,2701,1814,2324,2475,1390,3285.1666666666665,1894.9936587404895,1852.8333333333333,850.56673263575647,0.12208492646375453,null,null,0.56399979706762726]
[0.57999999999999996,183.09829999999999,"C00392","D-Mannitol","Sugar","Metabolite LC Pos",39,54,44,42,38,38,300,46,29,32,64,14,42.5,6.1237243569579451,80.833333333333329,108.69115266049333,0.42758698112386118,null,null,1.9019607843137254]
[0.581358024691358,115.03706790123456,"C02512","L-3-Cyanoalanine","Unclassified","Metabolite LC Pos",91,253,102,198,105,154,534,164,154,82,244,126,150.5,64.401086947348958,217.33333333333334,164.01300761423363,0.37472985385134827,null,null,1.4440753045404209]
[0.59705882352941175,200.04349411764704,"C12147","L-Threonine phosphate","Glycine, Serin metabolism","Metabolite LC Pos",2354,4118,5170,3751,3697,4106,9822,2851,2314,2778,2762,2992,3866,910.9829855710808,3919.8333333333335,2900.4107582662609,0.96681548090212233,null,null,1.0139248146232109]
[0.62,169.0581,"C01959","Taurocyamine","Taurine and hypotaurine metabolism ","Metabolite LC Pos",1386,2335,602,2489,1306,1287,11248,2900,2310,1302,2788,1482,1567.5,714.20074208866515,3671.6666666666665,3769.3834862834883,0.2332108107733156,null,null,2.3423710792131844]
[0.68,284.0958,"C00387","Guanosine","Purine metabolism","Metabolite LC Pos",2308,2466,2091,1800,4009,2922,9340,2591,1879,2702,2818,1746,2599.3333333333335,786.29044676039859,3512.6666666666665,2889.1868521552333,0.48445197886520008,null,null,1.351372146704283]
[0.71,180.08699999999999,"M00234","Glucosamine","Sugar","Metabolite LC Pos",861,498,545,207,260,279,2288,264,198,150,284,272,441.66666666666669,246.66711711670578,576,840.27709715307606,0.72034552258440154,null,null,1.3041509433962264]
[0.73,258.1096,"M00313","3-Methylcytidine","Nucleotide metabolism","Metabolite LC Pos",8990,20099,22831,9176,17770,12146,44321,8338,6796,5350,11628,8952,15168.666666666666,5882.3628472465598,14230.833333333334,14892.483908558257,0.88877114643171296,null,null,0.93817298817738326]
[0.74,124.02330000000001,"C00253","Nicotinate","Nicotinate and Ncotinamide metabolism","Metabolite LC Pos",2998,4636,4722,4048,3952,3875,10504,3930,3140,3397,3758,3274,4038.5,623.07680104462247,4667.166666666667,2874.8946705343251,0.6211541474959229,null,null,1.1556683587140442]
[0.74,130.06743037974684,"C00408","L-Pipecolate","Lysine metabolism","Metabolite LC Pos",6057,12250,5866,8672,9622,7060,60999,13151,8662,7106,10815,7426,8254.5,2448.2300341266955,18026.5,21174.200195048688,0.31120525041135083,null,null,2.1838391180568175]
[0.74,212.08817380952382,"M00250","3-Methoxytyrosine","Unclassified","Metabolite LC Pos",126,148,178,136,124,122,588,170,88,148,190,106,139,21.419617176784463,215,186.69654522781079,0.36624761538667039,null,null,1.5467625899280575]
[0.76,360.1413,"C00208","Maltose","Sugar","Metabolite LC Pos",51,344,242,112,72,76,271,48,63,47,66,72,149.5,117.39122624796114,94.5,87.041943912116295,0.37830250286034661,null,null,0.63210702341137126]
[0.78,103.11200303030303,"C01672","1,5-Diaminopentane","Polyamine","Metabolite LC Pos",53,36,26,27,16,22,359,31,41,18,40,18,30,13.038404810405298,84.5,134.85510743016002,0.36892194379400756,null,null,2.8166666666666669]
[0.79,91.049199999999999,"C01013","Hydroxypropionic acid","Pyrimidine metabolism","Metabolite LC Pos",22,52,46,63,42,38,148,33,28,30,36,32,43.833333333333336,13.804588609106277,51.166666666666664,47.51596223025129,0.7293636224964879,null,null,1.1673003802281368]
[0.83,348.06909999999999,"C01367","3'-AMP","Purine metabolism","Metabolite LC Pos",19564,15322,25685,11234,24606,15719,122036,12089,8898,31991,15832,21295,18688.333333333332,5664.8943738314001,35356.833333333336,43231.98577635159,0.39069315959607231,null,null,1.8919200927494875]
[0.84,137.07857391304347,"C02918","1-Methylnicotinamide","Nicotinate and Ncotinamide metabolism","Metabolite LC Pos",204,420,592,0,516,376,2236,329,154,329,78,357,351.33333333333331,217.02595850880761,580.5,818.7240682916314,0.53336441879433272,null,null,1.6522770398481974]
[0.84,615.16189999999995,"C00128","CMP-N-acetylneuraminate","Sugar metabolism","Metabolite LC Pos",2674,5308,4527,2514,3919,3056,26042,4302,2269,2550,3883,2266,3666.3333333333335,1112.183557991515,6885.333333333333,9424.5358860087454,0.44292347506384144,null,null,1.8779889080825527]
[0.89,144.08572669365722,"C10172","Stachydrine","Alkaloids","Metabolite LC Pos",508,1045,1728,629,1030,1410,6768,982,499,824,944,567,1058.3333333333333,460.49914947442261,1764,2459.2915239962908,0.51848949272289568,null,null,1.6667716535433073]
[0.91,286.09140000000002,"M00261","N4-Acetylcytidine","Nucleotide metabolism","Metabolite LC Pos",329,829,730,536,536,547,1604,886,680,436,810,719,584.5,174.55171153557905,855.83333333333337,397.15609861447001,0.15651737768040369,null,null,1.4642144282862846]
[0.95,245.08189999999999,"C02067","Pseudouridine","Pyrimidine metabolism","Metabolite LC Pos",536,1390,837,495,882,842,3006,924,688,542,906,496,830.33333333333337,320.98515022764946,1093.6666666666667,953.63843602628901,0.54473809310706334,null,null,1.3171417101565637]
[1.04,106.051,"C01769","(S)-2-Acetoin","Unclassified","Metabolite LC Pos",48,58,92,83,75,81,69,35,54,48,40,25,72.833333333333329,16.606223732886004,45.166666666666664,15.432649372893392,1.358837812747099E-2,"*",null,0.62013729977116705]
[1.05,177.11,"C00780","Serotonin","Tryptophan metabolism","Metabolite LC Pos",34,35,46,24,19,22,202,18,24,26,34,27,30,10.178408519999577,55.166666666666664,72.117727825179472,0.43454694646211101,null,null,1.8388888888888888]
[1.07,170.08040793650795,"C00314","Pyridoxine","Cofactors and Vitamins","Metabolite LC Pos",124,297,156,226,155,200,1300,388,274,310,460,354,193,62.494799783661996,514.33333333333337,390.23155519084645,0.10024993853096199,null,null,2.6649395509499136]
[1.08,133.08009999999999,"C02642","N-Carbamoyl-β-alanine","β-Alanine metabolism","Metabolite LC Pos",88,118,99,312,87,73,996,160,110,64,90,63,129.5,90.652633717945562,247.16666666666666,368.60082293270403,0.47838231605406245,null,null,1.9086229086229085]
[1.0900000000000001,232.15049999999999,"C02862","Butyrylcarnitine","Acyl carnitine","Metabolite LC Pos",12406,3627,6046,4430,3293,2496,10070,2144,3104,2015,2078,1720,5383,3645.7293371834394,3521.8333333333335,3242.0148313458817,0.37208867452243222,null,null,0.6542510372159267]
[1.1100000000000001,248.03120000000001,"C00018","Pyridoxal 5-phosphate","Cofactors and Vitamins","Metabolite LC Pos",292,498,538,414,491,404,2686,450,374,398,440,354,439.5,88.818353959077626,783.66666666666663,932.68336892359503,0.40876727842527516,null,null,1.7830868411073189]
[1.1200000000000001,346.0505,"C00942","3',5'-Cyclic GMP","Purine metabolism","Metabolite LC Pos",36,90,0,78,100,99,0,48,54,39,0,90,67.166666666666671,40.528590731317891,38.5,34.489128721961066,0.21642110686598773,null,null,0.57320099255583123]
[1.1599999999999999,105.04430000000001,"M00012","2-Hydroxyisobutyric acid","Unclassified","Metabolite LC Pos",252,392,335,313,356,320,1726,372,254,282,400,238,328,46.891363810407562,545.33333333333337,582.03321783783667,0.40323520518234901,null,null,1.6626016260162604]
[1.21,127.05988448275862,"C00178","Thymine","Pyrimidine metabolism","Metabolite LC Pos",57,176,232,110,146,120,445,90,94,90,119,99,140.16666666666666,59.97471689526067,156.16666666666666,141.91182708522453,0.80435225092351303,null,null,1.1141498216409036]
[1.25,312.14010000000002,"M00310","N2,N2-Dimethylguanosine","Nucleotide metabolism","Metabolite LC Pos",84,147,179,132,139,164,336,164,120,141,165,140,140.83333333333334,32.688937986215855,177.66666666666666,79.379258415953146,0.31800281662773494,null,null,1.2615384615384613]
[1.41,295.12630000000001,"M00286","γ-Glutamylphenylalanine","Phenylalanine Tyrosine metabolism","Metabolite LC Pos",77,134,130,92,164,108,186,117,94,88,100,113,117.5,31.532522893038546,116.33333333333333,35.870136139505597,0.95346512357408419,null,null,0.99007092198581559]
[1.45,252.11142807017544,"C00559","Deoxyadenosine","Purine metabolism","Metabolite LC Pos",90,208,136,136,103,130,264,166,114,94,182,132,133.83333333333334,40.980076459990478,158.66666666666666,60.961189839656747,0.42692832511740431,null,null,1.1855541718555416]
[1.52,100.0993,"C00571","Cyclohexylamine","Unclassified","Metabolite LC Pos",60,173,86,222,97,129,420,138,86,112,196,132,127.83333333333333,60.350365919906942,180.66666666666666,122.78544973516475,0.36649053614796356,null,null,1.4132985658409387]
[2.94,174.10730000000001,"C02710","N-Acetyl-L-leucine","Valine, leucine and isoleucine metabolism","Metabolite LC Pos",158,264,282,184,256,315,862,280,136,232,266,284,243.16666666666666,60.034712181092885,343.33333333333331,259.96512586627205,0.39610870213640914,null,null,1.4119259766963674]
[3.25,298.09589999999997,"C00170","5'-Methylthioadenosine","Cystein metabolism","Metabolite LC Pos",2708,3324,6524,3198,5882,3920,2715,2618,3458,3448,2608,4812,4259.333333333333,1567.4706589492084,3276.5,850.4012582304897,0.20678087919783608,null,null,0.76925183909845052]
[3.64,253.12620000000001,"C06952","Cimetidine","Drug or Drug metabolism","Metabolite LC Pos",14,62,46,44,64,42,84,30,45,38,60,32,45.333333333333336,18.007405883876409,48.166666666666664,20.634114147853957,0.80508102211222488,null,null,1.0625]
[3.9,208.09304666666665,"C05620","N-Acetyl-D-phenylalanine","Phenylalanine Tyrosine metabolism","Metabolite LC Pos",42,58,74,34,43,54,86,64,39,52,68,80,50.833333333333336,14.288690166235209,64.833333333333329,17.440374613713619,0.15922972417055931,null,null,1.2754098360655737]
[3.92,377.14499999999998,"C00255","Riboflavin","Cofactors and Vitamins","Metabolite LC Pos",2406,3396,3230,2343,3194,3167,8058,4208,3476,3402,3664,3484,2956,457.84495192149927,4382,1824.6323465290207,0.1159660928118536,null,"*",1.4824086603518267]
[4.42,247.1388,"C03137","N-acetyl-D-tryptophan","Unclassified","Metabolite LC Pos",38,59,62,84,66,0,286,61,16,64,79,42,51.5,29.214722315983085,91.333333333333329,97.799113833749374,0.3767068140421852,null,null,1.7734627831715208]
[5.85,265.14569999999998,"C06082","Abscisate","Plant metabolites","Metabolite LC Pos",90,233,209,121,177,142,568,190,80,154,133,135,162,54.295487841992909,210,178.97150611200655,0.55306716249812138,null,null,1.2962962962962963]
[5.97,288.2029,"M00312","Octanoylcarnitine(8:0)","Acyl carnitine","Metabolite LC Pos",236,155,312,406,282,284,286,182,114,110,170,114,279.16666666666669,83.038344556395529,162.66666666666666,68.043123581054601,2.3976005317319193E-2,"*",null,0.58268656716417899]
[6.25,361.2054,"M00015","1,4-Pregnadien-11 beta,17,21-triol-3-20-dione","Unclassified","Metabolite LC Pos",94,83,124,84,92,53,474,106,78,85,104,76,88.333333333333329,22.861904265976342,153.83333333333334,157.36888722573681,0.35753480980481317,null,null,1.7415094339622643]
[6.37,306.19080000000002,"M00467","16-Epiestriol","Steroids","Metabolite LC Pos",288,452,284,298,420,278,1979,343,268,272,344,208,336.66666666666669,77.878537907864413,569,692.66615335239237,0.45049660522835683,null,null,1.69009900990099]
[6.38,303.1936,"C05290","19-Hydroxyandrostenedione","Sterol metabolism","Metabolite LC Pos",92,224,168,196,217,166,842,274,144,176,314,160,177.16666666666666,48.159803432599979,318.33333333333331,265.30410224243928,0.25265178478476125,null,null,1.7968015051740358]
[6.51,363.22070000000002,"C00735","Cortisol","Steroids","Metabolite LC Pos",259,453,517,329,607,249,664,321,302,278,220,432,402.33333333333331,146.31290669885098,369.5,160.16710024221578,0.71856970887953509,null,null,0.91839270919635463]
[7.03,347.21980000000002,"C02140","Corticosterone","Steroids","Metabolite LC Pos",696,180,185,192,284,119,274,97,91,248,138,152,276,212.44575778301623,166.66666666666666,77.137971626603374,0.27884244494672111,null,null,0.60386473429951693]
[7.81,344.28730000000002,"S00019","O-Dodecanoyl-L-carnitine(12:0)","Acyl carnitine","Metabolite LC Pos",85,135,96,110,125,158,596,134,50,261,86,76,118.16666666666667,26.738860608983803,200.5,207.73227962933444,0.37847979292743117,null,null,1.6967559943582511]
[7.82,289.22289999999998,"C00535","Testosterone","Steroids","Metabolite LC Pos",212,182,238,162,140,184,1230,282,179,311,206,162,186.33333333333334,34.903676979176112,395,413.21084206491969,0.27179949281862376,null,null,2.1198568872987478]
[8.6199999999999992,300.28559999999999,"C00319","D-Sphingosine","SphingoLipids","Metabolite LC Pos",166,370,138,234,199,262,0,396,231,371,378,265,228.16666666666666,82.632721525232739,273.5,149.74211164532173,0.5307941048310052,null,null,1.1986851716581446]
[8.91,468.30709999999999,"S00010","1-Myristoylglycerophosphocholine(14:0)","Lyso PC","Metabolite LC Pos",126,162,176,118,200,182,624,154,181,178,152,146,160.66666666666666,32.438660062750259,239.16666666666666,189.07820251596075,0.35977861499826819,null,null,1.4885892116182573]
[9.31,494.32177307692308,"S00012","1-Palmitoleoylglycerophosphocholine(16:1)","Lyso PC","Metabolite LC Pos",3726,6218,5434,4800,6503,7382,1948,4815,5788,8239,6156,5300,5677.166666666667,1305.1100209050073,5374.333333333333,2051.6616355205038,0.76657333276322437,null,null,0.94665766374071558]
[9.57,544.34139230769233,"S00017","1-Arachidonoylglycerophosphocholine(20:4)","Lyso PC","Metabolite LC Pos",62456,110625,105845,92924,118918,121185,13246,64500,96105,127102,99602,98951,101992.16666666667,21861.193667470841,83251,39634.027663107874,0.33439486616826308,null,null,0.81624896029597038]
[9.8000000000000007,496.33539999999999,"C04102","1-Palmitoylglycerophosphocholine(16:0)","Lyso PC","Metabolite LC Pos",24696,32498,26720,23076,30344,30056,7878,33823,28836,39062,27797,31602,27898.333333333332,3652.1788382644409,28166.333333333332,10721.180581758084,0.95561952935154926,null,null,1.0096063086205866]
[10.35,482.34313975903615,"S00024","1-Pentadecanoyl-glycero-3-phosphocholine(15:0)","Lyso PC","Metabolite LC Pos",2290,2485,2313,1994,2322,2090,170,2558,2474,2928,2288,2862,2249,177.26138891478877,2213.3333333333335,1029.4702844991041,0.93641780749535575,null,null,0.98414109974803621]
[10.53,510.35129999999998,"S00025","1-Heptadecanoyl-glycero-3-phosphocholine (17:0)","Lyso PC","Metabolite LC Pos",1329,1568,1423,1311,1594,1593,778,1364,1410,1731,1227,1582,1469.6666666666667,132.27194209909624,1348.6666666666667,330.17672035845709,0.42413898654941862,null,null,0.91766840553413476]
[10.79,431.33033636363638,"C08902","Hecogenin","Steroids","Metabolite LC Pos",20,28,32,28,24,32,57,36,22,44,62,9,27.333333333333332,4.6761807778000417,38.333333333333336,20.363365799068355,0.24852387489933625,null,null,1.402439024390244]
[12.03,282.274,"M00241","9-Octadecenamide","Lipid metabolism","Metabolite LC Pos",40,44,34,32,31,17,289,36,28,40,24,26,33,9.2951600308978009,73.833333333333329,105.58866732119819,0.38806491218057798,null,null,2.237373737373737]
[12.57,331.28315352112674,"M00288","1-Palmitoylglycerol (1-monopalmitin)","Monoacylglycerol","Metabolite LC Pos",26922,38887,28435,35417,35908,32606,39393,40390,26270,36184,43145,24432,33029.166666666664,4623.560594029952,34969,7797.2198635154573,0.61157973349002259,null,null,1.0587309196417309]

