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["4.93_357.1930n",358.200313828611,4.93086666666667,"pos","(S)-Laudanosine","HMDB0030213","1154",null,"C09558","15548","2688-77-9","KGPAYJZAMGEDIQ-UHFFFAOYSA-N","Organoheterocyclic compounds","Isoquinolines and derivatives","Benzylisoquinolines","***",64.5,79.4,"M+H, M+Na, M+K","C21H27NO4",-2.71827717250615,7.90379000370784,0.0171983752400181,0.115146942478558,3.73962001536657,13.3578879764538,435322.542213772,32589.1744998255,290.591342091866,357.123467585581,4053.21503968484,222.551553544737,298.774818749779,1464.10702070892,549.863239779215,9294.43452373545,1586618.54337083,9927.26556539086,165.288804300665,3496.21199207406,880.888572519077,51364.6084205178,1816535.30780997,180.033268588995,2618212.65291611,3848581.98616435,1163485.46053674,160.139599152869,9267.74984910384,36250.6447094079,691.844875618741,370.919685975628,442.878329005505,577.158359809532,480.455471478255,353.454015911025,420.514667377645,406.903372295621,1614.17385544367,234.203069724919,3090999.30044148,432.951613097205,556.136928443553,617.090123314495,523.723041861765,34527.3095770695,6242.13732640166,10528.2304826342,639.420639366561,118.259513674932,831.015271112351,1099.04798193278,558.579030663222,264.070221048528,1220.89012824773,330.191421039557,1645712.50033082,652.857067064867,2266600.74091869,400.00720621074,281.568051455491,539.85817464548,287.573244341011,1922.56925516166,2638400.0754647,316.155946659769,1543.87133429292,275.463198279687,190.813620673443,194.525088771754,2344829.11134087,2553599.11573992,234.053088432125,1784.44872543428,191.105695389383,422.467068189827,1229.66806697082,413.910813368105,452.665069982269,408.821335296085,366.515104730085,2867.32671954746,404.207853937085,14165.4409012901,305.363550405358,71.6148775734551,201.446107153279,818.165192895079,192.934565406853,373.90728300104,829.943418828993,4099847.00772732,266.302824650468,243.59681747262,2709.09762874944,6805.35134189149,1020639.11137337,144895.352230453,2387207.96468075,1798751.79945589,1633600.24842025,652693.212554773,172.004940970827,470.379377487047,8042.13869477683,191.803230184943,592.003879898705,327.035369664431,2172728.49052877,2.78597719902934E-10,1624.98185213605,557.363521785137,2031808.67939116,3361256.17167975,457.115550397044,197.286850062536,799.665678675162,2365649.79814436,273226.669901693,1764626.88025576,1769448.9960028,458.878168766204,440.377016051396,1333.33723070658,1937980.30967889,3347605.59371459,836.959315272369,296.951158316854,348.835195753291,892.672697444326,321.868617861473,395.752495503985,714.443830271092,450.077971876481,635.788793130608,545.949506978312,308.315292453827,308.753751275201,567.018858024593,496.660140622133,485.805283113491,1053299.11909429,155.781753697639,809.64212620087,804.064280158338,412.495913654779,831.072181289966,488.624709422547,234.539099606236,1486.48966117944,327.189214095481,368.52788327454,441.430211319852,529.478765809458,271.576132470684,592.661092414807,173.025799094957,306.685422924839,251.060550499144,299.729993436879,295.703652679289,456.471471385609,1258.79670307443,894.211209866,1049.88029139982,406.397198425456,643.277441799382,290.650246780272,5666.33731502938,310.370050411638,537.984746788604]
["5.39_278.0358n",296.069588988729,5.39118333333333,"pos","Harmol sulfate","HMDB0253052",{"$nulls":3},"5488302",null,"XOPVDDSGVTVABP-UHFFFAOYSA-N","Alkaloids and derivatives","Harmala alkaloids","Unclassified","*",39.5,2.22,"M+NH4, M+K","C12H10N2O4S",-1.31044053085648,7.36336331442588,0.0466572421484358,0.205575758725449,-10.2204942022895,8.38155645496296E-4,215.856050638879,257536.952472669,39.5825570124055,52.962057102745,2.78597719902934E-10,87.088785794153,276.221844030545,2.78597719902934E-10,230.789253631132,935.722544272781,28.5342162763731,391.53793935248,263.631384891962,245.542122549482,204.737815203232,0.00254607109729756,63.1611552134308,25.0201474766448,77.0118621749409,37.941509086166,156.276642970386,468.614795285629,44.9450400863282,74.2238523222466,2.78597719902934E-10,470.662992970804,72.49554972371,406.228271432452,2.78597719902934E-10,382.171907208627,770.460585409968,41.0838111176207,36.8358194940374,76.6183752228802,29.7456261379947,113.009602810769,391.65886683119,2.78597719902934E-10,86.9539706831203,2.78597719902934E-10,601.559612572763,345.936785594763,268.070959279481,365.827044364443,206.796034048203,1865.49890917329,2.78597719902934E-10,336.007182739452,178.746466977048,264.925869722273,436.242983383109,132.661713845353,87.0489563714584,125.382125230272,51.8473688123136,87.2936663234734,197.307976047101,2.78597719902934E-10,168.471144998858,68.7656194280774,430.666666465852,92.5217112858998,275.446389030218,193.319283025273,290.353696672012,2.78597719902934E-10,71.8808221997344,249.619282842364,161.011001723338,210.690861071491,2.78597719902934E-10,508.759892300932,103.303531087555,219.034226659484,216.566171592095,39.7700948819998,57.8027578426616,1673.59765566505,646.090059197324,109.630491108904,237.281294673937,28.0166171840603,62.4098608550982,146.629559216237,106.207262812655,128.147037316782,2.78597719902934E-10,199.548978067343,97.7687764150093,153.785132464776,94.5459637083054,420.240034709536,38.0014255940844,137.663163367531,81.9189103255748,105.64372986809,236.877284960329,242.588956538029,90.6698979997413,554.593018574106,116.920021118873,61.6862772634968,118.353629878781,399.826287918584,2.78597719902934E-10,23.8958219945001,2.78597719902934E-10,1160.42269533796,2.78597719902934E-10,697.025834397814,260.875931449465,360.998310689108,400.200745317829,181.889362822172,2.78597719902934E-10,337.947394782282,234.780603637847,382.030102836005,537.184382204434,58.6629210402017,162.493361821765,260.525973128548,28.7431574084765,76.5365398049756,48.5196931466811,311.773773868392,513.158044218199,39.0869113754108,36.5809062100551,2.78597719902934E-10,168.702531315199,2.78597719902934E-10,57.5240542677009,254.172997218172,8484955.96806073,237.629801778924,734.204160756926,2171.73851620585,500.493988561615,496.552888650797,191.157858005582,102.677295380293,124.723003753143,770.884139538018,2.78597719902934E-10,200.499797090138,119.723496662391,131.924453480629,113.166060127962,558.281919797263,55.5251806607493,338.615435094492,72.444758044998,83.4689757544379,176.035341977813,3687.14529584821,262.653079072909,70.4779374554545,2.78597719902934E-10,151.350575623483,1472.99666299011,2.78597719902934E-10,186.194417620729,304.596038354896,136.605407580191]
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["10.00_720.3134n",765.311563949387,9.99791666666667,"neg","Ritonavir","HMDB0014646","321617",null,"C07240","392622","155213-67-5","NCDNCNXCDXHOMX-XGKFQTDJSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",48.9,49.6,"M-H, M+FA-H","C37H48N6O5S2",0.833545455159465,3.68147586573086,0.000917152620657511,0.023867463901642,-1.80913351005935,0.285362267530176,35859.7203966908,125663.847246023,9.69482462550763,9338.30904623912,2.78597719902934E-10,481249.924063278,2.78597719902934E-10,0.00315808730294531,71352.8498150294,458.730310799956,139680.169996888,2.78597719902934E-10,2.78597719902934E-10,3.0316847043554,4983.05979506617,202.181563113163,11444.337681185,2.10510088089758,2.78597719902934E-10,113.787564586979,90.0147505662372,316486.861662598,94.4260037561857,2.38213003564055,2.45529940406068,2.78597719902934E-10,16.7557768536292,5.15975955202332,265.123094006524,22410.3273051069,2768.01905193819,2.78597719902934E-10,2.78597719902934E-10,3.01561132751429,214.075365842448,7258.85344679436,641706.701337247,2.78597719902934E-10,0.0375067813308529,0.886835342973013,2.78597719902934E-10,6.37076012195623,2.78597719902934E-10,482.848137819863,171364.298920087,2.78597719902934E-10,2.78597719902934E-10,2610.20195388036,73.5740736363174,15.3710304584609,345.295259235296,213036.512291856,2.78597719902934E-10,2.78597719902934E-10,129521.58601684,4.08565355900832,540187.253167243,2.78597719902934E-10,1197.69755512569,182.089629941199,2.78597719902934E-10,166.347817624662,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,1.04815223144248,2.78597719902934E-10,116.800114795957,214.975929801118,443.929796834691,233.305450667735,2.78597719902934E-10,0.511187732573693,449949.027795024,2.78597719902934E-10,7.02170396525291,2.78597719902934E-10,2.78597719902934E-10,6.70125052487523,1850.96414877406,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,1.60347542648015,229937.652969059,57220.2693364826,54443.4665625728,256.257054195884,2.78597719902934E-10,25150.1728077636,31993.009629929,2930.29425781032,74689.945659968,1068.37796520702,12263.923206866,2.78597719902934E-10,0.0479783098195095,500.247565346472,285511.518052143,0.162990644352132,226.305171746418,8.86060640747459,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,1368.07100295072,4.20599621217871,2.78597719902934E-10,2.78597719902934E-10,1565.37106011593,2.78597719902934E-10,3797.58731646012,339525.452045447,2.78597719902934E-10,66772.1779030996,2.78597719902934E-10,4403.96251802106,2.78597719902934E-10,140167.348258045,2.78597719902934E-10,2.78597719902934E-10,1.6563884317788,2.78597719902934E-10,13.361915514252,2.95003324225642,82337.4089979949,18486.9196683097,4361.65679895657,572.309037699201,4.23650937048158,2.78597719902934E-10,0.118406442630648,67.1257722867871,558513.898215919,2.5089890160696,471706.033733092,2.78597719902934E-10,227437.717265404,2.78597719902934E-10,180082.474164118,826121.462751279,460015.396647119,284992.387647325,56181.1662052616,103156.54654522,11258.1186931781,5.895000134053,10.61360907672,294382.058402513,574905.727492454,1.38097497055433,203.576795674805,97758.021772176,1.34269540029552,94.2763866067092,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,4.874444730007,2.78597719902934E-10,2.78597719902934E-10]
