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["#","Compound","Chemical Class","Formula","RT","m/z","Mass Error (mDa)","HS-NPs","Saliva-NPs","Urine-NPs","FBS-NPs","HS-Granules","FBS-Granules","HS-NPs (Trypsin)","FBS-NPs (Trypsin)"]
[1,"N/A","N/A","N/A",2.9079,338.341,1.3,8705.295656385899,5884.820862013704,4048.9556360693255,8003.071954256751,10295.12242136767,6604.914912834471,6422.953884747292,4847.211152325718]
[2,"N/A","N/A","N/A",2.5636,415.3424,2.5,3503.6859782991182,3200.225508369164,3208.661202279273,3654.826966740716,2423.28642517343,3015.8744274728674,1581.889974398677,3644.8801971060343]
[3,"N/A","N/A","N/A",2.2092,637.3065,0.6,2882.958519244932,2754.7927656175093,2919.5857233648026,2960.2691157869494,2287.7425198367428,2647.046798542523,2320.8881259695836,3307.248358324546]
[4,"Lyso-PC (16:0)","GPLs","C24H50NO7P",2.098,496.3406,0.2,2669.192000550821,7.5222932735990975,6.526697094546992,790.6159276096911,340.10228736309807,180.16574341447455,10175.291008374565,1427.5946976567077]
[5,"2-Oxo-heneicosanoic acid","Fatty acids","C21H40O3",2.4245,341.3054,0.2,1053.6466975536405,2535.36723100856,2356.8484609587153,2182.338814815974,3259.635047932492,2509.9202532976324,826.8038159924386,2507.6413269712943]
[6,"N/A","N/A","N/A",3.199,472.3999,4.9,296.36482304990216,2820.913270502769,3441.0556928054107,882.6341684761637,3629.809592017519,3014.0909397920786,599.1327799868537,723.8360235383715]
[7,"4-({4-[(2-Ethylhexyl)amino]-4-oxo-2-butanyl}oxy)-4-oxobutanoic acid","Fatty acids","C16H29NO5",1.1689,316.2118,0.6,2522.017583935692,1697.66852207522,1535.1541761442866,2424.6964265928273,1456.6874139922445,1443.934743650808,1110.5071795732135,2814.8190468072644]
[8,"Eplerenone","Prenol lipids","C24H30O6",1.7625,415.211,1.1,5337.929866408633,1164.3842049812458,631.9174383767789,1900.6890552131247,3068.7414899519194,30.380864648395395,60.41982714018938,513.7189288342122]
[9,"N/A","N/A","N/A",4.9182,663.4521,3.5,1345.4640367181382,1296.5399461067934,1303.3832852687053,1297.1538560641618,1498.0006026558322,1963.4514180273163,1012.9625321089143,1411.6792649560634]
[10,"MG (0:0/18:0/0:0)","Glycerolipids","C21H42O4",2.6353,359.3134,2,1330.563509223182,1349.8133084829803,1265.0680098971397,1561.4979352127075,1632.2425921461686,1300.8560378237576,976.8787228931346,1708.5362598125366]
[11,"Palmitic amide","Fatty amides","C16H33NO",2.3461,256.2629,1.1,853.7742456834917,756.4137084688867,939.4974163956601,825.4702209255031,772.1113657331813,1699.5092844806766,2928.61210752079,731.6505826244874]
[12,"TG (14:0/14:0/14:1(9Z)) (M+2Na+H)","Glycerolipids","C45H84O6",2.9026,675.6752,1.9,1938.196751295598,1068.7403199895793,467.3630878805129,1598.1937429367044,1537.9283740953902,890.048932961779,1796.6639123434757,541.0272430462801]
[13,"MG (0:0/18:0/0:0)","Glycerolipids","C21H42O4",2.3952,359.3156,0.1,565.3179123776175,1528.6829438272548,1393.430137065239,993.4059235630928,1471.7517681710165,1338.2628285023463,497.2044461850582,1291.417416145284]
[14,"N/A","N/A","N/A",2.2085,654.3314,1.1,1125.3774768796468,1036.7405963187855,1146.3524535640413,1216.662974823483,985.4973722787479,1066.225324465198,889.8608712737314,1327.8536811950792]
[15,"Oleamide","Fatty amides","C18H35NO",2.3638,282.2788,0.9,562.3926303460706,926.5397548433524,880.0163249147528,462.93915299896753,372.1362384226175,1174.7977026196666,2805.724750071278,596.924367510252]
[16,"Geranylgeranylcysteine","Prenol lipids","C23H37NO3S",1.794,430.2424,3.7,1598.2063585920123,853.2886595223326,991.6828608369735,1239.095179781609,1044.078881061541,1003.2544901973515,547.4284656276157,1415.1138209373169]
[17,"MG (16:0/0:0/0:0)","Glycerolipids","C19H38O4",2.4108,331.2822,4,1283.2895196371464,921.6314784671679,977.8698941411864,1196.1655529655934,1021.0383812007934,947.0395202272957,843.8702970050504,1318.7878667018163]
[18,"MG (18:2(9Z,12Z)/0:0/0:0)","Glycerolipids","C21H38O4",2.0848,355.2828,1.4,1152.0128857550003,1080.3510671465622,1324.5462881465407,1179.0008600690426,930.9815573359122,990.708502356843,411.2466718115003,1104.6745521968367]
[19,"10-Oxo-nonadecanoic acid","Fatty acids","C19H36O3",2.4108,313.2722,2.1,1113.9535345683369,822.1229697851683,883.3940782099479,1066.8485114358125,964.0739765631961,885.4503217824225,783.3261586482619,1179.3356343292326]
[20,"N/A","N/A","N/A",3.6069,681.4712,2.6,1403.0378829676972,1038.35181842273,1156.2878495003524,1025.5087904633772,1141.5802643730324,376.87654880287965,295.9346721195303,917.0788364616286]
[21,"10-Oxo-nonadecanoic acid","Fatty acids","C19H36O3",2.203,313.2726,1.7,338.18510501628487,1309.191681304473,1210.2559449728055,929.395403304027,1283.8595554839267,1019.1017126547532,281.62057871861373,909.7101970240188]
[22,"N/A","N/A","N/A",2.1601,441.3199,3,726.2452458445578,770.5869560502802,1211.7685257793435,936.558655757538,635.4901750168589,791.4061845842997,711.4025867768974,1069.329937434095]
[23,"PE (34:3)","GPLs","C39H72NO7P",3.6061,698.4973,2.8,1217.633303243083,930.5598161677484,996.1483969812597,869.8194839961204,971.4197456474811,346.24290637295513,267.9821892312361,798.6347803163445]
[24,"N/A","N/A","N/A",2.6899,149.0228,1.1,660.5603903257098,685.6505035079272,933.0813730736933,614.2155489085657,715.1340242624221,1279.4260992341235,586.5476039358161,867.1029401171647]
[25,"Stearamide","Fatty amides","C18H37NO",2.589,284.2947,0.6,473.56736200144843,507.5012105706534,488.7717796432296,574.4288601107601,522.4881134263285,1099.3824237226952,1473.8955582850433,557.1985312829526]
[26,"C19 sphinganine","Sphingolipids","C17H37NO2",3.5703,288.2896,0.7,681.439335119404,2390.534884663883,215.42695356798652,1158.8114417988593,171.1319572884107,128.80864388688192,332.24880027649357,485.03630488576454]
[27,"C20 sphinganine","Sphingolipids","C17H37NO2",3.0127,288.2897,0.6,748.8527663841658,1748.3092150379086,339.3854356849373,1327.4293073120366,239.5336985165739,153.50200845087247,470.7414099594519,582.5233559109549]
[28,"N/A","N/A","N/A",2.9509,506.3834,1.5,124.75202756073482,1003.5133594464191,1228.4462998923489,401.7006650292544,1306.9553309045466,1087.6368988570287,280.21959893399634,332.96552114821327]
[29,"N/A","N/A","N/A",3.822,554.4408,1.3,691.4712114010163,696.3712591830176,781.0271479036213,712.1899718302516,516.9288033940813,790.2589623450522,377.9167754984172,804.0832848740481]
[30,"Arachidyl alcohol","Fatty alcohols","C20H42ONa",2.8997,321.3142,0.9,818.6504047872268,534.5677878438127,416.42484274031284,742.4675921174766,904.6468693219331,666.2217691462645,584.3717763225808,463.82344422964263]
[31,"N/A","N/A","N/A",2.1595,458.347,0.1,528.5360707215144,565.3106872163256,853.030870562773,671.8360792424102,476.3459577662512,568.8753170843191,503.9767382304596,774.9986022261278]
[32,"N/A","N/A","N/A",2.3284,387.3097,4,664.5933927908809,659.2447582332989,743.3870480935608,729.3524956874525,449.9218879958833,544.4314895610689,413.871697624594,677.133859695372]
[33,"DL-2-hydroxy valeric acid","Fatty acids ","C5H10O3",1.7607,119.086,0.1,2096.882050422276,483.1747767322626,270.7454001634494,674.8109167109917,1023.1306199457412,15.679784183311737,25.280173054162855,205.28751687170475]
[34,"Pentacosanoylglycine","N/A","C27H53NO3",3.6445,440.4085,1.3,436.6116399448687,630.5456416949519,597.7929402057208,632.2120683958576,376.9522685859456,597.1507804669018,563.3738577543334,637.2606019449327]
[35,"4'-Hydroxy-7-methoxy-8-methylflavan","Polyketides","C17H18O3",2.162,271.1534,3.8,483.2136329243567,499.3793721370969,657.0245918264055,641.7699402918141,433.2804162471425,512.2034026630378,478.3663396745333,731.0974473227886]
[36,"(25S)-5α-cholestan-3β,6α,7β,8β,15α,16β,26-heptol","Sterol lipids","C27H48O7",2.1579,485.3475,0.3,447.05878353585445,497.3249307223095,825.4546375944765,565.792829938571,406.9727779752287,482.50309358029756,409.06169245225766,649.4722211716462]
[37,"Lipoyllysine","Amino acids","C14H26N2O3S2",0.9529,335.1439,1.8,7.908489744027955,41.43612038099794,87.9828776147668,200.01037202632378,7.344593008543167,1081.4362814810584,1384.6111242378322,1331.7621790978324]
[38,"24-Nor-5-beta-cholane-3-alpha,7-alpha,12-alpha,22,23-pentol","Bile acids","C23H40O5",2.1604,397.2938,1.6,422.5150535956456,475.6187312866955,620.4103837722982,606.6141505063464,403.76209119967655,463.45617971738665,453.17310820743984,677.0595397539544]
[39,"MG (0:0/18:0/0:0) (M+NH4)","Glycerolipids","C21H45NO4",2.6627,376.3409,1.8,493.06037772075575,455.54773576142463,461.2658774625899,571.2577245809999,592.6386792827869,537.025316611652,385.1855497647146,650.1057682132397]
[40,"Lyso-PE (22:0)","GPLs","C27H56NO7P",2.4007,538.3942,7.2,241.27746652715808,648.7318448803269,653.5933871325913,426.60557484642743,708.9737395260332,625.6293302722511,226.2128578084219,470.7132683069714]
[41,"3,5-Tetradecadiencarnitine","Acyl-carnitines","C21H37NO4",1.7388,387.191,9.6,258.2042121006085,371.0909193470376,592.9888785368465,449.5605182879134,225.33846431111095,541.4435265537633,608.6910160459771,656.7628855887522]
[42,"N/A","N/A","N/A",3.1337,653.4397,3.7,1048.117300818486,642.5774027864825,532.0195875891222,511.8423141849963,564.7045282597418,56.64058726032272,43.55544718523876,327.01748911540716]
[43,"N/A","N/A","N/A",3.0474,458.3833,0.9,51.67418654397779,652.0670923997936,824.6969405754544,228.6839877141934,818.1958936819026,774.0401349438644,152.84407271340473,179.88715394258935]
[44,"Diffutin","Polyketides","C23H28O10",1.767,465.1804,2.8,752.1094440025033,473.13261735673876,1219.4186399887278,348.86612002127595,509.39015788811474,115.95910665915247,12.881845150774245,224.60582820152317]
[45,"N/A","N/A","N/A",2.8446,444.3672,0.8,77.9475150559858,680.4873094118791,829.7288739963366,265.31255521833907,763.0673432775053,454.33781538453553,168.75743372909685,206.75929538371415]
[46,"N/A","N/A","N/A",2.4408,431.3364,3.5,369.27901192503424,453.71623632463616,411.4763685207834,604.6067045878833,254.2781600935324,440.9762411121702,336.74383285707876,583.0984216871706]
[47,"N/A","N/A","N/A",4.2575,316.3207,1.8,502.68823777773133,1140.6280052061036,199.22742881104693,609.3742530792738,158.23275855058822,59.67824162639041,307.3003780150953,325.03643625073227]
[48,"N/A","N/A","N/A",3.7694,536.1651,1,419.16018469233313,412.0847086322447,472.12213784528683,485.17180633688974,373.86036546033154,299.65401679266796,342.0160012027836,508.4812005038079]
[49,"MG (16:0/0:0/0:0)","Glycerolipids","C19H38O4",2.1979,331.2833,4.2,108.28862211326015,600.3711999555837,644.6444977111456,409.0059895601932,610.4879808185212,433.087197785217,96.47389318144523,402.72392386643236]
[50,"N/A","N/A","N/A",3.01,398.3255,2.9,20.571074202262054,512.0391012702422,581.4518161296323,255.5019902381027,754.6983882977145,850.575629906843,161.93556972615588,138.5518645577036]
[51,"11-Amino-undecanoic acid","Fatty acids","C11H23NO2",0.8225,202.1798,0.9,303.3404955866677,413.3726204573385,472.6285195164154,473.2485970297134,252.384678148976,276.80679423138355,505.60803695626066,423.8088567545401]
[52,"Glucose","Sugars","C6H11O6Na",0.4847,203.0521,1.1,329.2650404718374,274.5064146155267,221.42476313935467,499.2694775924826,209.29208688780224,661.5378184594688,471.2119622333272,489.6222107791447]
[53,"N-methylhexadecanamide","Fatty amides","C17H35NO",2.3623,270.2789,0.8,421.13935278011047,345.50055548995135,339.9837162519375,452.0364767059855,465.84007316331827,386.73056129479625,250.17365414653244,489.2274622378442]
[54,"Sodium formate","N/A","N/A",0.4848,226.9517,1.3,388.6850874441033,338.1257059149492,368.17886015161343,401.0640519800174,465.81537557273714,368.2226906497615,246.30399087644608,446.49105920328066]
[55,"Isomugineic acid","Peptides","C12H20N2O8",0.8221,321.1281,1.4,30.12426796962123,83.81197228678839,128.5571778858673,296.98269876829056,22.173732038922797,946.958501707575,591.8289240275284,896.5726244288226]
[56,"N/A","N/A","N/A",2.5708,336.3263,0.3,292.2663597280812,117.42647092173443,341.0836897708892,246.53192800600732,159.99569608778697,213.5453735394716,1047.8230579417182,128.34688374926773]
[57,"N/A","N/A","N/A",2.0656,149.0234,0.5,315.6696388063408,293.82153913172533,499.46956131773993,268.046629319066,362.33599926486085,482.3205318491932,221.8627278729523,350.15779480960754]
[58,"2-Hydroxyhexadecanoylcarnitine","Acyl-carnitines","C23H45NO5",3.0077,416.3365,1.1,16.899129274551196,447.0048833933203,488.36104784331417,198.45625533201925,661.192134281663,729.6635910754217,143.01509750156538,118.64874057410663]
[59,"Galactinol","Sugars","C12H22O11",0.5052,365.1049,0.5,281.05311954911343,273.27801319890284,266.2226616452022,272.3847080191484,312.10345217424504,927.3865878368728,129.77328367450403,357.28885410661985]
[60,"Tris(2-butoxyethyl) phosphate","Phosphates","C18H39O7P",2.0298,399.2509,0.3,223.44347439357406,279.9573903883544,354.45404137635626,334.01687663089393,475.8155476066271,490.95602580450804,208.86114737858256,366.7567272993556]
[61,"3-Alpha-Hydroxy-6-oxo-5beta-cholan-24-oic Acid","Bile acids","C24H38O4",2.6877,391.2842,0.6,248.69704549808134,300.46272307395,419.2652688178104,243.72844464607914,278.9334119479918,592.4841137309797,238.75227512942303,344.18905066198016]
[62,"N/A","N/A","N/A",3.3012,540.4258,2,504.2265679090063,402.01856745032256,360.47248131210375,424.92782290917063,313.0349041618777,160.94058880817767,89.4789086498662,312.49098646748683]
[63,"N/A","N/A","N/A",2.443,413.3261,0.6,303.2024140921715,316.4550350814068,318.4287364508948,436.4356611808142,192.34013114318395,349.63596197886505,203.75218517000783,402.79946216754547]
[64,"N/A","N/A","N/A",3.1336,670.4672,1.1,669.9049276124973,430.3055522046396,358.06623063040723,340.7940400800977,373.549881464454,28.231173258468406,21.65074311676811,215.1233346924429]
[65,"Perilloside A","Prenol lipids","C16H26O6",2.1615,315.18,0.7,252.40581215765783,267.4904039214472,411.1153371441454,325.0988713431995,226.68977533862355,266.49583728824126,245.21035722857383,371.0392616285882]
[66,"N/A","N/A","N/A",4.3776,468.4412,0.5,206.86960375050256,355.3881654464639,367.1604703463436,294.28983641521444,190.02796623448967,298.72824517399084,260.31531401362116,299.61536120679557]
[67,"N/A","N/A","N/A",2.6886,522.3788,5,34.88859094267893,375.9565614007365,326.46707660814434,162.74302243359097,608.5592166017058,482.6435256811471,151.04651726847104,140.00780439367313]
[68,"Phenylalanine fragment","Amino acids","N/A",0.8587,120.0813,3.4,253.34272066846094,221.72512337803082,203.06373884176412,264.9882838355079,269.35662718120767,495.25648883129156,220.91475951569623,287.737572536614]
[69,"N/A","N/A","N/A",0.8242,343.1103,0.4,38.72827931555541,96.51344752736782,176.3539811773989,263.7508468863094,34.52135125376583,525.7885880498326,410.5709678979614,561.1837858465144]
[70,"N/A","N/A","N/A",3.5134,458.4201,0.5,246.8130002176236,231.11089183028275,448.61758861039885,195.0627932688798,253.91945699223442,306.6291712171698,158.9490499457739,187.1753816403046]
[71,"N/A","N/A","N/A",2.2463,669.3311,0.1,175.898435947972,232.67415032143097,88.94969150908837,144.30401891889076,157.851710010193,350.60386322779704,472.6068408539397,263.1206148916227]
[72,"N/A","N/A","N/A",0.8282,302.196,0.7,270.22037059942386,320.9796025552188,236.95005007862477,425.56118239938263,205.30401404681427,62.52685277977608,137.5659953997193,325.13512338605744]
[73,"MG (16:0/0:0/0:0) (M+NH4)","Glycerolipids","C19H41NO4",2.4095,348.3112,3.7,325.96949546986406,202.2998601954104,226.7661520259265,282.71258888436955,225.68423057924733,199.79599061937574,200.3126539622645,308.67873898066784]
[74,"Lyso-PC (18:0)","GPLs","C26H54NO7P",2.0012,524.371,0.6," –"," –",121.88231726532337,440.480919568641," –",22.442129962680074," –",1662.2946359343882]
[75,"N/A","N/A","N/A",4.6517,582.4731,0.3,256.22299836106083,237.09213198902833,282.2946532405242,243.82062881845584,196.75864770572943,326.43873941238655,137.37914725207025,268.98092502636206]
[76,"Palmitoylethanolamide","Fatty amides","C18H37NO2",2.2898,300.2901,0.2,236.0620773387465,191.39346757449607,195.0216477091729,222.2354337265209,220.6753239942377,215.56759579170446,286.33677849437527,257.03734493263]
[77,"Sodium formate","N/A","N/A",0.4844,158.9649,0.9,243.18401397708928,202.19860367950648,224.32051610314218,242.16022919599934,291.0516963931525,232.36867628795295,148.86382584573016,280.32507214997077]
[78,"N/A","N/A","N/A",3.3418,366.3728,0.8,380.7101140175402,189.45538233149298,79.76730387262224,280.81251041373343,299.6640990515291,146.67808859651632,345.8650730443536,47.081073708260114]
[79,"3-Dehydro-6-deoxoteasterone","Sterol lipids","C24H48O6",2.56,433.3532,0.3,269.80714894182074,241.85296466661615,264.1886952661688,269.60399957239554,193.05400911855398,224.93657741222546,106.57360754600052,263.26072625659054]
[80,"Sodium formate","N/A","N/A",0.4855,362.9269,2.6,240.3548775787472,208.7962650841935,230.3680260977878,245.35197059958497,287.4623132286892,191.02114481014104,129.51169626779537,269.73752639718805]
[81,"(3Z,13Z)-3,13-Octadecadien-1-ol","Fatty alcohols","C18H34O",2.4542,267.2689,0.1,134.58342996885648,255.74464807659248,250.95150328533185,221.7452308334116,306.8569782893593,257.3612692514459,112.71976763540253,258.28738198008205]