{"sheet":"Diff01_Map","index":4,"n_rows":0,"n_cols":0,"rows_kept":0,"cut":false,"hidden":false,"merged":[]}

{"sheet":"HeatMap","index":5,"n_rows":410,"n_cols":13,"rows_kept":410,"cut":false,"hidden":false,"merged":[[40,0,43,0],[2,0,5,0],[6,0,7,0],[8,0,27,0],[28,0,31,0],[32,0,39,0],[149,0,153,0],[50,0,62,0],[63,0,67,0],[68,0,81,0],[82,0,83,0],[85,0,116,0],[118,0,120,0],[121,0,122,0],[123,0,131,0],[132,0,137,0],[138,0,142,0],[143,0,148,0],[224,0,233,0],[154,0,159,0],[160,0,161,0],[162,0,163,0],[164,0,170,0],[171,0,175,0],[176,0,179,0],[390,0,398,0],[399,0,404,0],[405,0,407,0],[278,0,279,0],[280,0,296,0],[297,0,304,0],[305,0,318,0],[319,0,322,0],[323,0,326,0],[1,1,1,6],[1,7,1,12],[327,0,367,0],[368,0,375,0],[376,0,389,0],[234,0,236,0],[237,0,238,0],[239,0,241,0],[243,0,261,0],[262,0,275,0],[276,0,277,0],[180,0,194,0],[195,0,199,0],[200,0,214,0],[215,0,216,0],[219,0,223,0]]}
["Category","rat liver_1-1","rat liver_1-2","rat liver_1-3","rat liver_1-4","rat liver_1-5","rat liver_1-6","rat liver_2-1","rat liver_2-2","rat liver_2-3","rat liver_2-4","rat liver_2-5","rat liver_2-6"]
[null,"Diabetes",null,null,null,null,null,"Controls"]
["Acyl carnitine"]
[]
[]
[]
["Alkaloids"]
[]
["Amino acid"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Amino acid metabolism"]
[]
[]
[]
["Arginin, Proline metabolism"]
[]
[]
[]
[]
[]
[]
[]
["Ascorbate and Aldarate metabolism"]
[]
[]
[]
["Benzoate degradation"]
["Bile secretion"]
["Biotin metabolism"]
["Butanoate metabolism"]
["C5-Branched dibasic acid"]
["Citrate cycle (TCA cycle)"]
["Cofactors and Vitamins"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Cystein metabolism"]
[]
[]
[]
[]
["Diacylglycerol "]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Dipeptide"]
[]
["Drug or Drug metabolism"]
["Fatty Acid"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Fatty acid metabolism"]
["Glutathione metabolism"]
[]
[]
["Glycerophospholipid metabolism"]
[]
["Glycine, Serin metabolism"]
[]
[]
[]
[]
[]
[]
[]
[]
["Glycolysis"]
[]
[]
[]
[]
[]
["Histidine metabolism"]
[]
[]
[]
[]
["Lipid metabolism"]
[]
[]
[]
[]
[]
["Lysine metabolism"]
[]
[]
[]
[]
["Lyso PC"]
[]
[]
[]
[]
[]
["Lyso PE"]
[]
["Monoacylglycerol"]
[]
["Nicotinate and Ncotinamide metabolism"]
[]
[]
[]
[]
[]
[]
["Nucleotide metabolism"]
[]
[]
[]
[]
["Organic acid"]
[]
[]
[]
["Other Group"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Pentose phosphate pathway"]
[]
[]
[]
[]
["Phenylalanine Tyrosine metabolism"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Phenylpropanoid"]
[]
["Phenylpropanoids"]
["Phosphatidyl inositol"]
["Phosphatidylcholine"]
[]
[]
[]
[]
["Phosphatidylethanolamine"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Phosphonate and phosphinate metabolism"]
[]
[]
["Plant metabolites"]
[]
["Polyamine"]
[]
[]
["Prostaglandins"]
["Purine metabolism"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Pyrimidine metabolism"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Pyruvate metabolism"]
[]
["SphingoLipids"]
[]
["Steroids"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Sterol metabolism"]
[]
[]
[]
[]
[]
[]
[]
["Sugar"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Sugar metabolism"]
[]
[]
[]
["Taurine and hypotaurine metabolism "]
[]
[]
[]
["Triacylglycerol"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Tryptophan metabolism"]
[]
[]
[]
[]
[]
[]
[]
["Unclassified"]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
[]
["Urea Cycle"]
[]
[]
[]
[]
[]
[]
[]
[]
["Valine, leucine and isoleucine metabolism"]
[]
[]
[]
[]
[]
["β-Alanine metabolism"]
[]
[]
[]
["End_Row"]