["0.66_188.1521n",189.159410158417,0.66215,"pos","N6,N6,N6-Trimethyl-L-lysine","HMDB0001325","6161",null,"C03793","440120","19253-88-4","MXNRLFUSFKVQSK-QMMMGPOBSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",67.4,46.7,"M+H, M+Na","C9H20N2O2",-1.82917443710473,3.17499703311705,7.49434302399715e-06,0.00131387666383866,1.07530360249134,2.10716545970538,100968.84500554,47916.9039813596,78096.8695678349,109299.874966252,78404.7465532483,69772.3646648306,76226.457863195,66641.1554091305,52143.0325631837,46307.0465217098,27338.1919345233,105983.094380925,26282.7368178603,104833.669187586,73001.6496994121,276510.604003738,65742.3524035615,64859.2244477448,60450.5800027834,28349.899953004,76861.7259011696,42670.3281408453,109947.127867405,138669.245184767,143850.669196116,91681.0802757061,84197.4228903363,175945.739990341,39397.7060427931,139500.460037465,64550.4758986392,123747.995921023,50388.4964175536,95134.1063627954,212515.374444402,144388.743478891,102629.055603173,13481.1663143949,86447.5462840523,51612.0357472431,218059.475174606,86792.6399801665,92691.2421808781,166743.053585064,77358.5489778051,212569.403150373,64218.7365617368,172192.431168222,179664.933382609,43509.6231070142,97569.4457487499,34350.7968269464,225688.012323043,183178.364915097,52299.3247133053,56321.3329203667,88376.1506526421,31161.7048796026,164041.496960052,33189.8949309062,226475.940017133,230004.794753777,43980.4643881758,26347.1988206932,218682.617660421,113170.900827355,101252.1309973,172145.64870008,130912.573734118,81440.909733278,85111.3179039694,53605.6287562975,89308.5243580075,48353.3804460394,127751.132516907,138863.766663351,66231.7425221673,352682.124417543,51662.6216893859,70288.6352090626,97963.9872785124,90786.1991959533,40979.2614672947,98070.1063708844,81196.2207353132,51023.8533989236,60574.2385762274,70376.6130276575,62704.3278327043,203623.644819971,105297.936406145,76456.5096162936,93119.8775514307,96275.3343845589,137601.710916067,193394.256730717,45570.9437474967,58790.1494182058,81144.6377361277,206477.27214597,81718.4082846683,40169.1381976042,95347.0498549611,55000.2832355192,34809.6635917412,46974.0883014156,170717.924662827,148752.031996502,60529.024462825,140230.641284882,78405.7263982759,157266.32194087,103484.453929271,59281.5729701322,77456.4685542322,90453.1223990555,47467.3726631009,274456.2124017,291537.908549202,236132.803591323,28812.2777265719,95584.1112448249,117533.128298321,57870.5159837578,19530.2930631949,91725.017563062,25758.1426557514,69180.2974384236,57717.2148660423,90791.4660565139,98808.7225515017,24912.6454517834,32948.4485292132,50106.7384626594,99227.4243865303,128220.319299283,47773.7525595535,33583.1250251524,86081.6162301517,32985.6262343591,42943.0461627864,66754.7945531142,17173.8800812493,75445.2851259071,20287.2730650869,50705.9431181217,63784.0389228936,40431.490025783,43362.3363440257,21052.671443489,15852.02605829,28342.9684797808,52269.6711248509,21982.4813430295,46897.1403625122,29373.9388935449,38547.3585321508,36638.007560059,21018.7434249948,42336.2321970921,108381.662973502,41717.3854471459,36995.7924524157,23852.9392021477,84183.6737639915]
["1.47_217.1312n",218.138444187085,1.46765,"pos","Propionylcarnitine","HMDB0000824","965",null,"C03017",null,"20064-19-1","UFAHZIUFPNSHSL-MRVPVSSYSA-O","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",61,68,"M+H, M+Na, M+K","C10H19NO4",-1.10687480304117,3.07153650498009,0.000526775340018656,0.0171708071756508,0.674118836063511,1.59562190698951,176954.483371639,110900.008702878,155733.15831753,223251.169421712,157795.945571311,184587.414326052,163148.280888162,387218.520324505,92592.4700855285,193270.370917092,66901.7676763974,172502.443446254,110396.209941512,267111.477903761,151249.60780332,730599.168331469,210063.386143783,63676.5572560496,108274.78834994,51839.3519231011,121305.227126335,144749.880281828,135012.672393555,299870.525531611,248820.084969633,219611.759554861,210592.646119503,226903.586142547,150586.526831892,287173.88488141,226177.50875962,199232.73288804,113462.100832767,161644.505810197,259987.50968941,244727.068451888,155477.762802311,16663.4097526155,210903.415647693,256976.789324298,276998.023764285,118420.632679245,90979.9762937941,363405.58540161,164630.469991646,205166.384427788,250128.043343419,240919.274199697,101031.76184989,171522.234520978,117097.181894274,146802.075806722,273058.595616276,333728.279966276,107567.272486094,84023.6518683298,196067.070243725,116867.036469101,142556.655718805,79598.5673407972,23339.1138284548,279625.080896619,188391.368181438,65810.088901819,248777.671756208,178886.913902635,273419.339234585,237242.116822225,303361.047974378,217780.779081572,58808.7129333711,188070.154244832,225826.700371812,66453.1017139764,265170.666209085,287277.269994766,190373.644658632,480329.293473331,124487.484314341,142329.803870036,228109.434120277,179499.140228098,75507.9763111397,379733.406044704,230680.826523961,87676.2113444768,138098.48855933,63787.640151058,526773.452413686,354134.027259677,134297.203354493,163410.171005592,122922.38237601,134057.944659912,238030.848320504,111399.554006247,152913.64880796,148315.611145288,123961.210696584,207272.190982815,92063.1020484994,118939.067003466,111592.574944105,96949.6711285817,66088.9320894996,135801.748009486,103408.026214447,410620.695296473,117417.270744679,287540.79447476,41475.4317471828,86083.2148296959,180021.944982112,120755.291840339,113115.262735792,90697.3959744061,104819.751961835,242519.319616795,78432.1605414421,134115.956013869,118922.332396773,217279.494761084,185993.869785284,118087.221901851,62612.771531958,78196.837246578,41983.4455868082,94582.9149825793,138202.563992398,145043.979720979,208462.541918281,55255.0713129105,118143.730349042,110908.165690115,91977.2800555186,107863.266562735,85286.4133944908,93425.3303249369,171851.802338839,100456.790927636,72143.7658515197,146284.63844153,79470.953766698,120611.000349868,63247.6606764941,109578.945142914,72899.6709942864,42224.5924282199,102524.359993288,59706.573641065,109441.748036547,148251.637304879,92777.5376318141,89516.257050728,114836.81160145,116475.322634061,92911.7821816342,82527.2137617496,67980.0262360814,95190.4556122085,345744.691124417,186327.361493196,153413.609729954,60278.6595237167,155422.232343346]
["3.34_184.1210n",207.11020616059,3.33566666666667,"pos","N-(3-acetamidopropyl)pyrrolidin-2-one","HMDB0061384",{"$nulls":3},"129397","106692-36-8","OAUYENAPBFTAQT-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrrolidines","N-alkylpyrrolidines","*",40.1,12,"M+Na, M+K, M+H","C9H16N2O2",-1.04431902994496,3.01716075946807,0.00770018337107642,0.0763075265908935,0.71069412866417,1.63659134635788,211709.31558732,129359.913859048,80949.0995822405,265739.238393924,104933.989356413,167245.093514885,168710.024911232,65765.4695942085,132834.684082174,55730.8131896511,22913.385596798,100879.956580201,106984.34372353,232611.792105741,184821.204517695,612503.512930847,127452.383624041,88026.199842214,244448.045712474,120659.746287608,218525.239986816,61907.5532178146,252923.576357989,317470.544323606,179612.667938224,157258.822656172,134149.296091152,140367.698319978,75674.8847297785,397916.701195699,143832.282986797,338078.602005849,132324.742918202,126638.098398582,62663.2391526687,139762.333645888,284879.300841129,62151.0094144033,253055.415304776,197444.767411023,176441.918658594,422192.716148577,223359.198080808,131409.830893825,439218.678814647,865671.438956314,71338.1280192127,271917.915784088,282936.638881776,137605.422413048,193477.369753479,86016.446111676,379226.381019581,150921.752310714,47577.0730390468,82587.3832118933,200594.695843197,162717.05082287,158178.732938252,166009.494012439,203714.248193556,178050.590579936,164265.079346579,88261.0537969003,174998.127471164,351566.046482765,123775.240425006,427301.793126969,210629.750165861,110085.342247654,240587.142608159,130330.644073672,179325.911758756,246281.74525533,264172.398111045,160682.35974849,99451.338758848,1130606.92740926,208009.698822863,49833.6935338035,160119.287463642,126047.577732463,106233.562193423,248760.500915838,139456.745918754,288676.536321904,256858.550395602,282637.265599798,99992.5379975844,523892.791563125,148736.998696104,78599.4914161334,200347.852037996,224062.941242556,220255.823598697,192903.755800951,192158.427380239,117186.378865919,158403.822715247,746938.299280633,138760.040217042,330458.156819065,95903.8873983681,120003.806421581,87998.471914573,164911.442774266,120703.386485974,132350.219720356,86367.1613133793,127549.168330992,675846.673873874,30505.1882201148,443263.348239862,55050.8809994272,322074.675940058,405429.088081257,322914.491004381,282414.863152453,471452.11773982,444405.820340856,100554.256943874,23212.0775598047,456033.893514279,369130.495585117,107135.797890823,241774.031234327,104964.464166455,163802.965319093,73606.0092751538,480446.03330901,66049.272421314,13696.5349349489,101660.121123289,170572.795151107,101774.613077737,252136.652896312,102465.714179429,34570.0282632284,220840.151047594,164120.644968473,59501.7754254001,148624.44196839,60208.1927335069,85924.0129062492,55940.8331308272,80932.1121025472,261578.447399617,293313.193712046,80876.3900548683,105451.170663047,41982.0676001735,133064.701413893,119943.262290956,54483.0228616983,88719.2290809356,80246.7587373549,107799.089398021,133915.844117363,58232.7860669548,66925.5772932686,173892.718403026,49728.6608906746,37962.8910028337,162383.810372643,579105.447015135]
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["0.73_146.1173m/z",146.117304926895,0.7283,"pos","4-Trimethylammoniobutanoic acid","HMDB0001161",null,null,"C01181","725",null,"JHPNVNIEXXLNTR-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","**",59.3,19.7,"M+H","C7H15NO2",-1.72441316265479,2.12392889335303,0.00619238465523319,0.0674079519169338,0.37324621996884,1.29526403840138,123432.670538638,95295.3736683526,112007.08067714,88037.4610126191,85532.6130733725,63251.8088482309,109612.083703925,152124.363631712,75789.7504324111,57223.684748929,45962.2810240121,195005.10861784,119171.59982627,84234.4902551911,66402.2727983867,252860.877037891,139112.910127192,61405.8605441584,109508.646803401,66850.13594885,119397.18490271,106270.674112599,144903.682835915,261703.477098866,68455.8732856079,86055.1670401603,78013.8506372545,113647.987026208,104634.275088455,120179.765048524,128687.999951668,115930.024847469,127026.487378579,86108.3090554252,146067.57291014,165432.315045665,60712.3128414204,47028.5740881886,122266.827689358,56388.77002705,96778.773022399,129456.487676591,94005.9560119984,104263.587634709,181419.433913212,288566.902118495,144303.74587537,85127.721657887,223444.984524813,79993.4819417861,141147.802915477,112393.33699135,210880.774053707,134351.589115728,72842.984771408,82562.728173948,155370.497928362,100918.534234413,79648.535570325,123065.795793222,89932.2040181853,200908.916247189,121359.787817685,79062.296965029,185183.542423566,124761.07659822,83626.7212085262,121232.071462496,150568.681824133,113713.272364059,116374.992225774,82309.0812513568,107990.839110403,85901.4478075143,240592.686801236,226523.912773354,126994.890128882,360443.028293782,104617.52486953,141663.831905293,194283.773220864,125015.863914468,109319.12877361,204450.782769543,98604.0682151341,55400.3095651066,168975.246385531,170476.918853251,140262.838708739,378422.760307322,118479.252247408,114831.842059122,118087.013398572,91374.8961043572,168977.079752941,148462.071062302,92263.0359411908,77160.4544062712,127606.833163681,128390.720850128,118403.988934743,132029.040871019,130886.341158293,102701.505282305,75598.4701421758,118868.534546179,111623.705449218,176181.27624936,88071.9966309005,122352.509428754,118512.771973189,97451.9326266456,162041.039260117,67245.7528468424,80857.4630146676,63286.2739141904,81007.5367379161,121080.403865409,169353.697000054,173912.607104729,102490.597336457,151881.991328075,170073.540436703,80540.463434224,104813.218929369,124408.972887358,75893.5278164146,112272.499954447,81780.9953530838,109122.520098836,62327.9692076738,81020.5164598957,69927.088194304,90113.9131000445,51159.6448872203,142155.589179751,130280.635824462,56011.284815444,107027.437818048,73872.4957009032,84368.4895172704,107703.642771415,78995.8641226855,114451.257693277,93637.7093021985,79579.7537605419,134218.107504924,40807.952667237,57661.6392186832,35921.6059704088,90214.141564589,120118.025316366,126367.117937141,94795.5394890199,107321.66587122,72068.0523496965,115780.816516795,153837.545597052,103422.313140773,116208.654347531,210765.245446274,63939.3748477019,71063.2615814068,68410.9090338082,82540.5559674421]