[82,"N/A","N/A","N/A",2.1553,529.3747,0.2,195.56533206775592,202.61162367858824,343.608096175849,232.65441424444379,171.40245470906163,200.273459762264,158.38316698432257,253.90250543643822]
[83,"Sodium formate","N/A","N/A",0.4863,430.9148,4.9,239.14589738249248,204.47154599703393,228.4447134913344,237.7505721973656,282.2358326314168,175.99923100696276,130.61371901617434,265.2807666315173]
[84,"N-hexadecanoylpyrrolidine","Pyrrolidines","C20H39NO",2.596,310.3102,0.8,334.1480112475732,116.7629742780482,114.20407074087643,227.08215215418795,499.0159937682813,197.19151527208226,199.6941484612712,64.1588215582894]
[85,"N/A","N/A","N/A",2.7438,460.363,0.8,27.515039136587685,300.36501941825315,370.46414187854026,119.39043294431757,402.34727208209813,360.97639424592717,59.61676142804888,89.07549568834213]
[86,"N/A","N/A","N/A",3.4807,547.3996,1.2,352.9946010074619,248.54211222163738,291.7049126289982,258.23497981915466,229.51353319507064,33.20030913468157,33.49996625971876,223.4288927357938]
[87,"N/A","N/A","N/A",2.5495,368.3521,4.4,140.0177038966915,22.931047992030688,315.06129833788924,7.138308500985578,16.66499326357993,17.82191384473145,805.1378199656584,40.01946091388401]
[88,"Galactosylglycerol","Sugars","C9H17O8Na",0.5274,277.0889,1,32.07581975849931,273.1732038227918,501.77359792137526,104.14100179385294,197.70538867800764,342.6910544683923,41.75789174030508,138.15589765670768]
[89,"2,4-Decadiynoic acid","Fatty acids","C10H12O2",2.1629,165.0909,0.7,164.06331763082926,181.65152488647686,218.67248498238695,231.22393279309165,157.3942165465704,182.53256443725346,174.77546937439664,266.7915326537786]
[90,"N/A","N/A","N/A",2.9011,303.3047,0.5,250.02262784524385,162.43232759587144,120.72232814090461,229.00066745929936,279.8295816633656,189.97006454762902,184.3337054335201,143.60562057410664]
[91,"N/A","N/A","N/A",2.6343,478.3525,2.7,41.08691580672568,306.11532366353373,358.18438635367056,123.41074737961894,321.50735380696096,203.50123758794334,85.88837363300247,101.11776291739896]
[92,"4-Vinylphenol","Styrenes","C4H8O",2.1614,121.0656,0.3,156.34916480498103,172.54021488522764,196.42826346230802,221.44698792278092,156.2240211833197,178.22994091661064,159.5789951292763,254.67129040421793]
[93,"N/A","N/A","N/A",4.5893,610.1853,3.2,171.49823899002988,165.60947283611983,194.4646278709314,180.0714778010701,259.5740291595804,228.16003425018638,127.5570358497364,174.236401675454]
[94,"Lipoyllysine","Amino acids","C14H26N2O3S2",0.9514,357.1269,0.9,0.34571514918280505,11.318524404944306,31.074955218261238,68.42885341509965," –",424.97346309690454,481.25219024883506,396.2605256824839]
[95,"N/A","N/A","N/A",2.2813,539.2568,1.9,136.92979254940485,197.57633254999772,265.7322216192758,202.90603955862878,98.02944131963147,172.4495395962592,153.40843038385484,212.63422583479792]
[96,"N/A","N/A","N/A",2.2327,686.3592,1.4,153.900519635917,174.67726029983143,206.44055439312388,192.18447805137512,124.02777167140977,179.07469401556685,188.43826351779379,215.44254493263037]
[97,"N/A","N/A","N/A",3.4812,529.3899,0.6,292.5680933642023,209.52460142666027,238.71863495223334,218.31055702262137,188.89422921923978,25.893518902788994,24.864531256331347,184.68627278265967]
[98,"Tuberonic acid","Jasmonic acids ","C12H18O4",2.1629,227.1282,0.1,142.01221437274614,148.6214717556078,171.05010204424406,194.83612865680047,143.62472175969714,168.47099015449982,144.11025644043883,215.60824185120094]
[99,"Lyso-PE (20:0)","GPLs","C25H52NO7P",2.189,510.3633,7.8,41.85198956882253,246.25229381812593,269.41755489248976,149.9760568192485,222.09014311181613,166.10092839093207,25.87122331713426,153.08445900410075]
[100,"N/A","N/A","N/A",2.5598,450.3798,1.7,186.91120225344912,176.76811853174218,184.07817714978162,187.83555415454256,119.04826697994909,164.68688516007055,55.92860778710729,187.82842243702402]
[101,"N-(3S-hydroxy-butanoyl)-homoserine lactone","Fatty acids ","C8H13NO4",0.9169,188.0917,0.6," –"," –"," –",60.29495585244517,1.5877022516466417,378.98519080948137,419.46570237155566,330.87237919156416]
[102,"N/A","N/A","N/A",2.2594,621.3117,4.8,147.170325311589,156.61096614644782,160.36732427110047,182.49104119604104,113.3560603888604,139.54197737950236,122.94836908956061,191.36532063268896]
[103,"27-Norcholestanehexol","Sterol lipids","C26H46O6",2.7499,455.3378,3,38.775329306272596,206.06855666015014,158.31647850302946,157.39200235703933,89.77691783829484,203.51744129188754,152.67857863977272,132.68424426479203]
[104,"(2R,5S,10R)-2-isopropenyl-6,10-dimethylspiro[4.5]dec-6-en-8-one","Prenol lipids","C15H22O",2.6992,219.1745,0.4,137.1241294675845,135.69527810692585,186.6363423328167,159.66624011555754,117.16889794429625,136.28611313365312,113.28183736935085,172.0908702519039]
[105,"N/A","N/A","N/A",2.6895,298.3106,0.4,134.351248492926,142.1943476408643,147.82312498464142,174.27146657905993,131.42293593685721,120.26713141444336,121.55272782344751,190.28341722319863]
[106,"5-Beta-Cholane-3alpha,24-diol","Bile acids","C20H42O5",2.2706,363.3109,0.1,86.97804479603016,268.6175488221671,124.35327227166411,125.23707851235362,104.16385238969733,206.07762651506692,77.6060434963967,151.31418236672525]
[107,"Phenylalanine fragment","N/A","N/A",1.2393,120.0812,0.1,35.47978430429924,53.239610204218906,91.06805483330986,136.09095141995977,97.00155112115803,152.7371936247075,284.5689662239653,272.160843831283]
[108,"Emmotin A","Prenol lipids","C16H22O4",2.6887,279.1596,0,108.43693186660781,118.68240700496375,184.6736444852755,104.79279811854032,126.40697289739579,251.7720716376357,106.19991125070247,149.09189428236672]
[109,"(2E)-2-hexadecenal","Fatty aldehydes","C16H30",2.4107,239.2372,0.3,169.44338178675105,125.5198864736337,118.55332664957025,159.68033887133276,149.7732457386665,133.23117481671164,112.89517610054246,176.07125137668424]
[110,"N/A","N/A","N/A",2.778,312.3268,0.2,90.92717553861834,143.4254137026435,233.11749102324927,137.73182968826592,87.3142152346296,137.77685389651708,133.29060472330934,143.26569821909786]
[111,"Lyso-PC (P-18:1)","GPLs","C26H52NO6P",2.6246,506.3509,9.6,17.759325843967584,190.43863639382317,199.2171136288573,49.91827160184809,292.10428418220715,306.40447985581056,38.40759005613296,39.138586854130054]
[112,"N/A","N/A","N/A",2.3782,429.3208,1.7," –",257.24306686896017,341.79356185430464,13.429607135780067,10.726986842421493,352.45648671208085,77.55265831135411," –"]
[113,"SM (d18:1/16:0)","Sphingolipids","C39H79N2O6P",2.0931,703.5749,0.04,137.51689460748455,187.36008302432325,244.3957361318867,166.17986528373126,52.248340912336076,46.10709944968043,100.86139274644461,142.12409518453427]
[114,"Phthalic acid","Benzoic acid","C8H6O4",2.688,167.0338,0.6,119.82712092370757,126.56798023474445,183.6608811430182,76.80026078658366,84.65746013354088,251.8088000332425,100.65242787927794,152.33273107205625]
[115,"N-acetyl-L-glutamate 5-semialdehyde","Amino acids","C7H11NO4",0.8784,174.0761,0.5," –"," –",16.09168421586586,107.26658749726231," –",307.78611567878374,308.58772362012206,341.21747136496776]
[116,"Hexadecyl 2-acetamido-2-deoxyhexopyranoside","Sugars","C24H47NO6",2.7376,446.3477,0.9,23.06574653615809,174.94905410567878,205.89947620008456,83.13385568870396,228.45153680008033,266.2452200005714,51.32146631793275,61.337100503807854]
[117,"N/A","N/A","N/A",2.4161,533.2796,2.4,6.8631616893982885,116.93262335293987,47.36637887107229,8.19679970380568,26.200615379395465,391.42315395702883,363.1557718341442,14.352277211482132]
[118,"N/A","N/A","N/A",3.0719,551.3293,3,91.08571355081756,137.07822894256097,165.81749144258137,149.7255327743187,94.75759860549744,115.22237825315739,128.88861489379843,162.91540338605745]
[119,"Lyso-PC (18:2)","GPLs","C26H50NO7P",1.9591,520.3396,0.1,136.30075463003374,0.8242635680599792,0.5542066067352402,3.684113336044972,37.30982683795411,1.8234568171843064,664.6112347325778,1.130637797305214]
[120,"N/A","N/A","N/A",3.9154,568.4582,0.2,208.20132305297597,167.10433876828034,159.96503216570383,180.56276521385445,120.63361708011182,57.86774777236144,35.900011650132974,135.91533417691858]
[121,"7b-Hydroxy-3-oxo-5b-cholanoic acid","Prenol lipids","C25H38O4",2.254,425.2691,2.8,148.22997292861086,121.3816925473498,132.78077612061435,147.7441153280561,84.9785288110961,125.61111297523173,101.6842872416009,174.56414043350907]
[122,"Stearoylethanolamide","Fatty amides","C20H41NO2",2.5361,328.3193,2.3,130.88898287167217,111.05441614020178,117.4739834949979,109.80544805648553,113.08909119543536,126.94845867409084,140.17348036629897,151.8429504745167]
[123,"N/A","N/A","N/A",2.9144,431.3368,2,281.3507618816939,127.39135558775263,225.08102635367055,114.16413263039331,92.59949961899997,46.05416735012947,8.483668548766369,112.17194043350909]
[124,"N/A","N/A","N/A",2.5481,404.328,1.7,86.8368948238786,9.112198216300998,206.68343004649856,2.105052689214981,3.7716749044672437,10.645833491321886,487.7278131944998,22.129067147041596]
[125,"N/A","N/A","N/A",2.5049,515.3576,3.5,7.756088687139677,312.3976687248357,294.37091835310696,138.155876881199,50.60301094933337,40.68317961610081,21.469996133123946,93.39945424721735]
[126,"(9E,12E)-9,12-octadecadienal","Fatty aldehydes","C18H32O",2.366,265.2536,0.5,37.376103495378885,132.01007385705424,101.71801157221361,38.12195109664905,11.58434605831068,169.85262597747302,333.84730524576855,62.216756203866446]
[127,"Lesquerolic acid","Fatty acids ","C20H38O3",2.524,327.2918,1.9,113.81495037075925,120.10710394803294,144.33284242919544,115.97853404670278,104.1497394807938,154.64598994933112,114.4319067842681,113.83134633860575]
[128,"2,2,4,4,6,6-Hexamethyl-1,3,5-trithiane","Organic disulfides","C9H18S3",2.0741,223.0637,1.2,79.88474728247172,81.19617895927047,114.40849889699875,98.86589809455276," –",0.7291666774878004,296.40827497540806,231.48956048037496]
[129,"(1Z,1'E)-2,2'-disulfanediyldiethanimidamide","Peptides","C6H12NOS2",0.4467,179.0413,2.6,111.93601921972727,103.67512548994067,105.32457436325208,130.4330122753773,125.90831678280455,145.18626758672275,103.07916586221344,139.7470754188635]
[130,"Methyl 9-butylperoxy-10,12-octadecadienoate","Fatty acids ","C23H42O4",2.2282,383.3133,2.3,140.88199176964852,120.85320459153549,146.65657165337467,131.18783796919163,103.25004153819403,132.8552488852068,57.94733042721738,131.52558419449326]
[131,"N/A","N/A","N/A",0.5281,527.1595,1.4,132.6594944788776,118.37419638199304,105.93973431928984,57.39061216274001,163.9755363985812,287.10586845830017,16.303072866502934,101.20670317516111]
[132,"N/A","N/A","N/A",0.4441,177.0442,0.6,103.92626971306885,102.35079684772361,103.41157693898832,127.13498794363967,127.77122075806993,139.78287244480572,103.56878427360394,145.80719654364384]
[133,"Lauroyl diethanolamide","Fatty amides","C16H33NO3",1.8402,288.2539,0,107.28932122346252,100.4286994756527,104.34275656756375,121.23303187217756,122.99870539719434,126.08966236504965,107.92577801857897,150.1908547275923]
[134,"8-Dehydrocholesterol","Sterol lipids","C17H44O",2.2721,407.3371,8.6,71.96193797605157,216.48643100258064,101.47419817500352,89.94463924783331,78.33958124772921,174.87577420016672,61.55921951809814,124.90258089045109]
[135,"N/A","N/A","N/A",2.1842,503.2567,0.5,140.20897233721576,149.53455682884672,238.87898914809074,162.9902929194957,172.3068569546292,17.853241005690187,1.4612287791654406,49.38621025190392]
[136,"N/A","N/A","N/A",2.4408,449.3481,4.5,116.2860977092967,113.97930830574221,126.48195077807524,169.38028284471704,31.27067790298707,141.16882925549734,78.9719415879861,147.6798153954306]
[137,"N/A","N/A","N/A",2.3589,411.3326,2.9,103.5560067426423,152.39905037086547,198.39189905368465,99.10774598208235,90.0427109559779,145.1657428950601,37.933987200255224,92.09702773286467]
[138,"2-Oxo-heneicosanoic acid","Fatty acids","C21H40O3",3.0137,341.305,0.6,11.10686628691148,146.7020390286923,155.63828210906019,64.20464928089443,213.07199432246318,251.56790496793914,39.1679476202394,37.39267741066198]
[139,"Sodium formate","N/A","N/A",0.4876,702.8659,4.8,131.51802079104323,109.4458586814123,116.64595568831902,136.48029398329217,141.20553395848444,84.3175938439004,60.81869073700751,140.1990868658465]
[140,"N/A","N/A","N/A",2.2863,355.0706,2,83.88604214520288,95.46979484151602,132.29033609468792,106.82518798952891," –",112.95169920711392,135.9781674674529,199.7037743878149]
[141,"Sodium formate","N/A","N/A",0.4865,566.8904,4.6,122.3708889000911,107.02103159002897,115.3837524858391,130.55122491995454,147.84330544610935,70.6233035172147,56.163502601294645,137.13491223198596]
[142,"N/A","N/A","N/A",1.5554,330.2275,0.8,143.08925002981564,92.45341652564136,96.90457246498521,137.98126921352065,99.76180088753925,97.00077304446967,59.53973423248744,153.73749980082016]
[143,"N/A","N/A","N/A",2.1048,713.4227,4.7,171.46653138759004,85.73939894917002,103.71728142933634,121.01287437814838,96.77221635147575,111.17253251404367,47.77135151260127,140.9483780785003]
[144,"N/A","N/A","N/A",1.7529,331.1306,0.2,60.05010771752214,79.36379130743023,138.3087760304354,99.18474687900881,50.305463786617366,125.41234754018322,134.14095445648758,147.062107029877]
[145,"Lyso-PC (16:1)","GPLs","C24H48NO7P",2.2553,511.344,6.6,114.39489264764283,93.96249389863046,104.23679151416091,118.52281720430109,103.06774979819015,102.62021757230899,79.89016677071845,130.97366725248975]
[146,"Choline","Cholines","C5H14NO",0.5201,104.1067,0.8,26.17922853057365,29.68769989098787,27.20769964097506,43.15520690841964,19.2100211691824,92.82669890845061,411.39767562062076,74.98272909197422]
[147,"Mannitol","Fatty alcohols","C6H13O6Na",0.4881,205.0683,0.5,94.29534117843781,113.44637927466896,115.00959269550515,148.13020433236346,55.44491477898464,63.21605032086826,96.43194767891178,142.0278447685999]
[148,"N/A","N/A","N/A",2.2317,385.2964,3.9,79.10944526152328,113.68708555370371,147.69090310384672,143.6630677909536,56.7080201258502,112.39105105064552,57.18926079961276,127.3076229291154]
[149,"Docosanamide","Fatty amides","C22H45NO",3.3818,340.3572,0.7,272.7273168439418,71.80241657155243,31.717309745526283,136.06383842808424,99.38663272585389,58.244753950795875,115.20904254938793,26.120413509080258]
[150,"10-Oxo-nonadecanoic acid","Fatty acids","C19H36O3",1.9188,313.2728,1.5," –",25.303470395358495,17.626770874453996," –",118.99651964730283," –",507.4338102847169,1.9859263034563563]
[151,"N/A","N/A","N/A",0.5348,345.0604,0,15.94892402724106,32.69253141118928,83.69176182386926,155.52120591762883,0.7938511258233208,157.53240974525323,7.852198074262722,450.00602692442885]
[152,"N/A","N/A","N/A",2.4415,466.3752,1,99.08728045039474,85.74561645453255,101.03158308468367,145.0176328650543,31.714058457706177,150.17916889538733,83.56688072915092,121.81160234329234]
[153,"DL-2-hydroxy caproic acid","Fatty acids ","C6H12O3",2.1609,133.0866,0.1,82.82946300583649,93.53970353397901,130.04537735268426,115.01981865398457,67.64082022311477,99.83210024698155,87.60203807286926,134.45086582308144]
[154,"N/A","N/A","N/A",4.9158,680.4821,4,91.45393086947381,96.05601677569659,95.29915501874034,89.90017394115748,116.03163270182048,123.2518536809601,82.66772168393376,107.70543379027535]
[155,"N/A","N/A","N/A",1.8391,269.1749,2,33.526186863650835,64.64162682403136,88.8793607214316,54.80728629684096,43.7582501311234,158.17623691530167,169.05867870183712,163.31137028705334]
[156,"N/A","N/A","N/A",1.3596,349.1598,2.9,0.17285757459140252,3.073224079189146,5.534564116669015,20.52995744813992,0.5950943254320005,123.94861295055954,353.3428121778176,220.3793384182777]
[157,"C17 sphinganine","Sphingolipids","C17H37NO2",2.6335,288.2895,0.8,135.25747222717445,241.11663438868322,47.526733066929694,156.6209088680997," –"," –",75.02753905884015,99.32799252489748]
[158,"11,12-Dihydroxy arachidic acid","Fatty acids","C20H40O4",2.5272,345.3001,0.4,95.42863225919092,90.15027489635305,118.60959127969565,85.43520643909767,74.75960668920152,129.59506365163915,93.2227354123522,86.69116576449912]
[159,"Pipercitine","Piperidines","C23H43NO",3.0341,350.3399,2.4,41.08691580672568,84.44082854345484,11.420782171621813,3.661338422869539,3.7716749044672437,50.186111855893664,416.5508712682308,32.34866827182191]
[160,"N/A","N/A","N/A",2.0309,299.1618,2.3,55.96596395809332,79.68443694112598,104.14770584979568,109.9410130158631,152.72401977524535,148.64845899612777,38.56469502925826,117.37555469244289]
[161,"2-Oxo-heneicosanoic acid","Fatty acids","C21H40O3",2.8456,341.305,0.6,11.999793284652865,98.48706137244247,150.85485080456533,29.43928657843414,214.744374027531,229.4833367389605,25.930709666181702,22.17414645577036]
[162,"8-Hydroxyguanosine","Purine nucleosides","C10H13N5O6",0.4454,338.0491,0.6,85.05104082839583,81.65094506578632,83.18631789657603,97.87573163125894,99.2878423635292,115.54213134432241,85.94252146354566,114.19198080843587]
[163,"N/A","N/A","N/A",1.1475,416.2281,0.5,109.74512617372264,110.12179033582358,76.7909049389883,161.9697599053013,79.43685991497833,42.35432161620989,31.97620054950344,153.58764155828942]
[164,"(2E)-2-hexadecenal","Fatty aldehydes","C16H30",2.2135,239.237,0.5,36.50056453768515,145.43988544010045,147.89345577229815,87.74957142559163,150.93638464746542,77.59089621320922,1.35140782707785,117.76299307557117]