{"sheet":"Result_Diff","index":6,"n_rows":408,"n_cols":8,"rows_kept":408,"cut":false,"hidden":false,"merged":[[1,3,1,4]]}
["Category","Number","Name","Ratio","P Value","Method","Rt","Ms"]
["Class1",null,"Diabetes vs Controls","Diabetes vs Controls"]
["Acyl carnitine","C02990","L-Palmitoylcarnitine(16:0)",0.62666666666666659,2.846229922248018E-2,"Metabolite LC Neg",10.06,458.3331]
["Acyl carnitine","C02862","Butyrylcarnitine",0.6542510372159267,0.37208867452243222,"Metabolite LC Pos",1.0900000000000001,232.15049999999999]
["Acyl carnitine","M00312","Octanoylcarnitine(8:0)",0.58268656716417899,2.3976005317319193E-2,"Metabolite LC Pos",5.97,288.2029]
["Acyl carnitine","S00019","O-Dodecanoyl-L-carnitine(12:0)",1.6967559943582511,0.37847979292743117,"Metabolite LC Pos",7.81,344.28730000000002]
["Alkaloids","C06536","Harmaline",1.6456953642384105,0.20209348722918463,"Metabolite LC Neg",5.42,213.11170000000001]
["Alkaloids","C10172","Stachydrine",1.6667716535433073,0.51848949272289568,"Metabolite LC Pos",0.89,144.08572669365722]
["Amino acid","C00047","L-Lysine",0.97107544416788272,0.79521327158898003,"Metabolite CE CA",6.96,147.10340816326533]
["Amino acid","C00135","L-Histidine",0.94699163888737081,0.70221142521640734,"Metabolite CE CA",7.18,156.0778]
["Amino acid","C00062","L-Arginine",0.88988476312419973,0.45306527486177395,"Metabolite CE CA",7.19,175.1097]
["Amino acid","C00037","Glycine",1.0080128205128205,0.95553836481979104,"Metabolite CE CA",8.1815384615384623,76.050123076923072]
["Amino acid","C00041","L-Alanine",0.86635553669919385,0.34272945461497761,"Metabolite CE CA",8.73,90.057400000000001]
["Amino acid","C00183","L-Valine",1.0605747856462369,0.59776109867956184,"Metabolite CE CA",9.5399999999999991,118.08669999999999]
["Amino acid","C00065","L-Serine",0.74122520165685624,6.7869798486356089E-2,"Metabolite CE CA",9.61,106.0517]
["Amino acid","C00188","L-Threonine",0.97312383708910488,0.83810890490336387,"Metabolite CE CA",9.9,120.06570000000001]
["Amino acid","C00123","L-Leucine",1.0510921416018078,0.6464122213363247,"Metabolite CE CA",9.9700000000000006,132.10220000000001]
["Amino acid","C00152","L-Asparagine",0.96239394634258191,0.69617000106682969,"Metabolite CE CA",9.9700000000000006,133.0760498922414]
["Amino acid","C00073","L-Methionine",0.93260320134793595,0.4947956163055145,"Metabolite CE CA",10.199999999999999,150.05609999999999]
["Amino acid","C00148","L-Proline",1.0900590370723477,0.45205764842234863,"Metabolite CE CA",10.210000000000001,116.0707]
["Amino acid","C00064","L-Glutamine",1.1892727238461394,0.19513956298175217,"Metabolite CE CA",10.24,147.0762]
["Amino acid","C00025","L-Glutamate",1.0002030082126048,0.99825300301379483,"Metabolite CE CA",10.24,148.06479999999999]
["Amino acid","C00078","L-Tryptophan",1.2126047068209016,0.28750168903967488,"Metabolite CE CA",10.29,205.09460000000001]
["Amino acid","C00079","L-Phenylalanine",0.98005974005005247,0.84240875743339971,"Metabolite CE CA",10.36,166.0873]
["Amino acid","C00082","L-Tyrosine",1.1376236414702652,0.47889230108525838,"Metabolite CE CA",10.48,182.08449999999999]
["Amino acid","C00097","L-Cysteine",0.77040816326530626,0.2249355983306984,"Metabolite CE CA",10.55,122.0266]
["Amino acid","C00049","L-Aspartate",0.84468397844194032,6.6297124040270619E-2,"Metabolite CE CA",10.73,134.04509999999999]
["Amino acid","C00407","L-Isoleucine",1.1531064673638522,0.47547683886104974,"Metabolite LC Neg",0.93,130.0865]
["Amino acid metabolism","C01042","N-Acetyl-L-aspartate",0.53816793893129777,7.1689345686857366E-3,"Metabolite CE AN",14.21,174.0376]
["Amino acid metabolism","M00296","Iminodiacetate (IDA)",1.2861793430008877,0.59499732618287149,"Metabolite LC Neg",0.75,132.03030000000001]
["Amino acid metabolism","M00028","Monomethyl glutarate",0.63749999999999996,0.29160328024011695,"Metabolite LC Neg",2.37,145.05619999999999]
["Amino acid metabolism","M00034","L-3-Phenyllactic acid",0.84664536741214058,0.65454285444634608,"Metabolite LC Neg",3.21,165.0471]
["Arginin, Proline metabolism","C00791","Creatinine",0.86545051932303485,0.46488947050531393,"Metabolite CE CA",7.17,114.0681]
["Arginin, Proline metabolism","C01924","Homoarginine",0.98245614035087725,0.93708836921271299,"Metabolite CE CA",7.42,189.12629999999999]
["Arginin, Proline metabolism","C03626","N-N-dimethylarginine",0.67781155015197569,2.4789231399351287E-2,"Metabolite CE CA",7.56,203.1414]
["Arginin, Proline metabolism","C03139","Guanidinosuccinic acid",0.91769547325102885,0.64803269890075954,"Metabolite CE CA",9.6300000000000008,176.0729]
["Arginin, Proline metabolism","M00001","N-alpha-Acetyl-L-arginine",0.77736549165120594,0.36494306264186638,"Metabolite CE CA",9.7100000000000009,217.11911219512194]
["Arginin, Proline metabolism","C04137","D-Octopine",0.58139534883720934,7.0296200391596633E-2,"Metabolite CE CA",10.15,247.1395]
["Arginin, Proline metabolism","C01015","L-Hydroxyproline",0.81591083781706375,0.15932471557307101,"Metabolite CE CA",11.15,132.06970000000001]
["Arginin, Proline metabolism","C00437","N-Acetylornithine",1.0993788819875776,0.77800285389182955,"Metabolite LC Neg",0.69,173.09280000000001]
["Ascorbate and Aldarate metabolism","C00818","D-Glucarate",1.9938635247913596,0.30068602280179962,"Metabolite LC Neg",0.72535476046088543,209.01664962603598]
["Ascorbate and Aldarate metabolism","C02670","D-Glucuronolactone",1.0501518748922285,0.91839847871295999,"Metabolite LC Neg",0.83,175.02510000000001]
["Ascorbate and Aldarate metabolism","C01040","L-Gulono-1,4-lactone",1.0249541801776398,0.95087749632943508,"Metabolite LC Neg",0.83,177.0343]
["Ascorbate and Aldarate metabolism","C01620","Threonate",1.4141955124591272,0.31670489765083171,"Metabolite LC Neg",0.94,135.0307]
["Benzoate degradation","C00633","p-Hydroxybenzaldehyde",2.2661396574440054,0.32113725123814091,"Metabolite LC Neg",3.9,121.0299]
["Bile secretion","C05466","Glycochonodeoxycholate",0.60561660561660569,3.3855476356499915E-2,"Metabolite CE AN",8.8699999999999992,448.30709999999999]
["Biotin metabolism","C01909","Dethiobiotin",1.4463782953672897,0.30266073843964164,"Metabolite LC Neg",4.67,213.11160000000001]
["Butanoate metabolism","C01089","(R)-3-Hydroxybutanoate",1.3553890969621307,5.7136080277150239E-2,"Metabolite CE AN",11.19,103.0395]
["C5-Branched dibasic acid","C00490","Itaconate",2.5325443786982245,0.44993857777639523,"Metabolite LC Neg",1.0900000000000001,129.02109999999999]
["Citrate cycle (TCA cycle)","C00024","Acetyl-CoA",0.9375,0.87839084536625167,"Metabolite CE AN",11.79,403.55509999999998]
["Cofactors and Vitamins","C00016","FAD",0.9975186104218362,0.97194347431046113,"Metabolite CE AN",10.14,784.14700000000005]
["Cofactors and Vitamins","C00061","FMN",0.86330935251798557,0.55934655500487018,"Metabolite CE AN",10.58,455.09629999999999]
["Cofactors and Vitamins","C00010","Coenzyme A",0.69874476987447698,0.11183665985792647,"Metabolite CE AN",12.6,382.5514]
["Cofactors and Vitamins","C00534","Pyridoxamine",1.3264049268668208,0.13290390673069039,"Metabolite CE CA",6.02,169.09780000000001]
["Cofactors and Vitamins","C00378","Thiamine",1.0556631171345596,0.68894328640707325,"Metabolite CE CA",6.54,265.11009999999999]
["Cofactors and Vitamins","C00250","Pyridoxal",1.3480841878035619,0.2539824075449047,"Metabolite CE CA",8.41,168.06639999999999]
["Cofactors and Vitamins","C00272","5,6,7.8-Tetrahydrobiopterin",0.51503759398496241,1.4503806477959801E-2,"Metabolite CE CA",9.3307692307692314,242.13329615384615]
["Cofactors and Vitamins","C01004","Trigonelline",0.31859172328597896,0.15755671174779079,"Metabolite CE CA",9.91,138.05629999999999]
["Cofactors and Vitamins","C00864","(R)-Pantothenate",1.0792978208232447,0.5019072282967314,"Metabolite CE CA",15.325135135135135,220.12899459459459]
["Cofactors and Vitamins","C00647","Pyridoxamine-phosphate",1.7398160315374507,0.16164090314360177,"Metabolite LC Neg",0.73,247.04759999999999]
["Cofactors and Vitamins","C00314","Pyridoxine",2.6649395509499136,0.10024993853096199,"Metabolite LC Pos",1.07,170.08040793650795]
["Cofactors and Vitamins","C00018","Pyridoxal 5-phosphate",1.7830868411073189,0.40876727842527516,"Metabolite LC Pos",1.1100000000000001,248.03120000000001]
["Cofactors and Vitamins","C00255","Riboflavin",1.4824086603518267,0.1159660928118536,"Metabolite LC Pos",3.92,377.14499999999998]
["Cystein metabolism","C00021","S-Adenosyl-L-homocysteine",0.92790893760539628,0.56431363165630311,"Metabolite CE CA",8.48,385.12759999999997]
["Cystein metabolism","C02989","L-Methionine S-oxide",0.69973190348525471,0.22099119890706101,"Metabolite CE CA",10.91,166.0625]
["Cystein metabolism","C00155","L-Homocysteine",1.3203083932013318,0.37786633123453384,"Metabolite LC Neg",0.79,134.02000000000001]
["Cystein metabolism","C03145","N-Formyl-L-methionine",1,1,"Metabolite LC Neg",1.51,176.03134399999999]
["Cystein metabolism","C00170","5'-Methylthioadenosine",0.76925183909845052,0.20678087919783608,"Metabolite LC Pos",3.25,298.09589999999997]
["Diacylglycerol ","S10063","DG(32:2)",0.36507936507936506,0.1849807161930124,"Lipid LC Pos",7.96,582.50059999999996]
["Diacylglycerol ","S10066","DG(34:3)",0.46260974871329091,0.18825443861103741,"Lipid LC Pos",8.1300000000000008,608.51678421052634]
["Diacylglycerol ","S10070","DG(36:4)",0.64331068285618798,6.9687563010051592E-2,"Lipid LC Pos",8.26,634.53210000000001]
["Diacylglycerol ","S10062","DG(32:1)",0.21563981042654026,0.193195902132379,"Lipid LC Pos",8.9600000000000009,584.51020000000005]
["Diacylglycerol ","S10065","DG(34:2)",0.67378680717077255,0.10064132244593899,"Lipid LC Pos",9.15,610.53229999999996]
["Diacylglycerol ","S10069","DG(36:3)",0.48200625693813703,0.1080893062795355,"Lipid LC Pos",9.2200000000000006,636.548]
["Diacylglycerol ","S10074","DG(38:4)",0.51085568326947639,2.5818311431243524E-3,"Lipid LC Pos",9.41,662.56399999999996]
["Diacylglycerol ","S10075","DG(38:4)",1.1148922129344478,0.61158719949580453,"Lipid LC Pos",9.9600000000000009,662.56370000000004]
["Diacylglycerol ","M00324","DG(32:0)",0.52315608919382506,0.2831915850032713,"Lipid LC Pos",10.039999999999999,586.52819999999997]
["Diacylglycerol ","S10064","DG(34:1)",0.54035773335337445,0.11019871529853147,"Lipid LC Pos",10.130000000000001,612.54719999999998]
["Diacylglycerol ","M00379","DG(36:2)",0.55193208430913354,0.17114810303762637,"Lipid LC Pos",10.25,638.56410000000005]
["Diacylglycerol ","S10073","DG(38:3)",0.50055518543193434,7.1173650948262002E-2,"Lipid LC Pos",10.41,664.57946491228074]
["Diacylglycerol ","S10067","DG(36:1)",0.52118644067796616,0.23141340183375403,"Lipid LC Pos",11.18,640.57799999999997]
["Diacylglycerol ","S10071","DG(38:2)",0.26384839650145775,0.17331251893436889,"Lipid LC Pos",11.21,666.60019999999997]
["Dipeptide","C00993","D-Alanyl-D-alanine",1.0487804878048781,0.85649574666260231,"Metabolite CE CA",8.7799999999999994,161.09]
["Dipeptide","M00236","Gly-Gly",0.76559204579692686,0.33797539494712325,"Metabolite LC Neg",0.75,131.0369]
["Drug or Drug metabolism","C06952","Cimetidine",1.0625,0.80508102211222488,"Metabolite LC Pos",3.64,253.12620000000001]
["Fatty Acid","C08365","Ricinoleic acid(18:1-OH)",0.81502890173410403,0.33662463611278592,"Lipid LC Neg",2.2200000000000002,297.24099999999999]
["Fatty Acid","C01530","Octadecanoic acid(18:0)",1.3679319217405175,4.3181492256414176E-2,"Lipid LC Neg",4.0599999999999996,283.2663]
["Fatty Acid","M00353","Erucic acid(22:1)",0.4127118644067797,0.2494397200298461,"Lipid LC Neg",5.07,337.30869999999999]
["Fatty Acid","M00352","Docosanoic acid(22:0)",0.78695652173913044,0.36031289699015812,"Lipid LC Neg",6.22,339.32850000000002]
["Fatty Acid","C08320","Tetracosanoic acid(24:0)",0.96999482669425763,0.82074201498886967,"Lipid LC Neg",7.5478787878787879,367.3601727272727]
["Fatty Acid","C01585","caproate(6:0)",3.0423069969264147,0.30139613062969778,"Metabolite LC Neg",6.15,115.07640000000001]
["Fatty Acid","M00044","heptanoate(7:0)",3.3795423956931359,0.36555461001999112,"Metabolite LC Neg",7.22,129.08539999999999]
["Fatty Acid","C06423","caprylate(8:0)",3.2992342430787356,0.37707770564125498,"Metabolite LC Neg",8.14,143.10708974358974]
["Fatty Acid","C01601","Nonanate(9:0)",2.5733353254644156,0.42150774994390044,"Metabolite LC Neg",8.7799999999999994,157.12260000000001]
["Fatty Acid","C01571","Capric acid(10:0)",3.5279532163742688,0.29522405719984318,"Metabolite LC Neg",9.1300000000000008,171.12921489361702]
["Fatty Acid","C13790","2-Hydroxytetradecanoic acid(14：0-OH)",0.95310596833130312,0.85074627560252303,"Metabolite LC Neg",10.220000000000001,243.19399999999999]
["Fatty Acid","M00254","5-Dodecenoate (12:1n7)",2.3004115226337452,0.28844370889321391,"Metabolite LC Neg",10.24,197.15350000000001]
["Fatty Acid","M00047","Undecanoate (11:0)",2.1075066012825348,0.35142513682147541,"Metabolite LC Neg",10.25,185.15350000000001]
["Fatty Acid","C08322","Myristoleate (14:1n5)",2.1065088757396451,0.3258624704025091,"Metabolite LC Neg",10.79,225.1816]
["Fatty Acid","C02679","Dodecanoic acid(12:0)",1.601010101010101,0.37192305860908137,"Metabolite LC Neg",10.9,199.1694]
["Fatty Acid","C17076","Tridecanoic acid",1.503426222019187,0.38018804757559471,"Metabolite LC Neg",11.48,213.18430000000001]
["Fatty Acid","S00004","Stearidonic acid (18:4)",1.0650289017341041,0.80523859071434511,"Metabolite LC Neg",11.49,275.19869999999997]
["Fatty Acid","C06428","Eicosapentaenoic acid",1.1064138978796485,0.8174789976712854,"Metabolite LC Neg",11.88,301.21620000000001]
["Fatty Acid","C06427","Linolenic acid(18:3)",0.85483217670726108,0.62169727744282155,"Metabolite LC Neg",12.02,277.21570000000003]
["Fatty Acid","C06424","Myristic acid(14:0)",1.3902673304832514,0.33629910041071059,"Metabolite LC Neg",12.18,227.20060000000001]
["Fatty Acid","C08362","Palmitoleic acid",0.68303857080699237,0.25880660531302052,"Metabolite LC Neg",12.18,253.21389166666668]
["Fatty Acid","S00008","Docosahexaenoic acid (22:6)",0.7430795411404586,0.3477815752865453,"Metabolite LC Neg",12.23,327.23239999999998]
["Fatty Acid","C16513","Docosapentaenoate (n3 DPA; 22:5n3)",0.76317326790512918,0.35955232086270728,"Metabolite LC Neg",12.23,329.23662439024389]
["Fatty Acid","C00219","Arachidonate",0.81207362115521897,0.49912322822828037,"Metabolite LC Neg",12.5,303.23219999999998]
["Fatty Acid","C00249","Palmitate(16:0)",1.6592986538141929,0.36700352634605177,"Metabolite LC Neg",12.56,255.23070000000001]
["Fatty Acid","C01595","linoleate(18:2n6)",0.7695053696819496,0.29415783116436434,"Metabolite LC Neg",12.68,279.23175000000003]
["Fatty Acid","C16537","Pentadecanoate (15:0)",1.1941401610135938,0.38558766460433502,"Metabolite LC Neg",12.69,241.21553599999999]
["Fatty Acid","M00257","Dihomo-linolenate (20:3n6)",0.59771885016025639,0.17170797682912753,"Metabolite LC Neg",13,305.24669999999998]
["Fatty Acid","C01712","Elaidic acid",0.66401380637881247,0.1056175914875056,"Metabolite LC Neg",13.4,281.24723870967739]
["Fatty Acid","C16525","Eicosadienoic acid (20:2)",0.70457988579419639,0.19402652682053839,"Metabolite LC Neg",13.54,307.26159999999999]
["Fatty Acid","M00255","Heptadecanoic acid(17:0)",1.0878010682253352,0.67076477934688294,"Metabolite LC Neg",13.72,269.24374155844157]
["Fatty Acid","M00358","Eicosenoic acid (20:1)",0.56399979706762726,0.12208492646375453,"Metabolite LC Neg",14.58,309.27769999999998]
["Fatty acid metabolism","C02678","Dodecanedioate",1.4615384615384617,0.42080374833922307,"Metabolite LC Neg",7.35,229.14519999999999]
["Glutathione metabolism","C00127","Oxidized glutathione",1.0393236335037357,0.71983876637617561,"Metabolite CE CA",11.12,613.15719999999999]
["Glutathione metabolism","M00035","Ophthalmic Acid",0.97075471698113214,0.83967004172222293,"Metabolite CE CA",11.71,290.13170000000002]
["Glutathione metabolism","C00051","Glutathione",0.48713824400029354,5.2191221206098731E-2,"Metabolite CE CA",11.72,308.09109999999998]
["Glycerophospholipid metabolism","C06772","Diethanolamine",1.4609164420485174,0.39057520353519676,"Metabolite CE CA",7.63,106.0879]
["Glycerophospholipid metabolism","C00307","Cytidine 5'-diphosphocholine",0.72384286269933884,6.8178291899348722E-2,"Metabolite CE CA",15.05,489.10169999999999]
["Glycine, Serin metabolism","C00114","Choline",1.2550144149186064,0.40433945948646144,"Metabolite CE CA",6.8,104.10496176470588]
["Glycine, Serin metabolism","C01026","N,N-Dimethylglycine",0.86078557630392782,0.59461978782911662,"Metabolite CE CA",10.28,104.07769999999999]
["Glycine, Serin metabolism","C00719","Betaine",1.1681158089104351,0.54424821628366016,"Metabolite CE CA",10.47,118.08750000000001]
["Glycine, Serin metabolism","C00979","O-Acetyl-L-serine",0.75504322766570597,0.12846074161698048,"Metabolite CE CA",15.5,148.06809999999999]
["Glycine, Serin metabolism","C01005","3-Phosphoserine",1.0437109723461195,0.84987157001236135,"Metabolite LC Neg",0.74,183.98840000000001]
["Glycine, Serin metabolism","C00109","2-Oxobutanoate",1.0343736819907212,0.91703724082768212,"Metabolite LC Neg",0.75,101.0249]
["Glycine, Serin metabolism","C00258","D-Glycerate",1.4767096134786919,0.45582034119439896,"Metabolite LC Neg",0.8,105.02719999999999]
["Glycine, Serin metabolism","M00221","Isovalerylglycine",0.66800643086816713,1.496738709230673E-2,"Metabolite LC Neg",1.88,158.0812]
["Glycine, Serin metabolism","C12147","L-Threonine phosphate",1.0139248146232109,0.96681548090212233,"Metabolite LC Pos",0.59705882352941175,200.04349411764704]
["Glycolysis","C00186","L-Lactic acid",0.79393398751115074,0.23659762160657757,"Metabolite CE AN",12.08,89.025599999999997]
["Glycolysis","C00093","Glycerol-3-phosphate",0.90978354104647052,0.1725513175090492,"Metabolite CE AN",13.07,171.00739999999999]
["Glycolysis","C00074","Phosphoenolpyruvate",0.74117647058823533,0.29854900380064309,"Metabolite CE AN",17.82,166.98859999999999]
["Glycolysis","C00022","Pyruvate",1.0399829859634198,0.91553411029375265,"Metabolite LC Neg",0.73,87.022300000000001]
["Glycolysis","C00111","Glycerone phosphate",1.7369062119366625,0.40065448724399244,"Metabolite LC Neg",0.77,169.00630000000001]
["Glycolysis","M00171","2-3-Diphospho-D-glyceric acid",1.4798245614035088,0.45044644028626801,"Metabolite LC Neg",1.1599999999999999,264.95080000000002]
["Histidine metabolism","C00388","Histamine",0.47941582336706534,6.865090545145465E-2,"Metabolite CE CA",4.87,112.0874]
["Histidine metabolism","C01152","1-Methylhistidine",1.0044715447154471,0.9735642198970984,"Metabolite CE CA",7.56,170.09630000000001]
["Histidine metabolism","C05828","Methylimidazoleacetic acid",0.41949269368624209,4.9546141434775714E-3,"Metabolite CE CA",7.79,141.0822]
["Histidine metabolism","C00785","Urocanic acid",1.5336787564766841,0.23078200268251514,"Metabolite CE CA",8.08,139.05690000000001]
["Histidine metabolism","C05570","Ergothioneine",1.0426477121279432,0.85961029908142172,"Metabolite CE CA",13.76,231.10149999999999]
["Lipid metabolism","M00146","Allocholic Acid",0.93333333333333335,0.86917505668151152,"Metabolite CE AN",8.93,407.27859999999998]
["Lipid metabolism","C07599","Oxypurinol",1.3129424335514892,2.4815117933816147E-2,"Metabolite CE AN",10.67,151.02719999999999]
["Lipid metabolism","M00179","3-Hydroxyoctanoic acid",1.2516297262059974,0.53023910331042745,"Metabolite LC Neg",5.93,159.10059999999999]
["Lipid metabolism","M00180","3-Hydroxydecanoic acid",1.2772479564032697,0.62737736487671536,"Metabolite LC Neg",7.6,187.12548431372548]
["Lipid metabolism","M00053","Abietic acid",1.2449888641425391,0.57030902807054518,"Metabolite LC Neg",12.51,301.21480000000003]
["Lipid metabolism","M00241","9-Octadecenamide",2.237373737373737,0.38806491218057798,"Metabolite LC Pos",12.03,282.274]
["Lysine metabolism","C00318","L-Carnitine",0.89849747895385013,0.38217623314296445,"Metabolite CE CA",8.2100000000000009,162.1138]
["Lysine metabolism","C12989","N2-Acetyl-L-lysine",0.80485115766262416,0.19332070942807233,"Metabolite CE CA",9.4700000000000006,189.12110000000001]
["Lysine metabolism","C00449","N6-(L-1,3-Dicarboxypropyl)-L-lysine",0.6755050505050505,0.22804713039030813,"Metabolite CE CA",10.19,277.14150000000001]
["Lysine metabolism","C02727","N6-Acetyl-L-lysine",0.59060402684563762,1.8869040542022233E-2,"Metabolite CE CA",10.65,189.11680000000001]
["Lysine metabolism","C00408","L-Pipecolate",2.1838391180568175,0.31120525041135083,"Metabolite LC Pos",0.74,130.06743037974684]
["Lyso PC","S00010","1-Myristoylglycerophosphocholine(14:0)",1.4885892116182573,0.35977861499826819,"Metabolite LC Pos",8.91,468.30709999999999]
["Lyso PC","S00012","1-Palmitoleoylglycerophosphocholine(16:1)",0.94665766374071558,0.76657333276322437,"Metabolite LC Pos",9.31,494.32177307692308]
["Lyso PC","S00017","1-Arachidonoylglycerophosphocholine(20:4)",0.81624896029597038,0.33439486616826308,"Metabolite LC Pos",9.57,544.34139230769233]
["Lyso PC","C04102","1-Palmitoylglycerophosphocholine(16:0)",1.0096063086205866,0.95561952935154926,"Metabolite LC Pos",9.8000000000000007,496.33539999999999]
["Lyso PC","S00024","1-Pentadecanoyl-glycero-3-phosphocholine(15:0)",0.98414109974803621,0.93641780749535575,"Metabolite LC Pos",10.35,482.34313975903615]
["Lyso PC","S00025","1-Heptadecanoyl-glycero-3-phosphocholine (17:0)",0.91766840553413476,0.42413898654941862,"Metabolite LC Pos",10.53,510.35129999999998]
["Lyso PE","S10129","Lyso PE(18:1)",0.97968885047536725,0.84343971974740184,"Lipid LC Pos",2.57,480.29610000000002]
["Lyso PE","S10128","Lyso PE(18:0)",1.2947352519072439,5.9647983486177461E-3,"Lipid LC Pos",3,482.3168]
["Monoacylglycerol","M00165","1-Stearoyl-rac-glycerol",1.1689142268174058,0.54943076106730904,"Metabolite LC Neg",13.67,417.32010000000002]
["Monoacylglycerol","M00288","1-Palmitoylglycerol (1-monopalmitin)",1.0587309196417309,0.61157973349002259,"Metabolite LC Pos",12.57,331.28315352112674]
["Nicotinate and Ncotinamide metabolism","C00003","NAD+",1.0471698113207548,0.68607650101085627,"Metabolite CE AN",8.6999999999999993,662.10029999999995]
["Nicotinate and Ncotinamide metabolism","C00006","NADP+",1.1849173553719008,0.15628988452557666,"Metabolite CE AN",11.12,742.06769999999995]
["Nicotinate and Ncotinamide metabolism","C00153","Nicotinamide",0.95135521903500708,0.68781434694132204,"Metabolite CE CA",7.38,123.0697]
["Nicotinate and Ncotinamide metabolism","C15987","4-Methylaminobutyrate",1.234192037470726,0.46741381473496846,"Metabolite LC Neg",0.75,116.0716]
["Nicotinate and Ncotinamide metabolism","C01020","6-Hydroxynicotinate",1.5251572327044025,8.7432424308900636E-2,"Metabolite LC Neg",0.89,138.03139999999999]
["Nicotinate and Ncotinamide metabolism","C00253","Nicotinate",1.1556683587140442,0.6211541474959229,"Metabolite LC Pos",0.74,124.02330000000001]
["Nicotinate and Ncotinamide metabolism","C02918","1-Methylnicotinamide",1.6522770398481974,0.53336441879433272,"Metabolite LC Pos",0.84,137.07857391304347]
["Nucleotide metabolism","C00004","NADH",1.2878787878787878,0.47610521951409535,"Metabolite CE AN",10.050000000000001,664.1155]
["Nucleotide metabolism","C02494","1-Methyladenosine",1.2096219931271477,6.6665503289289316E-2,"Metabolite CE CA",9.5115625000000001,282.12106875000001]
["Nucleotide metabolism","M00313","3-Methylcytidine",0.93817298817738326,0.88877114643171296,"Metabolite LC Pos",0.73,258.1096]
["Nucleotide metabolism","M00261","N4-Acetylcytidine",1.4642144282862846,0.15651737768040369,"Metabolite LC Pos",0.91,286.09140000000002]
["Nucleotide metabolism","M00310","N2,N2-Dimethylguanosine",1.2615384615384613,0.31800281662773494,"Metabolite LC Pos",1.25,312.14010000000002]
["Organic acid","C06104","Adipic acid",0.77031717534410538,0.1105091717218708,"Metabolite LC Neg",1.39,145.05279999999999]
["Organic acid","C01984","Mandelate",1.1615439599714081,0.49988207731395473,"Metabolite LC Neg",1.55,151.02520000000001]
["Organic acid","C01606","Phthalic acid",1.5,0.54838071243944486,"Metabolite LC Neg",1.98,165.0222]
["Organic acid","C03264","2-Hydroxy-4-methylpentanoate",1.2294973544973544,0.5638690632363037,"Metabolite LC Neg",2.4500000000000002,131.0694]
["Unclassified ","S10211","PC(40:8)",0.7359044515494344,9.3994715160780132E-2,"Lipid LC Pos",5.84,830.56150000000002]
["Unclassified ","S10205","PC(40:7)",0.80387931034482762,0.19326476651452129,"Lipid LC Pos",5.84,832.56730000000005]
["Unclassified ","S10208","PE(38:6)",0.7441860465116279,0.15981886213225782,"Lipid LC Pos",5.92,764.5077]
["Unclassified ","S10148","PC(38:5)",0.86487720621811026,0.19578907293836625,"Lipid LC Pos",7.13,808.57730000000004]
["Unclassified ","S10149","PC(40:8)",0.90904656774657289,0.58971988507704487,"Lipid LC Pos",7.16,830.55939999999998]
["Unclassified ","S10202","PC(38:4)",0.77548460661345497,0.22722518855837456,"Lipid LC Pos",7.6177419354838705,810.59083870967743]
["Unclassified ","S10152","PC(40:5)",0.95100318418704066,0.58376976321650798,"Lipid LC Pos",8.2799999999999994,836.60709999999995]
["Unclassified ","S10207","PC(40:4)",0.96965419901199723,0.78688086445657401,"Lipid LC Pos",8.75,838.61410000000001]
["Unclassified ","S10164","TG(50:5)",1.8881789137380192,4.3376084338974011E-2,"Lipid LC Pos",14.14,842.71479999999997]
["Unclassified ","S10168","TG(52:6)",0.29577464788732394,0.41785966446992234,"Lipid LC Pos",14.5,868.73]
["Unclassified ","S10180","TG(56:6)",0.32543082928687039,0.42424888248420078,"Lipid LC Pos",16.190000000000001,924.79449999999997]
["Unclassified ","S10187","TG(58:7)",0.45304422745548534,0.44781128012758903,"Lipid LC Pos",16.21,950.81079999999997]
["Unclassified ","S10188","TG(58:6)",0.51646395728270544,0.43274989374063016,"Lipid LC Pos",16.9878,952.83485799999994]
["Unclassified ","S10181","TG(56:4)",0.67572463768115942,0.5892435162484424,"Lipid LC Pos",17.23,928.82799999999997]
["Unclassified ","S10143","TG(56:1)",1.4432432432432434,0.41351544905412141,"Lipid LC Pos",19.22,934.88549999999998]
["Pentose phosphate pathway","C00257","D-Gluconic acid",0.71108169145705169,6.1726207352188082E-2,"Metabolite CE AN",10.07,195.05189999999999]
["Pentose phosphate pathway","C05382","D-Sedoheptulose 7-phosphate",0.40040106951871657,2.7989616785322701E-2,"Metabolite CE AN",11.28,289.03210000000001]
["Pentose phosphate pathway","C00085","D-Fructose 6-phosphate",0.81632653061224503,0.15914318803744615,"Metabolite CE AN",11.67,259.0213]
["Pentose phosphate pathway","C00117","D-Ribose 5-phosphate",0.7758988671810868,4.1714282494512901E-2,"Metabolite CE AN",12.16,229.01004736842106]
["Pentose phosphate pathway","C00345","6-Phospho-D-gluconate",2.6396226415094342,0.33648933194116731,"Metabolite LC Neg",0.74,275.01510000000002]
["Phenylalanine Tyrosine metabolism","C05607","Phenyllactate",1.0166880616174583,0.87983289930206876,"Metabolite CE AN",10.49,165.0395]