["3.71_280.1055n",281.112764910086,3.71155,"pos","Phenylalanylaspartic acid","HMDB0028991","23739",null,null,"6992643","22828-05-3","HWMGTNOVUDIKRE-UWVGGRQHSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",68.2,51.3,"M+H, M+Na, M+H-H2O","C13H16N2O5",-1.54635229303261,2.11048657281012,0.00298634849274783,0.0454612776000971,-0.561619145787861,0.677541327931841,41328.7817443665,60998.1709462955,27386.5242586029,45558.4933611355,69886.9821490868,43717.04802256,73399.0374543292,19264.9392455389,4068.97021489964,25285.9795867845,2695.22299175177,17682.926003003,15501.7360616809,48560.0196251447,33589.053237872,56727.5710366904,44157.498338499,67934.5189529146,80726.1730042981,82391.0636301633,47255.7936568529,52450.2144393982,42991.7847721289,37071.8040217242,10118.2741588987,7567.892260228,114704.310792452,46368.7974224252,148245.653083519,71526.0093291979,17597.8253407304,36454.2229354924,32681.9719989701,8886.47481143014,17065.8808968215,51015.4366945563,7935.1614026258,639.543924710577,13212.7651493732,24830.0973661897,16797.7215699179,27364.8535133323,30176.1363117905,24618.7608777188,54953.2953048548,10470.0254834924,5519.53146140865,15734.6591538811,19141.1776198121,36781.5411561707,39163.3958669552,15263.0631355929,18355.4347378562,42982.780792486,31524.3029226777,126933.224260744,52135.6789776376,22512.1335311733,27640.0814493204,42513.7750553655,64988.8754079468,10726.7982171568,24788.0400838252,118680.970832066,51187.1664223285,19370.6742814171,6111.45177403107,6345.5968851196,23250.1765643864,26845.9943454056,41171.2987383901,106214.932807246,7955.51442117608,58749.745365579,9825.01154367506,7103.88709111023,13494.9631188626,37370.7978333421,29400.0580035652,17160.001004614,7155.11785365688,11713.9825604401,23817.9356859997,21819.4544619506,151608.590919039,5382.06328560826,45750.4040798033,79057.197833059,4462.86745707752,28645.315491092,30881.5799314102,61975.4740807811,33504.1244692315,42606.2314655845,100175.702201148,13475.1434894189,5383.57335058579,39476.9974122053,76518.6383366096,85209.3309944756,102847.385092739,91512.8765578769,30750.8428103104,53641.0376192021,49133.9613390557,34321.3941472698,23799.5330226862,83794.1690047469,40370.6493808778,38011.7036627393,80833.3690123955,15990.5846380153,52530.2985522428,126965.020942355,9042.80190797193,9637.37628985572,34117.1471045076,20646.6914440272,26050.9413816346,32620.4012056332,73192.9884859463,33586.5703558056,5307.10411527556,20244.637926853,99276.8769248067,6626.30834142114,20278.8310643486,111765.853195571,14123.2889931326,58143.168342649,94192.7531125971,122288.135877802,171560.75929942,39463.4213658393,36474.2523309137,26585.8248303478,103887.708470288,48177.8496981195,32531.3319427747,40625.4396853229,56621.3104020579,39861.8856093338,60396.5369166473,33641.8984239354,60282.0564657272,32334.4407377808,125474.268415355,76726.5920973383,62168.9175957266,42128.5829763973,52277.9109222855,36099.46681932,58469.2788053763,85382.455102861,55978.7359893835,32832.0434457237,112068.481184782,119473.789800346,60569.3047121074,34985.40691751,30381.847456632,87934.7911953662,54553.4019937402,54174.4819292582,48815.1676897332]
["4.13_246.1697m/z",246.169730829497,4.12808333333333,"pos","Isovalerylcarnitine","HMDB0000688",null,"LMFA07070076",null,"6426851","31023-24-2","IGQBPDJNUXPEMT-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",60.5,56.4,"M+H","C12H23NO4",-1.03532529600215,2.07168678344868,0.0281915610501725,0.150732086449638,0.523468922038811,1.43740730397944,101545.657442304,70645.0128374725,114104.973658887,102926.709471517,62124.7496890021,59049.2494713843,176717.45772339,66418.1165378994,37026.0830710666,87395.1869173357,43455.393931128,118633.214076828,36169.285629751,164211.632190876,76277.2458759162,426814.364072638,122506.341986162,43447.1420662625,27404.1934049137,26295.7673824781,53411.3045582853,72635.6341797115,103806.46222888,179967.302513031,97223.566210799,91445.5368263432,75331.7033245513,66284.9783968267,67538.5007071897,162631.109638678,99239.9475898721,129149.63388682,55370.7636006961,135614.480781191,121862.729930498,109364.865976386,89450.4476267571,16733.3185484808,71924.3793968418,96397.6340762733,146648.474092879,79512.3844699182,101631.338127088,181584.340124391,72875.2437873889,325008.186404264,85253.0391064407,117535.527422974,85301.1671030325,51662.9510758095,44286.7941205939,51960.1617431672,270227.181314678,200671.142137805,41809.0589317192,34580.3678339461,139497.1891673,41012.3190967264,116595.393209675,28442.7514332818,47275.4372310291,242883.327998525,57470.9572427759,60583.1288665274,148239.877532916,152671.980218083,101483.70123626,133951.152486357,170781.45193677,106861.465478634,40991.2578455066,113971.043871059,161513.070346202,21834.2541366495,126152.754335701,139750.370938635,94455.3154681794,560725.035570827,82092.0276157075,85584.9124263743,83025.3879417149,61688.3718773542,38895.1207018376,251565.670305744,110810.031564441,39096.9439231052,63979.1256831731,52254.9290285071,231589.01537326,239149.089509595,55080.8999936627,107491.230475504,69582.9116139271,118360.341662438,184891.530384573,98120.4344571126,78793.7455301035,92948.5822938141,40089.6120026502,98357.8842570104,45077.5975206782,103170.729675951,72234.1869853105,68497.0036155013,17810.8630258611,123146.393436526,157991.776140736,104182.943359919,68482.2106599806,146665.525784476,35655.7319369706,84158.0933618419,136985.604811554,42438.0334699246,67445.6874566224,56047.0321865846,53430.3882693241,124972.167002382,57689.4160161038,83653.4353719454,60014.6005954412,97071.2961858687,140295.830994427,51715.3717493388,14259.3596762763,63772.2782204508,36725.6529121385,87211.5616501885,88630.0005612015,112338.292276233,118902.337478218,12764.2658906679,45498.9244705446,74312.2829722347,85874.7996891515,81669.6366512636,78572.4228035489,42406.4177757501,97065.4499183075,46275.3519330823,71211.7244986341,71427.7201786392,49324.9816218905,77293.8817439471,68477.6192254237,83535.8476149646,43504.9043008532,27256.4958722576,36817.2212802837,46302.3085577367,53840.5763884732,77178.0817563987,29485.3893132262,39763.8508411222,346799.124379844,42141.9064488666,51578.6524815954,57808.3825777566,32917.4407127898,45974.8966355925,188645.002986166,48673.688402787,68511.0551019182,37901.9503379792,83237.434163562]
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["0.60_164.0666m/z",164.066623490462,0.60205,"pos","Ammonia aspartate","HMDB0248341",{"$nulls":3},"129713638",null,"GOVCRMWFUKQONY-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",41,23.3,"M+NH4","C4H6N2O4",0.282677687387264,1.35685418309889,0.0459640973816239,0.204141877837586,0.292516684243302,1.2247749525923,93922.4714721821,76685.4933417691,105460.809497071,178690.757807813,109881.873324903,79770.3470675257,46640.0369113543,231352.471831612,84389.6241145064,82208.4652814231,85127.6648585932,77875.1210186282,137222.11807733,59535.123602628,71410.0519137649,51779.7676341609,124869.153092915,90446.6862316242,88486.4288042614,64958.3037072855,149843.86672388,39650.8310128535,226141.750334757,146035.997548583,62523.0883533123,107423.320418236,71329.5409807139,67899.2902869615,61118.8077976551,64144.8206702843,65103.798637143,38231.6582496653,52593.7882967424,140279.191777203,78646.3344860724,88650.4154557748,101903.955104925,332862.642721535,96108.5322628526,55569.6545231504,98456.7112455268,137962.702250316,107159.076917217,63849.6686743995,105123.678100538,34242.1124071539,171801.085708685,125796.225825289,113131.148067113,84659.0720083953,86680.7559925656,113671.616010303,98846.8479597994,175540.995625062,102425.432171445,70308.6944499952,44359.337878198,94563.7717875991,94750.6963040745,88129.7674050292,30145.810819964,59507.6172553175,71844.1258897781,79521.920343536,79683.7917494961,107554.485965443,61822.3051990706,97591.484068344,103201.660693287,89191.0890544742,184936.814528379,96466.8941171493,127967.785369922,94908.1754401455,131225.087007322,76979.9576562937,145607.836228451,9200.28239654249,96311.8910904172,149177.292881441,73505.2976474457,118086.738631266,61044.1471630724,38972.7464122479,75402.0572890572,20774.321884922,86186.5915827822,102223.605658941,156353.164623496,17499.8236387041,120138.501556742,94481.608987335,73314.5256272748,90454.4616115844,108408.678361049,107457.87600478,63716.99684758,55319.8194257961,98105.2896229922,135576.195026356,92384.0620874269,117085.129194724,173640.17915001,72325.6392826996,51998.1140903139,19076.1872444016,40804.1767342266,239980.597072618,46629.3812744029,55931.5368658412,32274.8875386289,60719.8989738246,160307.083382036,63024.2758338582,148890.826041181,165409.560515782,42595.2011448434,87040.5660301413,20789.018152086,131261.615853642,79595.568514453,94957.5064468272,79639.0876892403,66416.3238019985,82123.6666049376,98481.1532671844,31915.4970437303,108275.034461555,77483.5404613419,118213.832333546,73698.0280943408,59459.8736352283,36702.6807253192,47188.6509768307,78311.1821677345,80254.7266504772,131183.832362271,44763.535157282,103170.833177791,64150.0676274643,78091.9875585433,115088.996452997,42303.866352644,49344.643038665,58971.5186863288,85060.4603998913,75700.9450827492,68991.4984294072,128568.047732915,63054.1130625127,78049.9056841829,53037.8684774588,101797.952590121,70801.3465170017,75066.1561409362,91446.5640091678,95003.0831413291,85364.5580157727,74905.8040743568,55964.1809861084,64647.9938862386,86698.2841176587,87689.3104598652,79847.9220074568,79398.7645289018]
["0.78_159.0274m/z",159.027412375207,0.779383333333333,"pos","Erythronic acid","HMDB0000613","5586",null,null,"2781043","13752-84-6","JPIJQSOTBSSVTP-PWNYCUMCSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","**",56.6,0,"M+Na","C4H8O5",7.48575423845955,1.35471734869537,0.000471022234340297,0.0165155269746056,-0.517940829636552,0.698367908347519,45290.519842209,64851.9488092969,86562.7403265619,33132.6600884897,60675.1458118041,44231.2245730563,29663.1534221864,31144.5168921097,4217.82025667231,34681.6953276883,61735.1970188041,22695.7125137384,36923.8302741886,33255.7936861024,19281.3411985529,9172.2365907427,60573.574333953,57140.8755201875,83174.8396515427,79552.7849976052,45444.0905654179,43557.5429679459,75117.287115394,32174.747004581,31165.3069444686,33113.7053624092,79510.52058894,26009.435410079,55840.9147800274,23389.8906260855,47579.6751027286,58652.539133869,57639.2011080905,37344.7696048701,45380.1799293509,34383.8022935808,23788.7266950233,9130.12493507913,34815.9275301626,24060.8548366491,26213.2813078631,8315.44588897029,44531.1634850091,21714.5091548686,43374.612631235,27495.769484532,29169.9536568365,39315.2246753307,38599.9121208053,63214.7213286232,43098.6366825969,98931.8065638929,1455.15522335977,27517.7988043265,35056.3587948746,58865.5202102734,9213.52665793337,11864.9133901359,20165.1389954034,79182.9569283185,6995.88664474208,17745.3659211293,58159.0214193903,23291.0556337576,12832.2507894781,46245.2191608741,23499.0853716836,36712.2335825994,25046.0784145512,11345.9639310755,24507.8256385229,48815.7861932719,7894.80543604167,24969.0466503743,18950.6286835043,34462.9283224874,106296.06533362,25982.4013575724,43268.0438800945,36048.2399407276,50400.9917806869,38066.8428565912,50502.4902066681,66157.8441947481,53764.4639866758,766.379982032124,39807.6538922594,72644.1234425272,97639.6768409152,34385.7943863213,91410.9377680587,53352.6247266451,79867.3132941976,77864.4115093456,74571.9805086444,41839.8549978529,104884.192077975,105133.638170172,47220.9634744021,46801.973470929,74162.4073071463,73258.9749583518,63364.4351458578,45211.066009549,67591.5026188212,35547.4334452992,40568.6332612574,28827.9841753826,61270.4290722207,50617.3158844453,38175.8557845723,64160.014382944,35564.0341488959,78189.094745867,24165.2927321994,76463.6543939635,16455.0241496916,14691.3364279595,21577.1788920719,20677.9537361227,99243.0888072129,66523.1056914004,42447.9409430081,33347.6299844867,85382.7099529956,19629.0355840724,19696.2393657549,93529.3230542695,68650.4869216596,104140.996345697,59051.5147715484,72223.0119153772,60449.7567932224,67812.3450309609,24224.6528862112,63230.7691158897,46103.3431511058,58198.6358781295,23645.8082627337,23439.7752538768,100168.764051724,41733.2204712033,58398.1718733074,24873.7532699593,178081.59512329,53506.6479261354,36936.1368755994,50167.1731600244,75300.9712225644,83622.266462109,105408.14150526,170472.280482988,41773.1592892298,30743.5461242051,66594.3266939602,65344.2377358294,112981.262325923,68441.2131332041,66725.4433708457,71748.2710735031,40242.602351889,53427.13745661,76666.7908814612,76533.6741522526,23118.4373215883]