[165,"N/A","N/A","N/A",0.4732,216.9241,3.6,57.07470721760268,81.99823715103572,71.54141494828801,85.71935059395307,88.00692384664431,165.441977763869,89.92734420422386,105.2358186877563]
[166,"N/A","N/A","N/A",1.0586,355.0633,0.7,88.48671297663559,84.75880953199523,66.96710051909258,103.84058984387224,87.02372452636536,119.7929030123439,88.67279235572326,97.13250835383715]
[167,"N/A","N/A","N/A",1.4161,451.1651,1.3,80.00134943337952,78.55018631999172,196.84931044441316,98.54813382977171,47.59343312565651,78.7953715397261,40.90677936162625,114.93639858230814]
[168,"N/A","N/A","N/A",2.2286,403.3061,0.6,56.03653894416911,108.98309863943035,131.43417597294632,141.94410410604593,31.6776001097054,93.16913718513749,44.77262940420957,123.9010892208553]
[169,"N/A","N/A","N/A",2.0663,585.3384,3.7,137.8094228106392,114.7387321750216,78.54542365506553,98.29218718646686,67.11393829071648,88.77037168775922,46.015741570201044,94.26327127123609]
[170,"N/A","N/A","N/A",1.4031,300.1812,2.9,114.96562949156002,78.87349659884283,77.34980026490067,118.51414104690093,77.81857969404072,73.6145072653091,52.46085869584151,138.70050444053896]
[171,"5-Propylideneisolongifolane","Prenol lipids","C18H30",2.3691,247.2421,0.5,43.82706635305921,95.70961290549899,89.60704993772016,19.512677992970602,6.628362881689238,118.76342768842406,221.43107051960806,41.084307287639135]
[172,"N/A","N/A","N/A",2.5774,319.2994,2.7,99.98020744813611,52.04673738966659,89.9962136294209,98.05250833828731,1.985215852429282,2.3657407758493076,263.8814443744654,5.344943983596953]
[173,"D-4-O-methyl-myo-inositol","Cyclic alcohols","C7H13O6Na",0.5597,217.0682,0.6,6.486761763660796,4.647141150958848,1.169366562773003,113.99711660044014,22.13374546369614,194.19274979548058,142.36913676255017,219.97118792032808]
[174,"L-Phenylalanine","Amino acids","C9H11NO2",0.8579,166.0862,0.6,83.79091933788335,75.57111303629218,73.42909328899536,70.77250043281917,88.04103004316117,152.51790349799634,71.63224129013214,73.54871973052138]
[175,"Sodium formate","N/A","N/A",0.488,498.903,3.8,101.03883223927282,85.41342402516355,75.58871734197548,100.7583849274637,113.33489102550512,72.15293316954467,53.877854035971666,95.29278521382543]
[176,"Sodium formate","N/A","N/A",0.4864,634.8773,0.8,105.02478471372663,92.28021459054253,76.11104065830634,106.85338550107944,116.85135749396693,47.34938341873372,44.63077734109642,105.20901477445813]
[177,"N/A","N/A","N/A",2.2105,972.9787,1.1,76.40202514351476,84.12995327532877,101.39542769282797,92.77089752093698,62.6824848950094,83.66944568613346,74.17795197116253,98.01825585237258]
[178,"Histidinyl-Leucine","Peptides","C12H20N4O3",0.4315,307.1129,3.8,38.79374017220541,60.286708425111016,88.10384656953643,106.34691481284484,36.04319326386268,112.16203870156784,16.97801413454125,262.9731933684828]
[179,"N/A","N/A","N/A",3.7695,503.1081,2.4,97.75453832203617,84.76857989756489,105.6377808042835,98.9580822669295,50.59948272210748,56.13395145033489,73.89424784493625,99.72274106619801]
[180,"Sodium formate","N/A","N/A",0.489,770.8524,1.2,99.07398371388771,77.57759083828302,87.40991613132309,102.72028101957596,111.04859978313395,58.469445312155074,46.16598273382087,104.91295336848272]
[181,"N/A","N/A","N/A",2.7093,430.3518,1.9,7.423670274463903,130.45925037663105,171.98784587966747,42.923119697965234,150.68352836294392,106.65710034826736,27.737416857122685,26.44327882835384]
[182,"N/A","N/A","N/A",0.8251,152.0708,0.4,93.50878807275267,84.34223667270628,82.17730552966043,75.91854629079191,99.12907213836452,89.83225441956739,53.64372186728493,83.01415620386643]
[183,"N/A","N/A","N/A",2.2684,512.4149,0.6,49.57841630529268,141.39140123404724,75.8494101282232,62.294810133183155,47.429958597524,140.03997121405328,39.2053172497692,100.41842445225542]
[184,"Pipericine","Fatty amides","C22H41NO",2.2712,336.3254,0.6,11.635667269537247,0,38.36872677018459,245.32702664705945,40.54521120408738," –",254.12339519418265," –"]
[185,"1,2-Dihydro-1,1,6-trimethylnaphthalene","Acenes","C13H16",2.3686,173.1323,0.7,110.66771512213354,46.91018974517213,51.73532740031,124.39440672486262,183.03854810001855,40.68425986303042,53.85497467095342,54.42534595196251]
[186,"Niacinamide","Pyridines ","C6H6N2O",0.8449,123.0564,1.1,77.34302495785849,59.67472825442856,60.25379240129633,75.7341779460384,88.18803951090622,135.41651435531583,65.48913178273253,92.8706861394259]
[187,"Linoleamide","Fatty amides","C18H33NO",2.209,280.2632,0.8,9.027461262388869,0.6848138049291421," –"," –"," –",18.32098792621199,462.20969474414727,0]
[188,"N/A","N/A","N/A",3.77,519.1393,1.7,86.0329536781458,81.87566347388888,93.82220847794844,82.1621260598855,72.33806673650491,51.26311804471639,69.77214891414857,91.05533019332164]
[189,"N/A","N/A","N/A",2.2677,556.4414,1.3,56.60932143985658,112.92322060916537,76.458005877413,67.16972607240075,48.590745354838994,124.42284135265902,52.35713890775878,87.97897196250732]
[190,"N/A","N/A","N/A",2.2104,972.48,5,71.72771084835078,81.38536876530146,90.45477036494293,81.61661266335014,56.32579550971303,78.93904438136445,74.9581383182848,85.94065619214997]
[191,"5,9,17-Hexacosatrienoic acid","Fatty acids","C22H46O5",2.5014,391.3416,0.7,40.65426045730459,169.14279231213558,81.61653471607721,59.178985106848984,35.35871718204169,134.70139088791296,32.1660992791549,66.1557130990041]
[192,"3-Hydroxy-cis-5-tetradecenoylcarnitine","Acyl-carnitines","C21H39NO5Na",2.6113,408.2791,0.1,50.79967041216921,16.900067790384938,111.82595237424265,6.947433038181951,10.345938302026301,2.7351852257764597,302.46062966823524,23.980973884007028]
[193,"2,3-Dihydroxy-valeric acid","Fatty acids","C5H10O4",1.7592,135.0812,0.2,281.0776673703572,62.839438483951945,35.08662334620262,99.63916062284243,156.70503616178155," –"," –",14.146374422964266]
[194,"N/A","N/A","N/A",3.48,413.3266,2.3,157.7207743169755,105.06695847609369,127.49190088882627,93.06480235286757,30.520341579616293,12.762037226430921,12.561534040518776,82.53046740480376]
[195,"Anandamide (20:2, n-6)","Fatty amides","C22H41NO2",2.2307,352.3214,0.2,83.71829870003725,59.68361040494644,50.640042600535445,58.450187885235145,190.1596867175892,76.2524702674205,53.42636789961157,59.49737736379615]
[196,"2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone","Prenol lipids","C38H56O3",1.7959,599.3905,4.4,106.95690281078673,71.76777618453266,65.94964845765817,83.8268637610421,78.11730293249867,72.63256280629219,39.1954028582613,102.28738822495608]
[197,"N/A","N/A","N/A",2.0871,281.0521,0.1,40.06408992156945,49.113851288660065,69.86660445822179,56.68242081495156," –"," –",202.33824041188004,134.76763934387816]
[198,"9-Hydroxy-12Z-octadecenoic acid","Fatty acids","C18H34O3",2.0534,299.2591,0.5,101.2188495950603,83.01435517028209,88.24357040101452,88.53476367030655,71.44189702113103,53.393364989910374,36.42394910905085,77.40360980667838]
[199,"Heneicosanedioic acid","Dicarboxylic acids ","C21H40O4",2.4374,357.3004,0.1,114.68435237314205,77.88935432146086,92.22429298238691,77.50519857534705,68.97096188727207,45.19753153494751,36.44454053756728,79.99018743995313]
[200,"(1S)-1,2-Dimethyl-1,2,3,4-tetrahydro-6,7-isoquinolinediol","Isoquinolines","C11H15NO2",1.7875,194.1172,0.9,59.414932842840116,74.74418482307684,66.45884336029307,76.0074769041436,44.008754264160984,75.28132827769973,75.83136741648126,111.2496421441125]
[201,"2-Oxo-heneicosanoic acid","Fatty acids","C21H40O3",1.964,341.3031,2.5," –",50.833435628923134,2.690387063829788,1.3730019085760774," –"," –",391.3210328171082,3.1518965319273584]
[202,"N/A","N/A","N/A",0.5096,266.1595,0.5,71.55894457730003,76.69825793701213,74.92104373115401,34.32070963570185,125.36614586576077,65.10216145997003,63.372790518544605,53.25328392501466]
[203,"Sodium formate","N/A","N/A",0.4887,838.8388,1.7,93.68062282145891,73.6392452986516,71.93901833450755,92.87718044908901,65.32395101145264,56.205247747689256,35.42564614875463,82.85333272407733]
[204,"N/A","N/A","N/A",1.7601,432.2398,1.5,283.0916115382298,49.756918986155135,20.21494386022263,85.96445204050771,128.3580825533082," –",6.959140193050441,6.906881113063855]
[205,"N/A","N/A","N/A",1.3541,330.1924,0.6,79.41936150472563,60.60202476849603,60.57543853684655,89.52493013360035,57.80177056587343,59.213735446657445,49.67262674561768,112.03061070884593]
[206,"N/A","N/A","N/A",2.4232,654.332,1.2,77.28370105651942,61.96365844288822,91.72072454276456,76.32741020827469,48.07209595263442,40.620525294183345,66.84511548281404,86.61197238429995]
[207,"N/A","N/A","N/A",3.0085,387.3472,0.2,30.986510190807927,66.90124591578198,79.88639733972101,34.11139733842287,41.281434618554634,148.27361331155254,96.82165952972261,31.266764862331573]
[208,"N/A","N/A","N/A",4.5634,369.3504,1.7,0.6904074724804539," –"," –",0.8231504333406341," –",38.86296353970533,385.1359778071751," –"]
[209,"N/A","N/A","N/A",2.0459,395.2779,3,101.72821688586811,68.16428771942562,81.7637604982387,83.48415554373561,76.94710756924802,97.52037181761281,17.934371592304018,26.948898101933217]
[210,"4,6'-Epoxyorotiniflavan-4-ol","Polyketides","C26H28O6",1.7599,437.1945,1.9,124.27129939471139,93.3514019429998,47.48078361899395,85.88094402553112,151.49854885212252,1.8234568171843064,6.743311516378302,45.872460890451094]
[211,"N/A","N/A","N/A",0.5306,439.1417,2,12.602237731009883,89.50543076875441,200.22237502043114,24.06223802968201,77.98205422217323,92.71867421548947,3.089476922964092,32.32430107791447]
[212,"1-(4-Morpholinyl)-1-nonanone","Morpholine derivatives","C13H25NO2",2.3805,228.1959,0.5,103.2338165888181,21.355354490157413,36.34320008567,103.45992343794002,205.50629907443147,25.893518902788994,46.63043384369131,10.5814539543058]
[213,"Pentanamide","Fatty amides","C5H11NO",1.1676,102.092,0.1,87.25216213325203,62.27098085080713,63.31271279244752,86.5956424913697,58.409801724466995,41.775309261938084,39.63011079360801,101.95477602811951]
[214,"Linolenic acid","Fatty acids ","C18H32O2",2.0522,281.2488,0.7,93.60186522830189,82.22650841934544,85.1593309263069,72.06741692479376,56.46810067449026,63.11234661562555,17.71778027013127,65.57455552431166]
[215,"N/A","N/A","N/A",2.1489,441.2437,4.1,10.584202259596648,124.56150243275361,160.23322690263493,62.14297737868027,46.244474249627835,48.271914296621986,0.2577741792055944,68.9835259519625]
[216,"N/A","N/A","N/A",2.4269,494.3481,0.7,9.232026439420114,97.6921089010915,105.76343847823024,33.86738041154324,127.5583510487751,81.84598886894915,35.54080561934648,26.231284241359113]
[217,"N5-carboxyaminoimidazole ribonucleotide","Purine nucleosides","C9H14N3O9P",0.449,340.0452,8.8,53.794504603906645,53.19431123657768,51.94444427560942,53.32149434206273,70.71273006111552,91.43858160389978,60.0987533844333,91.0480200351494]
[218,"Edetic acid","Amino acids","C10H16N2O8",0.3953,293.0986,0.7,91.05502877426288,67.23699120535815,81.75813403522616,84.53613962850558,84.37755410695429,13.856327366127427," –",122.79116353837142]
[219,"2,4,7-Tridecatrienal","Fatty acids","C13H20O",2.3734,193.1594,0.2,80.21000591395139,42.63521070091277,50.459058040298714,85.45906587194813,137.1574812546565,58.29984654420606,31.927391237464512,45.52035493848859]
[220,"Hexacosanedioic acid","Fatty acids","C26H50O4",3.3411,427.3779,0.8,21.909953285931557,30.71181184570032,18.353522346907145,0.7504876151142539," –",431.0595742983361,9.52620494809787,25.28949219683656]
[221,"2-Amino-3-hydroxyoctadecyl beta-D-glucopyranoside","Sugars","C24H49NO7",2.4075,464.3573,1.4,4.085166585313975,38.987311483216295,46.802794825982815,29.585696734561918,16.70733199029051,252.0108062090799,90.36586536707361,19.36460899824253]
[222,"N/A","N/A","N/A",2.2716,468.3902,0.2,38.3968837287648,116.25935634368396,50.42811249372975,51.717489742707265,39.68314768523035,105.82098922474802,34.21761567579114,71.43608401874634]
[223,"12-Oxo-5E,8E,10Z-dodecatrienoic acid","Fatty acids","C12H16O3",2.1607,209.1154,2.4,56.41191604402143,58.073276516053404,77.1350569265887,73.04782271101239,47.6651737459161,62.23194536799213,51.444252243530684,81.74218868189807]
[224,"N/A","N/A","N/A",0.8268,170.0848,3.1,63.33031033121816,50.1956972217388,60.42821275468508,38.03085144394732,66.11897821301791,57.91203789647552,88.78185066231023,70.53084276508494]
[225,"N/A","N/A","N/A",4.2145,653.4547,2.5,32.822482654663354,95.42005479861584,143.57326992250248,23.761826079701308,25.96187200377749,62.48364290259162,58.45906555812554,26.67598553016989]
[226,"N/A","N/A","N/A",2.9135,413.3263,0.4,169.65101544143775,68.3232782136958,138.3125270057771,25.786624312964765,61.67341190840731," –"," –",29.306424112478034]
[227,"Lyso-PC (18:1)","GPLs","C26H52NO7P",2.0831,522.3589,3.8,34.32705953172817,0.6750434393594656,0.3169574163731155,9.512322069605668,13.635422152289747,44.70061794732619,298.8136588843265,2.029787252489748]
[228,"N/A","N/A","N/A",4.6949,473.3992,2.1,26.808266449944735,47.471541657902634,71.29478831957167,16.520488209588773,56.05176986183624,171.96126798407477,48.324269500542265,52.655069314587]
[229,"Methylphenylalanine","Amino acids","C10H13NO2",1.2397,180.1022,0.3,16.212813105611367,23.54036351755779,39.61311283979146,61.06930290040988,38.57410826056162,63.33811822391436,118.31529767336541,117.6362836672525]
[230,"Oleic acid","Fatty acids ","C18H34O2",2.5428,283.2648,1.1,51.6342963344567,76.614765722144,74.61440149697056,75.6853745606625,45.61644980342095,71.05000105441127,23.771660253959702,72.92857464557703]
[231,"N/A","N/A","N/A",2.2627,600.4655,1.8,47.143067872735706,80.20581917652598,54.555123113428216,53.660949000344175,42.613928434195856,100.85293359546448,38.000337358808146,69.67311753954307]
[232,"Piperidine","Piperidines","C5H11N",0.818,86.096,1,66.01625110563842,32.123185562992674,36.46135580893335,73.89917065590356,59.59763822384708,118.98379806206484,55.80200863400633,43.72205602811951]
[233,"N/A","N/A","N/A",3.1917,394.3481,0.7,46.446523444944305,51.052824746714954,51.816911113991836,73.91001585265377,56.86326212378898,58.643365067822536,59.05774227610302,80.9319794844757]
[234,"9-Hydroxy-12Z-octadecenoic acid","Fatty acids","C18H34O3",2.3351,299.2592,0.6," –",18.392269077390072,51.83847922220657,36.032081682884346," –",120.57284129552342,144.60216278833119,74.94861502050381]
[235,"N/A","N/A","N/A",2.916,565.4108,1.7,125.54471762173088,63.89463796547701,107.18412038889673,46.446724122107156,44.35099230507148,27.163889292012186,10.294188967210394,47.85107703573521]
[236,"N/A","N/A","N/A",3.0171,519.369,4.3,172.67755723561504,84.82631387593116,47.56424282034663,66.88558191754535,49.59981834144108,5.085802544611205,3.6065505723764972,45.03057434094904]
[237,"4-Alpha-carboxy-5-alpha-cholesta-8-en-3-beta-ol","Sterol lipids","C28H46O3",3.6201,431.3513,1.2,9.252482957123236,11.066271330236292,99.91285468902356,6.83572751165483,4.106856490925979," –",227.2874253187789,33.6803354188635]
[238,"Thromboxane (M+NA)","Oxanes","C20H40ONa",2.2727,319.2939,3.8,13.52994080884658,95.42538408892658,65.04378791263915,82.79223199107247," –",41.89629691805459,88.95649648194954,49.86380725248975]
[239,"Tryptophyl-Arginine","Peptides","C17H24N6O3",2.0074,405.1617,0.4,50.298485728442664,65.06530540373461,50.937307396364666,88.7061177789598,43.770010888543,36.033796831052676,56.454833182527004,70.54668144112479]
[240,"Flakinin A","Prenol lipids","C15H20O5",1.7585,281.1387,0.2,203.97398366962528,44.04569620315335,22.696214048752996,71.70410283366186,118.78835424097582,2.0060185482886594,2.445804120450714,16.892557176332748]
[241,"2-Oxo-tricosanoic acid","Fatty acids","C23H44O3",3.0081,369.3353,1.6,22.838679189653416,58.42500967656176,77.45670306213894,35.49849800277422,45.037820538376394,111.92654487091254,70.45090340968993,20.241827978910372]
[242,"N/A","N/A","N/A",2.5037,435.3692,0.3,31.946943696969623,102.52843985808137,49.072134907707486,51.47238829615261,20.676587619407112,99.51666814353497,34.95280593837751,59.427930861159936]
[243,"Tryptophyl-glutamine","Peptides","C16H20N4O4",2.3167,371.1018,9.8,39.08422272358979,43.968421493647725,64.80091225926448,47.77959880270747," –",99.31898295541608,59.64040343856773,89.64568802577621]
[244,"N/A","N/A","N/A",3.1886,456.407,1.7,56.22269325526754,75.74520318644278,59.71177646442159,61.974876829052086,40.499344250150926,51.15401310482562,35.44547493177045,61.741595922671365]
[245,"N-(3S-hydroxy-butanoyl)-homoserine lactone","Fatty acids ","C8H13NO4",1.3593,188.0929,0.6,0.2587749489445257,1.4691076956586264,3.5606133431027196,10.707462751478365,0.39751360078264064,71.09861216624377,196.49332529521828,120.46775159929702]
[246,"Oleamide","Fatty amides","C18H35NO",2.3626,563.5504,0.6,15.367958924472326,35.09515312627791,33.183003360293085,8.145827279079715,3.572918104075923,49.621142711706824,211.611247053776,14.703164803749267]
[247,"5,6-Epoxy-8,11,14-eicosatrienoic acid","Fatty acids ","C20H32O3",2.1581,359.2064,8.6,53.228881889415256,57.980902150667376,91.1899615319149,53.530806639341705,37.58855678879875,46.21728463650081,27.58793833900347,73.35743725834799]
[248,"N/A","N/A","N/A",2.5102,540.4496,3.1,34.88347681325315,76.02499092775625,56.21868067746936,45.490177768738995,29.149037264490378,95.78117426093823,34.84603556829236,61.53691149384886]