["Phenylalanine Tyrosine metabolism","C01161","3,4-Dihydroxyphenylacetate",0.89043540328336901,0.56777337700532748,"Metabolite CE CA",15.04,186.0847]
["Phenylalanine Tyrosine metabolism","C05582","Homovanillate",0.68361581920903958,0.17869820790327509,"Metabolite CE CA",15.25,200.10560000000001]
["Phenylalanine Tyrosine metabolism","C00544","Homogentisate",1.081441922563418,0.49521158892948236,"Metabolite CE CA",15.34,169.04499999999999]
["Phenylalanine Tyrosine metabolism","C03672","3-(4-Hydroxyphenyl)lactate",0.73305084745762705,0.19805908418786453,"Metabolite LC Neg",1.37,181.0532]
["Phenylalanine Tyrosine metabolism","C01586","Hippuric acid",0.82927771340285816,0.46422759529524971,"Metabolite LC Neg",1.99,178.0498]
["Phenylalanine Tyrosine metabolism","C00156","4-Hydroxybenzoate",0.89878542510121462,0.75607482872322695,"Metabolite LC Neg",2.2200000000000002,137.03200000000001]
["Phenylalanine Tyrosine metabolism","C05593","3-Hydroxyphenylacetate",0.91031390134529155,0.69339786547113946,"Metabolite LC Neg",2.84,151.03270000000001]
["Phenylalanine Tyrosine metabolism","C05598","Phenylacetylglycine",0.79055165196591426,0.29511855846948587,"Metabolite LC Neg",2.84,192.06435666666667]
["Phenylalanine Tyrosine metabolism","C03519","N-Acetyl-L-phenylalanine",0.95887110652211316,0.83005660384781066,"Metabolite LC Neg",3.65,206.08080000000001]
["Phenylalanine Tyrosine metabolism","C01198","3-(2-Hydroxyphenyl)propionic acid",1.9473684210526316,0.36819972076024643,"Metabolite LC Neg",5.21,165.04079999999999]
["Phenylalanine Tyrosine metabolism","C00180","Benzoate",2.0676691729323307,0.28995053047208752,"Metabolite LC Neg",5.23,121.03119545454545]
["Phenylalanine Tyrosine metabolism","C05629","3-Phenylpropionate (hydrocinnamate)",2.15625,0.37817388276462527,"Metabolite LC Neg",6.22,149.066]
["Phenylalanine Tyrosine metabolism","M00286","γ-Glutamylphenylalanine",0.99007092198581559,0.95346512357408419,"Metabolite LC Pos",1.41,295.12630000000001]
["Phenylalanine Tyrosine metabolism","C05620","N-Acetyl-D-phenylalanine",1.2754098360655737,0.15922972417055931,"Metabolite LC Pos",3.9,208.09304666666665]
["Phenylpropanoid","C00903","Cinnamic aldehyde",0.82889480692410111,0.22530361357018905,"Metabolite CE CA",15.310175438596492,133.07662894736842]
["Phenylpropanoid","C01494","trans-4-Hydroxy-3-methoxycinnamate",1.2010050251256283,0.35436694575357575,"Metabolite LC Neg",4.3849999999999998,193.04435000000001]
["Phenylpropanoids","C10545","Arctigenin",0.6322241681260945,5.3119291669155987E-2,"Metabolite LC Neg",7.38,371.15449999999998]
["Phosphatidyl inositol","M00479","16:0 PI",0.85468750000000004,0.26708658002833069,"Lipid LC Pos",5.76,811.5222097560976]
["Phosphatidylcholine","S10097","PC(36:4)",0.7954186136387591,0.26035191596097362,"Lipid LC Pos",6.56,782.5616]
["Phosphatidylcholine","S10096","PC(36:3)",0.77649588337091602,0.17231394682046206,"Lipid LC Pos",7.51,784.57659999999998]
["Phosphatidylcholine","S10104","PC(38:3)",0.95273695327558761,0.5549207282914036,"Lipid LC Pos",8.19,812.5992]
["Phosphatidylcholine","S10094","PC(36:2)",1.051309409253472,0.64974568403588773,"Lipid LC Pos",8.6199999999999992,786.59320000000002]
["Phosphatidylcholine","S10114","PC(40:4)",0.81729503754741806,1.5860845427921612E-3,"Lipid LC Pos",9.14,838.62379999999996]
["Phosphatidylethanolamine","S10133","PE(32:2)",1.1294964028776979,0.63867795795995863,"Lipid LC Pos",6.19,688.4914]
["Phosphatidylethanolamine","M00418","PE(36:4)",1.1473480202656896,0.1649343132281694,"Lipid LC Pos",6.96,740.5145]
["Phosphatidylethanolamine","S10132","PE(32:1)",1.0397489539748952,0.76067215548816813,"Lipid LC Pos",7.12,690.49590000000001]
["Phosphatidylethanolamine","S10136","PE(34:2)",1.1247661118432826,0.20462867144641259,"Lipid LC Pos",7.3,716.5145]
["Phosphatidylethanolamine","M00420","PE(40:6)",1.1511534864202624,7.7197735814695814E-2,"Lipid LC Pos",7.75,792.54660000000001]
["Phosphatidylethanolamine","M00419","PE(38:4)",1.1192247631198899,0.42266511799862305,"Lipid LC Pos",8.11,768.54660000000001]
["Phosphatidylethanolamine","M00412","PE(32:0)",1.1291989664082687,0.53859048140755195,"Lipid LC Pos",8.17,692.52239999999995]
["Phosphatidylethanolamine","M00421","PE(C16/18:1)",0.74520547945205484,0.23839877667394266,"Lipid LC Pos",9.08,704.55229999999995]
["Phosphatidylethanolamine","S10134","PE(34:0)",1.0156950672645741,0.93721697983058994,"Lipid LC Pos",9.1199999999999992,720.56690000000003]
["Phosphatidylethanolamine","M00414","PE(36:0)",0.73410404624277459,0.13269707736391101,"Lipid LC Pos",10.42,748.58]
["Phosphonate and phosphinate metabolism","C03557","Ciliatine",0.99860953754248638,0.99653474773843687,"Metabolite LC Neg",0.75,124.0078]
["Phosphonate and phosphinate metabolism","C00009","Phosphate",1.77318764815273,0.37999247138507464,"Metabolite LC Neg",0.78,96.969700000000003]
["Phosphonate and phosphinate metabolism","C00013","Pyrophosphate",2.9905165959570752,0.32909797412751174,"Metabolite LC Neg",0.81,176.9331]
["Plant metabolites","C04083","6-gamma-gamma-dimethylallyl-amino-purine",0.89654881586937463,0.44996961573776884,"Metabolite CE CA",8.77,204.12360000000001]
["Plant metabolites","C06082","Abscisate",1.2962962962962963,0.55306716249812138,"Metabolite LC Pos",5.85,265.14569999999998]
["Polyamine","C00750","Spermine",2.1029090909090913,0.3926000818474904,"Metabolite CE CA",4.5,203.21719999999999]
["Polyamine","C00315","Spermidine",1.2833909038572251,0.52824204771721339,"Metabolite CE CA",4.59,146.166]
["Polyamine","C01672","1,5-Diaminopentane",2.8166666666666669,0.36892194379400756,"Metabolite LC Pos",0.78,103.11200303030303]
["Prostaglandins","C00584","Prostaglandin E2",1.2139303482587065,0.18777903584292943,"Metabolite CE AN",9.0399999999999991,351.2167]
["Purine metabolism","C01762","Xanthosine",1.2348484848484849,0.36631336918461699,"Metabolite CE AN",9.51,283.06959999999998]
["Purine metabolism","C02350","(S)(+)-Allantoin",0.80222222222222217,0.24511433471724289,"Metabolite CE AN",9.9504545454545461,157.03113409090909]
["Purine metabolism","C00301","ADP-ribose",0.46101694915254243,0.28513259376716366,"Metabolite CE AN",10.32,558.06439999999998]
["Purine metabolism","C00366","Urate",0.98835443037974668,0.92482012873668618,"Metabolite CE AN",11.03,167.0187]
["Purine metabolism","C00144","GMP",0.87260034904013961,0.64032600121549854,"Metabolite CE AN",12.11,362.0478]
["Purine metabolism","C00008","ADP",0.96097814776274715,0.76770540692311051,"Metabolite CE AN",12.25,426.02050000000003]
["Purine metabolism","C00002","ATP",0.73783783783783785,1.1430774320524452E-2,"Metabolite CE AN",12.74,505.988]
["Purine metabolism","C00130","IMP",0.32998324958123953,0.32487511020172033,"Metabolite CE AN",12.84,347.03750000000002]
["Purine metabolism","C00035","GDP",0.93913043478260871,0.54087095533939245,"Metabolite CE AN",13.02,442.01609999999999]
["Purine metabolism","C00054","Adenosine 3',5'-bisphosphate",0.83996994740796393,0.41841112576819089,"Metabolite CE AN",13.94,426.01949999999999]
["Purine metabolism","C03794","N6-(1,2-Dicarboxyethyl)-AMP",0.49374999999999997,0.1432687159640357,"Metabolite CE AN",13.99,462.06689999999998]
["Purine metabolism","C00212","Adenosine",1.3770409022050161,0.19771040257204428,"Metabolite CE CA",9.43,268.1037]
["Purine metabolism","C00262","Hypoxanthine",1.2375694335124925,0.34666770928303059,"Metabolite CE CA",10.39,137.04589999999999]
["Purine metabolism","C00385","Xanthine",1.6829256363496621,5.6741550938560648E-2,"Metabolite LC Neg",0.85,151.02590000000001]
["Purine metabolism","C00575","3',5'-Cyclic AMP",0.70669291338582674,1.1173661432904028E-2,"Metabolite LC Neg",1.1011111111111112,328.05875555555554]
["Purine metabolism","C00387","Guanosine",1.351372146704283,0.48445197886520008,"Metabolite LC Pos",0.68,284.0958]
["Purine metabolism","C01367","3'-AMP",1.8919200927494875,0.39069315959607231,"Metabolite LC Pos",0.83,348.06909999999999]
["Purine metabolism","C00942","3',5'-Cyclic GMP",0.57320099255583123,0.21642110686598773,"Metabolite LC Pos",1.1200000000000001,346.0505]
["Purine metabolism","C00559","Deoxyadenosine",1.1855541718555416,0.42692832511740431,"Metabolite LC Pos",1.45,252.11142807017544]
["Pyrimidine metabolism","C00055","CMP",0.95512820512820518,0.71307295433114093,"Metabolite CE AN",11.24,322.04329999999999]
["Pyrimidine metabolism","C00029","UDP-glucose",0.86999999999999988,0.60530584976648261,"Metabolite CE AN",11.44,565.04629999999997]
["Pyrimidine metabolism","C00380","Cytosine",1.3313953488372092,0.2394087787128546,"Metabolite CE CA",7.12,112.04640000000001]
["Pyrimidine metabolism","C00475","Cytidine",1.4529582929194957,2.0410562104307091E-2,"Metabolite CE CA",9.26,244.09119999999999]
["Pyrimidine metabolism","C00299","Uridine",0.91718021944987227,0.67307956473866648,"Metabolite CE CA",15.31,245.08809491525423]
["Pyrimidine metabolism","C00106","Uracil",0.78304727491719361,0.17742830636768464,"Metabolite CE CA",15.38,113.0369]
["Pyrimidine metabolism","C00015","UDP (Uridine 5'-diphosphate)",3.0722528482175671,0.28761681201469691,"Metabolite LC Neg",0.69,402.99759999999998]
["Pyrimidine metabolism","C00105","UMP",1.4265947705768642,0.59894102292505602,"Metabolite LC Neg",0.77,323.0249]
["Pyrimidine metabolism","M00023","5'-CMP",2.4162790697674414,0.3900726267186036,"Metabolite LC Neg",0.79,322.05239999999998]
["Pyrimidine metabolism","C00295","Orotate",1.6398514851485151,0.4093394030252086,"Metabolite LC Neg",0.81,155.0034]
["Pyrimidine metabolism","C02170","Methylmalonate",1.2959338722421443,0.70819776774095744,"Metabolite LC Neg",0.84,117.0192]
["Pyrimidine metabolism","C01013","Hydroxypropionic acid",1.1673003802281368,0.7293636224964879,"Metabolite LC Pos",0.79,91.049199999999999]
["Pyrimidine metabolism","C02067","Pseudouridine",1.3171417101565637,0.54473809310706334,"Metabolite LC Pos",0.95,245.08189999999999]
["Pyrimidine metabolism","C00178","Thymine",1.1141498216409036,0.80435225092351303,"Metabolite LC Pos",1.21,127.05988448275862]
["Pyruvate metabolism","C03451","(R)-S-Lactoylglutathione",0.79255319148936165,0.25484130299550856,"Metabolite CE CA",12.01,380.11169999999998]
["Pyruvate metabolism","C03248","Acetylenedicarboxylate",1.2827134467700649,0.43253108331717871,"Metabolite LC Neg",0.74,173.00161]
["SphingoLipids","C00346","Phosphoethanolamine",0.91256281407035178,0.56918545377789842,"Metabolite CE AN",10.37,140.01300000000001]
["SphingoLipids","C00319","D-Sphingosine",1.1986851716581446,0.5307941048310052,"Metabolite LC Pos",8.6199999999999992,300.28559999999999]
["Steroids","C18043","Cholesterol sulfate",1.0419417475728154,0.75646158128425534,"Lipid LC Neg",3.49,465.30689999999998]
["Steroids","C05141","Estriol",1.8202443280977314,0.21573259075831183,"Metabolite LC Neg",5.9512499999999999,287.15559999999999]
["Steroids","C00762","Cortisone",1.687272727272727,0.44817652235777444,"Metabolite LC Neg",6.46,359.1755]
["Steroids","C01921","Glycocholate",1.2707916390806773,0.36605616124589846,"Metabolite LC Neg",7.09,464.30059999999997]
["Steroids","M00242","α-Muricholic acid",0.58276725062567036,3.3543359936732069E-2,"Metabolite LC Neg",7.22,407.27749999999997]
["Steroids","M00243","β-Muricholic acid",0.66229401561144841,0.27726255645073777,"Metabolite LC Neg",7.47,467.29809999999998]
["Steroids","C03747","11α-Hydroxy Progesterone",0.51486550259556396,2.0729313248889429E-2,"Metabolite LC Neg",7.57,329.22269999999997]
["Steroids","C00951","Estradiol",2.1204188481675392,0.26021327345538026,"Metabolite LC Neg",7.7847297297297295,271.16262837837837]
["Steroids","C05463","Taurodeoxycholic acid",0.5931984132621968,0.17702249999363645,"Metabolite LC Neg",7.85,498.2876]
["Steroids","C07880","Ursodeoxycholic acid, Ursodiol",0.8125,0.71189433241919653,"Metabolite LC Neg",8.24,451.30169999999998]
["Steroids","C04483","Deoxycholate",0.60807050092764381,0.12592371630211729,"Metabolite LC Neg",9.25,391.28280000000001]
["Steroids","C04042","20α-Hydroxyprogesterone",1.6785714285714284,0.1378810942295367,"Metabolite LC Neg",10.8,315.24009999999998]
["Steroids","M00467","16-Epiestriol",1.69009900990099,0.45049660522835683,"Metabolite LC Pos",6.37,306.19080000000002]
["Steroids","C00735","Cortisol",0.91839270919635463,0.71856970887953509,"Metabolite LC Pos",6.51,363.22070000000002]
["Steroids","C02140","Corticosterone",0.60386473429951693,0.27884244494672111,"Metabolite LC Pos",7.03,347.21980000000002]
["Steroids","C00535","Testosterone",2.1198568872987478,0.27179949281862376,"Metabolite LC Pos",7.82,289.22289999999998]
["Steroids","C08902","Hecogenin",1.402439024390244,0.24852387489933625,"Metabolite LC Pos",10.79,431.33033636363638]
["Sterol metabolism","C00187","Cholesterol",1.022965879265092,0.69486293482283856,"Lipid LC Pos",7.59,369.34379999999999]
["Sterol metabolism","M00216","CE(14:0)",1.6028997080328402,0.13718589384072746,"Lipid LC Pos",16.82,369.34280000000001]
["Sterol metabolism","C11251","CE(16:0)",1.5020262906960906,0.32874076878360786,"Lipid LC Pos",17.66,369.3426]
["Sterol metabolism","M00213","CE(18:0)",0.49880564603691635,0.55731656873187052,"Lipid LC Pos",18.52,369.34870000000001]
["Sterol metabolism","C16868","Tauroursodeoxycholic acid",0.52483557277165804,0.12033359396086865,"Metabolite LC Neg",6.73,498.286]
["Sterol metabolism","C05464","Glycodeoxycholate",0.58963074604370758,4.3324282818421427E-2,"Metabolite LC Neg",7.92,448.30489830508475]
["Sterol metabolism","C00695","Cholic acid",3.1145562569624956,0.19625795500048779,"Metabolite LC Neg",7.97,407.27789999999999]
["Sterol metabolism","C05290","19-Hydroxyandrostenedione",1.7968015051740358,0.25265178478476125,"Metabolite LC Pos",6.38,303.1936]
["Sugar","C00221","beta-D-Glucose",0.59708272255098893,0.21292592091657517,"Metabolite CE AN",7.56,179.05719999999999]
["Sugar","C01235","Galactinol",0.40099999999999997,0.15402449534667509,"Metabolite CE AN",7.56,341.10419999999999]
["Sugar","C00645","N-Acetyl-D-Mannosamine",1.342760180995475,0.12276445586593511,"Metabolite CE AN",7.6,220.10050000000001]
["Sugar","C02013","Cellotetraose",0.25631768953068595,0.30035708044376325,"Metabolite LC Neg",0.65,665.20180000000005]
["Sugar","C01835","Maltotriose",0.27441285537700866,0.17995565069851968,"Metabolite LC Neg",0.66,503.14359999999999]
["Sugar","C00243","Lactose",0.42587832047986285,0.15344841155900976,"Metabolite LC Neg",0.67,341.0933]
["Sugar","C02045","L-Erythrulose",1.0646517494277572,0.86625263125012597,"Metabolite LC Neg",0.68,119.0351]
["Sugar","C00121","D-Ribose",0.76796407185628746,0.50007024656353427,"Metabolite LC Neg",0.69,149.04519999999999]
["Sugar","C00962","β-D-Galactose",0.79331974282578011,0.49128583781853719,"Metabolite LC Neg",0.72,179.05549999999999]
["Sugar","C00794","D-Sorbitol",1.3412526997840173,0.48404674910703027,"Metabolite LC Neg",0.72,181.0677]
["Sugar","C00333","D-Galacturonate",1.0607734806629834,0.88360527922808074,"Metabolite LC Neg",0.74,193.02090000000001]
["Sugar","C00392","D-Mannitol",1.9019607843137254,0.42758698112386118,"Metabolite LC Pos",0.57999999999999996,183.09829999999999]
["Sugar","M00234","Glucosamine",1.3041509433962264,0.72034552258440154,"Metabolite LC Pos",0.71,180.08699999999999]
["Sugar","C00208","Maltose",0.63210702341137126,0.37830250286034661,"Metabolite LC Pos",0.76,360.1413]
["Sugar metabolism","C00357","N-acetylglucosamine 6-phosphate",0.74953036944270501,8.809141846273176E-2,"Metabolite CE AN",11.075593220338982,300.04985762711863]
["Sugar metabolism","C00043","UDP-N-acetylglucosamine",0.43474306502955889,3.179992296246107E-2,"Metabolite CE AN",11.24,606.07259999999997]
["Sugar metabolism","C00577","D-Glyceraldehyde",0.71706062187756325,0.36131409445609763,"Metabolite LC Neg",0.74,89.025300000000001]
["Sugar metabolism","C00128","CMP-N-acetylneuraminate",1.8779889080825527,0.44292347506384144,"Metabolite LC Pos",0.84,615.16189999999995]
["Taurine and hypotaurine metabolism ","C00519","Hypotaurine",0.47379310344827585,0.17614023293095302,"Metabolite CE CA",14.11,110.0305]
["Taurine and hypotaurine metabolism ","C05123","Isethionate",1.1752106741573034,0.79204429353512507,"Metabolite LC Neg",0.94,124.9969]
["Taurine and hypotaurine metabolism ","C05122","Taurocholate",1.5384173126857736,3.1149371908164421E-2,"Metabolite LC Neg",6.96,514.28340000000003]
["Taurine and hypotaurine metabolism ","C01959","Taurocyamine",2.3423710792131844,0.2332108107733156,"Metabolite LC Pos",0.62,169.0581]
["Triacylglycerol","S10023","TG(52:6)",0.28554143980641256,0.42553339395740675,"Lipid LC Pos",13.83,868.73080000000004]
["Triacylglycerol","S10051","TG(58:10)",1.0294200359097498,0.93395634550349726,"Lipid LC Pos",13.91,944.76289999999995]
["Triacylglycerol","S10035","TG(54:7)",0.31856540084388185,0.43433153668508695,"Lipid LC Pos",13.93,894.74580000000003]
["Triacylglycerol","S10036","TG(54:7)",1.1914311759343665,0.67890572441882036,"Lipid LC Pos",14.37,894.7473]
["Triacylglycerol","S10009","TG(50:4)",0.12469344754930743,0.37821538753891382,"Lipid LC Pos",14.45,844.73109999999997]
["Triacylglycerol","S10004","TG(48:3)",6.5287915652879155E-2,0.35671666359571846,"Lipid LC Pos",14.53,818.71219565217393]
["Triacylglycerol","S10033","TG(54:6)",0.27301284664993597,0.41595216581379935,"Lipid LC Pos",14.6,896.76250000000005]
["Triacylglycerol","S10050","TG(56:8)",1.3812943549007837,0.11512413015336932,"Lipid LC Pos",14.63,920.76250000000005]
["Triacylglycerol","S10061","TG(58:9)",0.90002616773518251,0.7923763265061079,"Lipid LC Pos",14.65,946.77869999999996]
["Triacylglycerol","S10016","TG(51:4)",0.28251139833521566,0.39871367001792735,"Lipid LC Pos",14.85,858.74630000000002]
["Triacylglycerol","S10048","TG(56:7)",0.808313623990361,0.69280171333195872,"Lipid LC Pos",14.98,922.77809999999999]
["Triacylglycerol","S10059","TG(58:8)",0.46610311549606076,0.4464475320075233,"Lipid LC Pos",14.99,948.79319999999996]
["Triacylglycerol","S10034","TG(54:6)",1.1383571037615368,0.65775006457680663,"Lipid LC Pos",15.01,896.76239999999996]
["Triacylglycerol","M00399","TG(52:4)",0.83534842096411888,0.72427375008335948,"Lipid LC Pos",15.3,872.76319999999998]
["Triacylglycerol","M00401","TG(54:5)",0.3590632215080809,0.41543151530057387,"Lipid LC Pos",15.32,898.77850000000001]
["Triacylglycerol","S10049","TG(56:7)",1.2445204332537212,0.29003788354877341,"Lipid LC Pos",15.38,922.77809999999999]
["Triacylglycerol","S10014","TG(51:3)",0.16305740645822656,0.37425208372015584,"Lipid LC Pos",15.53,860.76170000000002]
["Triacylglycerol","S10057","TG(58:7)",0.42888300358311265,0.43983436492365607,"Lipid LC Pos",15.62,950.80769999999995]
["Triacylglycerol","S10021","TG(52:4)",0.52731045727414205,0.49179305223694381,"Lipid LC Pos",15.73,872.76199999999994]
["Triacylglycerol","S10032","TG(54:5)",0.7699259259259259,0.63000540942428174,"Lipid LC Pos",15.74,898.77779999999996]
["Triacylglycerol","S10047","TG(56:6)",0.66986303427146854,0.53020722889093908,"Lipid LC Pos",15.76,924.79399999999998]
["Triacylglycerol","M00402","TG(52:3)",0.76875946596291023,0.61357218293665516,"Lipid LC Pos",16.02,874.77909999999997]
["Triacylglycerol","S10029","TG(54:4)",0.33434963379003052,0.40356747238743412,"Lipid LC Pos",16.05,900.7944]
["Triacylglycerol","S10046","TG(56:5)",1.191692654767434,0.57109895790438814,"Lipid LC Pos",16.32,926.80939999999998]
["Triacylglycerol","S10012","TG(51:2)",0.11113377814045025,0.370146486540189,"Lipid LC Pos",16.399999999999999,862.77539999999999]
["Triacylglycerol","M00386","TG(50:1)",0.17451371892309675,0.36114648715163367,"Lipid LC Pos",16.649999999999999,850.77819999999997]
["Triacylglycerol","M00397","TG(52:2)",0.38044254738180405,0.4117911291743408,"Lipid LC Pos",16.72,876.79409999999996]
["Triacylglycerol","M00339","TG(48:0)",0.13367287186959539,0.35081580775151294,"Lipid LC Pos",16.77,824.76179999999999]
["Triacylglycerol","S10044","TG(56:4)",0.20562296424693804,0.40102312758657671,"Lipid LC Pos",16.79,928.8252]
["Triacylglycerol","S10010","TG(51:1)",7.961800383060226E-2,0.36957247488631534,"Lipid LC Pos",17.079999999999998,864.79039999999998]
["Triacylglycerol","S10025","TG(53:2)",8.8054236420907886E-2,0.37072035742850357,"Lipid LC Pos",17.11,890.80809999999997]
["Triacylglycerol","S10055","TG(58:5)",0.71860019175455414,0.49260284162282453,"Lipid LC Pos",17.21,954.84140000000002]
["Triacylglycerol","M00384","TG(51:2)",1.4345208228800801,5.637921473642149E-2,"Lipid LC Pos",17.32,848.81240000000003]
["Triacylglycerol","S10017","TG(52:1)",9.4456270006104778E-2,0.37632091008091395,"Lipid LC Pos",17.45,878.80939999999998]
["Triacylglycerol","M00385","TG(50:0)",8.9396510948498931E-2,0.36932313072551387,"Lipid LC Pos",17.46,852.79179999999997]
["Triacylglycerol","S10027","TG(54:2)",0.10981023207782215,0.38438535984049321,"Lipid LC Pos",17.47,904.82479999999998]
["Triacylglycerol","S10043","TG(56:3)",0.1178343949044586,0.38850581291680658,"Lipid LC Pos",17.5,930.84090000000003]
["Triacylglycerol","M00387","TG(54:1)",7.0590281804476407E-2,0.37666566005750013,"Lipid LC Pos",18.170000000000002,906.83979999999997]
["Triacylglycerol","S10053","TG(58:3)",8.9269914879336124E-2,0.3852891072474573,"Lipid LC Pos",18.2,958.87199999999996]
["Triacylglycerol","S10011","TG(51:1)",0.72325581395348837,0.38017781885446889,"Lipid LC Pos",18.41,864.81679999999994]
["Triacylglycerol","M00338","TG(54:0)",0.33096366508688785,0.41694382465285035,"Lipid LC Pos",18.84,908.85270000000003]
["Tryptophan metabolism","C00328","L-Kynurenine",1.1072056239015817,0.69414409298653923,"Metabolite CE CA",9.44,209.1]
["Tryptophan metabolism","C01717","Kynurenic acid",1.2054263565891474,0.65104070059327679,"Metabolite LC Neg",1.93,188.05410000000001]
["Tryptophan metabolism","C02693","Indole-3-acetamide",0.85646387832699611,0.27213636755960441,"Metabolite LC Neg",4.37,173.08029999999999]
["Tryptophan metabolism","C02043","Indolelactic acid",0.70967741935483875,0.3882728744017665,"Metabolite LC Neg",4.3899999999999997,204.05926129032258]
["Tryptophan metabolism","C08493","Indole-3-carboxaldehyde",2.2640000000000002,0.29419996922080743,"Metabolite LC Neg",5.35,144.04499999999999]
["Tryptophan metabolism","C00954","Indole acetate",0.58139534883720934,3.217675261516692E-2,"Metabolite LC Neg",5.55,174.05330000000001]
["Tryptophan metabolism","M00252","Indolepropionate",0.61475409836065575,2.0553213515824061E-2,"Metabolite LC Neg",6.3,188.06909999999999]
["Tryptophan metabolism","C00780","Serotonin",1.8388888888888888,0.43454694646211101,"Metabolite LC Pos",1.05,177.11]
["Unclassified","M00260","5-Methylcytidine",1.5758928571428572,0.30195704018669611,"Metabolite LC Neg",0.69,256.09500000000003]
["Unclassified","C01205","β-Aminoisobutyric acid",1.4358424859362444,0.39786994066480352,"Metabolite LC Neg",0.72,102.056]
["Unclassified","C02979","Glycerol 2-phosphate",1.6902528314838119,0.42373488334071951,"Metabolite LC Neg",0.74,171.0076]
["Unclassified","M00056","4-Amino-3-Hydroxybutyric acid",1.1577807397534157,0.68555663631241848,"Metabolite LC Neg",0.84,118.0467]
["Unclassified","M00010","Ethylmalonic acid",0.59965546942291126,8.2933226210301317E-2,"Metabolite LC Neg",1.23,131.03257209302325]
["Unclassified","M00222","3-Furoic acid",0.79207920792079212,0.51281920877891207,"Metabolite LC Neg",1.6,111.0254]
["Unclassified","M00073","Quinine",0.90952380952380951,0.70838497863900951,"Metabolite LC Neg",5.0599999999999996,383.18490000000003]
["Unclassified","C02512","L-3-Cyanoalanine",1.4440753045404209,0.37472985385134827,"Metabolite LC Pos",0.581358024691358,115.03706790123456]
["Unclassified","M00250","3-Methoxytyrosine",1.5467625899280575,0.36624761538667039,"Metabolite LC Pos",0.74,212.08817380952382]
["Unclassified","C01769","(S)-2-Acetoin",0.62013729977116705,1.358837812747099E-2,"Metabolite LC Pos",1.04,106.051]
["Unclassified","M00012","2-Hydroxyisobutyric acid",1.6626016260162604,0.40323520518234901,"Metabolite LC Pos",1.1599999999999999,105.04430000000001]
["Unclassified","C00571","Cyclohexylamine",1.4132985658409387,0.36649053614796356,"Metabolite LC Pos",1.52,100.0993]
["Unclassified","C03137","N-acetyl-D-tryptophan",1.7734627831715208,0.3767068140421852,"Metabolite LC Pos",4.42,247.1388]
["Unclassified","M00015","1,4-Pregnadien-11 beta,17,21-triol-3-20-dione",1.7415094339622643,0.35753480980481317,"Metabolite LC Pos",6.25,361.2054]
["Urea Cycle","C00270","N-Acetylneuraminate",1.0703592814371259,0.44639987460606334,"Metabolite CE AN",9.2286206896551732,308.09963448275863]
["Urea Cycle","C00077","L-Ornithine",0.9267285861713106,0.59423475497943612,"Metabolite CE CA",6.85,133.09639999999999]
["Urea Cycle","C00019","S-Adenosyl-L-Methionine",0.60144927536231885,6.5577921057381916E-2,"Metabolite CE CA",7.11,400.14609999999999]
["Urea Cycle","C00334","4-Aminobutanoic acid",0.66718346253229976,0.22364924109478651,"Metabolite CE CA",7.73,104.08745542168674]
["Urea Cycle","C01035","4-Guanidinobutanoate",0.94901847575057741,0.78505683949683003,"Metabolite CE CA",7.97,146.10659999999999]
["Urea Cycle","C00300","Creatine",0.76170734831172848,0.4309303117323855,"Metabolite CE CA",8.49,132.07730000000001]
["Urea Cycle","C00213","Sarcosine",0.72499999999999998,0.52874454535452897,"Metabolite CE CA",9.15,90.059700000000007]
["Urea Cycle","C00327","L-Citrulline",1.3024793388429752,0.41266953498555514,"Metabolite CE CA",10.37,176.1216]
["Urea Cycle","C00086","Urea",2.347266881028939,0.45020486618856453,"Metabolite CE CA",15.12,61.039299999999997]
["Valine, leucine and isoleucine metabolism","C02612","Citramalic acid",1.552638676616021,0.44585483855646535,"Metabolite LC Neg",0.87,147.0333]
["Valine, leucine and isoleucine metabolism","C00141","3-methyl-2-oxobutyric acid",1.4819646968534153,0.49765592665285774,"Metabolite LC Neg",1,115.0376]
["Valine, leucine and isoleucine metabolism","M00013","beta-hydroxyisovaleric acid",1.5105282156178559,0.4602868625533682,"Metabolite LC Neg",1.1299999999999999,117.0467]
["Valine, leucine and isoleucine metabolism","M00304","N-Acetyl-DL-valine",0.917184265010352,0.57278009551465203,"Metabolite LC Neg",1.74,158.0812]
["Valine, leucine and isoleucine metabolism","C00233","4-Methyl-2-oxopentanoate",1.0547112462006079,0.84147707384200887,"Metabolite LC Neg",2.2000000000000002,129.04859999999999]
["Valine, leucine and isoleucine metabolism","C02710","N-Acetyl-L-leucine",1.4119259766963674,0.39610870213640914,"Metabolite LC Pos",2.94,174.10730000000001]
["β-Alanine metabolism","C01262","Anserine",0.20737704918032784,0.45177970861382422,"Metabolite CE CA",6.93,241.14240000000001]
["β-Alanine metabolism","C00099","beta-Alanine",1.4835227272727274,3.8979100476808512E-2,"Metabolite CE CA",7.25,90.058000000000007]
["β-Alanine metabolism","C02642","N-Carbamoyl-β-alanine",1.9086229086229085,0.47838231605406245,"Metabolite LC Pos",1.08,133.08009999999999]