["3.84_467.1768m/z",467.17678707492,3.83925,"pos","N-(3-(3-Hydroxy-4-methoxyphenyl)propyl)-L-alpha-aspartyl-L-phenylalanine","HMDB0259626",{"$nulls":3},"22639411",null,"WJYNYVNIRKZJOZ-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",49.1,54.7,"M+Na","C23H28N2O7",-4.69360228099694,1.3467293293871,0.000197460536897925,0.00962090396491014,-1.35079146607468,0.392076895580385,4510.26823981464,11503.5297684097,7414.3809291041,5501.95747055754,4260.75814536191,3576.92245441603,5148.54476826308,1554.02528888995,1039.35870526147,4287.11941228117,590.60340829189,779.354152664409,718.160236582714,8752.3863568624,6385.75247554523,4702.40729440511,3472.09708346971,3380.53311643101,5289.21960073564,6915.08308395287,7118.89485385572,3476.57545932499,8250.28964413265,2673.28457786192,2832.58434393817,797.654090370014,9062.68546152522,6156.61013080546,18123.7008486901,5673.22185287596,1192.40401673285,10935.7764092138,632.576941470878,728.603183264554,831.258130071032,17937.7553778526,680.182000557657,2.78597719902934E-10,4162.56976026581,6783.82164664974,8201.58853386639,4083.11521313771,8172.29089684832,3035.78226591965,1243.27424220136,2.78597719902934E-10,680.417683961065,1317.80391671966,2358.68804144824,3223.02607650678,9537.42722034116,2108.70681291267,171.766491687354,3536.8562838259,3375.4594844886,3991.47925655811,10307.4056389318,3306.91622786082,21363.8387546811,8521.78758214702,7260.75665817791,1793.94177693681,5727.41652227437,8055.0245282563,5737.97720008328,2841.23818869275,2449.30050432448,528.498397116989,3060.86666512063,12012.2922382648,87.2749150773326,4696.50766400977,1503.97519720053,4462.58616622876,3603.22596945229,1527.73718755829,331.940576320842,1204.33660764737,2133.41540415683,1571.92083496216,92.2587035200027,1524.98741287388,3527.69174265984,2454.23889901783,15845.6510441461,834.22875559965,6304.44218477706,2017.85316539181,169.77212871984,1200.03418277577,1478.93302146661,2699.64718068556,3055.53573487759,4993.19755275829,8892.29911582798,848.796135788715,1255.06714373708,2326.02340895687,5676.6247071287,8688.58854570208,5538.77549507028,7144.17196849368,4091.00167737587,2907.73891230655,2676.52164105681,10776.4568116557,2359.02675315022,7111.74520049694,2869.32845009648,9774.0754896946,2579.98125394883,1204.69984607073,8032.82896829076,10617.9032659736,1083.28864258962,2.78597719902934E-10,130.785835005496,11713.4073822719,905.931290526653,1314.69796594294,7116.96960314463,2220.23668838035,2.78597719902934E-10,2038.33089012348,4780.66759354723,4162.00751692996,5071.52992726736,24476.9951606625,1487.92222505871,6550.05577954442,5957.2559421056,4807.68569426708,9405.21793237356,1241.48665433505,105503.374749484,6767.55229220241,7999.59893976732,1152.88726800013,12301.1314173156,21899.0874342185,10852.7807959393,21919.8024649915,13872.045789794,35748.7281354242,11604.8596342399,1411.38197742644,11055.4984937269,3590.67493249296,3109.71300813602,1948.58079042872,3109.6914639593,14572.24384475,38738.3779524589,3953.54490031267,830.906125144806,679.230716853628,5931.83760932986,9497.21157124812,4964.81345887118,879.370624556146,1064.17948784305,3173.56967875182,1722.42610817158,4742.34638708389,4372.3297178898]
["9.57_208.1825n",209.189779198852,9.56605,"pos","2-Cyclotetradecen-1-one","HMDB0039884","94428",null,null,"6365540","55395-12-5","RYRDADIPPFMIQM-ZRDIBKRKSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","*",48.3,44.9,"M+H-H2O, M+H","C14H24O",-1.0213258486069,1.33144288730632,1.14949342600476E-3,0.0275869048047865,-0.477387802126415,0.718276986628365,33352.4298810034,46433.9391375488,16213.9423966397,15543.2596771853,50757.3009615178,57624.0280585063,17077.8218226734,11475.0334864215,17928.6882369237,8677.40488583503,38581.32401701,22045.223617728,27284.2550507942,10579.0691045028,22903.4063036369,19230.4132139038,22999.6074190716,26312.2202501905,12842.4248056865,26507.6460377402,54078.354957884,53882.6557454159,55007.1935603101,17546.0560253159,21464.0591743856,47531.0890377031,28613.3289498286,72746.1128406033,104599.427753745,77254.6295030368,77032.2379632675,56151.1732389878,57176.1539409099,33308.8442715354,56623.7414054473,50334.5328018693,19715.6075286289,37744.9906661851,42395.9645131821,67479.848427715,16713.4502430734,25402.3554180098,79323.3014806285,40725.6409276984,75641.2213066521,17043.4748358919,16345.2713587656,19447.7861482258,42380.1389949291,68924.0988193364,19287.9906871206,30861.7588389182,38470.2855159504,105148.127219238,15575.6017327444,22966.9513855811,24248.4588669244,27331.7479633906,23965.3759478366,23882.3946849906,45349.6062099869,29464.3217961928,28108.2264205701,19300.5283177081,27134.2429450719,59972.2768549236,24983.6644630951,56510.766817955,21959.6495593998,20374.8632855659,30969.4054182141,16291.0956118453,16717.5525662533,18179.0948694463,19287.445650026,16907.1609027078,23673.4952062999,14998.3103324554,21342.448925571,15805.218959347,21033.7464985624,16671.6664604435,10420.3446087779,35339.2395997796,16677.5770601145,15192.8974317358,19832.0690287041,12589.5519680587,20849.2062513114,26419.1385966048,12497.5697197773,29994.631264681,20023.1332690229,18684.1071285329,29577.8807856434,21653.7205157138,16129.0387397284,17296.8102331689,20095.144485211,13028.446036602,20700.0851625837,26168.6677481394,23246.5739047507,20726.9260730197,26598.299365701,21807.8964540235,55163.3551990772,15294.0020619863,49022.774077412,17489.725883323,26350.5239951101,51130.0075326277,31330.3821930741,16221.3704913892,60819.3357358705,14246.1160428145,38904.7871124672,59602.5578480181,59050.5810956813,39791.098744819,63046.9280474297,22106.3648710244,68028.2585723935,34487.4283235892,25141.7056608847,31868.008912057,38468.6909194852,59891.0890486499,31137.2624896378,71719.4985652707,53335.8374642265,52629.946111269,39184.6731582256,18663.7906397727,24769.1854736184,23857.5741855462,24083.2936462262,43265.1389948705,52970.7600883405,59623.9891534857,36151.2487069503,46524.2271161207,59524.1389767899,83531.8539338634,39975.3391201644,56910.2318241365,71966.9272683915,87140.2444436281,24363.6716526323,55826.5408441742,13075.1016908178,95175.9246749489,32487.1359637508,49524.5407225837,42026.4856383779,72671.2148005414,51322.161228829,17039.9343186625,58370.0279175736,21941.5548915249,66387.2688891078,47951.116321879,37996.0837119465,49207.5504431886,28811.0610984404]
["0.73_262.1386n",263.145867805706,0.7283,"pos","Streptidine","HMDB0258506",{"$nulls":3},"201527",null,"MSXMXWJPFIDEMT-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","**",58.2,16,"M+H, M+Na, M+H-H2O","C8H18N6O4",-1.37984298100484,1.30812344712202,0.000684782597011927,0.0200088669354976,1.72189275375946,3.29868896926784,10949.1851195901,3319.25356455185,13007.5579381193,25261.1917762813,8676.86871994901,2302.32611500383,15549.4955978406,4904.15948001854,1853.06556294213,7246.81887606065,11204.6407710656,526.350925494072,157.060124313679,9684.22950980824,10798.0883383478,60228.9898203403,16943.7708169355,626.998384350754,6528.2945799838,244.160666776581,3255.25333629924,701.06812250027,9276.07726775466,38700.8776326754,14407.0921641307,15628.0315883866,1363.41593923557,7022.64616189141,1601.8193498629,57.5066159113794,7217.37633107494,10342.2488030402,620.675192026539,14352.7851746806,10407.4296617026,8039.17827141904,66.7724856048978,736.160491307209,11815.242525895,3514.90249880122,28758.6523683042,8758.95247891218,20670.4704287033,4349.23234654792,1943.24106490658,4748.77891959725,5140.66947478708,599.833395095488,414.893288448085,431.54811625288,21478.3439123585,44159.8253659151,45474.1915495201,40510.7082590146,4962.66789596596,36180.3974349009,2039.3276470756,3535.70634774255,27025.3665596018,2270.41649355767,1494.53325871417,45909.9132813887,11.5271868134603,745.194834102644,16339.3313912217,23515.4386570345,9453.81571074273,15227.3972401507,48702.5755334105,9376.63256126835,8156.94298126907,13003.8549447337,15618.7537121923,3819.99814591466,3.92396318445862,24089.0404400113,3361.60739727037,31032.1270281365,15218.2775890381,184.574847955801,11530.3747443457,291.200009688997,276.696733059225,0.717536492506245,4753.43874299477,2046.66592564807,1084.24169725008,3191.94611688113,17856.2913972418,8759.85866764142,9990.51383392956,9608.44996935973,11985.5821685428,21173.5663269193,27877.7107495326,1684.41606910083,16762.948419989,8430.23489386823,14289.1528966504,1652.50376449236,836.246606565358,2.78597719902934E-10,14574.4544098352,8126.61923111604,2015.59374881451,5593.6539049941,25981.8591097074,7432.96402756166,10616.1673035775,777.404257271184,8.19678785973606,12574.3307441949,4445.46754807772,18499.6263902989,36079.6507770293,17350.8000017432,439.553801646272,25183.0988842623,2380.61048117965,10007.9039868065,517.504483776121,405.837737192585,12569.7781357417,437.780909442559,774.561540824516,42245.129238138,7709.14897442045,17938.1195334573,11998.8760551532,1109.95698454417,6307.21454790648,1620.13307035808,1813.21360439735,2855.67757289105,1033.20130010974,8401.01255775809,3922.12901815456,1437.42953628995,10375.5219953462,76.3436152054045,137.913722721939,85.3029969661678,678.022287504027,14355.7843637907,220.952454585969,13709.9293900062,934.466134702955,699.866734519125,2257.5494976179,372.067058485777,1807.91842578316,782.954986345329,11.7111917330665,1107.26847756671,7789.303401841,167.149858338968,227.168775114152,423.538524262862,2.78597719902934E-10,229.422628672029,2.78597719902934E-10,26280.3742437915,5636.30730419855,1353.32681107169,352.539160438513]