[249,"L-Leucine","Amino acids","C6H13NO2",0.818,132.102,0.5,38.27823592608667,43.41772816153868,29.89058475412146,60.67236869935234,42.46221466348295,116.55000172964999,51.68296028522107,51.571947545401294]
[250,"DG (20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/0:0)","Glycerolipids","C37H62O5",3.5253,625.425,2.1,30.325764668997003,68.74073928803652,126.41349547808935,33.0702584504031,30.677935729038992,43.23148212305447,56.14748704578187,17.032668541300527]
[251,"5-Beta-cholestane-3-alpha,6-beta,7-alpha,25,26-pentol","Sterol lipids","C27H48O5",2.815,453.3583,0.3,14.827906857109838,92.14609411772243,120.48226571903622,48.884724351553466,49.751532112153974,47.2078710709546,13.430187265711591,32.675188670181605]
[252,"(9Me,4E,8E,10E-d19:3)sphingosine","Sphingolipids","C19H35NO",2.448,294.2788,0.9," –"," –",3.1733251390728476,1.9217688641364998,1.3889454512553212,57.89043295788329,269.92464732128536,4.009621757469245]
[253,"N/A","N/A","N/A",3.0186,501.3586,0.6,147.91391973009758,73.63746886854803,49.08245008989714,70.8527548887707,40.02068142317301,2.501851888980364,2.851531526774312,37.68142865846515]
[254,"N/A","N/A","N/A",3.2099,338.3409,1.4,18.120383381427732,56.88750942191539,104.45059710863747,44.11609134048789,7.911461516168116,58.89722309628125,46.10192051176977,61.40167356766257]
[255,"N/A","N/A","N/A",2.5511,515.3353,2,47.43661890177554,35.75776155491233,53.322927713681835,65.70237095209788,65.49330591829495,68.55247015314934,32.04865187206123,47.742643022847105]
[256,"(9E,12E)-9,12-octadecadienal","Fatty aldehydes","C18H32O",2.0211,265.2541,1,69.47953955277741,59.29457221226296,71.8086719413837,63.42271059520458,36.567723044777054,36.46697584982691,15.337563662732867,53.4470031165788]
[257,"Lyso-PC (20:4)","GPLs","C28H50NO7P",1.9465,544.3401,0.3,47.24739611302164,0.15010834375230225,0.15847870818655774,10.9829307489336,13.630717849321906,9.83780878797244,232.55806837348266,1.6447855887521972]
[258,"N/A","N/A","N/A",3.1192,354.374,0.4,33.23877278992194,49.03924122430981,100.44361769987319,41.21174765078273,31.010765164013808,46.36851920664643,35.087794191985175,41.10501940246046]
[259,"N/A","N/A","N/A",3.3999,547.5201,1.8,51.51769418354889,32.01926440193339,21.9235131283641,25.792046911339867,170.88027707963116,59.72577249129331,22.06333433259718,16.267538652606913]
[260,"4-Methylene-L-glutamic acid","Amino acids","C6H9NO4",0.8239,160.0606,0.4,4.911609900520205,9.888498171564382,17.85839360180358,25.35823904133163,4.366769229899244,135.67253287763376,82.06446909295263,97.9000749619215]
[261,"4-(Heptyloxy)phenol","Phenols","C13H20O2",2.369,209.1561,1.9,67.54026167452119,21.638695091678027,34.06354482175568,65.80540032122484,112.76919859362212,32.636420237424325,29.865960449320365,26.427440152314002]
[262,"N/A","N/A","N/A",2.2695,451.3639,2.5,29.870607150102476,96.18747260336133,38.734446865999715,49.612437053492286,10.875172385908513,79.94907526055127,21.404408620071635,46.60956850615114]
[263,"N/A","N/A","N/A",3.4396,653.456,3.6,19.99726888068941,63.3892436010092,108.39756091193463,17.27748294275315,36.51715178787275,66.07438369662043,28.22169675000894,25.434477000585826]
[264,"3-Dehydroxycarnitine","Acyl-carnitines","C7H15NO2",1.129,146.1177,0.4,13.737574463533296,19.331112387130805,33.69688698210511,48.80338537592692,31.561168611251308,53.059568688660406,83.20386147086138,84.54563434094904]
[265,"Linolenic acid","Fatty acids ","C18H32O2",2.3168,281.2494,1.3," –"," –",25.187799419473016," –"," –",123.03040306038973,153.57850033049047,31.612779015817225]
[266,"N/A","N/A","N/A",2.1509,573.4017,3.9,54.7140250746621,26.89159890795682,108.2812806763421,46.36755418583065,12.472283243490839,35.64598818332212,28.787579711460275,54.23528183948448]
[267,"Cis-5-Tetradecenoylcarnitine","Acyl-carnitines","C21H39NO4",2.6884,370.296,0.3,10.657845723327895,96.1910254635685,94.36422441482317,49.0864450111073,40.09006989194868,23.27175960462175,18.024363761375795,27.974756965436438]
[268,"Cyclocalopin F","Prenol lipids","C15H18O6",1.7575,295.1182,0,162.40429404510587,38.6071554410507,22.67277045286741,58.41548325563448,82.13242551555174,0.36512346220870595,2.1659132217274797,14.825000773286469]
[269,"2-(Phenylsulfanyl)-4-quinolinecarboxylate","Amino acids","C16H10NO2S",3.776,281.0508,0.2,42.193613414464714,47.80195765716806,50.73663021558405,54.41794373350856,34.42138481569919,35.28194496804303,40.29666296113964,59.274417539543066]
[270,"N-Undecanoylglycine","Amino acids","C13H25NO3",2.3696,244.1903,1,59.06512639011669,35.48685596411676,41.16507888741722,65.45835402521824,67.70550438892259,33.37963012499708,31.81375705787388,35.53589723491506]
[271,"27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol","Sterol lipids","C26H46O5",2.7214,439.3427,0.4,19.350842921270676,82.98237942841769,108.54384895026068,32.49220946361712,54.12300564502107,27.081790525361708,9.00608071668303,24.06382234329233]
[272,"N/A","N/A","N/A",2.2089,560.4162,4.3,35.65059622712032,41.55158833773048,77.36761739777371,52.546062774423,37.661473484800304,42.225772231586106,33.77528128543834,37.13682187463387]
[273,"N/A","N/A","N/A",2.3953,175.1478,1.5,56.599093181005024,20.02836120278499,30.255367106101176,89.35140698559705,138.49350329752357,10.120833483530667,11.695931397328392,21.24941144698301]
[274,"N/A","N/A","N/A",2.5041,441.3208,2.2,2.3146549781085435,101.15792403317128,96.90363472114979,53.920149202674104,33.98035641246401," –",13.697113190924487,42.59141823081429]
[275,"N/A","N/A","N/A",2.0043,339.2898,3.1,70.63430997711879,56.651244218139574,56.18398415555869,48.22642090881597,12.612236256784135,8.715432228106032,59.27280830727455,13.28986755711775]
[276,"N/A","N/A","N/A",0.8151,364.2325,1.3,33.567099899057084,57.352934109052704,135.68590652275608,18.612526662703505,40.06890052859339,22.61172873062909,5.996681571282807,27.107284862331575]
[277,"Indoxyl","Indoles","C8H7NO",0.8301,134.0603,2.1,44.948083523190434,43.96753327859593,36.41634410483304,49.628704848617595,47.85334586462977,48.58626615313895,28.8081711399767,43.142116813122435]
[278,"N/A","N/A","N/A",2.4951,427.3053,3.3,14.439233020750471,74.8498824142397,60.849259736790195,49.136332916158246,27.64483639052293,41.33564876158619,29.759952724735815,33.42326152314001]
[279,"N/A","N/A","N/A",2.213,516.3897,0.7,36.38498521266249,39.55932197656826,68.2011714065098,41.14559195060648,13.060321114471078,38.88780921908641,37.61672667200219,56.08840693614529]
[280,"N/A","N/A","N/A",3.0136,312.326,0.6," –",35.947839575995125,110.74379598816402,32.83817123994869,13.061497190213037,51.60879706219208,26.18162003588182,60.891180855301705]
[281,"DG (20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/0:0)","Glycerolipids","C37H62O5",2.9921,625.4242,1.3,8.19999512129748,53.82849678355486,101.29977782161478,23.15557958136479,35.922057462440755,36.506944986222535,39.65527809512809,21.229917691857064]
[282,"N/A","N/A","N/A",2.4367,339.29,2.6,59.43845783819872,34.36415213865575,56.857284229392704,26.492646621403175,42.69154943316524,18.142747182826085,45.11200665198024,44.57734453427066]
[283,"N-ethyldodecanamide","Sterol lipids","C14H29NO",2.1451,228.2332,0.5,37.04777638624373,25.068981621686262,46.57492307397492,23.974391936005343,33.44877017709787,56.829630473004734,73.15295641834503,21.312766151142355]
[284,"N/A","N/A","N/A",2.6865,410.373,0.3,78.63894535435142,94.50430508022161,37.81639565112019,49.804397035970936,29.800583225536478,2.02006175837361,17.437889371408033,13.43485236086702]
[285,"4-Dodecylphenol","Phenols","C18H30O",2.209,263.2377,0.2," –"," –",0.5504556313935466," –"," –"," –",247.5249863229199," –"]
[286,"Glycerophosphocholine","GPLs","C8H20NO6NaP",0.4746,280.0931,2.7,7.761202816565457,0.07461006435025674,0.4744983807242497,10.158695795917945,4.366769229899244,1.4583333549756008,197.6273791546228,51.819274563561805]
[287,"9-Oxo-2E-decenoic acid","Fatty acids","C10H16O3",3.3391,185.117,0.8,18.781128903238656,22.641489885147553,14.775091870931382,1.762344471908472,6.888275620662503,243.36234929060976,12.640086527081428,15.828929162272996]
[288,"Heneicosanedioic acid","Dicarboxylic acids ","C21H40O4",2.0216,357.2997,0.8,44.89080527362169,55.74526486531503,48.002169191489365,59.69521647215878,44.06520589977509,27.580864606842248,8.573660717838145,39.197068119507904]
[289,"4-(Hexyloxy)phenol","Phenols","C12H18O2",1.8392,195.1392,0.7,15.736176243128567,32.20312491765367,36.924601263632525,23.477681924845907,16.078131468341656,65.46188368753067,53.541527370203426,58.07676995899239]
[290,"N/A","N/A","N/A",2.2076,604.4432,2.1,27.53856413194628,42.04632412157682,60.432901473862195,37.127446554655165,18.275040954323824,42.106945069328845,31.436247535072784,43.108002741652015]
[291,"N/A","N/A","N/A",2.4286,445.1206,3.2,20.287751432073783,25.633886394623918,32.55190175905312,27.533785509422948,6.056790071096447," –",109.51436859634602,56.33329723491506]
[292,"D-1-Piperideine-2-carboxylic acid","Amino acids","C6H9NO2",0.9529,128.071,0.2,0.34571514918280505,2.602470101741098,6.933677919120756,13.83413297456275,0.7938511258233208,85.79861238439783,98.2691606898771,86.19407500878734]
[293,"PC fragment","N/A","N/A",2.0313,184.073,1.8,31.481557919223537," –"," –",1.4706086793279314," –"," –",202.68600676015743,6.22703640304628]
[294,"1-Aminocyclopropanecarboxylic acid","Amino acids","C4H7NO2",0.9523,102.0553,0.2," –",1.4238087280173992," –",15.286304819415333," –",92.42484705063512,98.99214862445373,86.42190827182192]
[295,"N/A","N/A","N/A",2.2689,390.313,1.1,15.31784045609967,16.560769640601627,28.868443973509937," –",5.031252024106912,3.8283951185433542,164.43018315864552,5.1682818277680145]
[296,"Alpha,4,2'-Trihydroxy-4-O-geranyldihydrochalcone","Polyketides","C24H28O5",1.76,397.2008,0.7,138.40470747580014,32.539758422281615,12.061261211216008,43.37211084342376,65.47566478216552,0.36512346220870595,1.9516098360565568,8.636951880492092]
[297,"N/A","N/A","N/A",2.5054,496.4234,0.8,23.540337746870584,61.654559604865725,13.933935650556574,37.710918139816236,17.9692612614141,82.75555678368208,18.55363973879793,31.890565026362044]
[298,"O-xylene","Benzenes","C8H10",1.7596,107.086,0.1,125.02307642030121,26.6953033815115,13.48850732873045,36.43660752166704,67.97717788531546," –"," –",12.112932091388402]
[299,"N/A","N/A","N/A",1.7539,409.1215,0.5,44.906147661899034,36.50919148872563,125.64642102071298,15.919664309627361,28.010595946272637," –"," –",10.410883596953722]
[300,"Pipercitine","Piperidines","C23H43NO",2.6877,350.3409,1.4,59.18786549633544,80.86309831484968,18.904915722136117,40.271469092539874,25.442046525830957,1.4583333549756008,17.69108767760998,10.10507531341535]
[301,"Lyso-PC (20:3)","GPLs","C28H52NO7P",2.0292,546.3575,2,17.450432426650405," –"," –",3.865228121773412,3.970431704858564,3.646913634368613,159.99768750911028,28.49134147627417]
[302,"N/A","N/A","N/A",2.0803,299.0642,4.2,9.401815536356047,9.185920065599467,18.631094522192477,13.552157859057395," –"," –",111.44920023138917,74.75489582893967]
[303,"4-Methylene-L-glutamic acid","Amino acids","C6H9NO4",0.4326,160.0595,1.5,21.607196823925314,26.974202907773172,33.989463058757224,42.65958141693523,24.772859428655448,30.97608070661137,3.7300991434750363,94.19869820738138]
[304,"N/A","N/A","N/A",3.3409,315.2528,1,12.13992043091927,15.822662932565159,13.49976025475553,3.113655986984137,6.1532282819372055,198.9717622120821,9.014469817189722,12.543013063854715]
[305,"N/A","N/A","N/A",2.1295,478.3283,4," –",0.22471840810255897," –"," –"," –"," –",183.8479002496326,1.8056090685413007]
[306,"N/A","N/A","N/A",2.3243,653.2827,2.7,40.517201788693654,14.42105958084248,22.153260368042837,20.53429552684001,7.088208496795784,25.342592968687104,75.19074519597031,15.3196548096075]
[307,"N/A","N/A","N/A",2.5018,347.3152,0.9,15.18794156868483,63.45141865463441,37.16466368550092,28.183412794760283,16.024031984211472,25.69583371467008,17.591943762530907,24.994649150556533]
[308,"N/A","N/A","N/A",2.5593,470.3487,3,8.339099441678727,57.87609277455629,30.332262100605888,62.16249873283064,16.65911288487013,15.558796527195243,12.357145046355758,27.447207217340363]
[309,"(9Me,4E,8E,10E-d19:3)sphingosine","Sphingolipids","C19H35NO",2.246,294.2806,0.9,19.356979876581615,31.50587610199948,34.52960350796111,16.232005976033292,4.1680124295079235,62.35509351796784,38.99864031910437,12.853694786174577]
[310,"3-Hydroxy-3-methyl-2-oxo-butanoic acid","Fatty acids","C5H8O4",1.7584,133.0658,0.5,109.06187848243826,24.427690354294764,10.483038336198394,29.908883597718056,54.43466571664059," –",0.45072349085948604,10.73984071470416]
[311,"N/A","N/A","N/A",2.0414,149.0454,2.3,21.162267563882356,15.819998287409792,28.406136262646193,20.173150475058144,7.655077004420733,10.196450768603476,65.26567665105432,47.88031766842414]
[312,"N/A","N/A","N/A",2.4219,637.3087,4.2,28.497974812222818,20.07010731021906,41.70146836127942,33.19497821303047,13.740092893324231,19.690741032959444,35.4134438207449,31.33621136496778]
[313,"2-Methylbenzoic acid","Benzenes","C8H8O2",1.0137,137.0603,0,6.716897587820949,10.53423051421482,15.049850814710442,27.365684959794752,18.84073338620681,28.197685603650445,57.91377402519063,55.96535260691272]
[314,"N/A","N/A","N/A",0.5317,367.0425,0.9,4.349055663684281,7.361526349225331,20.63223986698605,50.199162197678426," –",36.35679066300653,2.420636818930641,128.59421076742825]
[315,"N/A","N/A","N/A",5.1163,520.5099,0.5,2.1581626176796407,3.672769239146566,2.05740997491898,1.9217688641364998," –",68.14845780147462,111.2127801262006,1.3365405858230814]
[316,"N/A","N/A","N/A",2.6036,403.312,3,91.44779391416287,20.753144685044624,27.194571227279138,31.531325031548874,30.652062062715864,8.226080368992,0.7725598921161749,15.06989107205624]
[317,"Tetradecanoylcarnitine","Acyl-carnitine","C21H41NO4",2.5507,372.3044,7.4,17.21109116952385,0.6723787942040993,43.83202235536142,1.3437198773505212,1.985215852429282,6.922222324950851,103.88451951085578,3.3931317516110138]
[318,"N/A","N/A","N/A",2.3777,377.3256,2.7," –",162.83202436917637," –",15.246177591439569,4.319726200220825,4.5575617960311545," –",4.237455020503808]
[319,"Alpha-hydroxy-isobutyric acid","Fatty acids","C4H8O3",1.6481,105.0707,2.7,93.76756302169719,13.833061216558313,8.17431301338594,35.82168486593036,57.90879345839183,0.36512346220870595,0.5788479349616751,9.062159414176918]
[320,"N/A","N/A","N/A",2.748,702.2131,1.3,22.967555251183093,16.95957819885479,24.108456264900664,20.310884473785766,21.85971981581935,48.32268590231373,28.553447542773533,24.202715348564734]
[321,"N/A","N/A","N/A",2.089,701.5592,4.6,97.80670244217913," –",0.4744983807242497,118.14757339674397," –"," –",0.1288870896027972," –"]
[322,"4-Aminophenol","Phenols","C6H7NO",0.8276,110.0724,10,9.108264507316209,12.219174467458116,24.620464399041847,25.610932125611427,31.970442969453558,21.708642297473826,51.70050113173506,19.5181223198594]
[323,"N/A","N/A","N/A",1.8676,407.2545,7,0.17285757459140252," –"," –",0.4576673028586924," –",0.5466049463834474,152.47037641810667,2.07364820152314]
[324,"Prostanoic acid skeleton","Ecosanoids","C20H38O2",2.235,311.2959,0.9,29.655813714219676,21.491251393081097,68.30807420374808," –",18.43969155819829,45.66635870239892,11.929300920514521,3.690411517281781]
[325,"N/A","N/A","N/A",3.091,776.2307,0.2,25.99307421947522,18.866575915045278,25.168106798929124,20.881341822846597,14.263446598496643,51.27392051401251,22.958680150311285,17.47858818980668]
[326,"N/A","N/A","N/A",2.4309,429.0897,1,9.085762337842771,10.234902041762004,20.106165575313515,15.432714975543114,4.565526030290564," –",81.19962909526286,36.525205307557115]
[327,"N/A","N/A","N/A",2.0419,207.033,0.3,17.50361937267853,20.715839652869498,25.737317307031145,16.95104252057195,3.1754045032932834,8.684105067147298,50.71134991744614,38.02013265377856]
[328,"N/A","N/A","N/A",3.1141,430.3639,4.9,20.337869900446435,55.11552039359679,54.213784357334085,22.396415808850374,5.5581339565052055," –",9.454516271040694,15.627899812536613]
[329,"Anandamide (20:l, n-9)","Fatty amides","C22H43NO2",2.2885,354.3364,0.8,29.35203442632827," –",2.1596240529801323,13.856907887738181," –"," –",110.18473399138067," –"]
[330,"N/A","N/A","N/A",1.9608,435.2877,0.9," –"," –"," –"," –",0.39751360078264064," –",139.86003306554898,3.9072795430579967]
[331,"N/A","N/A","N/A",2.0553,672.4167,2.9,3.6248949369936714,33.47948994707413,58.848114391996624,23.689163261474924,50.490107678105154," –",1.094396293372864,16.9120509314587]
[332,"Lyso-PC (20:1)","GPLs","C28H56NO7P",2.5034,550.3951,8.3,1.2079573703695052,74.8498824142397,47.72459701620404,23.795446189626944," –",13.939506379707517,4.392838083503621,7.87913214997071]
[333,"Lyso-PE (20:2)","GPLs","C25H48NO7P",2.0842,523.3425,8.1,16.21485875738168,0.8242635680599792,40.11386804790757,3.455279684615626,6.857697651371531,12.032870548943121,74.91085429724707,6.348872372583481]
[334,"Cholesterol","Sterol lipids","C27H46O",4.5622,404.3893,0.6,2.1581626176796407,0.07461006435025674,0.3169574163731155,1.5562857336545586,0.7938511258233208,18.04984594687949,120.46672063058134,3.495473966022262]
[335,"2-Acetyl-4-methylpyridine","Pyridines ","C8H9NO",1.0107,136.0754,0.8,5.283918522717074,4.171946098251856,14.11304472312245,22.234822377272305,12.703970164657052,28.988426356126105,57.431782068806186,27.928459297012303]