{"sheet":"No01_Glycolysis","index":7,"n_rows":0,"n_cols":0,"rows_kept":0,"cut":false,"hidden":false,"merged":[]}

{"sheet":"No02_Nucleic acid","index":8,"n_rows":48,"n_cols":51,"rows_kept":48,"cut":false,"hidden":false,"merged":[]}
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Pseudouridine (C02067)",null,null,null,null,null,null,"Uracil  (C00106)",null,null,null,null,null,null,"Cytosine  (C00380)",null,null,null,null,null,null,null,null,null,null,null,null,null,"5-Methylcytosine (C02376)",null,null,null,null,null,null,"Thymiine  (C00178)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null," "]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Uridine  (C00299)",null,null,null,null,null,null,"Cytidine  (C00475)",null,null,null,null,null,null,"Deoxycytidine  (C00881)",null,null,null,null,null,null,"Deoxyuridine  (C00526)",null,null,null,null,null,null,"Thymidine  (C00214)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"UMP  (C00105)",null,null,null,null,null,null,"CMP  (C00055)",null,null,null,null,null,null,"dCMP  (C00239)",null,null,null,null,null,null,"dUMP  (C00365)",null,null,null,null,null,null,"dTMP  (C00364)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"UDP  (C00015)",null,null,null,null,null,null,"CDP  (C00112)",null,null,null,null,null,null,"dCDP  (C00705)",null,null,null,null,null,null,"dUDP  (C01346)",null,null,null,null,null,null,"dTDP  (C00363)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PRPP  (C00119)",null,null,null,null,null,null,"UTP  (C00075)",null,null,null,null,null,null,"CTP  (C00063)",null,null,null,null,null,null,"dCTP  (C00458)",null,null,null,null,null,null,"dUTP  (C00460)",null,null,null,null,null,null,"dTTP  (C00459)"]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,"ATP  (C00002)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"GTP  (C00044)",null,null,null,null,null,null,"dGTP  (C00286)",null,null,null,null,null,null,"Deoxyguanosine  (C00330)"]
[]
[]
[]
[]
[null,"Deoxyadenosine  (C00559)",null,null,null,null,null,null,"ADP  (C00008)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"GDP  (C00035)",null,null,null,null,null,null,"dGDP  (C00361)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,"AMP  (C00020)",null,null,null,null,null,null,"IMP  (C00130)",null,null,null,null,null,null,"XMP  (C00655)",null,null,null,null,null,null,"GMP  (C00144)",null,null,null,null,null,null,"dGMP  (C00362"]
[]
[]
[]
[]
[null,"3'-AMP (C01367)",null,null,null,null,null,null,"Adenosine  (C00212)",null,null,null,null,null,null,"Inosine  (C00294)",null,null,null,null,null,null,"Xanthosine  (C01762)",null,null,null,null,null,null,"Guanosine  (C00387)",null,null,null,null,null,null,"Guanine  (C00242)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,"Adenine  (C00147)",null,null,null,null,null,null,"Hypoxanthine  (C00262)",null,null,null,null,null,null,"Xanthine  (C00385)",null,null,null,null,null,null,"S-Allantoin (C02350)"]