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["6.98_238.0909m/z",238.090876248572,6.97543333333333,"pos","N-(1-Deoxy-1-fructosyl)glycine","HMDB0037848","92656",null,null,"131752250","60644-20-4","UKKRCTOBKMVJGX-STUHELBRSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","*",37.5,0,"M+H","C8H15NO7",-5.28083590316969,1.28899278037762,0.0126932219079995,0.0997196277725147,2.27720834047405,4.84739060582351,12751.0080191348,2630.48907257775,531.761603557074,562.38996545865,723.388291716195,584.188127897949,535.870320414584,603.822899960054,609.296101854882,6702.52177768681,52146.9402900126,489.306197055825,23044.7613422443,34797.9505866107,519.503060049295,66409.4777817747,40729.2519073449,596.68441317385,33979.2489037773,44952.7693990676,27455.0752997461,565.683687567606,577.561213393535,8466.21389003712,648.504963983853,707.532792586427,765.262729386234,638.966058061854,535.824887939279,689.697875289921,607.684583056732,558.65682614079,611.608724770762,650.191738922664,79643.9818083718,608.813812913116,607.618328398719,913.199266033764,1340.63808893378,34050.0017034893,63336.5643916628,628.474626059095,699.614011488424,413.162469647479,612.538573397244,481.794883025812,704.827646265351,667.797667607073,623.131122641816,615.392552131568,621.557684261893,530.013996973034,56668.834603974,12581.153166609,735.131635602025,735.835253500173,535.343176001408,633.455741854946,65141.2048583699,688.275264177237,653.610005947223,563.261334814004,637.723669684425,452.16164577914,75090.9594152807,58449.0418683109,675.762860119894,765.944614113295,757.211653999654,4348.99454899292,1695.1137626041,681.818744268663,401.891444432787,559.145036091332,674.035006578545,573.611619627767,640.137284060861,527.138516596224,504.186603578614,525.540888495354,685.141809387515,588.626752032687,391.182835632489,364.090527482073,527.656622240326,48738.5147813841,581.182815208352,495.514390102828,604.98449815816,431.604790640579,15279.274256276,2931.73895268556,60493.0714573838,44037.2876900876,55646.3828043477,45245.6560961505,518.219522853746,674.952762872183,556.145279678425,567.761919198912,810.151809240007,626.55154649934,57668.8374150849,542.082045398433,30760.5226439669,14307.5905100267,46842.5945423196,38554.445554771,732.165853895819,777.575391300124,571.851668328974,65163.7888170335,71539.5007690054,54862.1820424011,31902.1741395847,556.92908555589,630.113174022093,73067.2505737926,47017.7616009009,7408.28048027561,794.554103177975,502.471964242236,570.877615417788,497.027911061247,791.364459732883,864.864097221404,430.505061370438,676.682187061093,670.772833774127,515.953250987296,773.774558442401,847.609120520882,664.221796863487,441.264961705993,544.046697678852,65873.5403649338,738.771341074343,559.547931758519,795.682650814739,532.936474838681,557.972607655485,648.631099774284,714.851632375386,627.393366998374,652.51695605081,966.494303390082,629.585746476376,708.567601496739,752.265666339064,653.328118762717,690.591594359262,708.943507422826,775.604191708483,632.183004562963,551.581493777511,657.60320239528,880.384651935137,516.277678053345,635.310760334133,544.647373808393,504.72367802026,865.680164787986,687.121839747298,519.322182640028,574.544752525222]
["0.76_244.0688n",267.058038565907,0.762083333333333,"pos","Pseudouridine","HMDB0000767","5734",null,"C02067","15047","1445-07-4","PTJWIQPHWPFNBW-GBNDHIKLSA-N","Nucleosides, nucleotides, and analogues","Nucleoside and nucleotide analogues","Unclassified","***",63.7,65.6,"M+Na, M+H","C9H12N2O6",-2.94271011536438,1.26612154222328,0.030013011108398,0.1566904407196,0.554139808196238,1.46829291796642,63631.087641443,43336.7803268927,25231.4915671703,53787.0458683513,31780.2174283803,39970.1049189403,69489.2571247969,43310.5011606139,32607.3022065536,21975.0241901268,16575.1496418734,65035.6121344112,36237.5664598993,52466.0293895116,56861.7237463458,141708.536479701,42708.0351221956,32476.5589777263,46368.5183584525,35201.5994938394,56585.5013517233,37826.7951410028,52984.6526154997,110892.624270357,57966.1236635739,56727.9208961138,34970.0659488155,42512.6146311501,23237.7000591387,123007.264564742,38253.7705291145,46871.9182510253,45021.3337313055,33883.0706192745,101189.15839865,41155.4070110041,54313.6160941164,17191.5691741754,42744.2760959727,83023.544445616,67081.4257462029,173632.226627888,33904.7294304824,57164.4847888961,80387.1202426089,159800.344633875,35119.7560793324,54181.7326629866,70768.4911146812,41615.1556109352,55365.836285735,45801.9026031229,86866.1091140163,57279.120693424,26617.0143864461,32645.7967428074,108027.916829578,50609.8010342062,44469.6591441028,39963.4734927429,431111.643047657,65372.8794025981,33110.8649601253,21254.8386527777,134318.758059963,63265.411373503,42541.4316944622,128017.67666032,57506.5587020827,34405.2963856773,143391.16664526,35309.4807231144,52524.4678131641,179011.945825826,60364.2670081531,67070.9195277226,52352.9676035133,166539.634141028,39107.6990017291,31051.851358938,28487.9997356703,55300.3409405158,29086.1765369385,64465.7033498857,30460.9389433511,72631.6091058756,49046.7974275991,70882.4635594383,35824.198848259,207632.045339542,41883.1594158387,48900.6384592064,73201.3008159268,38694.2701171952,59203.091549491,67438.5793989956,38999.3922403599,33158.7387726366,46058.6684439646,142468.908110893,39668.0839180301,28295.1841143711,40780.8487796674,42232.6000578384,22568.7191533522,47053.1913756644,67198.2873877187,79281.7096614716,29099.2509304845,78232.0331726042,160533.434972588,59035.4382358092,83767.3660260452,34790.3032109558,40287.1454567162,64749.4734295762,208292.044153612,85893.9567253727,184290.86876059,100702.815446558,25186.0814731754,27513.3888390389,52755.5501790885,73928.7110073529,34416.5083260781,55438.0577961079,34824.8472599385,26584.6611362824,25552.2380960325,35709.2042618874,20609.9991211275,25863.312197923,53862.7508395912,43714.1226076603,92188.2933832315,63621.7017166516,31202.2870797714,25959.3935471463,50759.978982724,47757.624470703,31366.6273314999,53050.5790698561,36489.6545549798,36266.9248513319,20292.5774660885,17813.9074895579,74731.9026105558,54110.4786551832,39544.1237671086,24930.2786792587,23445.457939306,38317.6427146173,29763.9307835305,28267.7191434684,32314.9975523931,28703.1991057988,42913.3190852946,44321.4673694586,28285.2014386512,27597.1330367577,129982.736467107,48461.0168410317,32608.2050840139,34105.5932444449,63362.9238786863]
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["1.41_228.1470n",251.136203486898,1.41101666666667,"pos","N,N,N-Trimethyl-L-alanyl-L-proline betaine","HMDB0240365",{"$nulls":3},"134218393","2177265-93-7","KXONJPJIFNGMCN-IUCAKERBSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",43.3,22.2,"M+Na, M+K","C11H20N2O3",-1.79578112760271,1.25924957994507,0.00992541255560252,0.0867757197446509,0.965769597211451,1.9531051161852,24760.6898550764,12677.6022702961,8569.04090332546,36341.9061846299,12775.3159050964,17778.2798354683,21021.74828394,21258.268680076,8728.43605734219,6907.0729084614,7471.48957865913,18893.5025433612,14337.6896248665,14475.3240548998,22894.3438438123,90456.991171787,11325.3357165404,4258.52218579612,12990.733458623,5184.24129338588,18638.5210785299,7718.82760254643,9908.58486461942,36055.1585818138,27412.321401824,14033.6006529911,8645.45067156601,23946.9677103921,7843.70442234285,94149.9855501293,15615.7099646848,26646.7915057267,18740.7434384733,14938.9835805755,41977.1469068682,38416.081420902,13236.9858129853,4071.82538150999,14155.8186147016,24961.5523051896,17600.4826006448,80934.8907033746,14562.5788841159,20215.4483494843,22297.3172224924,34176.0409884497,19857.6476962504,24277.4315487153,21980.6031333794,14350.9412914912,13921.3931953394,9836.71908718139,45547.9235245504,28989.7216149529,9484.20151067979,5067.44695188682,92625.8800476819,4904.92175472727,13002.8063297114,9865.09732441852,104008.51883983,56823.461009603,5418.99921172413,9699.0722419631,86599.6043771392,16859.4525763644,11961.2070320744,30520.5079769417,31446.5873782,21177.9128237711,78576.4164118943,6395.7834533147,30806.5411326447,23052.6005565117,49614.6965219126,13246.7362264767,13588.0042883963,164041.332966291,16592.8542834561,16471.2929316887,9225.87766774096,15776.8910108479,14104.4169854755,68794.1839408901,25261.0909393347,32495.4012633432,14945.017315826,13919.2104864901,17348.708860574,139448.190913611,11233.9226454621,13077.5963589111,32820.6300189771,11176.9535196807,17430.0013141335,14642.4069100807,7548.36538872728,9657.5180462281,17520.5592376832,49212.1693101545,6824.60316131533,12172.8966737209,9932.61794411219,10622.813174346,9941.22832244081,14584.793826939,20104.0706682386,11393.5076766033,19849.1592877257,19578.2975218226,26536.4969336022,30865.0302779677,22262.0086195279,15171.2270730609,13907.4590669688,20171.998753893,70985.2549543123,32845.3905780976,22898.5004474482,66412.0808559962,14131.3398546513,18301.3793967499,19440.4864000898,16195.1506963252,4638.17411351707,10396.3137977643,5212.06453584215,12789.4090084721,11661.2465414722,10767.3049255979,9085.63720853203,6388.54703043393,6482.10757047317,6502.97226869248,8261.80989855386,23867.9934713887,18094.9730999676,6037.49302737789,33906.9881060844,6934.8484801562,7371.24807442945,20831.7969907262,15932.8119746047,10052.5043604774,16116.8820322201,8542.36012266261,16077.2141634414,6267.65432495397,1991.95778990449,1732.52678025245,9193.49107175368,6416.86477452955,12924.2702755473,9803.93230064135,7368.30820542125,5915.50800155828,12064.7376320296,12054.9710891372,6209.09982968786,10297.8793083168,65981.14741051,14270.8345598048,7256.5930536974,8754.75319638702,14842.3416743807]
["14.43_299.1381m/z",299.138081192717,14.434,"pos","indoprofen","HMDB0253478","313404",null,null,"3718","31842-01-0","RJMIEHBSYVWVIN-UHFFFAOYSA-N","Phenylpropanoids and polyketides","Phenylpropanoic acids","Unclassified","*",48,47.5,"M+NH4","C17H15NO3",-3.33569722230787,1.25836526816551,0.0269973133615375,0.147334693885822,0.805229541998855,1.74742379600749,34513.5513387198,19751.1052656925,48471.061603476,95891.7871401651,14724.4375600583,29318.1654881647,4006.00806057537,105467.826941309,29186.0602700304,16829.9411111895,2275.60781574083,59945.1300183898,74194.3493869269,49980.7142988494,44499.4631302902,21116.1738617183,51855.308027818,53661.2286244075,71094.3142828214,20494.0197937851,25429.3451312565,45395.1299274565,16487.8866558092,52272.4253203251,27698.9996792563,115436.161301544,70317.4950601561,19985.7126859102,1558.63129280345,41112.420757794,36986.8108629176,38271.0160302643,11900.7736539052,10178.1478815922,4627.98874531662,90475.9133225831,3186.76633415003,18110.7267033626,166686.569559021,35588.7872933909,84800.0827721467,54854.7380534161,24167.6605044827,50777.9968683448,16771.9930629353,16798.7570904863,44051.3354085188,43525.9919059748,36713.501637397,45915.4597947169,26473.794728662,51957.0884500256,113507.542905669,42283.9540358369,4501.859967509,121402.641630042,10505.5356374758,35352.1658228628,9324.47264938049,3732.76289010875,17370.857830952,1810.30678687769,24033.8065278689,104889.579795835,29348.7077534015,6318.04290395069,60711.5369346111,90993.0303166806,30167.8634259038,136053.703802623,178805.610671373,60572.0927582372,105194.579177716,95328.8893692556,24353.7495755394,18616.7928557599,17539.5499726396,93201.060280273,15727.5624917625,58708.2657785493,1894.63761726748,30589.2658422261,4641.3129957889,40126.1593239634,4395.29027287284,730.422088478233,1681.71636085807,16069.4781521892,13865.3076794083,7483.04242856517,12156.3265775642,5440.80873602288,1779.10286560428,7729.30458000713,3310.77040450114,7026.07683536368,10769.6029960706,25188.4387988534,7406.45610167845,29760.2520397168,2027.66641592913,13943.8821479655,6717.07911336243,4885.68634554289,1363.14511963272,6790.8114547977,71764.1435178141,114466.029382661,275.985421387296,14479.7498659012,5079.54567901231,8886.25674572813,16407.1510747951,8182.71338653791,2528.56697422124,5448.3750982241,21439.4091181945,6146.41537170568,14499.6667893114,7504.40183619408,47709.7465279349,50311.9011556857,25663.3096953437,16867.5459260259,1335.29785529252,12107.8230718813,2722.16502280014,11533.9340987732,46070.1497960562,2480.84582178012,36043.3593496887,37150.9117160651,6175.37923390749,2878.78936414323,2447.57330081686,24354.7029504763,16956.5185296184,23490.3214907642,15071.6340180857,3440.62037369671,43809.6993805856,36890.424995885,115840.391943877,451.20792252565,48871.6137044003,17681.5749379498,16816.8497023785,12731.773037402,8804.51480216902,241.52904334879,15499.0265442387,74865.8621143097,21976.4881949119,5585.63881237959,19734.0713339833,11700.5289470498,15596.6621640515,3295.8423219482,15588.579153178,26146.4370876838,5334.83540762603,27411.7853349714,3271.73047835086,6787.61303878251,2036.25410235614]