[336,"Lyso-PC (22:6)","GPLs","C30H50NO7P",1.9175,568.34,0.2,11.293020598009912," –",0.39572789854868257,1.5562857336545586,2.381553377469962,1.4583333549756008,124.14877310751804," –"]
[337,"2-Hydroxymyristoylcarnitine","Acyl-carnitines","C17H37N7O3",2.6845,388.3071,1.4,6.133886833281899,39.417207568282066,40.80686074228547,26.050162593994767,32.00337309022845,8.568518645678862,9.616197117169644,15.999499519625072]
[338,"C18 sphinganine","Sphingolipids","C17H37NO2",2.3231,288.2896,0.7,7.028859482793598,97.91238623393512," –",50.257726260129544,1.4512774655792262,1.2671296484343553,7.294704213318078,3.3553626010544817]
[339,"N/A","N/A","N/A",2.8822,490.3561,0.2,2.324883236960106,11.063606685080927,8.957329115964493,20.98870927067364,60.673747527740915,19.391512633457044,37.326158736270436,19.147740972466313]
[340,"N/A","N/A","N/A",2.347,761.488,3,16.167808766664496,17.58665802541766,77.42388202789911,10.616363098776636,3.7799074346609673,9.825926071746713,14.433828744512068,20.146795922671355]
[341,"N/A","N/A","N/A",1.7658,487.1643,1.6,3.9951579074202264,22.156524466870884,76.46081910891927,9.675000020858755,32.319737464815816,10.810031024622841,1.4162326946295527,20.34417019332162]
[342,"N/A","N/A","N/A",1.7593,846.4452,2.3,98.64337401623692,11.643611113898993,5.87590287276314,20.681790202642805,39.379720143804555," –"," –",2.775423386057411]
[343,"1-Methyladenosine","Purine nucleosides","C11H15N5O4",0.5292,601.1961,8.1,3.5850047274725787,30.96761778061549,63.550899726645056,3.1114869476340967,37.200451793951785,19.554629919828386,0.3218364012566889,10.487640257762157]
[344,"N/A","N/A","N/A",2.2341,245.2264,0.5," –"," –"," –"," –"," –"," –",124.85193225907886," –"]
[345,"TG (14:0/18:4(6Z,9Z,12Z,15Z)/14:0)","Glycerolipids","C49H86O6",2.3676,771.6488,0.9,39.23355530282259,7.056868586461783,7.440997334084825,46.54324637318399,53.898375178306615,10.574537193967522,0.7725598921161749,11.933833216168718]
[346,"22-Tricosenoic acid","Fatty acids","C23H44O2",2.4384,353.3394,2.6,25.02548093211743,16.779270543341664,57.68343654840074,4.158048434028974,2.577958026377362,23.303086765580485,11.856849597956737,13.211892536613943]
[347,"Hydroxyprolyl-Methionine","Peptides","C10H18N2O4S",0.5351,301.0706,8.7,3.803889466896011,6.588779254169101,16.987229578695224,29.951179865043862,0.39751360078264064,33.73287087098006,0.8717038071952498,82.87038975981255]
[348,"4-alpha-Methyl-5-alpha-cholest-7-en-3-one","Prenol lipids","C28H46O",2.3798,421.3532,9.1," –",119.04657517619714," –",15.236416914364382," –"," –"," –",10.692324686584652]
[349,"Tryptophyl-glutamine","Peptides","C16H20N4O4",2.0429,371.1048,6.8,14.899504669070772,14.182129731911301,16.010100502184024,18.712302472805405,3.1754045032932834,4.517592659635528,44.72915861067489,30.968266736965436]
[350,"8S-Hydroxy-2E-Decene-4,6-diynoic acid","Fatty acids","C10H10O3",1.0103,179.0704,0.4,2.3085180227976068,6.435118050209643,9.338053113146401,21.350938842130518,10.32124071144513,23.16697565244943,39.48597079399305,30.794041300527244]
[351,"N/A","N/A","N/A",2.6872,338.3423,0,29.36021703340952,57.493272087235326,10.881579466253347,23.634937277723896,17.929274686187444," –",1.4162326946295527," –"]
[352,"N/A","N/A","N/A",2.4622,432.3347,2.2,4.702953419948336,41.18830838154887,40.00977848217557,15.426207857492988,25.190366317051417," –",5.494860831882568,8.03751891036907]
[353,"N/A","N/A","N/A",0.5076,288.9239,2.1,16.73343148115589,23.68247792584399,12.972748219247569,28.146539125809586,0.39751360078264064,0.36512346220870595,7.039980616114917,53.88683096660809]
[354,"3-Hydroxy-alpha-methylphenylalanine","Amino acids","C10H13NO3",1.009,196.0974,0,5.611222805967066,7.724806305406937,11.24448633056221,16.91199981227121,8.95581677502902,18.61049410334789,42.97431131377526,16.305307803163444]
[355,"2-Hydroxymyristic acid","Fatty acids ","C14H28O3",2.0529,267.187,2.5,8.236816853163104,14.510769301073145,33.383680541073694,15.111697151737014,48.93415947149145," –",0.3858986233077834,15.726586947861746]
[356,"N/A","N/A","N/A",2.4085,503.3591,4.7,17.850357347746492,15.35368538522069,77.92932595519234," –"," –",7.410493937135274," –",2.9825445342706507]
[357,"Lyso-PE (18:0/0:0)","GPLs","C23H48NO7P",1.9587,482.3261,1.9,7.442081140396714,0.07461006435025674,0.15847870818655774,4.026821553351481,1.7864590520379615,1.8234568171843064,81.70068718916248," –"]
[358,"N/A","N/A","N/A",1.3407,383.0952,0.7,0.4316325235359282,1.5739170717697013,1.820160784556855,3.186318805210518,0.992607926214641,35.58117336754543,54.62067075356412,8.929358207381371]
[359,"5,5',6,6'-Tetrahydroxy-3,3'-biindolyl","Indoles","C16H12N2O4",2.0897,297.0833,4.2," –"," –",8.75102547217134," –"," –"," –",68.34828976451294,23.762887498535445]
[360,"SM (d18:1/14:0)","Sphingolipids","C37H75N2O6P",2.0883,675.5445,0.9,75.83026547371243," –",0.15847870818655774,47.09526688776947," –"," –",0.1288870896027972," –"]
[361,"C21 sphinganine","Sphingolipids","C17H37NO2",2.0441,288.2903,0,0.6382433523374862,93.44732916859299," –",0.5357527194601754," –"," –",1.9798277195790626,2.878983960164031]
[362,"5,6-Epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol","Prenol lipids","C27H38O3",1.9102,411.2874,1.5," –",0.4254550098068211,0.3169574163731155,0.09109965270173026,0.19875680039132032," –",83.45782242256394,0.8223927943760986]
[363,"N,N-Dimethyl-4-[(E)-2-(2-pyridinyl)vinyl]aniline","Anilines","C15H16N2",1.7297,225.139,0.2,7.077955125281097,9.969325741277162,23.907779084120055,11.533866743844062,45.27773998973633,1.4583333549756008,1.4162326946295527,16.335766795547745]
[364,"N/A","N/A","N/A",2.1538,482.2711,0.9," –",0.3002166875046045,0.23724919036212486,0.1832838250784811,0.992607926214641,0.5466049463834474,80.48655555219412,1.9530305916813122]
[365,"N/A","N/A","N/A",0.4766,420.8856,0.1,10.585225085481802,12.281349521083332,9.568738096660562,11.002452103083968,10.816368598810488,49.96790197611214,5.173787076126487,0.10234221441124781]
[366,"Lyso-PC (18:1)","GPLs","C26H52NO7P",2.5226,522.3455,9.9,1.7439181341913685,61.95211164721496,23.23541675412146," –",3.7328644049825477,5.822530950606287," –"," –"]
[367,"N/A","N/A","N/A",1.7629,482.2063,3.6,31.93160130869228,14.232757989863261,19.698247006904328,11.829940615124684,23.62030520153418,1.2757716238712478,0.06406222205109448,3.9072795430579967]
[368,"Oleoylethanolamide","Fatty amides","C20H39NO2",2.3155,326.3044,1.5," –",7.010681403768766,3.5578001115964493," –"," –",7.077777882814914,63.142471577360894,1.619200035149385]
[369,"N/A","N/A","N/A",2.7704,422.3742,0.6,25.123672217092427,33.027388485713644,11.33732297026913,6.747881417978162,3.7716749044672437," –",9.645940291693368,7.128622577621559]
[370,"N/A","N/A","N/A",2.3009,487.33,0.4,1.7111877058663694,32.027258337399495,31.36471806340708,10.291007196270456,8.073759968558662,7.468827271334297,2.1544735392183556,4.810084077328647]
[371,"N/A","N/A","N/A",1.9252,437.3044,1.8,0.6044900981273307,0.5995451599574202," –",0.4576673028586924," –"," –",73.67384329526045,1.130637797305214]
[372,"N/A","N/A","N/A",2.3184,671.3472,1.6,6.93885080489985,4.890512075148972,81.27050724080598," –"," –"," –"," –"," –"]
[373,"N/A","N/A","N/A",2.3803,482.4057,1.8," –",66.31235933644604,2.8873132692687054,10.144597040142674,2.381553377469962," –",1.6503648633162908,7.886442308142942]
[374,"N/A","N/A","N/A",2.5522,301.2901,0.6,7.045224696956098," –",21.415255969564605," –"," –"," –",49.991412564871936," –"]
[375,"N/A","N/A","N/A",1.8671,169.0269,0.3,0.08591737435312315,0.07461006435025674,0.15847870818655774,0.09109965270173026," –",0.18256173110435298,70.35023420360965,0.7200505799648506]
[376,"Glucosylceramide (d18:1/16:0)","Sphingolipids","C40H77NO8",4.02,700.5742,2.1,1.8993876687351152,0.7496535037097224,0.07877048217556716,0.7244591429137596,1.191364726605961," –",65.42430691518084,2.3648361687170474]
[377,"Isobutyrylglycine","Amino acids","C6H11NO3",0.9019,146.0823,0.6,0.4316325235359282,0.3748267518548612," –",0.4576673028586924," –"," –",40.30123883414329,43.284664897480965]
[378,"N/A","N/A","N/A",2.5041,833.5408,1.7,3.280202613696023,3.4951262287888123,50.81164972241793,1.1897180834975962,5.359377156113886,11.30370387145532,5.340806440759698,1.8506883772700644]
[379,"4-Alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol","Sterol lipids","C29H48O2",3.4904,429.3734,0.2,1.0361226216632586,0.45654253661942806,0.7914557970973651," –",1.1349130909918586,4.010956849647707,58.85259063643939,1.2341983714118334]
[380,"N/A","N/A","N/A",4.6727,573.5339,3.6," –",0.3002166875046045,0.3169574163731155,0.6409511279371735,0.19875680039132032," –",63.509304063153486,0.20590278851786764]
[381,"N/A","N/A","N/A",2.4893,500.392,4.1,7.9105353957982665,3.1993506165431516," –",29.26576343043084," –",8.235802591358503,28.362786167621465,0.8894025776215584]
[382,"N/A","N/A","N/A",2.1736,401.2897,1.5," –",14.504551795710624,62.6872376542201," –"," –",0.6427469231188757," –"," –"]
[383,"Edetic acid (M+K)","Amino acids","C10H16N2O8K",0.4574,331.0448,0.1,2.0712224174413616,1.823505501322346," –",51.492994169978," –"," –"," –",38.899788353837145]
[384,"N/A","N/A","N/A",2.213,916.5688,2.4,0.6044900981273307,2.2409665756630686,0.23724919036212486,1.7384850390580187,0.7938511258233208,6.830401335933869,53.133512027378,1.4388828002343295]
[385,"Margaroyl-EA","Fatty amides","C19H39NO2",3.0848,314.3057,0.2,5.739076041611594,55.49034714545166,1.8098456023671976,4.22637317355527,3.1754045032932834,1.4583333549756008,2.18802994124512,1.794643831282953]
[386,"N/A","N/A","N/A",2.6101,412.2785,0.8,6.211621600553772,3.0350308319622292,13.569153298576865,1.4641015612778077," –",1.220679030461058,41.14319946681482,1.9457204335090803]
[387,"N/A","N/A","N/A",2.3809,526.4325,2.9," –",62.250551904615975,2.2599626433704385,3.255728064411836," –",2.187500032463401," –",2.1272560281195076]
[388,"N/A","N/A","N/A",3.5673,332.314,2.5,3.85298510938351,55.19901260846493,1.5107053188671271,5.088566315196648," –"," –",1.6648551278278478,4.410462097246632]
[389,"7-[2-(Heptylamino)cyclopentyl]heptanoic acid","Sterol lipids","C19H37NO2",2.2277,312.2903,0,3.6218264593382026," –",4.264858963505707," –"," –"," –",53.05419689531474,0.43129933216168714]
[390,"Cyclic phosphatidic acid (18:0/0:0)","Linolenic acid and derivatives","C21H41O6P",2.4087,421.2721,0.2," –"," –"," –"," –"," –"," –",59.21027137622468," –"]
[391,"N/A","N/A","N/A",2.612,817.55,0.7," –"," –"," –"," –"," –"," –",58.86631825545034," –"]
[392,"N/A","N/A","N/A",4.0245,682.5629,0.1,0.9491824214249795,0.22471840810255897,0.23724919036212486,0.2743834777802113,0.7938511258233208,3.0992284410555544,49.49111711647292,0.7200505799648506]
[393,"Lanosterin","Prenol lipids","C30H50O",2.9748,427.3908,2.6," –"," –",0.39572789854868257,9.127317584973355," –",2.335493861820184,1.094396293372864,67.11212545987112]
[394,"N/A","N/A","N/A",2.3821,333.2992,0.1," –",52.286555453649555," –",6.465906302472806," –"," –"," –",2.716942120679555]
[395,"Epinephrine","Phenols","C9H13NO3",1.871,184.1001,2.7,0.9491824214249795,3.335247519466834,23.794312080033816,4.215527976805065,19.614591224416802,1.2757716238712478,0.3218364012566889,15.439054059753957]
[396,"N/A","N/A","N/A",4.6487,554.5502,3.7,0.34571514918280505," –",6.306327293222489,4.907451529468207," –"," –"," –",63.69706323374341]
[397,"R-dysidazirine","Sphingolipids","C19H33NO",2.305,292.2632,0.8," –"," –"," –",0.3665676501569622," –"," –",48.32350685504166," –"]
[398,"N/A","N/A","N/A",2.3801,570.4569,1.9,1.3808149449609077,44.60971276103921,0.5542066067352402,5.412837698027805,1.3889454512553212," –",0.6436728025133778,4.215524545987112]
[399,"N/A","N/A","N/A",2.3802,465.3779,0," –",48.01157640939021," –",5.713249648008511," –"," –"," –",3.0995070650263625]
[400,"N/A","N/A","N/A",1.9885,439.3189,1.4," –"," –"," –"," –"," –",0.5466049463834474,45.16691712802404,0.4118055770357353]
[401,"N/A","N/A","N/A",3.0585,430.3896,3.9," –",9.554529312091805,24.14877924982387,12.120591888030205," –"," –",7.358766435369173,2.5707389572349153]
[402,"N/A","N/A","N/A",2.3452,537.5311,4.8,1.3808149449609077,0.6750434393594656,0.23724919036212486,1.635455669931062,1.191364726605961,3.952623515448683,37.11261799610012,0.6164900058582309]
[403,"Docosahexaenoyl ethanolamide","Fatty amides","C24H37NO2",2.2684,372.3034,5.9,3.250540663026492,3.5972709597445207,5.693980568690997,0.9153346057173848," –",1.4583333549756008,31.63682330173276,0.8223927943760986]
[404,"PC (38:9)","GPLs","C46H74NO8P",2.6124,815.5528,1,0.5175498978890514,0.44943681620511794,1.898931266732422,0.4576673028586924,0.39751360078264064," –",40.725269732481486,0.514147791446983]
[405,"N/A","N/A","N/A",3.2055,526.5209,1.7," –",0.3748267518548612," –",4.033328671401605," –",0.18256173110435298," –",64.15638483889866]
[406,"N/A","N/A","N/A",3.8635,316.3204,1.5,7.2835431281975,25.965190608941132,3.225838793856559,5.121101905447265," –"," –",3.7125582969610464,7.697596555360281]
[407,"TG (20:3(5Z,8Z,11Z)/18:3(6Z,9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Glycerolipids","C63H98O6",3.6351,968.77,0.2,13.654725566835644,22.876866873871577,1.6616820763702973,7.504876151142539,0.7938511258233208," –",0.3218364012566889,4.42142733450498]
[408,"Pentadecanoyl-EA","Fatty amides","C17H35NO2",2.656,286.2741,0.5,4.315302409474126,29.558020493426707," –",4.631983532012975," –"," –",0.8366221141672694,5.860310134739309]
[409,"N/A","N/A","N/A",1.8654,849.5278,3.1,0.08591737435312315,0.07461006435025674," –",0.09109965270173026," –"," –",32.70376435708373,0.10234221441124781]
[410,"N/A","N/A","N/A",1.1914,321.1309,0.2,15.162370921555922,6.445776630831109,5.282311024940116,0.6875854739630592,6.351985082328526," –",2.657819569619812,1.7483461628588168]
[411,"Lyso-PC (16:0)","GPLs","C24H50NO7P",2.593,496.34,3.3," –",0.22471840810255897,0.15847870818655774," –"," –"," –",27.119674001629996," –"]
[412,"N/A","N/A","N/A",2.221,531.2745,1.1,17.795124749948055,5.984793018952737,1.7113824996477387,3.5301115421920466,5.954471481545885," –",0.47741608338077546,0.514147791446983]
[413,"N/A","N/A","N/A",2.6831,471.3676,3.6," –"," –",31.741691085247286," –"," –"," –"," –"," –"]
[414,"N/A","N/A","N/A",2.8235,326.3419,1," –"," –",25.441927998872767," –"," –"," –"," –"," –"]
[415,"9-Hydroxycalabaxanthone","Benzopyrans","C24H24O6",1.6703,409.1655,0.9," –"," –"," –"," –",0.992607926214641," –",19.334588731420798," –"]
[416,"N/A","N/A","N/A",2.377,521.3696,3.5," –",12.794737821017241,5.451104915316331," –",2.7143828124447764," –"," –",3.126310978324546]
[417,"(Z)-15-Oxo-11-eicosenoic acid","Ecosanoids","C20H36O3",2.3662,325.274,0.3," –",1.0694109223536798," –",1.4402421284273543," –"," –",14.377392977467059," –"]
[418,"PC (34:2)","GPLs","C42H80NO8P",2.1094,758.5761,6.6,7.860416927425611," –",0.23724919036212486,11.358174556490725,0.19875680039132032,1.4583333549756008," –",0.8223927943760986]
[419,"Bis(1-cyclopenta-1,3-dienyl)-phenyl-phosphane","Phosphates","C16H13P",2.4793,237.0802,3.1," –"," –"," –"," –"," –"," –",15.174357525602698," –"]
[420,"N/A","N/A","N/A",2.2772,623.2941,4.6,3.1932624134577434,3.669216378939412,2.765406570663661,2.407633678545728,0.992607926214641,0.5466049463834474,1.2042172454604545,3.5990345401288817]
[421,"N/A","N/A","N/A",2.2135,448.2708,3.4,3.93174270254054,0.5249350956071633,5.680852154995068," –",0.7938511258233208," –",0.3218364012566889,0.30824500292911544]
[422,"N/A","N/A","N/A",3.5836,420.3453,0.4,2.6726440379132232,3.9969677330494675,0.7117475710863747,1.978163887237571," –",0.9117284085921532,0.1288870896027972,0.7200505799648506]
[423,"N/A","N/A","N/A",2.3144,639.3159,4.4,7.118868160687346," –"," –"," –",2.381553377469962," –"," –"," –"]
[424,"(E)-26,27-dinorergosta-4,22-dien-3-one","Prenol lipids","C26H40O",3.1243,369.3123,4.6," –"," –"," –"," –"," –"," –",6.388681358595457," –"]
[425,"N/A","N/A","N/A",3.1662,420.3464,1.5,2.329997366385887,1.3198875669581132,1.3456624038326055,0.9153346057173848,0.5950943254320005," –"," –"," –"]
[426,"N/A","N/A","N/A",2.1438,613.2675,1.4,0.776324846833577,1.98693707085148,2.136180457094547,0.2743834777802113,0.39751360078264064," –",0.3858986233077834," –"]
[427,"N/A","N/A","N/A",2.1226,597.2385,0.2,0.4684542554015524,0.15010834375230225,1.1074754696350573,0.09109965270173026," –"," –"," –"," –"]
[428,"N/A","N/A","N/A",4.2095,448.3826,2.8,0.5175498978890514,0.8997618474620245,0.07877048217556716," –"," –"," –"," –",0.20590278851786764]
[]
["Metabolites highlighted in orange were validated using either standards or MS/MS analysis."]
["The ion intensities of each compound were normalized by multiplying each ion intensity by the average of total ion intensities for the six samples shown,"]
["and then dividing by the sum of ion intensities for the corresponding sample. "]
["The compounds were ranked based on the normalized sum of ion intensity of each compound."]
["\"Non-available\" (N/A) in the compound column indicates that no match was found in the metabolite database searched."]
["GPLs, glycerophospholipids; MGs, mono-acylglycerols; PC, phosphatidylcholine; PE, phosphatidylethanolamine; RT, retention time; "]
["SM, sphingomyelins; TG, triacylglycerols."]