{"sheet":"No03_Urea","index":9,"n_rows":34,"n_cols":54,"rows_kept":34,"cut":false,"hidden":false,"merged":[]}
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Glutamine  (C00064)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Proline  (C00148)",null,null,null,null,null,null,"Putrescine  (C00134)",null,null,null,null,null,null,"Spermidine  (C00315)",null,null,null,null,null,null,"Spermine  (C00750)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Glutamate  (C00025)",null,null,null,null,null,null,"Acetyl-L-glutamate  (C00624)"]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"4-Hydroxy-proline  (C01015)",null,null,null,null,null,null,"4-Aminobutanoic acid  (C00334)",null,null,null,null,null,null,"N8-Acetylspermidine (C01029)",null,null,null,null,null,null,"N1-Acetylspermine (C02567)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Acetyl-L-aspartate (C01042)",null,null,null,null,null,null,"L-Ornithine  (C00077)",null,null,null,null,null,null,null,null,null,null,"N-Acetylornithine (C00437)",null,null,null,null,null,null,"4-Guanidinobutanoate (C01035)"]
[]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Aspartate  (C00049)",null,null,null,null,null,null,"L-Arginine  (C00062)",null,null,null,null,null,null,null,null,null,null,"Urea  (C00086)",null,null,null,null,null,null,"Dimethyl-L-arginine  (C03626)"]
[]
[]
[]
[]
[null,null,null,null,null,"Guanidinosuccinic acid  (C03139)",null,null,null,null,null,null,null,null,"L-Asparagine  (C00152)",null,null,null,null,null,null,"Citruline  (C00327)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Acetyl-L-arginine  (M00001)"]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Guanidinoacetate (C00581)",null,null,null,null,null,null,"Creatine phospahte (C02305)"]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Alanine  (C00041)",null,null,null,null,null,null,"N-Acetyl-L-alanine (C02847)"]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Creatine (C00300)",null,null,null,null,null,null,"Creatinine (C00791)"]
[]
[]
[null,null,null,null,null,null,"\n"]