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["4.80_351.1579n",352.165160256569,4.80473333333333,"pos","Phenylalanyltryptophan","HMDB0029006","85904",null,null,"134906","24587-41-5","JMCOUWKXLXDERB-WMZOPIPTSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",67.6,93.5,"M+H, M+Na","C20H21N3O3",-1.16107747110144,1.21224232070635,0.000320363106956576,0.0129402911145623,-0.963970250035412,0.5126441901245,13728.4869254961,26779.7571687333,21531.3003674911,3783.56337770449,25259.6748238559,32429.4853917403,9512.53212632607,9598.92907772966,820.336440197856,1443.71873094328,9118.7829020916,5140.51602510543,4425.03971633272,6627.26716470537,1387.90485583578,534.948077125197,37739.0566061208,35245.5515312032,11912.0099930923,13913.3677251241,14296.5364114301,15918.3754390579,2342.89492719137,6024.01855032845,4835.39020918541,22289.8595753975,47817.762067437,17311.0321627609,25003.1280250513,11163.5399600583,13458.4928886265,14780.4656897903,14913.0678239794,3146.42852198544,12433.7893118198,9595.56012363998,5370.66524447553,3923.21010119141,6722.33699890158,5752.78438653042,11068.5240848048,4806.9038138937,11852.6743409708,28713.8912744372,32766.7423975367,329.778204559425,10422.7918843898,21631.38422484,29686.5450188428,21303.5873751726,29391.4538346432,7915.10428034229,2143.99713492366,5299.19772535848,101809.644816005,21025.1761190355,6442.97751922527,709.536099751508,13213.4946278437,5072.07390072081,2407.44315908381,7680.89806135477,10401.2755196441,23787.4785185409,5192.10541051189,8953.77009247062,9668.67312781805,15752.7882955584,14350.4296935952,1205.27684307385,3920.10356936297,10701.2701992298,487.440477199124,46345.7316445587,4331.30941641254,7114.94696072222,1256.63844544944,2229.52577593687,4698.62746432288,5233.05690100445,29307.216231651,20193.833626203,6128.19172177147,6729.76961791313,26019.8293730783,4.45024921668274,10889.8883453678,6034.37823562167,3281.41749553389,6396.17864983717,15527.5142044742,19102.8618932341,30884.2353651834,4073.98566563948,5911.17082435693,7201.34306614186,16339.0896501579,23923.868255181,11561.9110455681,5275.06288143414,19792.9703100369,15476.5733123104,670.20145590826,212.501238787896,77969.3528906713,5012.22547744155,6508.08125411665,3768.93355513725,13886.4867305851,24797.5097163242,11754.3180757466,1815.04698566561,5485.19375738209,19733.4262646004,30272.0686514712,92.3947007718718,3062.12729834539,22346.5713549257,665.722690337811,2975.19817156893,8616.90023794454,22701.4862637786,4498.37828194969,28243.5777044652,51124.1745022345,1765.28437812845,4845.96630349999,19038.7119760905,25363.2231819332,9472.56845098808,14652.1439551614,34450.1931839038,45524.25505225,5686.95467707277,4222.9947776372,1018.68308102827,40031.1176974087,108723.61338024,9312.92608635485,753.718731894287,12064.148595943,4266.99856610855,30813.9689301379,12674.3525512663,4489.91230587475,24984.8837808265,22594.8954865275,40329.7472335823,82372.7126819655,23999.7927831066,23739.8551775553,8583.06609145449,25469.5213549351,32383.9285578068,45182.8562563532,15660.1115152427,34044.8487187688,13853.6587251846,13435.6010170679,8657.01290676713,8134.74792964581,37907.0787943056,121065.158687599,14575.929206542,7172.93522974607]
["7.83_230.0920n",275.09022590457,7.83296666666667,"neg","(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole","HMDB0029756",{"$nulls":4},"94944-70-4","CQSIXFHVGKMLGQ-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","*",37.5,0,"M-H, M+FA-H","C9H14N2O5",7.61213491766232,1.21040953399214,0.0440091836811461,0.200006596324953,1.76339151178447,3.39495278812094,12832.5951115282,3779.90384915807,1054.29994785143,874.783669161395,906.814248378866,940.813705617134,948.887221791807,940.7196696956,691.813076807638,30244.2056323306,77135.1407834443,784.30895399513,27480.5928930094,69150.2237566127,909.822517857794,44443.8801905379,24685.196875843,966.492189562827,9086.57300288497,40079.000354675,28344.9706793327,888.278780831617,1022.41091800714,1669.82560927757,832.325879691099,640.658515356427,1031.49655510021,923.162978266858,918.104959672948,903.229436216722,880.899279345388,966.560179113622,790.929256584694,721.593514011994,48420.1050976363,809.334988968031,772.457536894526,1126.24325953864,1440.73811816383,36794.8972041386,74038.9717680226,781.997803998249,775.818907434947,758.921692461121,736.240028912819,692.758938781469,981.918685090585,724.738922868018,739.321720880749,909.479274040764,902.728834875784,833.641568809317,55550.4531480778,3188.80673636978,831.564424000892,822.581245952262,688.685428846209,29.3415357527956,45848.267130313,999.813403479919,990.000300537824,815.16117343639,846.73152892118,843.295017144764,21587.0878264449,18531.7875590106,947.406952979079,1061.76536597378,750.653341567177,2358.23903271711,738.655854838645,755.014276715083,839.602471209893,719.520392322276,846.819207913398,725.591398828094,776.959764361831,838.253776306353,738.437467458592,761.531756823229,955.432276546008,832.464568707192,953.555337437624,744.820918683569,744.084840749701,56632.3769778567,882.496750153354,770.473947935933,844.015501970145,933.723024577591,64072.8444036288,5323.49521683656,44459.5891213109,71429.1410565859,30247.5086740342,101003.101144152,828.729203578832,1137.59995948258,1028.63958791716,969.578000878427,816.573270049022,901.049311689051,84370.1803045579,633.816872630265,14738.2252611917,6812.16037413667,32615.8161505464,87773.7352331592,906.623016331444,702.218153351056,767.576025015328,40122.2426290425,100376.03385133,35787.9210873595,26178.3670762481,768.91690650081,1077.88718555169,85356.0394240386,42051.4089212348,1327.40075006662,993.982050531945,933.837175399878,969.068379750091,759.443754155129,949.345342705249,730.717799511381,917.522439046567,888.672459175119,882.295652663802,893.434874173067,940.691155034848,970.133998785714,705.174580979044,831.716483902151,815.513291908523,94793.8310187068,1062.11850130526,972.443239804972,1199.46745133564,844.51208208569,1070.03405421394,1008.66327705008,994.295062980266,896.135474524444,1004.17901695867,1120.66826386421,900.570921089262,976.464265618917,1004.46650215381,869.212457768899,942.688749860449,924.42531057577,857.488203280775,993.686064927239,904.002630849602,1000.3491848701,1091.50375778986,950.498521872604,877.540342375094,697.949132501728,725.826842141464,1046.04483056092,930.907209092495,920.92959408738,803.520701180236]
["4.89_255.0872m/z",255.087189240183,4.88896666666667,"neg","5,6-Dihydro-4-methoxy-2H-pyran-2-one","HMDB0033517","89329",null,null,"15086343","83920-64-3","MEZHTUKDGVTUCD-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrans","Pyranones and derivatives","***",56.6,50,"2M-H","C6H8O3",-0.869046908913924,1.20961550203536,0.00738058232575594,0.0750908017984372,-0.612101559643758,0.65424297816116,42799.0480323107,65417.6650892048,81770.32755123,53960.5708549827,54347.3873351598,69619.3449525207,51515.5715529868,3632.04873821302,51739.8359465669,38009.4687385362,73777.7465324781,59825.7653735344,9271.65914451069,23962.1411445812,57313.3340440677,13828.2190401189,1671.30806909587,58894.6830897518,25401.2087648784,14729.0527804684,23050.6064122025,83193.2362058705,89026.8866145627,78704.7114223584,67525.0082529767,86199.3678859676,58430.70262879,59556.7043210374,108284.097842595,17789.1543259872,104329.639509693,15048.1330463148,15727.938875393,222807.360144271,1179.19703231807,8790.12331426916,41046.2310548368,14957.9922239967,25797.2519658182,39637.5692316671,14049.7577257379,22610.073219877,7568.56792775537,153914.459011904,149776.6826243,12214.4466543842,13553.146807173,32555.4977204657,24996.1598389398,69226.7301696134,45013.9015692232,42050.5601742275,4479.29101367427,11449.7437350579,27233.1270515193,23566.6697171547,53812.3551687097,17603.9614358316,28458.707896451,12916.1992144982,3643.80430736174,51591.9730191833,15516.6564789566,27193.2869382015,15432.5046848311,19450.3061367677,94521.5046669365,37277.8759647275,33741.1251928007,43047.2125119799,43736.1897828854,34065.0082697132,18964.446011421,9853.4002995741,65389.2529802065,17587.1516840801,19954.2007255816,15702.2761873251,37374.7757194783,32972.5236027942,128827.941801267,65035.4405889036,11617.2004901222,51768.7779273358,33839.7183814481,106178.452650281,52947.1222956033,55936.2907540481,8936.51505941897,7510.9462600053,62019.7182158059,154248.582258285,34660.3159991522,30005.6677755515,88364.2812159208,110363.089900026,40533.7826208141,43235.3455913728,16776.7211800075,20288.2528211247,12134.4835914655,2290.03510766516,2784.84231739323,117256.082696164,11209.6004959413,26489.3713594879,16069.716624122,11255.5690578689,46980.3783676631,11897.3884984072,1886.3652661015,9108.24647226302,25748.4770313384,51706.5093297697,52099.9532942686,39837.737538643,5158.52095616614,33940.5244188047,17590.8732469974,14549.1626941612,17102.5797328222,96842.2606325833,159663.19961243,26248.2848018797,8776.27470996525,10903.5304067624,75433.5460800906,53727.7228432492,43506.2568692746,50524.8784270026,64874.9686047019,14767.6395225322,90066.624294897,11017.6020717997,20544.3271430798,17781.6790486609,40279.4351298392,30434.3848065982,34284.2293829226,1559.366660047,38878.7180569423,23672.34194914,1354.37005582142,145973.561739308,223103.950668342,113530.033986122,173759.360815418,41521.1973593449,96711.6939409382,3935.39683349294,78120.4894096503,123470.400250913,149591.689950693,27064.65098439,65294.386756016,65939.5313957694,175566.431334329,20515.2373109938,43391.5662885662,94996.2118437708,35356.3682346112,79554.5484344124,19923.49777221,42190.0631513878,29399.6008833301]