{"sheet":"ESI-","index":1,"n_rows":246,"n_cols":15,"rows_kept":246,"cut":false,"hidden":false,"merged":[],"flags":["formulas_cached_only"]}
["#","Compound","Chemical Class","Formula","RT","m/z","Mass Error (mDa)","HS-NPs","Saliva-NPs","Urine-NPs","FBS-NPs","HS-Granules","FBS-Granules","HS-NPs (Trypsin)","FBS-NPs (Trypsin)"]
[1,"Stearic acid","Fatty acids","C18H36O2",2.8069,283.2624,1.3,13653.39883211983,16299.882287978771,16208.10705447949,14302.123884427225,13984.19255884291,14594.102979477575,14412.437081756634,13409.120675974387]
[2,"Palmitic acid","Fatty acids","C16H32O2",2.5015,255.2313,1.1,14040.421275740802,12878.822700176046,11813.513908676285,13747.710198462097,13551.934991037862,7496.741251631953,9370.887390530874,11085.06279815885]
[3,"N/A","N/A","N/A",2.6928,564.3432,0,2564.935248023445,2185.8090524674985,2569.664360865492,2639.0380495761688,1896.9881799301236,1978.8618030409546,2424.5706718971733,2847.340758147417]
[4,"Myristic acid","Fatty acids","C14H28O2",2.2785,227.2004,0.7,2198.913077889938,1947.1990729260708,1960.9425308165144,1896.6926464821993,2063.8646432804126,2472.215244893245,825.0324977262363,2021.088342151329]
[5,"PG (22:1(11Z)/0:0)","GPLs","C10H42N22O6",2.3952,565.3579,3.7,780.9438632692934,1833.865012646425,1444.331796027546,1525.0923820719302,3135.0502390171755,1084.1130642185713,693.8440526218442,1888.5923449958918]
[6,"Margaric acid","Fatty acids","C17H34O2",2.6642,269.2473,0.8,1391.9095296125042,2143.846697872466,2099.226003533627,1236.0564886413174,1074.7731211180271,1099.3525349237752,1073.671239542441,1201.5946729980888]
[7,"Oleic acid","Fatty acids","C18H34O2",2.5202,281.2482,0.1,1224.548143653533,1056.4503887283888,973.3100581774703,985.1920485044806,1400.4637595961944,2444.1090169321305,2142.457664906865,1344.5884048679088]
[8,"N/A","N/A","N/A",2.2005,681.2953,0,1558.447375434712,1075.1797517816435,1275.695626783249,1451.0452898522647,1203.9080725504048,913.4909207122341,1212.49785534175,1515.1596783143398]
[9,"Pentadecanoic acid","Fatty acids","C15H30O2",2.393,241.2156,1.2,1179.5994204493652,847.9091947168556,983.8554873077047,849.6483914507145,882.4713851917343,1733.0079233585075,737.55593622619,1023.4313997146508]
[10,"Palmitoleic acid","Fatty acids","C16H30O2",2.3098,253.2156,1.2,735.6235723998698,670.5173720827879,598.9342575603182,641.8664312969242,753.904425356613,2211.6892416644905,628.3057562257436,766.9498630523901]
[11,"Stearic acid","Fatty acids","C18H36O2",2.4222,283.2625,1.2,822.7324339368284,676.300287552758,594.299495340543,1036.8846818297409,699.9212801775836,849.744207237833,734.6370382872468,992.1700027954416]
[12,"Lauric acid","Fatty acids","C12H24O2",2.0653,199.1688,1,889.163859465972,638.2589158903421,941.4685499720597,784.9759689513198,901.9307507099076,852.9848491222608,355.4254864929507,917.7811851153903]
[13,"Apionic acid","Fatty acids","C5H10O6",2.0465,165.0394,0.5,893.2450125105829,665.8332501340111,712.233825475807,879.0420641075322,469.4483806099279,816.901006226525,597.9016133166655,1229.6546242028974]
[14,"7-Beta,12alpha-Dihydroxy-3-oxo-5beta-cholestan-26-oic acid","Bile acids","C27H44O5",2.4238,447.3303,0.1,678.1122073461413,574.3476065628809,499.06550805749123,931.3361169835312,539.3392810854117,626.6612378632976,566.4576913134573,896.6992578571558]
[15,"Tartaric acid","Fatty acids","C4H6O6",2.0486,149.0086,0,570.842449768805,430.6170226281429,459.1696593378148,565.5756250847663,316.6905655342913,516.2154658595618,390.2258726803943,790.8961757912977]
[16,"DG (41:3)","Glycerolipids","C44H80O5",2.5433,687.576,1.2,781.1095459003583,438.90626395409197,387.39233431398327,675.5198759505934,414.8945834514537,294.68330800711027,340.8632102641456,586.5449512628609]
[17,"1-Alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin D3 / 1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrocholecalciferol","Sterol lipids","C30H48O7",2.3956,519.3518,0.2,326.07316397264736,481.85341620068385,415.63363916327,448.81868382780334,766.0809946336215,330.6675833550927,232.75123939255752,501.1170976752287]
[18,"Palmitic acid","Fatty acids","C16H32O2",2.2209,255.2316,0.8,349.10914096385545,402.64528611672233,433.86524112895273,585.2106709069992,318.35995535760844,434.33149031373654,321.2416302503053,535.1940126062804]
[19,"Linolenic acid","Fatty acids","C18H32O2",2.3352,279.2319,0.5,296.81799704330837,170.9843047950616,163.42571267914667,210.06531573625577,353.2761413912764,404.0009609084701,1317.260520577083,278.3303072775257]
[20,"N/A","N/A","N/A",2.389,761.5777,0,314.1756891566265,440.65340898382834,449.5834645774439,260.3988088338581,514.7773025295933,618.3839809689275,200.36775796694272,316.18505345277225]
[21,"(25R)-3-alpha,7-alpha-dihydroxy-5-beta-cholestan-27-oyl taurine","Sterol lipids","C29H51NO6S",2.0823,540.3299,0,541.3545962031911," –",0.5449496540332653,173.4093037963187,93.28364105943312,14.507743160865285,1789.190480629957,313.75922217955133]
[22,"DG (41:4)","Glycerolipids","C40H78O8",2.5196,685.5601,0.5,507.35432745034194,284.90813537246646,217.48256623085265,479.5998121336886,288.2151647791109,166.0504901580734,159.80921474789287,396.70861798906833]
[23,"1,1'-(6-Oxo-1,11-undecanediyl)bis(3-phenylurea)","Aromatic homomonocyclic compounds","C25H34N4O3",2.0656,437.2558,0.5,64.00222577662,485.37541358958157,223.10500165998286,270.475701005086,765.4464934816516,325.9766368128226,14.651758078558055,193.73320066001003]
[24,"N/A","N/A","N/A",2.4979,587.5061,0.2,396.9280721002931,219.60116827997336,213.2544025540727,334.9544460220393,393.31888390228636,220.71777045714745,251.6184874129799,331.4630290283832]
[25,"N/A","N/A","N/A",2.568,613.5361,0.1,363.77570857701073,270.9570991880332,256.80963816070613,323.6271448413659,252.4955433245,221.45701253339226,233.90197598038122,307.8349813428837]
[26,"PA (20:0/0:0)","GPLs","C27H46O6",2.1092,465.3033,0.2,193.79263863236733,138.7044743770595,142.8413732085333,114.86660372366191,146.62297374883264,466.9905852933497,639.0006269082235,166.804719310428]
[27,"9Z-tetradecenyl 9Z-tetradecenoate","Fatty esters","C28H52O2",2.2175,419.2999,1.5,221.68945163790298,260.5470597041033,303.0150661610019,375.8147317328651,174.72459080652123,217.07040453331192,170.58640873214554,353.319317715776]
[28,"SM (d18:0/16:0)","Sphingolipids","C39H81N2O6P",2.4921,703.5716,0.8,270.6839985021166,255.69352722684283,217.444903983959,380.78918496609344,161.27103807900716,245.88018054411793,207.33034069622454,307.1846681038333]
[29,"Arachidic acid","Fatty acids","C20H40O2",3.3159,311.2951,0.1,145.23788169325954,222.49618838588452,179.88027148527382,145.80969624000969,114.57600990551951,608.3699278878021,336.7210954390788,132.52982848001216]
[30,"7b-Hydroxy-3-oxo-5b-cholan-24-oate","Bile acids","C25H40O4",2.6419,403.3045,0.1,302.2282659003582,187.16538517920822,189.2228145667609,275.91112929886174,335.06582531062895,206.95960185389762,153.13476357481576,308.26727049022935]
[31,"1-Hydroxy-9,10-anthraquinone","Aromatic homomonocyclic compounds","C14H8O3",2.1722,223.0279,0,233.3128191598828,138.7812632614657,196.79984374794554,213.89582594453861,139.42663992879594,330.89959452768795,275.096735151175,350.6416310262754]
[32,"N/A","N/A","N/A",2.6733,580.338,0.2,206.46248689026376,227.4668832847131,364.11014817812764,217.76031465851298,134.68450867769968,168.63173186775663,212.8979013878569,251.28153677389972]
[33,"N-Acylsphingomyelin","Sphingolipids","C24H49N2O6P",2.182,491.3214,0.1,100.09911076522305,282.10652854861644,276.34635227384786,225.79736387139744,405.75218006049033,212.59174351738403,84.13530923026882,238.97319968875038]
[34,"4-(2,4,4-Trimethyl-2-pentanyl)phenol","Aromatic homomonocyclic compounds","C14H22",2.063,205.159,0.2,214.29220946271573,161.00649965016024,331.67296157796994,185.00616778881087,260.0097928160688,263.9751733735714,120.13564702290027,257.2822113438661]
[35,"2-Methylbacteriohopane-32,33,34,35-tetrol","Prenol lipids","C36H64O4",2.3224,559.4733,0.7,298.0070135721263,191.3246511448788,198.5999454260075,254.55337323807217,302.28060540999235,230.0085498423283,104.04144152632368,264.6611991372535]
[36,"Nonadecylic acid","Fatty acids","C19H38O2",2.4059,297.2785,0.9,30.58550099641811,176.46956438320993,168.58236603444874,90.0487031666263,116.64179667493116,695.1129876272922,293.5094153748521,79.6840464820306]
[37,"N/A","N/A","N/A",2.8154,589.5161,0.1,272.4358486746988,154.86497217363336,143.15420044293603,248.22431024461127,285.6412450116856,217.78710301383896,185.85111748151172,247.54881396247143]
[38,"Arachidonic acid","Fatty acids","C20H32O2",2.2723,303.2306,1.8,51.88911988928688,5.015026625908455,5.002929898593123,22.02146953862921,75.5309107152169,50.727786947395906,1258.599799152999,27.553734348206632]
[39,"N/A","N/A","N/A",3.5873,725.4616,0,386.31707418430483,250.15601953177898,217.07904215699165,225.49835302131268,277.012295383113,34.296323618615304,51.569284831157894,174.71373118882184]
[40,"1-O-alpha-D-glucopyranosyl-(2-hexadecanoyloxy)-eicosan-1-ol","Fatty acyl glycosides","C42H82O8",2.5436,713.5928,0.3,190.1622398046239,169.34640580705772,171.67220751429886,154.50253061273918,101.51087297753422,274.6364155150943,230.09899736587826,205.34361004929983]
[41,"Heneicosanoic acid","Fatty acids","C21H42O2",2.9077,325.3112,0.5,111.77729974601107,151.8052913671399,152.52057066021302,144.74956686243644,117.2430430495442,212.89044616064433,250.0346586723516,212.0058749665083]
[42,"9-Heptadecenoic acid ","Fatty acids","C17H32O2",2.4003,267.2322,0.2,148.48209380006512,120.98128320092087,112.45485752087303,108.07090258537177,158.17169282934253,306.2547478257377,163.26768824084675,180.46004431846598]
[43,"N/A","N/A","N/A",2.4937,775.5917,0.5,38.67227529794855,242.12168563653904,225.03730551081452,184.52254039113586,140.38836808995796,160.9255793982365,62.365270003858704,184.62881531330382]
[44,"(2R,3R,4S,5R)-6,6-bis(dodecyloxy)-1,2,3,4,5-hexanepentol ","Sterol lipids","C30H62O7",2.5001,533.4551,0.1,223.74708372517097,115.32819636025593,104.55577769788312,176.05962724025187,206.44565783173653,155.0435795488782,145.81246380952686,181.0113696078344]
[45,"N/A","N/A","N/A",2.6616,627.5556,0,175.11801325301207,222.22069836760255,226.73056938646374,151.90204231048682,123.52420539671854,45.87246001968385,104.94610302732663,151.31749072726137]
[46,"Lyso-PE (22:6)","GPLs","C27H44NO7P",2.3448,524.2771,0.6,109.60880648648647,116.50457040383921,390.98177702813757,66.59447330467425,58.51244585504141,80.27022981902907,135.86566139098213,118.43219022845814]
[47,"DG (43:3)","Glycerolipids","C46H84O5",2.6414,715.6082,0.6,134.8778442331488,101.64552545225251,94.77512276477549,119.30419656696536,141.0880486055475,165.60525414264768,172.34562189828975,140.73705721947343]
[48,"TG (52:7)","Glycerolipids","C55H92O6",2.8883,847.6664,0.1,286.06568158905895,143.9498676561865,207.27456008809418,103.09984720271254,109.73810489563533,40.36900471508626,27.211430509890715,135.75132238675337]
[49,"Lyso-PC (18:2)","GPLs","C27H48N7O4P",2.1775,564.3426,0.1,134.0920699902312,81.63450050359995,153.91714826441392,131.75845151973843,68.17362377277274,94.4614233233575,194.2427253513491,146.94071973688912]
[50,"9-Hydroxy-12Z-octadecenoic acid","Fatty acids","C18H34O3",2.1286,297.2418,1.2,137.01466287202865,134.88086291642216,129.6803394623956,128.29377655606686,146.47000177299083,76.6294391106112,130.1361385512968,128.46756350698416]
[51,"DG (43:5)","Glycerolipids","C46H80O5",2.5209,711.5756,0.8,149.0083798046239,96.96773660734436,77.91012232923542,123.36915846451927,82.62881039427714,169.51938594914336,120.44078013055805,172.31045413198416]
[52,"N/A","N/A","N/A",2.2752,667.3177,0,116.25316729404102,103.62778696310883,95.50069748044179,127.20193390651491,80.71466540961303,81.00195736336795,112.43036494066848,130.2480935892398]
[53,"21-Hydroxyallopregnanolone","Sterol lipids","C21H34O3",2.3219,333.2279,2.7,76.54050253337675,76.03366176985058,265.2413697611926,36.77720194356987,39.95228951659928,75.87047138811337,93.13449885992914,109.05464826111033]
[54,"N/A","N/A","N/A",2.6958,596.3322,0.3,125.03921975903616,59.10210857728073,344.89394747222406,8.029120894889806,6.46605890927881,103.94851985458051,57.87149150926248,27.463517482673623]
[55,"3-Alpha-Hydroxy-5beta-cholan-24-oic acid","Bile acids","C24H40O3",2.396,375.2728,0.6,158.1672181895148,81.91315707381618,81.72400129018473,136.39425231290872,116.99163693272591,53.72702449434592,105.5187868657459,132.63508148980065]
[56,"N/A","N/A","N/A",2.3223,773.5788,0," –",147.48057306290343,124.35997062569851,39.41393398522645,102.25977056361198,251.48602134593366,17.510703178166764,91.57638357611104]
[57,"N/A","N/A","N/A",2.2998,585.4898,0.1,113.65463014653209,77.292366163725,74.21537904723554,101.18232686485833,122.79526067705493,153.02404909916243,81.58149723831788,112.96655179158333]
[58,"N/A","N/A","N/A",2.3372,799.5919,0.3,9.557207652230543,93.35549248831987,85.68699200414174,47.73300479534996,168.61236272832,166.77188522104163,155.103364269382,68.65378165859889]
[59,"N/A","N/A","N/A",2.5073,599.5225,0.1,108.58669084337347,83.61834529042342,93.30475790135428,90.759986552434,101.3579010016924,114.59942951473276,118.21268207170807,97.8477087426765]
[60,"(3-Beta,12-beta, 20R)-Dammarane-3,12,20,25-tetrol","Prenol lipids","C30H54O4",2.2731,477.3909,3.5,130.23751230869422,83.77033978326862,82.50414783298271,113.00118376120126,138.87195024248257,132.9339480486874,24.418701979099232,125.68211778365249]
[61,"2-Methyl-2-propanyl 2-hydroxy-3-[(5E)-1-hydroxy-5-(2-hydroxy-1-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-piperidinylidene)pentyl]-1-piperidinecarboxylate","Amino acids and derivatives","C25H44N2O7",2.4281,483.3072,0.2,99.77261852165418,71.30758300794474,69.19553956840444,117.25416005691451,73.29219910354931,117.99599793620825,112.46257840657957,124.20105757448557]
[62,"PE-Cer (d16:1/20:0)","Sphingolipids","C38H77N2O6P",2.4061,687.5433,0.8," –",49.610369154290616,109.11290957202026,2.1791548316783724,4.579847937594517,416.69300529756765,91.30817430647018," –"]
[63,"(3R,5R)-3,5-Dihydroxy-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-{[(2S)-2-methylbutanoyl]oxy}-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]heptanoic acid","Sterol lipids","C23H36O7",1.9533,423.2489,0.1,0.7406988212308694," –",0.23365965419762014,1.2356849903124243,0.27002879213816056,3.614489846747143,661.346929247043,8.375132350314377]
[64,"N/A","N/A","N/A",2.1476,747.5616,0,38.5236482318463,121.32089589587189,17.40456976858852,74.380081575442,77.60334844009994," –",204.6521489331169,153.46264730771293]
[65,"N/A","N/A","N/A",2.3888,555.3295,0,46.05855318137415,86.49594936069606,85.03059284399448,61.280235014531364,131.28986100510568,124.2593602797919,55.08502670795371,81.71893800460848]
[66,"N/A","N/A","N/A",2.5717,639.555,0,49.47575744708565,84.96650477644111,94.49995777726645,72.31305581254541,46.530084477797324,82.11974398437341,124.05763649757475,64.33214319716348]
[67,"N-(2-{4-[4-(2-methyl-1H-imidazol-1-yl)butyl]phenyl}pentanoyl)-O-(2-methyl-2-propanyl)seryl-N-(2-cyclohexylethyl)-N~6~-{[(2-methyl-2-propanyl)oxy]carbonyl}lysinamide","Amino acids","C45H74N6O6",2.532,793.559,0.2,43.01048007163791,95.26175675275356,113.25959981674445,49.65052513320418,305.1099218675187,1.1854174081587563,0.41966987534162264,48.53792666878038]
[68,"Myrsinone","Benzoquinones","C17H26O4",1.874,293.1789,3.6,75.74863701725822,94.48990971877397,51.22757333097758,78.104125799225,101.101174120497,84.59014634844439,53.91281447618926,78.90968505287226]
[69,"N/A","N/A","N/A",2.4969,715.5728,0.1,12.940300788016932,79.19308896227373,67.04648564361318,117.2609557580528," –",182.2461850483058,55.51901367925581,60.741010744141185]
[70,"5-Methyl-2E-tridecenoic acid","Fatty acids","C14H26O2",2.1238,225.1848,0.7,86.31090474763921,59.9657856173543,62.99971564574979,82.0694174134173,72.72553769738745,129.3842710396288,41.214445177739435,79.18033564947129]
[71,"Margaric acid","Fatty acids","C17H34O2",2.2128,269.2485,0.4," –",74.44563597481154,64.89820033610546,38.13181170380238,26.665010675869787,195.8578202793902,109.08642821539846,26.05763799478423]
[72,"2,5-Dimethyl-2E-tridecenoic acid","Fatty acids","C15H28O2",2.2137,239.2004,0.7,63.038586356235754,56.53640987253419,47.73420777726645,42.38252276580287,63.64432309676073,118.41211514049853,72.46240192998849,78.21802241711919]
[73,"N/A","N/A","N/A",2.8014,567.5359,0.7,43.70975823510257,75.92362409013451,77.25526040365524,57.31154554976992,47.631482703858396,61.41626926707775,61.98139286841828,41.79797500625179]
[74,"N/A","N/A","N/A",2.4229,689.555,0.1,86.80673438619341,59.32297557469642,66.65525944628888,84.26103103051587,41.662915263839054,28.99200340952457,38.448561201873865,85.95035960051086]
[75,"N-Acylsphingomyelin","Sphingolipids","C24H49N2O6P",3.7771,491.3405,0,71.12414240312602,33.11738340461789,96.53448772680954,29.05048974933398,26.940360232385054,79.36566804085403,97.89314362979428,16.086168329344098]
[76,"DG (39:4)","Glycerolipids","C42H74O5",2.3118,657.5293,0,64.84038496906545,56.518993836895675,58.184328364341596,52.71312111286025,35.65577228208568,87.50108814549982,44.28188298727267,55.8667939813161]
[77,"DL-2-hydroxy stearic acid","Fatty acids","C18H36O3",2.0577,299.2592,0.6,36.708448817974606,69.66255927808874,59.1658526354283,63.68138275006056,79.76623915939378,43.934650104444934,36.649081203340806,66.4835648377215]