{"sheet":"No04_Cysteine","index":10,"n_rows":32,"n_cols":42,"rows_kept":32,"cut":false,"hidden":false,"merged":[]}
[]
[null,null,null,null,null,null,"Choline  (C00114)",null,null,null,null,null,null,null,null,"Betaine  (C00719)",null,null,null,null,null,null,null,null,null,"Dimethylglycine  (C01026)",null,null,null,null,null,null,null,null,"N-Acetylglycine (M00249)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Serine  (C00065)",null,null,null,null,null,null,null,null,null,"Glycine  (C00037)",null,null,null,null,null,null,null,null,"L-Threonine  (C00188)",null,null,null,null,null,null,"L-Threonine phosphate (C12147)"]
[]
[]
[]
[]
[null,null,null,null,null,null,"Glutathione    (C00051)",null,null,null,null,null,null,null,null,"L-Cysteine   (C00097)",null,null,null,null,null,null,null,null,null,"L-Cystathionine (C02291)",null,null,null,null,null,null,null,null,"2-Oxobutanoate (C00109)"]
[]
[]
[]
[]
[null,null,null,null,null,"Oxidized glutathione (C00127)",null,null,null,null,null,null,null,null,null,"L-Homocysteine   (C00155)",null,null,null,null,null,null,null,null,null,"O-Succinyl-L-homoserine (C01118)",null,null,null,null,null,null,null,null,"α-Aminobutyric acid (C02356)"]
[]
[]
[]
[]
[null,null,null,null,null,"L-Methionine S-oxide (C02989)",null,null,null,null,null,null,null,null,null,"L-Methionine   (C00073)",null,null,null,null,null,null,null,null,null,"L-Homoserine (C00263)",null,null,null,null,null,null,null,null,"Ophthalmic Acid (M00035)"]
[]
[]
[]
[]
[null,null,null,null,null,"N-Formyl-L-methionine (C03145)",null,null,null,null,null,null,null,null,null,"S-Adenosyl-L-Methionine (C00019)",null,null,null,null,null,null,null,null,null,"Mercaptopyruvate (C00957)",null,null,null,null,null,null,null,null,"O-Acetyl-L-Homoserine (C01077)"]
[]
[]
[]
[]
[null,null,null,null,null,"N-Acetyl-L-methionine (C02712)",null,null,null,null,null,null,null,null,"  S-Adenosyl-L-homocysteine (C00021)",null,null,null,null,null,null,null,null,null,null,"5'-Methylthioadenosine (C00170)"]

{"sheet":"No05_Vitamin","index":11,"n_rows":27,"n_cols":39,"rows_kept":27,"cut":false,"hidden":false,"merged":[]}
[]
[null,"L-Aspartate (C00049)",null,null,null,null,null,null,"Nicotinamide D-ribonucleotide (C00455)",null,null,null,null,null,null,null,null,null,null,null,"NAD+ (C00003)",null,null,null,null,null,null,null,null,"NADP+ (C00006)",null,null,null,null,null,null,null,null,"Nicotinamide (C00153)"]
[]
[]
[]
[]
["Pyridine-2,3-dicarboxylate (C03722)",null,null,null,null,null,null,null,null,null,"Nicotinate mononucleotide (C01185)",null,null,null,null,null,null,null,null,null,"Nicotinate (C00253)",null,null,null,null,null,null,null,null,"6-Hydroxynicotinic acid (C01020)",null,null,null,null,null,null,null,null,"1-Methylnicotinamide (C02918)"]
[]
[]
[]
[]
[null,"Pyridoxine (C00314)",null,null,null,null,null,null,null,null,"Pyridoxal (C00250)",null,null,null,null,null,null,null,null,"4-Methylaminobutyrate (C15987)",null,null,null,null,null,null,null,null,null,"Fumarate (C00122)",null,null,null,null,null,null,null,null,"N-Methyl-2-pyridone-5-carboxamide (C05842)"]
[]
[]
[]
[]
[null,"Pyridoxal 5-phosphate (C00018)",null,null,null,null,null,null,null,null,"Pyridoxamine(C00534)",null,null,null,null,null,null,null,null,null,"4-Pyridoxate (C00847)",null,null,null,null,null,null,null,null,"Succinate semialdehyde (C00232)"]
[]
[]
[]
[]
[null,"D-Ribulose 5-phosphate (C00199)",null,null,null,null,null,null,null,null,"Thiamine phosphate (C01081)",null,null,null,null,null,null,null,null,null,"Thiamine diphosphate (C00068)",null,null,null,null,null,null,null,null,"Thiamine triphosphate (C03028)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,"Thiamine (C00378)",null,null,null,null,null,null,null,null,null,"5-(2-Hydroxyethyl)-4-methylthiazole (C04294)"]

{"sheet":"No06_Fattyacid","index":12,"n_rows":33,"n_cols":70,"rows_kept":33,"cut":false,"hidden":false,"merged":[]}
[]
[null,null,null,null,null,null,null,null,null,"Lauric acid(12:0) ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Adrenate (22:4; 7,10,13,16) "]
[null,null,null,null,null,null,null,null,null,null,"(C02679)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"(C16527)"]
[]
[]
[]
[]
[null,"Malonyl-CoA ",null,null,null,null,null,null,null,"Myristic acid(14:0) ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Dihomo-g-linolenic acid(20:3; 8,11,14) ",null,null,null,null,null,null,null,null,null,null,"Arachidonic acid(20:4; 5,8,11,14) "]
[null,null,"(C00083)",null,null,null,null,null,null,null,"(C06424)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"(C03242)",null,null,null,null,null,null,null,null,null,null,"(C00219)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,"Palmitic acid(16:0) ",null,null,null,null,null,null,null,"Palmitoleic acid(16:1;7) ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"g-Linolenic acid(18:3;6,9,12) "]
[null,null,null,null,null,null,null,null,null,null,"(C00249)",null,null,null,null,null,null,null,"(C08362)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"(C06426)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,"Stearic acid(18:0) ",null,null,null,null,null,null,null,"Oleic acid(18:1;9) ",null,null,null,null,null,null,null,"Linoleic acid(18:2; 9,12) ",null,null,null,null,null,null,null,null,"a-Linolenic acid(18:3; 9,12,15) ",null,null,null,null,null,null,null,null,null,null,"Stearidonic acid(18:4; 6,9,12,15) "]
[null,null,null,null,null,null,null,null,null,null,"(C01530)",null,null,null,null,null,null,null,"(C00712)",null,null,null,null,null,null,null,"(C01595)",null,null,null,null,null,null,null,null,"(C06427)",null,null,null,null,null,null,null,null,null,null,"(S00004)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,"Arachidic acid(20:0) ",null,null,null,null,null,null,null,"Eicosenoic acid(20:1;11) ",null,null,null,null,null,null,null,"Eicosadienoic acid(20:2;11,14) ",null,null,null,null,null,null,null,null,"Eicosatrienoic acid(20:3; 11,14,17)",null,null,null,null,null,null,null,null,null,null,"Eicosatetraenoic acid(20:4; 8,11,14,17)",null,null,null,null,null,null,null,null,null,null,"Eicosapentaenoic acid(20:5; 5,8,11,14,17) "]
[null,null,null,null,null,null,null,null,null,null,"(C06425)",null,null,null,null,null,null,null,"(M00358)",null,null,null,null,null,null,null,"(C16525)",null,null,null,null,null,null,null,null,"(M00257)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"(C06428)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,"Docosanoic acid(22:0) ",null,null,null,null,null,null,null,"Erucic acid(22:1;13) ",null,null,null,null,null,null,null,"Docosadienoic acid(22:2;13,16) ",null,null,null,null,null,null,null,null,"Docosatrienoic(22:3; 13,16,19) ",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Docosapentaenoic acid(22:5; 7,10,13,16,19) ",null,null,null,null,null,null,null,null,null,null,null,"Docosahexaenoic acid(22:6;4,7,10,13,16,19) "]
[null,null,null,null,null,null,null,null,null,null,"(C08281)",null,null,null,null,null,null,null,"(M00353)",null,null,null,null,null,null,null,"(C16533)",null,null,null,null,null,null,null,null,"(C16534)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"(C16513)",null,null,null,null,null,null,null,null,null,null,null,"(C06429)"]