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["10.17_423.3341n",424.341371053059,10.1692166666667,"pos","(6Z,9Z)-Octadeca-6,9-dienoylcarnitine","HMDB0241540",{"$nulls":5},"GPGDVZHVXYLOKV-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",68.1,62.6,"M+H, M+Na","C25H45NO4",-1.80543868479773,3.51203248806058,3.33035948572187e-10,8.87474195755164e-09,-0.656593620933851,0.634374365389356,138437.505855911,218226.828524105,176009.364246073,69841.7595878243,127002.123447858,161182.189585328,101340.276329924,217988.84007133,88118.4532324326,155307.03495437,205200.423261775,109233.092473103,143948.961860782,40338.5938604737,118775.190142961,79184.4613833446,123625.218857785,142892.138221744,104782.897900166,106787.466104545,128754.886980481,52625.0270507643,160929.858573378,182417.858488476,89188.7066208295,291434.246080718,157056.529760236,145614.99688585,165976.554258139,188991.789511431,137942.30451876,165500.57820641,177571.639958466,147670.997308135,92017.0298531276,112837.016997332,74567.0657258664,88549.118904941,69944.7035143005,110210.026870622,107678.461934304,104258.219143587,53733.6214829915,111314.066635835,206559.16991481,149647.656756742,212950.628668867,293139.198278687,180791.693176772,171082.104237029,100003.517519958,150291.486990641,315455.929224193,56140.6524033451,178153.39669507,130397.045586292,77163.8423118956,120883.98082629,157673.012116627,161025.875456031,69993.0505010999,56072.964792782,335428.204323349,127441.344649832,156687.11310575,69223.8975238506,122576.02547576,99306.8702777182,153949.55327085,112948.767873172,188520.086074345,60870.0250311211,9179.37923780838,243761.327279215,176144.367452933,138939.74982113,84791.4095052321,87676.1430450744,114490.051435233,162905.232305125,109156.737834876,196608.643017822,134368.528303519,127789.98180169,66430.1929999521,132270.703695739,126286.457763978,143317.281716413,141638.999851408,146815.256466493,84981.8283580776,139682.136894148,197322.66037754,108026.402992623,126347.435171926,139324.132720728,182877.419511539,126688.77882517,86505.2428059579,87385.5505016721,111982.514764561,201394.329637605,47111.7163529569,55194.3477028038,319280.918796426,204183.504400192,65130.8174825393,56400.2897747691,104961.022931496,159456.535702833,179047.959172206,410953.626092515,85551.3945848951,86877.5065086212,164384.272057806,65113.9129956562,278645.187538081,160564.369367021,245860.218815535,28824.9062591114,153773.263604493,182005.746357784,176562.606728571,111922.662560888,213350.29821036,38131.1187877654,125846.391929129,147524.213678744,179577.272849579,82646.748429997,124453.053729688,205730.117921124,206839.892549353,229207.996582714,225751.824965938,243984.800442527,233442.047565059,303712.003627042,193787.074510739,193143.718534293,303981.766063037,224426.803867954,203211.905709752,162681.78472494,190223.038446399,188195.166502664,218969.616838153,196770.508075628,231804.804721461,201990.948803434,246585.167599568,176258.500663509,209995.591866663,168992.950370329,233997.177978891,290042.496006461,221463.164553669,207368.835798861,196335.470378277,212751.199461689,312250.535099364,263247.768179491,203750.687935031,156261.63376591,150058.45910668]
["3.94_246.1365n",269.125750052552,3.94063333333333,"pos","Lenticin","HMDB0061115",null,null,"C09213","442106","487-58-1","AOHCBEAZXHZMOR-ZDUSSCGKSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",66.1,48.4,"M+Na, M+K, M+H","C14H18N2O2",-1.21255088241145,3.50825838319762,8.97404812159743e-08,1.41002614589816E-6,-1.48496319652196,0.357257648542752,62105.727459487,173840.161891048,37545.5422816865,1698.72491402538,3779.14899872025,12325.8267251325,7156.33418060873,3586.00578392454,52079.9286054073,26833.4088899249,8296.71961328134,71985.4225210733,10040.7996026122,119583.678090501,239849.787425439,50910.6873977735,400449.511358322,76837.058059272,11125.1205586746,126058.732048992,5693.23915005046,23359.3372494063,2638.46055840619,28210.698491102,123883.201845193,178555.410040065,50560.9025636427,29483.6126545807,68809.1084103861,367292.631863208,192036.277790316,316923.428448726,257650.742728791,20914.3159526043,19057.0121885445,89974.1576711191,338574.803192739,22924.2313636025,15875.7812439406,51654.547458204,66775.0061341275,5233.82981029959,10711.1916809713,43215.7624607578,29996.7089888593,15475.7106192057,99137.8375853227,34608.1965688992,33809.7354969172,116325.551442944,4835.33580852193,55437.8313869126,15616.7101549735,18033.9065040324,3317.12944949422,10855.3430319602,8398.01071889308,52510.2193499513,47015.8286110737,249630.1851665,11890.8630480645,29711.2675627147,19436.2341185535,39329.3191574511,20764.9705485088,15258.1010560183,39700.8603120262,253044.314101674,12158.7322532478,13385.3601267308,4613.82016135725,27842.825971883,73256.8391603533,36960.3972797662,32293.6515843509,29552.9949811604,2057.62452168599,8998.27930969052,49220.5804143478,151716.127446767,112946.877837924,82122.4796314042,24886.6527516306,64624.6811627153,47778.9855463425,24270.1689285584,18707.8902832087,27342.681780754,19536.0579073099,102014.303139644,133211.209337153,74099.948638741,56138.7043715979,172656.358279364,22868.2640336603,16306.0408591678,77393.5039404145,52640.2286905758,1035.36870438167,1859.83249344676,52674.6246972585,93143.724707144,6138.67768662131,7662.99242707623,28977.09662724,51645.9467706054,29410.6147730433,38634.8241802503,11251.2708643965,8717.25654566719,118240.621394427,4986.15313759799,63726.6938147356,2205.4890627256,2258.03530597361,12756.2487512376,258465.236021104,33506.3013122084,4006.33250686711,52666.3628220983,72652.9550963951,80577.8581902545,86677.6970732076,230575.428820795,2263.09997360185,14093.7819975801,11023.2951728277,136015.220450429,36614.7632049835,116278.981311282,14406.6998242725,2702.51488443755,149328.21616337,153124.694063161,216193.360184591,49675.3847415498,30767.3058406591,862680.163114311,176161.068988897,323997.444260839,361651.117146234,75954.8480685438,108396.377424622,68004.8383568227,178815.255831531,68942.6640299484,24501.7515579797,117428.049550996,215510.783346894,416684.796922549,136970.665780624,242446.002755507,91707.0855134978,90719.5135839134,117440.274376158,138437.342265433,174760.665026939,116249.645984107,141802.638503484,173466.117136281,38898.5516893254,10679.2515168022,473998.889273264,64233.2506788582,127097.328726877]
["0.71_382.1080n",365.104677010404,0.711183333333333,"pos","Enterodiol sulfate","HMDB0240504",{"$nulls":5},"QFWYXPNNPTWNSP-HOTGVXAUSA-N","Lignans, neolignans and related compounds","Dibenzylbutane lignans","Dibenzylbutanediol lignans","*",39.5,11.5,"M+H-H2O, M+H","C18H22O7S",-1.72407010687653,3.36214070381168,0.0229706404786382,0.0590395088227962,2.3944571745335,5.25779238246127,346660.902817011,65932.7865385839,70771.797576343,179608.522238401,198514.089386621,119852.035419057,339740.788743089,123123.222373319,137950.993979985,85361.7073281354,99500.3171535619,884837.79080098,107862.707676921,64590.7823628334,35423.8508270866,1806326.66411717,108132.641739261,124519.889499041,119462.491236204,107975.232054012,126807.554143935,114901.899111416,139984.140922707,511309.629735565,180829.861042817,201016.794849061,88691.9242804057,115416.125673935,101213.261993931,202763.570551164,145174.245544832,85317.3235966325,126139.651892939,455367.653934585,152565.054969129,230850.630999361,122644.406907215,16684.5209693462,276458.338590518,154825.250162639,117248.423581041,241197.414196887,129029.196204804,108296.386662959,226157.278968135,73990.0019244382,139016.114070398,176055.345369038,262157.053891967,1100356.62276363,258397.84890605,219308.100956926,406575.266541966,107354.54539766,125140.674511095,196727.039042917,216297.553989216,173195.905015746,711770.129744909,357100.095219534,245145.091235779,49617.5202085734,113204.080500676,238497.999438789,299613.297417125,505035.617192042,126269.960612656,112846.713518731,217514.737760278,112576.026562626,331220.820242304,183392.762504599,75810.582641843,159069.406911656,1751128.66844016,247652.863913415,110518.461886348,5475338.65491655,178791.517214054,118192.434515879,174800.340911486,133920.089457168,97983.8591416806,237492.29923754,102807.65035127,107221.15097338,2438825.65012444,91172.2830833318,50887.651791066,4131242.20508436,213019.544194776,88491.0846703915,684273.220362165,285672.235466898,258931.935000874,263513.889373518,85639.6711848766,150680.933676109,182777.060530787,520303.637389346,144574.193546954,81585.5954511535,283304.47595898,281191.562454437,119967.595789021,101364.626375321,462823.075655739,148719.860821981,122324.771289904,512205.880768043,177331.784487068,238543.091762354,276124.076121355,207222.358610602,146154.664114652,203797.173287345,198062.342025583,3251652.78214226,245021.992861371,423898.77907677,87907.2719850473,76116.0265961884,368552.029395667,138875.019080378,69875.3371213082,323641.969004944,548613.037140322,192210.415027259,132308.990400506,699825.422587232,131490.994457619,111648.199831095,64051.4366952505,64439.6476507375,60786.0632512476,67175.7611681818,60449.2293938272,54780.9560286305,108274.72686214,61754.5846022444,48115.7923047854,42884.0283044716,103853.775407986,60189.769132073,70118.1829621166,63350.3540390264,138709.878778316,47439.4728582338,47746.3741316955,55942.6640780006,57484.7974308861,44871.3624202568,48912.7753803643,72421.3709126302,61542.3750297362,65696.1370907368,62569.113330226,62939.9025051739,49003.185271019,57060.7541976273,98780.0004037707,41092.3796338605,65560.1833812683,87180.1012007241,80604.8199360226]
["12.81_531.1782m/z",531.178217808428,12.8066,"neg","2-[[5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione","HMDB0254804","822007",null,null,"46235922",null,"CODBZFJPKJDNDT-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzazepines","Unclassified","*",38.5,0,"M+FA-H","C24H25F3N6S",-2.7470245828725,3.35119371591574,8.84752828088566e-08,1.39673538879764e-06,1.18863362186808,2.2793676174259,177051.107712283,77675.5387585211,216111.368688616,180979.379277292,224357.651242912,128186.443637516,269529.810606764,116806.492988465,503644.997611761,257419.374106588,214800.072704839,109042.868010957,107044.144793651,103377.239119027,230301.331279331,95087.2340689209,82467.5731516041,41829.0414608349,178984.036386029,170765.680796271,46443.1899248506,345226.871241576,136809.204548394,198127.529389204,159144.68211214,148923.718794271,224976.910069721,136216.284215415,307545.11274183,115048.101259747,181439.353277786,331777.497828284,285013.590043427,334719.70235532,123002.795260113,41001.8934684272,87763.1822469448,2.78597719902934E-10,121128.610753724,91162.9207489696,147361.457305433,44780.1625353588,200236.860126311,174462.462114094,218019.965054654,153342.426709889,266463.032352956,95200.2707640908,157636.473860475,169397.418074158,203138.559607201,525843.947351953,351364.522667511,145064.837419171,210252.507733911,170549.744646903,52290.6002977153,110082.302844728,244706.205483237,207883.845086197,40451.441183922,28337.8508174356,107906.284672253,127877.211221072,104839.525364118,78936.164030073,41144.5000311273,28350.5138813449,35338.1812198218,98124.7210717641,126001.174826318,168133.056015668,23064.8719795582,124418.565275271,323130.545177072,114855.724427565,189516.042492148,116513.029880872,282951.382104321,393252.054897199,125199.794283286,369756.725860174,199218.564688573,270439.174419725,169683.179522254,147300.094268295,86960.0493904435,321388.768731801,228709.767723469,404185.051045969,258833.147947579,136785.50804291,272667.94914519,223275.543192647,194811.486605237,277985.620720868,349420.405078781,280853.795385633,300082.884970812,238797.122045325,118580.762470065,186595.748693036,203687.205993386,341141.251310076,176560.723492529,77644.408716361,67279.6837955695,66635.2239319702,179340.337806569,126941.643190574,185271.09378516,278808.79108808,164289.55689374,248945.918614764,150763.034454954,407687.029237071,74337.0520472607,179336.10055712,184725.140177161,111938.443345235,280240.830467303,211247.207956332,151832.172959292,55695.3957016119,102084.694332446,27861.5206228425,125480.063437087,109769.583169958,100623.431406782,127538.641457918,190673.751262929,99306.5943362601,63361.5792835026,69909.3009230865,54760.3499869799,90206.5565675636,59384.4445273357,51845.3086255029,58976.2715967265,94277.4692644255,68493.2708172934,126375.556700575,55710.0318405557,61772.0807268994,107311.982285344,34854.5109260784,111439.199270891,40177.6086545917,54787.5731639555,22247.8500580256,75449.3672218412,66047.8955664653,80343.7381084476,53438.6209738821,65404.8019238589,95053.5038765254,105881.906563161,84341.2117071534,122227.846638616,153511.322365849,73542.0285004021,130388.296809279,98688.1778144108,68935.9045885021,64147.2111534704]