[78,"2-Decaprenyl-5-hydroxy-6-methoxy-3-methyl-1,4-benzoquinone","Prenol lipids","C58H88O4",2.8849,847.6497,0,122.71357165092805,49.5090394923938,105.96157870948657,43.259168212642294,19.130808317886824,25.488352908389743,15.397141887000641,66.41966122463562]
[79,"N/A","N/A","N/A",2.2261,713.3226,0,65.47996865516119,48.84723013813027,45.77115923509302,62.73224982441269,48.78076780931342,42.02032310141202,68.1296907649477,65.03508294110817]
[80,"PE (P-16:0/18:4)","GPLs","C39H70NO7P",2.067,694.5011,0,137.5835877889938,0.3206133833453708,0.4673193083952403,40.357403826592396,21.944162482281943,11.452146624620886,162.29859980802163,75.56915500410832]
[81,"[1-Amino-2-(1H-indol-3-yl)ethyl]phosphonic acid","Phosphonic acids","C10H13N2O3P",2.1734,239.0585,0.1,46.7176289417128,31.182620172775692,44.941821186148175,48.839571464034876,29.115222671527384,76.16353813244422,62.52275805942401,82.13493799567735]
[82,"Neolinderachalcone","Polyketides","C35H44O4",2.1799,527.2982,0,0,68.61205567389293,59.544780956215895,40.843296457980145,84.37136072777955,82.63073215397593,11.367774192622546,53.40963740756288]
[83,"DHA","Fatty acids","C22H32O2",2.2125,327.2319,0.5,7.566579570172582,0.96342342600325,0.6225799996712905,3.2675996306611768,14.230384326571636,5.092034682748509,323.31850398307273,3.906891482387825]
[84,"N/A","N/A","N/A",2.3883,571.4936,0.2,60.599640566590686,36.071776359296706,45.7534810375715,43.47096756478566,27.45780456805867,78.51182935304396,45.7896521556109,51.06901095178981]
[85,"Lyso-PC (22:5)","GPLs","C30H52NO7P",1.9955,568.3596,0,0.4933931292738522,0.2406579470049203,0.15602930855959504,76.40406789779608,0.27002879213816056,1.7781261122381347,0.18164815499861278,392.10505182284226]
[86,"N/A","N/A","N/A",2.9059,659.5373,0.1,13.107201673721915,72.58686998939194,68.66519364275852,39.33465080527973,86.01946749358832,32.427083807017894,16.695523526916837,46.33011948726423]
[87,"N/A","N/A","N/A",2.0596,946.6151,0,0.4933931292738522,0.2406579470049203,0.07763034563802512,0.2299212218454832,0.27002879213816056," –",339.7616886936861,0.12655421415047158]
[88,"Oxybis (2,1-ethanediyloxy-2,1-ethanediyl) bis(2-ethylhexanoate)","Aromatic homomonocyclic compounds","C24H46O7",2.4047,445.3171,0.6," –",40.01888334537083,14.88888539954638,2.048903893194478,2.4249383648663385,225.86898207865508,55.785669591519785,2.0298794744927124]
[89,"Digitoxic acid","Fatty acids","C6H12O5",2.2189,163.06,0.6,42.58409094757408,46.173077029634804,50.57962896094931,68.09292540566723,30.1793755469487,38.28184347821721,32.41837934701844,69.02342020487997]
[90,"N/A","N/A","N/A",1.864,297.0468,1,61.577899042657116,47.02092131003701,43.26239242160278,64.03475920925165,22.607927838325992,22.79533253660594,46.527877416073245,64.14168536992713]
[91,"N/A","N/A","N/A",2.2007,671.2662,0,51.20567903614457,33.336667126066445,30.421872082703306,43.13231512472754,40.385931813333464,49.60154647799626,57.22185328005561,58.22370959336597]
[92,"11,14-Eicosadienoic acid","Fatty acids","C20H36O2",2.5624,307.2636,0.1,8.75194133507001,25.27700081535232,23.49278727154691,0.9174196536691693,5.424519282460191,170.19287587121136,79.19680594240012,5.8290119230494435]
[93,"2-Propyl-9Z-octadecenoic acid","Fatty acids","C21H40O2",2.9005,323.2942,0.8,9.420763132530121,33.09442590309439,28.68325978732496,30.299766141922984,25.00227180802397,60.78316995400405,100.48453799864149,39.467372646649046]
[94,"N/A","N/A","N/A",2.1808,983.6506,0,4.89738365353305,56.02976156305015,57.41263661166261,48.528101828529906,87.70481961003684,37.19223635185892,5.436917190992962,45.37281830299729]
[95,"Ditridecyl phthalate","Phthalic acid and derivatives","C34H58O4",2.307,529.4255,0.2,37.577064376424616,28.043775567925334,26.77862615870094,29.207923492371037,31.848765370265905,108.88087073432824,32.92126734263036,41.98592680944556]
[96,"N/A","N/A","N/A",2.0449,699.3788,0,9.242897955063498,59.79637508887057,64.12650858342646,36.68999044562848,117.28693935565532,11.415513281579528,2.320264364095581,39.12905940090027]
[97,"18-Acetoxy-1alpha-hydroxyvitamin D3 / 18-acetoxy-1alpha-hydroxycholecalciferol","Sterol lipids","C29H46O4",2.5044,457.317,0.2,13.77967823510257,65.63787176962488,61.01822028877129,42.85708922862678,47.01161365392547,23.26593009721413,20.24168923262867,40.60009551389683]
[98,"N/A","N/A","N/A",2.426,967.692,0,36.06033734939759,52.72625625761748,45.63818844503977,52.732375599418745,52.571812428001884,9.589482028441159,20.140574742407765,52.55758923308445]
[99,"TG (56:11)","Glycerolipids","C59H92O6",2.428,895.6741,0,39.634696463692606,32.99547115514828,25.89164181349024,74.71986663235651,16.514322435444647,45.57281805993532,26.826658555952765,64.33089018514218]
[100,"Lesquerolic acid","Fatty acids","C20H38O3",2.4055,325.2742,0.1," –",22.208611991039586,18.578248360561435,2.293549134172923,18.11720270404801,176.38485016168877,51.311577103869226,0.6127228784116892]
[101,"CE (20:5(5Z,8Z,11Z,14Z,17Z)","Sterol lipids","C45H82OS",2.9683,669.6009,0.4,1.1098299772061218,23.25990723321898,35.77682869715995,6.881780019375151,13.73954381278355,114.26221489545465,78.74850187513752,7.232385386896257]
[102,"(3R,5R,8R,9S,10S,12R,13S,14S,17S)-17-{(2R)-2-[(1R)-1-Hydroxyundecyl]-2-oxiranyl}-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,12-diol","Aromatic homomonocyclic compounds","C32H56O4",2.29,503.407,3,42.54267028980788,31.19211982857852,26.85702512162251,40.40837158512957,53.655918169837356,52.978389253218715,23.018311030464606,48.79228810910261]
[103,"N/A","N/A","N/A",2.326,611.5047,0,43.46001603386519,13.400847785852932,12.354754215699167,23.167677797287478,39.065052056716745,28.449078479321912,115.38416080101538,29.15884274748143]
[104,"(1R,3R,7E,17beta)-17-[(2R)-6-Hydroxy-6-methyl-2-heptanyl]-2-(3-hydroxypropoxy)-9,10-secoestra-5,7-diene-1,3-diol","Sterol lipids","C29H50O5",2.5452,477.3411,1.6,53.48868823184631,30.159032260021213,28.131392577739796,47.69562843908936,33.15900359812841,33.438727664852266,26.172546234258252,53.17407114756002]
[105,"Lignoceric acid","Fatty acids","C24H48O2",3.509,367.3575,0.1,30.942449605991538,53.83296615864668,33.36951936509763,61.589439416323565,20.305367054133107,13.459465959989556,31.405444807814348,44.61725205415833]
[106,"Cholic acid","Bile acids","C24H40O5",2.9956,407.2965,0.3,27.89437649625529,35.38384295157541,18.10401149661429,67.80637334100265,35.27001686474545,17.219549862413885,41.3379301303986,50.041541094330526]
[107,"N/A","N/A","N/A",2.4174,713.5569,0.1,1.790834321068056,19.828948212431722,17.717397002991255,3.9550980624848635,4.579847937594517,163.03528423082332,34.1793821501577,12.948626228029438]
[108,"N/A","N/A","N/A",2.4418,787.5925,0," –",38.267780125716605,32.19276630399053,14.908635680552193,60.753817848897576,100.61770358728181,10.381684208344362,13.301975618033724]
[109,"1,1'-(4-Methyl-1,3-phenylene)bis(3-hexadecylurea)","Aromatic homomonocyclic compounds","C41H76N4O2",2.7973,655.589,0,18.0642798046239,16.937886296438407,15.675180880612714,17.102514531363525,24.153609889875465,76.06866716713199,75.30255584114906,28.47219215981352]
[110,"18-Methyl-8Z,11Z,14Z-nonadecatrienoic acid","Fatty acids","C20H34O2",2.3721,305.2476,0.5,3.195481921198307," –"," –",2.5234703560184064," –"," –",242.88326924009095," –"]
[111,"5,14-Dihydroxy-13-methyl-3-(4-methylspiro[4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-d]pyran-2,1'-cyclododecane]-6-yl)oxy-17-(5-oxo-2H-furan-3-yl)-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde","Sterol lipids","C41H62O9",3.1109,697.4313,0.3,104.98796663627483,45.447936636685775,28.035315417296694,41.46510311213369,48.244700798319926,3.0443247383855225,2.6280819272459395,19.53195138789654]
[112,"N/A","N/A","N/A",2.6924,818.4901,0.1,41.14655047215891,28.231393770031143,22.68497050654132,38.57579751150399,38.74181562080752,33.61531916464137,37.53495151589562,41.374456943055165]
[113,"(-)-Salvisyriacolide","Polyketides","C25H40O6",2.0213,435.2845,0.4,0.6164368479322696,0.2406579470049203,0.15602930855959504,0.2299212218454832,0.5387273931820444,4.755759379958623,235.5242819164033,1.9033252603422408]
[114,"N/A","N/A","N/A",2.3994,965.6793,0,0.9867862585477044,33.480745239075965,31.06904783544803,2.4090760535238553,12.662089026419462,119.61819751139856,42.1137377677572,2.1576867006644758]
[115,"SM (d18:1/16:0)","Sphingolipids","C39H79N2O6P",2.4991,701.5731,0,20.578757381960273,37.84346216652372,18.106317348464923,75.41755861588763,10.191924164347714,63.125825275674366,34.16059096170956," –"]
[116,"19-(3-Methyl-butanoyloxy)-villanovane-13alpha,17-diol","Prenol lipids","C25H42O5",2.0614,421.2881,0.3,32.64922435688701,24.79568492134248,29.82926815709026,27.27681175224025,23.065513574757162,70.64881102998774,29.699920751521955,21.75730073771078]
[117,"5,8,11,14,17,20-Hexamethyl-4,7,10,13,16,19,22-heptaoxapentacos-24-en-2-yl acetate","Organochlorides","C26H50O9",2.5845,505.3376,0.1,1.9735725170954088,18.07230352689252,17.053311670008547,10.515214894647615,18.693175447869805,158.70973180247856,14.524693851908781,10.531566038957559]
[118,"N/A","N/A","N/A",2.2258,659.5115,0,4.58063744708564,39.08475052475963,43.98028096443363,10.633007047711311,2.4249383648663385,81.07146678349771,37.22981840823785,15.240385214972136]
[119,"N/A","N/A","N/A",2.3707,573.4908,0.5,60.3157872354282,32.95034779008486,9.643072439353098,34.88120132598692,14.679988916437141,61.83896168678571,10.616126654697252,41.88568584774221]
[120,"2-Methyl-1-(4-methyl-5-tridecyl-2-thienyl)-1-hexadecanone","Ketones","C35H64OS",2.0645,531.4423,0.2,44.832989013350705,25.72981774195369,30.596348206067976,43.24784204407847,35.55866833220349,32.40454021130014,12.801273425665785,40.47855334783153]
[121,"1-Nitro-2-(octyloxy)benzene","Aromatic homomonocyclic compounds","C14H21O3",2.0541,250.1446,0.3,34.61914211006187,22.103324139224934,30.298124700052593,31.43464823201744,44.55874127607932,33.79003203145399,26.13406903886446,38.30958953897542]
[122,"Nonadecylic acid","Fatty acids","C19H38O2",3.0509,297.279,0.4,27.464332608270922,43.11893768902632,36.46550978321609,14.353653420925163,6.326388844379762,54.439026392431764,26.744335254179994,23.48896335113604]
[123,"N/A","N/A","N/A",2.2765,733.5464,0.2,1.8505287984369911,40.70602511510856,41.210952891821705,26.095492371034148,51.88277344116658,35.62827439893948,9.676567232290633,30.70881861781938]
[124,"PGF2-alpha-11-acetate methyl ester","Ecosanoids ","C23H38O6",2.009,409.268,0.1," –",4.336592873989979," –"," –"," –"," –",211.37492030506064," –"]
[125,"SM (d18:1/14:0)","Sphingolipids","C37H75N2O6P",2.2748,673.5479,0,29.17598037772713,30.56830909752629,31.628601217868646,41.41073750302736,42.50758660870472,36.19280360837166,2.940373582883949,32.01195111996285]
[126,"1-(10-Methyl-hexadecanoyl-2-(8-[3]-ladderane-octanyl)-sn-glycerol","Fatty acyl glycosides","C40H72O4",2.8176,615.5386,3.4,42.65596797134484,26.125636733738094,26.449657961343764,42.693992401307824,32.21988868556909,13.459465959989556,18.797452177615067,49.5578784541119]
[127,"1-(O-α-D-mannopyranosyl)-(1,3R,29S,31R)-dotriacontanetetrol","Fatty acyl glycosides","C38H76O9",2.4281,675.5385,0.1,56.13717381960274,20.360928937389968,21.5712440626849,50.02655392952288,23.489844533831416,8.560930473818468,19.54283598605765,42.677589445198635]
[128,"DG (39:5)","Glycerolipids","C42H72O5",2.2998,655.5117,0,38.17644565939433,30.371191239617662,30.634010452961675,32.732627149430854,26.101009651896483,22.583986326751962,12.59278071574127,36.82852932980852]
[129,"Ambrettolic acid","Fatty acids","C16H30O3",2.1096,269.2107,1,35.79719434711821,30.195447607265383,32.35263869896785,46.17565661782514,44.41375044680317,6.674782965432743,3.9891008619892405,34.64327636467562]
[130,"N/A","N/A","N/A",2.1801,983.6714,0,3.5780138782155646,55.53736273727034,32.70235956298074,4.489693218697021,50.4395161038764,31.09982960913492,3.8960397382461087,32.80761375348314]
[131,"N/A","N/A","N/A",2.536,819.574,0.3,10.372220006512537,43.07539759993003,53.261334663237136,4.561048080649067,87.50529094589535,4.946440627071324,0.6344263147488496,12.917300927497141]
[132,"SM (d18:1/18:0)","Sphingolipids","C41H83N2O6P",2.5251,729.5898,0.4,23.436782767828067,13.769751086195999," –",32.053057035601846," –",49.53203705786651,44.488586060202124,63.78958899194413]
[133,"3-Beta-(3-methyl-butanoyloxy)-villanovane-13alpha,17-diol","Polyketides","C25H42O6",2.0987,437.3018,0.1," –"," –",0.23365965419762014,0.34431552434003393,0.808756185320205,5.978749447646977,184.5643684820634,2.1576867006644758]
[134,"N/A","N/A","N/A",2.1777,705.5147,0,17.148152315206776,31.73518348530673,32.94447400729735,24.52795064180189,43.43472980141555,35.51273847088598,5.074515699493267,24.8547464543441]
[135,"N/A","N/A","N/A",2.4263,893.6589,0,1.357135669163139,22.620263742495375,17.137859571198476,8.806096058367643,6.7347575103226935,94.31582926768033,35.03661827079154,5.595951687089169]
[136,"N/A","N/A","N/A",2.2084,671.2494,0,29.308770133507,21.922830678971245,22.577364086845044,31.52865543109712,36.00694273097472,11.054815750095406,31.06362414175785,27.554987360227923]
[137,"N/A","N/A","N/A",2.568,657.5661,0,56.768229723217196,26.41616787370785,21.9040553464598,27.501069889803823,6.19603011714065,23.056462520336634,13.767677402998306,30.775228254947844]
[138,"PC (O-16:0/21:0)","GPLs","C45H92NO7P",2.86,788.6383,0.1,5.416360130250733,27.346342504401207,33.83299558707514,11.582139973359169,50.290534701317426,39.786628492377524,13.214679571524698,12.434891299299801]
[139,"Cholic acid glucuronide","Sterol lipids","C30H48O11",2.5413,583.3229,0,9.622993402800391,29.329395653241093,28.272818157912035,11.808663344635505,119.25030141080768,2.6498118133247637," –",16.741493616479712]
[140,"4-Alpha-carboxy-zymosterol","Sterol lipids","C28H44O3",2.4979,427.3047,1.2,7.966167092152393,37.53076516301404,25.47428262852541,20.60230061758295,61.352403841322065,10.949612303412538," –",42.898119560945986]
[141,"N/A","N/A","N/A",2.3733,604.3687,0,26.498256678606317,27.009896361384463,32.935250599894815,11.67161670501332,65.47466604248541,11.109296106413321,9.155782866728106,20.62583088248428]
[142,"N/A","N/A","N/A",2.4084,891.6407,0,0.4933931292738522,0.881884713695662,1.1675296537045559,0.6886310486800679,0.5387273931820444,155.6146839737281,15.352400962124136," –"]
[143,"4,7,10,13,16-Docosapentaenoic acid","Fatty acids","C22H34O2",2.2913,329.2481,0,1.3729729794855097," –",0.3889203454736704,7.880748086703802,4.2632624571566735,3.2340666690099824,147.64684172946357,4.08481918941126]
[144,"N/A","N/A","N/A",2.5217,801.6135,0.2,9.618120384239662,24.282703507989886,28.35198573811715,6.904432356502785,27.02682265351304,50.86492715467893,11.876925917717179,11.318457588328808]
[145,"(2R)-6-Amino-2-({[1-(dodecanoylamino)-2-methylpropyl](hydroxy)phosphoryl}oxy)hexanoic acid","Fatty esters","C22H45N2O6P",2.1851,463.294,0.3,0.4933931292738522,6.827877608281045,9.440157476497273,2.439656708646161,3.771091752274311,76.54208267720489,60.79128426670323,0.7618313089454131]
[146,"N/A","N/A","N/A",2.2153,747.5353,0,2.466965646369261,2.831689067225658,0.7786093082308855,3.3264957071930246,1.8862109716842939,7.800084118344146,136.21732506051146,5.709975781026723]
[147,"DG (42:4)","Glycerolipids","C48H80O5",2.6025,699.5797,0.9,23.97037830022794,28.415845420202682,14.82278431316153,16.403689930976025,10.507179453691283,43.130595190511585,13.207521023544457,21.742264593455275]
[148,"3,6,9,12,15,18-Hexaoxaoctacosan-1-ol","Aromatic homomonocyclic compounds","C22H46O7",2.0633,421.3263,0.1,33.57387962878541,17.80314661247912,22.74722850650845,25.83385787720998,30.663565105265405,21.630580091188463," –",30.114890919727063]
[149,"N/A","N/A","N/A",2.1722,789.5709,0,11.966915330511235,30.320526408669256,29.905361268161197,20.852608942843307,40.42982811944459,16.57799670094603,4.727326122451583,13.449831036546158]
[150,"N/A","N/A","N/A",2.3438,742.4421,0,14.46190083360469,15.394983866462782,60.07358964729472,8.641866614192299,7.347975604784231,11.102720890995641,17.39616641048291,16.202698447324234]
[151,"17-Methyl-6Z-octadecenoic acid","Fatty acids","C19H36O2",2.6692,295.2651,1.4,4.564800136763269,13.488719602029072,7.33722058871869,4.580302567207556,4.311149336550632,82.63542873641714,25.079972848773984,14.455999689643471]
[152,"9,12-Hexadecadienoic acid","Fatty acids","C16H28O2",2.1612,251.2013,0.2,21.83599617062846,16.251536164684243,13.073411375813556,13.877954341244854,21.28305750842645,46.24724729849157,11.88766373968754,22.768481438893254]
[153,"N-[(2S,3R,4E)-1,3-Dihydroxy-4-octadecen-2-yl]docosanamide","Fatty amides","C40H79O3",2.8727,620.5961,2.1,40.68117719960925,13.062026728885478,3.580219306751693,30.76074120247033,39.942978178939335,11.267101276437623,30.478412844373153,7.4391323704094034]
[154,"1-Alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 / 1alpha,25-dihydroxy-3-deoxy-3-thiacholecalciferol","Sterol lipids","C26H42O2S",2.1942,417.2852,2.5,0.9867862585477044,16.811224219067395,14.399276189928344,15.792076828529911,4.311149336550632,56.92915440275574,26.696015055313367,7.613301041368963]
[155,"Entitol","Bile acids","C28H42O6",2.4091,473.2823,0,32.58831162487789,15.493938614408881,19.28768211327329,22.656867595059335,10.952793470273962,5.690379285757325,19.93029239548819,27.51113193948271]