{"sheet":"No07_PC","index":13,"n_rows":42,"n_cols":44,"rows_kept":42,"cut":false,"hidden":false,"merged":[]}
[]
[null,"PC(32:0) (M00335,S10086)",null,null,null,null,null,null,"PC(34:0) (S10089)",null,null,null,null,null,null,"PC(36:0) (M00336)",null,null,null,null,null,null,"PC(38:0) (S10099,S10100)",null,null,null,null,null,null,"PC(40:0) (S10107)",null,null,null,null,null,null,"PC(42:0) (S10115)"]
[]
[]
[]
[]
[null,"PC(32:1) (S10087)",null,null,null,null,null,null,"PC(34:1) (M00321,S10090)",null,null,null,null,null,null,"PC(36:1) (S10093,S10198)",null,null,null,null,null,null,"PC(38:1) (S10101)",null,null,null,null,null,null,"PC(40:1) (S10108)",null,null,null,null,null,null,"PC(42:1) (S10116)"]
[]
[]
[]
[]
[null,"PC(32:2) (S10088)",null,null,null,null,null,null,"PC(34:2) (M00331,S10091)",null,null,null,null,null,null,"PC(36:2) (M00334,S10094)",null,null,null,null,null,null,"PC(38:2) (S10102,S10103,S10203)",null,null,null,null,null,null,"PC(40:2) (S10109,S10110)",null,null,null,null,null,null,"PC(42:2) (S10117,S10118)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,"PC(34:3) (S10092)",null,null,null,null,null,null,"PC(36:3) (S10095,S10096,S10197)",null,null,null,null,null,null,"PC(38:3) (S10104,S10105)",null,null,null,null,null,null,"PC(40:3) (S10111,S10112)",null,null,null,null,null,null,"PC(42:3) (S10119)",null,null,null,null,null,null,"PC(44:3) (S10122)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PC(36:4) (S10097,S10098)",null,null,null,null,null,null,"PC(38:4) (S10106,S10202)",null,null,null,null,null,null,"PC(40:4) (S10113,S10114,S10207)",null,null,null,null,null,null,"PC(42:4) (S10120,S10121)",null,null,null,null,null,null,"PC(44:4) (S10123)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PC(36:5) (S10145,S10196)",null,null,null,null,null,null,"PC(38:5) (S10148,S10201)",null,null,null,null,null,null,"PC(40:5) (S10152,S10206)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PC(36:6) (S10144)",null,null,null,null,null,null,"PC(38:6) (S10147,S10200,S10210)",null,null,null,null,null,null,"PC(40:6) (S10151)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PC(38:7) (S10146,S10199)",null,null,null,null,null,null,"PC(40:7) (S10150,S10205,S10212)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PC(40:8) (S10204,S10211)"]

{"sheet":"No08_PE_DG","index":14,"n_rows":27,"n_cols":53,"rows_kept":27,"cut":false,"hidden":false,"merged":[]}
[]
[null,"PE(32:0) (M00412,S10131,S10153)",null,null,null,null,null,null,"PE(34:0) (M00413,S10134)",null,null,null,null,null,null,"PE(36:0) (M00414)",null,null,null,null,null,null,null,null,"DG(32:0) (M00324)",null,null,null,null,null,null,"DG(34:0) (M00380)",null,null,null,null,null,null,"DG(36:0) (M00378,M00328)",null,null,null,null,null,null,"DG(38:0) (M00381)"]
[]
[]
[]
[]
[null,"PE(32:1) (S10132)",null,null,null,null,null,null,"PE(34:1) (M00417,S10135)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"DG(32:1) (S10062)",null,null,null,null,null,null,"DG(34:1) (S10064)",null,null,null,null,null,null,"DG(36:1) (S10067)",null,null,null,null,null,null,null,null,null,null,null,null,null,"DG(40:1) (S10076)"]
[]
[]
[]
[]
[null,"PE(32:2) (S10133)",null,null,null,null,null,null,"PE(34:2) (S10136,S10154)",null,null,null,null,null,null,"PE(36:2) (M00415)",null,null,null,null,null,null,null,null,"DG(32:2) (S10063)",null,null,null,null,null,null,"DG(34:2) (S10065)",null,null,null,null,null,null,"DG(36:2) (M00379,M00349,S10068)",null,null,null,null,null,null,"DG(38:2) (S10071)",null,null,null,null,null,null,"DG(40:2) (S10077)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,"PE(34:3) (S10137)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"DG(34:3) (S10066)",null,null,null,null,null,null,"DG(36:3) (S10069)",null,null,null,null,null,null,"DG(38:3) (S10072,S10073)",null,null,null,null,null,null,"DG(40:3) (S10078)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PE(36:4) (M00418)",null,null,null,null,null,null,"PE(38:4) (M00419)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"DG(36:4) (M00392,S10070)",null,null,null,null,null,null,"DG(38:4) (S10074,S10075)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"PE(38:6) (S10208)"]

{"sheet":"No09_TG","index":15,"n_rows":53,"n_cols":51,"rows_kept":53,"cut":false,"hidden":false,"merged":[]}
[]
[null,"TG(46:0) (S10140)",null,null,null,null,null,null,"TG(48:0) (M00339,S10001,S10163)",null,null,null,null,null,null,"TG(50:0) (M00385,S10005,S10167)",null,null,null,null,null,null,"TG(52:0) (S10173)",null,null,null,null,null,null,"TG(54:0) (M00338,S10178)",null,null,null,null,null,null,"TG(56:0) (S10184)"]
[]
[]
[]
[]
[null,"TG(46:1) (S10139)",null,null,null,null,null,null,"TG(48:1) (S10002)",null,null,null,null,null,null,"TG(50:1) (M00396,S10006,S10166)",null,null,null,null,null,null,"TG(52:1) (S10017,S10172)",null,null,null,null,null,null,"TG(54:1) (M00387,S10177)",null,null,null,null,null,null,"TG(56:1) (S10143)",null,null,null,null,null,null,"TG(58:1) (S10192)",null,null,null,null,null,null,"TG(60:1) (S10195)"]
[]
[]
[]
[]
[null,"TG(46:2) (S10138)",null,null,null,null,null,null,"TG(48:2) (S10003)",null,null,null,null,null,null,"TG(50:2) (S10007,S10165)",null,null,null,null,null,null,"TG(52:2) (M00397,M00398,S10018,S10171)",null,null,null,null,null,null,"TG(54:2) (S10027,S10176)",null,null,null,null,null,null,"TG(56:2) (S10042,S10183)",null,null,null,null,null,null,"TG(58:2) (S10191)",null,null,null,null,null,null,"TG(60:2) (S10194)"]
[]
[]
[]
[]
[null,"TG(46:3) (S10162)",null,null,null,null,null,null,"TG(48:3) (S10004,S10142)",null,null,null,null,null,null,"TG(50:3) (S10008)",null,null,null,null,null,null,"TG(52:3) (M00402,S10019,S10170)",null,null,null,null,null,null,"TG(54:3) (M00394,S10028,S10175)",null,null,null,null,null,null,"TG(56:3) (S10043,S10182)",null,null,null,null,null,null,"TG(58:3) (S10053,S10190)",null,null,null,null,null,null,"TG(60:3) (S10193)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,"TG(48:4) (S10141)",null,null,null,null,null,null,"TG(50:4) (S10009)",null,null,null,null,null,null,"TG(52:4) (M00399,S10020,S10021)",null,null,null,null,null,null,"TG(54:4) (M00400,S10029,S10030)",null,null,null,null,null,null,"TG(56:4) (S10044,S10181)",null,null,null,null,null,null,"TG(58:4) (S10054,S10189)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"TG(50:5) (S10164)",null,null,null,null,null,null,"TG(52:5) (S10022,S10169)",null,null,null,null,null,null,"TG(54:5) (M00401,S10031,S10032)",null,null,null,null,null,null,"TG(56:5) (S!0045,S10046)",null,null,null,null,null,null,"TG(58:5) (S10055)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"TG(52:6) (S10023,S10168)",null,null,null,null,null,null,"TG(54:6) (M00395,S10033,S10034)",null,null,null,null,null,null,"TG(56:6) (S10047,S10180)",null,null,null,null,null,null,"TG(58:6) (S10056,S10188)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"TG(54:7) (S10035,S10036,S10174)",null,null,null,null,null,null,"TG(56:7) (S10048,S10049)",null,null,null,null,null,null,"TG(58:7) (S10057,S10058,S10187)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"TG(56:8) (S10050,S10179)",null,null,null,null,null,null,"TG(58:8) (S10059,S10060,S10186)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"TG(58:9) (S10061,S10185)",null,null,null,null,null,null,"TG(60:9) (S10061,S10185)"]
[]
[]
[]
[]
[null,"CE(14:0) (M00216)",null,null,null,null,null,null,"CE(16:0) (C11251)",null,null,null,null,null,null,"CE(18:0) (M00213)",null,null,null,null,null,null,"CE(20:0) (M00390)",null,null,null,null,null,null,"CE(22:0) (M00403)",null,null,null,null,null,null,null,null,null,null,null,null,null,"TG(58:10) (S10051,S10052)",null,null,null,null,null,null,"TG(60:10) (S10051,S10052)"]
[null,null,"C53",null,null,null,null,null,null,"J53",null,null,null,null,null,null,"Q53",null,null,null,null,null,null,"X53",null,null,null,null,null,null,"AE53"]

{"sheet":"No10_Tyrosine","index":16,"n_rows":32,"n_cols":47,"rows_kept":32,"cut":false,"hidden":false,"merged":[]}
[]
[null,"gamma-L-glutamyl-L-tyrosine (M00194)",null,null,null,null,null,null,null,null,null,"Homogentisate (C00544)",null,null,null,null,null,null,null,"L-Dopa (C00355)",null,null,null,null,null,null,"Dopamine (C03758)",null,null,null,null,null,null,null,null,null,null,"3,4-Dihydroxyphenylacetate (C01161)",null,null,null,null,null,null,null,null,"Homovanillate (C05582)"]
[]
[]
[]
[]
[null,"N-acetyltyrosine (M00251)",null,null,null,null,null,null,null,null,null,"L-Tyrosine (C00082)",null,null,null,null,null,null,null,"3-Iodo-L-tyrosine (C02515)",null,null,null,null,null,null,"3,5-Diiodo-L-tyrosine (C01060)",null,null,null,null,null,null,null,null,null,null,"3-Methoxytyramine (C05587)"]
[]
[]
[]
[]
[null,"N-Acetyl-L-phenylalanine (C03519)",null,null,null,null,null,null,null,null,null,"Glycyltyrosine (M00302)",null,null,null,null,null,null,null,"Tyramine (C00483)",null,null,null,null,null,null,"3-Hydroxyphenylacetate (C05593)",null,null,null,null,null,null,null,null,null,null,"3,4-Dihydroxyphenylethyleneglycol (C05576)"]
[]
[]
[]
[]
[null,"L-Phenylalanine (C00079)",null,null,null,null,null,null,null,null,null,"Phenylpyruvate (C00166)",null,null,null,null,null,null,null,"Phenyllactate (C05607)",null,null,null,null,null,null,"4-Hydroxyphenylethanol (C06044)",null,null,null,null,null,null,null,null,null,null,"3,4-Dihydroxymandelate (C05580)",null,null,null,null,null,null,null,null,"3-Methoxy-4-hydroxymandelate (C05584)"]
[]
[]
[]
[]
[null,"trans-Cinnamate (C00423)",null,null,null,null,null,null,null,null,null,"2-Phenylacetamide C02505)",null,null,null,null,null,null,null,"2-Hydroxyphenylacetate (C05852)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Metanephrine (C05588)"]
[]
[]
[]
[]
[null,"Benzoate (C00180)",null,null,null,null,null,null,null,null,null,"4-Hydroxybenzoate (C00156)",null,null,null,null,null,null,null,"Phenylpropanoate (C05629)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"L-Normetanephrine(C05589)"]
[]
[]
[]
[]
[null,"4-Hydroxyphenylethanol (C06044)",null,null,null,null,null,null,null,null,null,"1-Phenylethylamine (C02455)",null,null,null,null,null,null,null,"Phenylacetylglycine (C05598)",null,null,null,null,null,null,"γ-Glutamylphenylalanine (M00286)",null,null,null,null,null,null,null,null,null,null,"3-Methoxy-4-hydroxyphenylethyleneglycol(C05594)"]

{"sheet":"No11_Bile acid","index":17,"n_rows":22,"n_cols":29,"rows_kept":22,"cut":false,"hidden":false,"merged":[]}
[]
[null,"Cholesterol (C00187)",null,null,null,null,null,null,null,null,"Cholate (C00695)",null,null,null,null,null,null,null,null,"Taurocholate (C05122)",null,null,null,null,null,null,null,null,"Glycocholic acid (C01921)"]
[]
[]
[]
[]
[null,"Hyodeoxycholate (C15517)",null,null,null,null,null,null,null,null,"Deoxycholate (C04483)",null,null,null,null,null,null,null,null,"Taurodeoxycholic acid (C05463)",null,null,null,null,null,null,null,null,"Glycodeoxycholate (C05464)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,"Chenodeoxycholate (C02528)",null,null,null,null,null,null,null,null,"Taurochenodeoxycholate (C05465)",null,null,null,null,null,null,null,null,"Glycochonodeoxycholate (C05466)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,"Ursodeoxycholic acid (C07880)",null,null,null,null,null,null,null,null,"Tauroursodeoxycholic acid (C16868)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,null,"Alpha-muricholic acid (M00242)",null,null,null,null,null,null,null,null,"Beta-muricholic acid (M00243)"]

{"sheet":"No12_Conjugation","index":18,"n_rows":28,"n_cols":47,"rows_kept":28,"cut":false,"hidden":false,"merged":[]}
[]
[null,null,null,null,null,null,null,null,null,"Glucose (C00221)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,"Glucose 6-phospate (C00668)",null,null,null,null,null,null,null,null,null,null,"Glucose 1-phospate (C00103)\n",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"D-Glucarate (C00818)"]
[]
[]
[]
[]
[null,null,null,null,null,null,null,null,null,"Estradiol-17beta,3-glucuronide (C05503)",null,null,null,null,null,null,null,null,null,null,"UDP-glucose (C00029)",null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"D-Glucuronolactone (C02670)",null,null,null,null,null,null,null,null,"L-Gulono-1,4-lactone (C01040)"]
[]
[null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,null,"Feces"]
[]
[]
[null,null,null,null,null,null,null,null,null,"Ethyl glucuronide (M00452)",null,null,null,null,null,null,null,null,null,null,"UDP-glucuronate (C00167)",null,null,null,null,null,null,null,null,"Drug-glucuronide",null,null,null,null,null,null,null,"D-Glucuronate (C00191)",null,null,null,null,null,null,null,null,"L-Gulonic acid (C00800)"]
[]
[]
[]
[]
[]
[null,"L-Glutamate (C00025)",null,null,null,null,null,null,null,"gamma-Glutamylcysteine (C00669)",null,null,null,null,null,null,null,null,null,null,"Glutathione (C00051)",null,null,null,null,null,null,null,null,"Drug-glutathion conjugation",null,null,null,null,null,null,null,null,null,"Feces"]
[]
[]
[]
[]
[null,"L-Cysteine (C00097)",null,null,null,null,null,null,null,"Glycine (C00037)",null,null,null,null,null,null,null,null,null,null,"Oxidized glutathione (C00127)",null,null,null,null,null,null,null,null,"L-Cysteinylglycine (C01419)"]