[156,"Prostanoic acid skeleton","Ecosanoids","C20H38O2",2.7949,309.2841,4.7,2.9603587756431136,4.172723811391234," –",5.505650538871397,4.445498637072575,60.006355218229665,47.58823733564643,17.824096002875823]
[157,"26-Hydroxycholesterol 3-sulfate","Sterol lipids","C30H42O3S",2.4044,481.2937,0.2," –"," –"," –"," –"," –",103.09562048325868,28.63419192096359,1.9033252603422408]
[158,"Arachidic acid","Fatty acids","C20H40O2",2.9126,311.2979,2.9," –",3.1404278808174966,19.929477545033198," –"," –"," –",99.23805583158203,2.3093011552407834]
[159,"DG (34:4)","Glycerolipids","C37H64O5",2.3206,587.4567,0.1,10.530593109736243,16.04491865097278,43.538326026395374,3.913191238798741,6.07631291865575,18.602223733103017,11.291714620332487,19.59209596491855]
[160,"N/A","N/A","N/A",2.3164,653.3017,0,23.17363976554868,15.953088644878799,16.63748971961081,22.329541323565028,9.159695875189033,12.715527301303554,16.18010807233949,25.510071741479713]
[161,"N/A","N/A","N/A",2.5522,741.588,0.1,1.8505287984369911,28.151438333690695,19.48137366872658,17.040220604262533," –",12.320075059754554,30.851552157843212,13.323276822395686]
[162,"2,4-Dimethyl-2-eicosenoic acid","Fatty acids","C22H42O2",3.2702,337.3106,0.1,10.362473969391079,17.427118570283934,2.7708653071790152,28.46266160087188," –",5.961841750858658,62.71066994390532," –"]
[163,"2-Oxo-heneicosanoic acid","Fatty acids","C21H40O3",2.164,339.2889,1,35.22583292087268,14.75454873775561,24.73717865360594,14.110140796803101,13.622486996487202,10.952430252877258,8.179535885922755,14.740433418476709]
[164,"2,3-Di(nonyl)phenol; formaldehyde; 2-nonylphenol; oxirane","Carbonyl compounds","C42H72O4",2.5754,639.5354,0.2,10.925307613155324,8.981132923588227,21.916353222996513,23.856308845967543,14.858234523070214,22.675100026111235,4.660214735136825,29.46081864461275]
[165,"Lysine-containing siolipin","Fatty acids","C39H76N2O7",2.3227,683.5473,0,18.852490556821884,7.689971372387488,6.771518268029715,11.219702579317026,15.471452617531751,12.276866501295519,48.93314953743419,12.114120221849099]
[166,"N/A","N/A","N/A",2.6671,561.4843,0,14.623928700748941,37.65980215433576,29.667858527545853,14.354786037781546,5.697208456786905," –"," –",20.459180283652472]
[167,"N/A","N/A","N/A",2.3185,522.2597,0,20.355816782806905,10.053802391323973,39.78209336171192,7.265737133688544,7.273484903504739,10.023446246007992,14.9175191723245,12.053975644827094]
[168,"Tricosanedioic acid","Fatty acids","C23H44O4",2.8471,383.3183,2.2,20.015923738196026,14.581971657337608,9.414793106140293,11.210641644465973,18.097249837633864,37.580174061502,5.7089420142421154,14.078843071234642]
[169,"N/A","N/A","N/A",2.3733,825.6087,0,3.0846207489417132,0.4813158940098406,1.8677399990138719,1.3761294805037543,2.963665758048383,5.386040743567598,99.48681537389541,2.156433688643184]
[170,"1-(O-alpha-D-glucopyranosyl)-(1,3R,27S,29R)-triacontanetetraol","Fatty acyl glycosides","C36H72O9",2.2678,647.5111,1.3,12.583352178443505,21.944204904527602,30.524098181414768,14.402355945749575,4.849876729732677,17.16037292365477," –",13.379662363353818]
[171,"Coenzyme Q8","Prenol lipids","C49H74O4",2.378,725.5594,0,0.7406988212308694,3.366836344118178,1.4142558017224378,1.03181395616372,0.808756185320205,99.14767328318636,1.9936556124970901,3.8066505206844816]
[172,"TG (56:8)","Glycerolipids","C59H98O6",2.0657,901.7392,0,2.3439219277108436,24.80755949109601,9.106577575438829,16.920163217486074,10.507179453691283,4.3753362022214635,10.974948872206827,41.84057741497571]
[173,"N/A","N/A","N/A",2.3474,699.5419,0.1,0.6164368479322696,16.042543737022072,5.60398861432516,2.7760439149915235,10.237150661553121,67.60072902564927," –",6.798843227529296]
[174,"SM (d18:1/18:1)","Sphingolipids","C41H81N2O6P",2.3914,727.577,0.1," –"," –"," –"," –"," –",48.80312746299235,53.20053895215529," –"]
[175,"7E,9E,11-Dodecatrienyl acetate","Fatty acids","C14H22O2",1.9683,221.1541,0.1,10.809573422338,6.234149120604433,37.78906874548024,5.539629044562849,9.501554986418132,7.531439602707534,8.369237407399138,10.540337123106605]
[176,"21-Hydroxy-heneicosanoic acid","Fatty acids","C21H42O3",2.5105,341.3025,3.1,5.69412218821231,13.931245234844038,5.174331552823615,9.559286267861468," –",16.77149589752345,23.939974082920624,23.854842861353248]
[177,"2-(7-{3-[2-(1H-imidazol-1-yl)ethoxy]-4-methoxyphenyl}-7-[(4-methylphenyl)sulfanyl]heptyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","Aromatic heteropolycyclic compounds","C37H47N3O4S",2.6042,628.3209,0,7.138972191468578,1.3632006077055026,66.9750042362435,0.11439430249455075,0.5387273931820444,2.092797135798502,0.4527781597502368,0.12655421415047158]
[178,"N/A","N/A","N/A",2.0545,903.5738,0,0.3703494106154347," –",0.23365965419762014," –"," –",0.19068124711270013,85.28515099959499,0.5074698686231781]
[179,"SM (d18:0/18:0)","Sphingolipids","C41H85N2O6P",2.7995,731.6075,0," –",9.710231506455107,5.122065577542568,59.91996217001695," –",8.6182287796011," –",18.232577921816947]
[180,"MG (18:3)","Glycerolipids","C21H36O4",2.9079,351.2519,1.6,4.142065776619994,1.6473986438067079,5.221985824403392,4.66298359772342," –",20.756076440637116,46.585145799915175,3.888096302068449]
[181,"PG (34:1)","GPLs","C40H77O10P",2.1906,745.5316,0,0.5189764767176815," –",6.513262860758662," –"," –"," –",75.6157423152846," –"]
[182,"SM (d18:0/18:0)","Sphingolipids","C41H85N2O6P",2.4294,731.6036,0.1,35.659531572777595,12.436632721866113,1.6348489620997961,11.558355019375153,12.134003161991629," –",9.275688545397143,19.174842961828382]
[183,"PC (17:0)","GPLs","C25H52NO7P",1.9771,508.3389,1.4,0.24730569195701727,0.0799554363404505," –",6.537464495035118," –"," –"," –",107.03729890683054]
[184,"N/A","N/A","N/A",2.6628,678.6152,0.1,17.647636717681536,38.67468204927098,7.862954810663337,10.781379855897313,6.19603011714065," –",1.9032789442465485,1.6489638200200059]
[185,"[1-(2,4-Dimethoxybenzyl)-4-piperidinyl][4-(2-ethoxyphenyl)-1-piperazinyl]methanone ethanedioate (1:1)","Piperazines","C29H39N3O8",2.3402,556.2657,0.2,3.2149739954412246,1.2832451713650521,61.60928697981724,0.11439430249455075," –",4.3753362022214635,0.4527781597502368," –"]
[186,"N/A","N/A","N/A",2.2124,657.4909,0,0.7406988212308694,5.0751911126596845,6.30496757691802,2.8100224206829743,1.0774547863640889,54.7931487084982,8.163429152967213,4.421879423138754]
[187,"Tridecylic acid","Fatty acids","C13H26O2",2.1341,213.1864,0.9,30.39667152718984,8.748391356418994,10.583859994411938,3.1464096270283366,19.408818256590642,18.264069797336653,2.265680435746244," –"]
[188,"4,4-Didecyl-1,2-dithiolane","Dithiolanes","C23H462S",2.4026,385.2964,0.1," –",1.3632006077055026,2.3419768629610154," –"," –",70.63566059915239,6.957213818296623,0.8883855230958846]
[189,"Psychosine sulfate","Sphingolipids","C24H47NO10S",2.3274,540.27,0.1,10.83515676978183,11.359213426228953,28.63791136759582,5.916790457737951,3.5023931512304274,5.1361825576957845,8.897180320941906,5.583421566876251]
[190,"24-(Dimethoxyphosphoryl)-25,26,27-trinorvitamin D3 / 24-(dimethoxyphosphoryl)-25,26,27-trinorcholecalciferol","Sterol lipids","C26H43O4P",1.9801,449.2658,0,0.12304371865841747,0.0799554363404505,0.23365965419762014," –",0.27002879213816056,3.0443247383855225,73.21852356040144,0.5074698686231781]
[191,"Behenic acid","Fatty acids","C22H44O2",3.9192,339.3269,0.6,0,3.4507499703764726,4.480270145782657,6.745865996609349," –",54.993223120493305,9.798262547954728," –"]
[192,"N/A","N/A","N/A",1.9433,564.3348,0,14.556924695538912," –",0.07763034563802512,0.45870982683458467,7.563466562057049,0.3804231777371603,56.05143068528623,0.38091565447270653]
[193,"PG (18:0/0:0)","GPLs","C24H49O9P",2.0362,511.3039,2.6,0.8637425398892868,0.4005688196858213,0.23365965419762014,1.2617351780092032,1.0774547863640889,3.614489846747143,63.85335316525127,2.1576867006644758]
[194,"PE (18:3/p-18:1)","GPLs","C41H74NO7P",2.0648,722.5313,0,0.8637425398892868,0.0799554363404505,0.15602930855959504,9.536633930733835,0.808756185320205,1.141269533211481," –",86.22476923317376]
[195,"N/A","N/A","N/A",2.2713,635.5069,0,4.317494444806252,0.6412267666907416,0.8562396538689107,1.6060507023492372,7.812212296686783,2.4854314278827805,55.62370744346684,2.410795128965419]
[196,"N/A","N/A","N/A",2.1338,596.3347,0.1,6.817352966460437,2.645654141086986,38.400888103181906,0.6886310486800679,0.808756185320205,8.91035620744371,2.892948202514853,2.410795128965419]
[197,"5-Beta-chola-8,11-dien-24-oic acid","Bile acids","C24H36O2",2.3992,355.2836,0.2," –"," –",0.7002103453093156,0.9174196536691693,2.1549095727281777,55.17545051921184,10.629548932160203,0.7618313089454131]
[198,"N/A","N/A","N/A",1.9534,847.5113,0,0.12304371865841747,0.0799554363404505," –",0.2299212218454832," –"," –",65.39333579950059,0.12655421415047158]
[199,"N/A","N/A","N/A",2.4062,747.5601,0.1," –",4.0634777696587365,2.2474369370850042,6.6190129086946,62.819604618309214," –"," –",14.884529800925266]
[200,"Palmitin (16:0)","GPLs","C19H39O7P",2.0061,409.2244,0.1," –",25.762274899280005,9.531622933239102,12.043115033906515,18.319391750378067,1.331950780324181," –",1.9785059816197488]
[201,"N/A","N/A","N/A",2.797,641.5701,0.8," –",6.449474652135151," –"," –"," –",30.137969525177255,27.253486979274626,2.0724818832166334]
[202,"2-Hydroxy-hexanedioic acid","Fatty acids","C6H10O5",2.3992,161.0442,0.8," –",3.2868809077777272,3.1136686156399973," –"," –",49.883341424468234,6.796146488741202," –"]
[203,"(4R, 9-Beta,16-alpha, 24S)-2,25-Dihydroxy-9,10,14-trimethyl-16,24-epoxy-4,9-cyclo-9,10-secocholesta-2,5-diene-1,11,22-trione","Sterol lipids","C30H42O6",2.5468,497.3039,0.7,0.6164368479322696,4.084851995215095,5.009078836861482,5.391256236376846,7.812212296686783,35.054352024624905,1.2965920029211329,6.24501191411832]
[204,"N/A","N/A","N/A",2.5953,662.5054,0,4.194450726147835,1.5231114803864036,9.79833313062915,0.5731041293291355,1.0774547863640889,0.7608463554743206,40.207774368018065,1.6489638200200059]
[205,"N/A","N/A","N/A",3.0647,593.4041,0,2.714271338326278,0.2406579470049203," –",1.7204450048437878,1.8862109716842939,7.014815534175588,47.919320179732566," –"]
[206,"Tricosanoic acid","Fatty acids","C23H46O2",3.3486,353.3465,4.5,2.3439219277108436,9.280372081377239,18.80499045920715,3.2540082283845972," –",16.051040151043445,7.318720491298788," –"]
[207,"N/A","N/A","N/A",2.1103,960.6375,0,4.317494444806252,0.2406579470049203,0.15602930855959504,0.6886310486800679,0.5387273931820444,1.5216927109486411,51.1236652193879,1.7767710461917692]
[208,"N/A","N/A","N/A",2.5891,612.3296,0.4,8.096520338651905," –",39.03960906580764,0.34431552434003393,0,3.9949130244843034,0.18164815499861278,0.38091565447270653]
[209,"All-trans-heptaprenyl diphosphate","Prenol lipids","C35H60O7P2",2.1065,653.3749,0,2.837315056984696,8.572647724066718,8.988210513772929,9.085852421893922,29.65261987361515," –",0.9064511379980036,7.302554060088598]
[210,"N/A","N/A","N/A",2.0765,530.3011,0,8.066063972647347," –"," –",5.05826688060063," –"," –",41.87303159192161,4.009638468133753]
[211,"N/A","N/A","N/A",3.4438,551.3085,0,2.3439219277108436,9.456115713729519,16.832718509631185,3.096574485347542,4.311149336550632,2.092797135798502,9.826896739875693,4.440674603458131]
[212,"N/A","N/A","N/A",2.2097,963.5324,0,0.24730569195701727,0,0.23365965419762014,0.34431552434003393,1.3474835785022494,0.3804231777371603,48.44099936379263,1.269301177568591]
[213,"N/A","N/A","N/A",2.6612,626.3415,0,6.962325268642136,2.565698704746535,32.36032487180329,0.9174196536691693,0.5387273931820444,1.7123739580613413,1.1775811427496277,2.410795128965419]
[214,"(5-Alpha)-androstane","Androgens and derivatives","C19H32",2.2698,259.2438,1.2,1.7274850797785737,0.4005688196858213,0.31128999983564526,0.8030253511746186,0.808756185320205,1.7123739580613413,42.91817959703677,1.0149397372463562]
[215,"N/A","N/A","N/A",2.3771,871.5482,0," –",0.881884713695662,0.8562396538689107,0.45870982683458467,0.27002879213816056," –",39.95901482570469,0.5074698686231781]
[216,"N/A","N/A","N/A",1.936,588.3355,0,8.142814014978836,0.3206133833453708," –",0.9174196536691693,2.963665758048383,0.9515276025870206,32.608080868494824,0.38091565447270653]
[217,"1-Beta,3alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholan-24-oic acid","Bile acids","C24H40O6",2.052,423.2782,0,0.7406988212308694,0.9618401500361126,0.3889203454736704,2.064760529183822,1.3474835785022494,1.331950780324181,35.254059165691366,0.7618313089454131]
[218,"3-Alpha,6alpha,7alpha,12alpha-Tetrahydroxy-5beta-cholest-24-en-26-oic acid","Bile acids","C27H44O6",2.0989,463.3192,0,0.6164368479322696,0.3206133833453708,0.15602930855959504,0.34431552434003393," –",1.141269533211481,35.84732382955383,2.6651565692876535]
[219,"N/A","N/A","N/A",2.2728,629.4594,0,0.3703494106154347,1.0417955863765629," –",0.5425234742068297,0.808756185320205,0.8049942304215959,35.27285035413949,1.1414939513968279]
[220,"24-Nor-5beta-cholane-3alpha,7alpha,12alpha,23-tetrol","Bile acids","C23H40O4",3.3338,379.2811,3.7," –",1.7241875282128831," –"," –"," –",35.25348712013176,2.0840322807476315," –"]
[221,"N/A","N/A","N/A",3.1154,651.4118,0,0.3703494106154347,0.2406579470049203,0.15602930855959504," –",0.27002879213816056," –",36.308155355781835,0.5074698686231781]
[222,"N/A","N/A","N/A",2.3238,581.4563,0,3.820446551611853,0.4813158940098406,0.4173591849648281,1.3761294805037543,3.2323643590922675,3.7892027135597646,23.933710353437913,2.2842409148149474]
[223,"C16-OH Sulfatide","Sphingolipids","C40H77NO12S",2.1605,794.5096,0,0.8637425398892868,0.881884713695662," –",0.34431552434003393,1.0774547863640889," –",32.33337158975308,0.5074698686231781]
[224,"Makisterone B","Sterol lipids","C28H46O7",2.1262,493.3335,0.1," –"," –"," –"," –"," –"," –",34.44782769941673," –"]
[225,"26,27-Diethyl-1alpha,25-dihydroxy-22-thiavitamin D3 / 26,27-diethyl-1alpha,25-dihydroxy-22-thiacholecalciferol","Sterol lipids","C30H50O3S",2.1051,489.3319,0.1," –",0.3625701964745181,0.15602930855959504," –",1.0774547863640889," –",32.095349869410065,0.38091565447270653]
[226,"N/A","N/A","N/A",2.0573,566.3454,0.1," –"," –"," –"," –"," –",1.7123739580613413,30.83276096939508,0.6340240827736496]
[227,"N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-tyrosine - N-cyclohexylcyclohexanamine","Alkylamines","C26H42N2O5",2.0372,461.3015,0,0.4933931292738522,0.4005688196858213,0.07763034563802512," –",0.27002879213816056," –",29.44131820573575,0.7618313089454131]
[228,"PG (38:3)","GPLs","C44H81O10P",2.3778,799.5449,0," –"," –"," –",1.302509384838944," –"," –",29.828774615166292," –"]
[229,"N/A","N/A","N/A",2.4866,551.3095,0,1.8505287984369911,8.191078215986547,9.218795698836368,2.1791548316783724," –",0.7608463554743206,5.745629572640851,1.3958553917190628]
[230,"PC (33:1)","GPLs","C41H80NO8P",3.9675,744.5598,0.1,1.2340919505047214,0.0799554363404505,0.07763034563802512,0.11439430249455075," –",1.5216927109486411,26.341666930291442,0.5074698686231781]
[231,"N/A","N/A","N/A",2.0219,930.6143,0," –",0.16070251066446983," –"," –"," –",0.19068124711270013,27.730425238458174,0.12655421415047158]
[232,"24-Methylene-cholesterol sulfate","Sterol lipids","C28H46O4S",2.0632,477.2984,0,0.6164368479322696,0.4813158940098406,0.23365965419762014," –"," –"," –",25.99805662723988,1.05253009788511]
[233,"N/A","N/A","N/A",2.3818,751.576,0.2,0.3703494106154347," –",0.31128999983564526," –"," –"," –",27.18279631796975," –"]
[234,"PS (25:0)","GPLs","C31H63N2O10P",2.2782,653.4296,0.1,3.474462233800065,2.921144159368934,12.56842982052462,0.45870982683458467,1.3474835785022494,1.7123739580613413,3.533638246746413," –"]
[235,"N/A","N/A","N/A",3.4624,649.455,0," –",21.88562369374351,0.07763034563802512,1.6060507023492372,0.5387273931820444," –"," –"," –"]
[236,"N2-[4,6-Bis(isopropylamino)-1,3,5-triazin-2-yl]-N~2~-cyano-N,N-diethylglycinamide","Nucleotides","C16H28N8",2.317,347.2307,0.1," –",0.2406579470049203," –"," –"," –"," –",24.808842844022365,0.5074698686231781]
[237,"N/A","N/A","N/A",2.0933,932.6342,0," –",0.16070251066446983,0.23365965419762014,0.11439430249455075," –"," –",24.196786991711765,0.38091565447270653]
[238,"4,7,10,13-Docosatetraenoic acid","Fatty acids","C22H36O2",2.4093,331.2649,1.2," –"," –"," –"," –"," –"," –",24.40259524614369," –"]
[239,"3',4',5,7-Tetrahydroxyisoflavanone","Polyketides","C15H12O6",2.8022,287.0479,0,0.7406988212308694,0.8019292773552114,12.453905845276443,3.0784526156454346,1.3474835785022494," –",0.6344263147488496,1.5249156299121178]
[240,"PC (14:0/p-18:0)","GPLs","C40H80NO7P",2.5225,716.5766,0.4," –",5.4124288936600005," –",7.910196124969727,2.963665758048383," –"," –"," –"]
[241,"N/A","N/A","N/A",2.2852,655.4327,0," –",0.7211822030311922,4.95911871343107," –"," –"," –"," –"," –"]
[242,"DG (44:3)","Glycerolipids","C47H86O5",2.7904,729.6294,0," –"," –"," –"," –"," –"," –",3.3645175507132214," –"]
["Metabolites highlighted in orange were validated using either standards or MS/MS analysis. DG, diacylglycerol; GPLs, glycerophospholipids; MG, mono-acylglycerol; "]
["MGC, mono-glycerophosphocholines; N/A, non-available; PC, phosphatidylcholine; PE, phosphatidylethanolamine; PG, phosphatidylglycerol; RT, retention time; "]
["TG, triacylglycerol; SM, sphingomyelin."]

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