["1.47_217.1312n",218.138444187085,1.46765,"pos","Propionylcarnitine","HMDB0000824","965",null,"C03017",null,"20064-19-1","UFAHZIUFPNSHSL-MRVPVSSYSA-O","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",61,68,"M+H, M+Na, M+K","C10H19NO4",-1.10687480304117,3.28524374357056,6.60681660443395e-08,1.07878951516517e-06,1.26081160673301,2.39630510251377,176954.483371639,73844.721686738,155733.15831753,223251.169421712,157795.945571311,184587.414326052,163148.280888162,387218.520324505,92592.4700855285,193270.370917092,66901.7676763974,172502.443446254,110396.209941512,267111.477903761,151249.60780332,730599.168331469,210063.386143783,63676.5572560496,108274.78834994,51839.3519231011,121305.227126335,144749.880281828,135012.672393555,299870.525531611,248820.084969633,219611.759554861,210592.646119503,226903.586142547,150586.526831892,287173.88488141,226177.50875962,199232.73288804,113462.100832767,161644.505810197,259987.50968941,244727.068451888,155477.762802311,16663.4097526155,210903.415647693,256976.789324298,276998.023764285,118420.632679245,90979.9762937941,363405.58540161,164630.469991646,205166.384427788,250128.043343419,240919.274199697,101031.76184989,171522.234520978,117097.181894274,146802.075806722,273058.595616276,333728.279966276,107567.272486094,84023.6518683298,196067.070243725,116867.036469101,142556.655718805,79598.5673407972,23339.1138284548,279625.080896619,188391.368181438,65810.088901819,248777.671756208,178886.913902635,273419.339234585,237242.116822225,303361.047974378,217780.779081572,58808.7129333711,188070.154244832,225826.700371812,66453.1017139764,265170.666209085,287277.269994766,190373.644658632,480329.293473331,124487.484314341,142329.803870036,228109.434120277,179499.140228098,75507.9763111397,379733.406044704,230680.826523961,87676.2113444768,138098.48855933,63787.640151058,526773.452413686,354134.027259677,134297.203354493,163410.171005592,122922.38237601,134057.944659912,238030.848320504,111399.554006247,152913.64880796,148315.611145288,123961.210696584,207272.190982815,92063.1020484994,118939.067003466,111592.574944105,96949.6711285817,66088.9320894996,135801.748009486,103408.026214447,410620.695296473,117417.270744679,287540.79447476,41475.4317471828,86083.2148296959,180021.944982112,120755.291840339,113115.262735792,90697.3959744061,104819.751961835,242519.319616795,78432.1605414421,134115.956013869,118922.332396773,217279.494761084,185993.869785284,118087.221901851,62612.771531958,78196.837246578,41983.4455868082,94582.9149825793,138202.563992398,145043.979720979,208462.541918281,55255.0713129105,74168.6237045652,78133.1562588106,63826.8741231999,106010.847177767,57749.8690306408,68594.1303436608,50512.1647381458,104250.719956755,69078.1504068384,50513.3194612657,33769.8154712084,47839.180789268,71598.9541379238,43446.4526695073,116805.115908713,79926.6622177787,66030.2228073246,132732.296937489,71610.2827368101,59410.1361820592,61879.0823615708,84102.8247760099,120887.759808759,116609.819805232,99041.9071898173,66182.4534192265,52041.3735501196,75879.5852113692,65610.0337397041,46388.4585702605,63420.6820348269,49236.2081041575,89588.6520315711]
["5.12_226.1050n",249.094194271983,5.115,"pos","beta-Alanyl-L-histidine","HMDB0256117",{"$nulls":5},"CQOVPNPJLQNMDC-UHFFFAOYSA-N","Organic acids and derivatives","Peptidomimetics","Hybrid peptides","*",37.9,0,"M+Na, M+K, M+NH4","C9H14N4O3",-7.150321779499,3.27576695417381,2.48033117007156e-11,8.02134284224114e-10,-4.1991667206198,0.0544408453563332,5246.47445659336,96370.187168356,28.2728345361463,60.9043633326104,8.94202031631928,45.7209883136506,48.820886365326,40.4428455823954,39.9589963612732,18.3804964204947,68.3818023308693,94.9021898775952,24.6998093521941,84.3350189732523,22.2414892010603,105.393089374839,42.9220435841597,18.3770620059731,57.707795583602,43.6258907796787,29.596271319033,48.7578290609781,698.84698225032,226.317209807409,36.8392165938146,30.1573844001604,5.80069728678491,35.4051560641077,54.5850442444316,83.0671278566977,71.8884952461409,31.605034698941,27.2871227859046,63.4943282100459,36.6935205164322,94.6833177909544,38.1297026847138,81.6124201721992,40.8447038026254,21.7556268188554,42.2699289482161,232.308288391157,19.5644189577057,25.8013815298997,19.2382146305248,26.5064045731536,30.1904607201648,47.4545060012507,56.4689726989474,14.0974198004723,839.706519459449,27.9832778469603,177.91915845585,24.4442765059567,421.097913774303,64.8658964006259,26.347733087502,2.78597719902934E-10,15.2098238814293,43.9455088232524,58.9685656021567,45.0616858529282,32.3510854970365,29.3597733730829,2.78597719902934E-10,36.2142692770086,35.4504172392058,12.9524163760889,24.9195589403003,23.0984905925221,0.663967139749463,19.1892436520834,108.549760512885,36.4964800948931,715.221945839606,71.3350493434871,35.6468804732405,906.355217723574,43.9029387785508,57.8991708059657,613.356473662725,23.970543155126,34.3631328816009,344.841769905638,711.092694945081,45.6419768942869,37.7021928629239,28.0832707464289,58.6544249173029,24.1607929591568,47.0779817481246,29.951920004363,13.4525301217809,33.2536360711388,111.654303290791,33.9300638669458,59.6978496465365,31.9435483570094,28.8490868863509,577.585228097491,67.2700601343133,75.233479283576,56.8212380290078,494.358517157681,148.526690305748,55.0608386358576,46.3863270740474,12.5171045103571,589.579357152678,20.9776529735184,23.0704930145788,57.8250212096324,127.661078725364,49.8775324512314,42.2827947549507,36.6902158530999,24.1445192388192,78.1094013267779,97.2104577124001,411.385873874127,64.972679233155,1263.1438206427,76.3142468403165,25.2960364558581,1072.21246508359,55.6780325726975,1438.35064754066,62722.3583687011,334199.907267025,52.4744874837756,268174.991506204,431.273889411118,155523.747113143,45.8410720081586,175.918223403239,26.2009123700685,65.9962586520185,327279.056360919,69.6785978957263,254838.250147977,88.2917954621646,40.2574510167256,144954.091296022,63.9385023187729,24.822553260366,182882.375312751,289561.541311704,181775.420627572,46.0741894509257,885.607097865524,112.436546394227,117525.004635873,126361.722615751,389956.142771719,235802.836327261,265405.823054729,52.3161944200637,72.5028926682721,29.6428163946626,52.3612370798982,221210.802870428,285095.924942092,34.7085703617227,98.0171614984935,58.8250952857344]
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["7.53_316.2478m/z",316.247844524525,7.52656666666667,"pos","Decanoylcarnitine","HMDB0000651","36669","LMFA07070006","C03299","11953821","1492-27-9","LZOSYCMHQXPBFU-OAHLLOKOSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",59,94.8,"M+H","C17H33NO4",-1.23857263741577,3.00560067407308,0.000541061878079828,0.00275577540655031,-0.759010236196329,0.590901580892952,162130.398589191,274378.007830313,86348.6875078773,99246.5297244662,91950.0607392132,108363.157371669,146698.455980408,92469.2883558193,151081.762738431,27291.8290960726,53713.5482094444,230105.772597353,71093.9732297803,52250.0301982452,83370.3590103878,391731.182790039,54023.0631788584,82198.8878161971,105342.324361878,54283.1975321679,86992.0840054248,67157.8358332404,100453.691048704,527138.912318297,139897.527758069,227902.841708554,115082.228366028,170756.818770261,51936.9264345946,447383.107997205,55431.7400534742,112777.293935129,120838.972246853,187098.876333006,98154.7382264859,118655.797831844,106361.250657779,82529.9798959477,102585.52790756,176092.614853168,213131.734482,1300126.5991347,79806.5135074975,123448.133752014,231635.205569998,1132824.20430396,169469.373521838,161948.707596888,134149.440314792,93813.1803121695,59769.3787127175,53226.272144368,276839.895337263,164277.865311106,86575.482893287,81144.372541216,167699.987980094,100620.089025541,119731.871011459,107300.846332,72118.587501387,62984.8385796502,266619.372661811,161458.247998969,190606.497641593,87065.5151645841,169948.175512267,521773.81396512,191127.759409953,200528.14422749,162189.746729589,29301.766124686,51214.522118692,432947.443915444,215556.512516216,179311.773004261,144237.101825025,143705.560375279,57631.8167949479,267690.971310612,101731.295322268,130624.541100008,105867.47386096,495938.089325579,33317.4075978863,114404.088895259,225271.287540811,85207.5347976453,88431.0222774935,259383.278923052,46366.015864052,96883.540535662,90919.1416299791,32802.1416726376,125309.975246595,77390.2448538247,86939.6588904834,76211.8402767559,93610.6857133982,356738.975373848,68309.0499360805,208983.058197273,27297.3510977484,28213.1435758937,129716.401919902,198771.131089108,158563.313613993,64506.8457000991,73014.9196133743,245212.969565498,299787.23636775,284195.165646003,74354.1467075461,65293.0872590642,114307.018180026,76996.5669268627,730783.350414652,160831.86646941,316414.221630719,40228.1236883295,121560.794120559,140341.708466716,254110.626135436,160153.013785174,84427.8997055441,72488.6549898454,72140.964252326,123564.821423772,258881.101067174,63945.6935510104,49699.1348614312,44161.9991558553,179338.07472751,278650.571377536,285628.64559292,235060.500498054,391813.221605603,367611.357201096,413357.20808685,159094.341454249,156314.740586541,172166.449088435,385074.239366279,291806.42036814,337715.738222261,330631.949420876,183179.280258118,292136.760862337,172411.675950352,201469.188293982,377785.546826836,486500.179632318,134271.489660414,71133.0933079993,426594.532124732,199444.748705337,518391.098650585,268590.158322986,290083.055811649,200467.13833481,283772.42636273,338178.828507786,288668.768866549,150355.771289506,186777.059034948]
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["0.66_188.1521n",189.159410158417,0.66215,"pos","N6,N6,N6-Trimethyl-L-lysine","HMDB0001325","6161",null,"C03793","440120","19253-88-4","MXNRLFUSFKVQSK-QMMMGPOBSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",67.4,46.7,"M+H, M+Na","C9H20N2O2",-1.82917443710473,2.96030703126555,1.43300130396901E-9,3.26940229008272e-08,1.81987290289444,3.53050094491889,100968.84500554,28599.0137322735,78096.8695678349,109299.874966252,78404.7465532483,69772.3646648306,76226.457863195,66641.1554091305,52143.0325631837,46307.0465217098,27338.1919345233,105983.094380925,26282.7368178603,104833.669187586,73001.6496994121,276510.604003738,65742.3524035615,64859.2244477448,60450.5800027834,28349.899953004,76861.7259011696,42670.3281408453,109947.127867405,138669.245184767,143850.669196116,91681.0802757061,84197.4228903363,175945.739990341,39397.7060427931,139500.460037465,64550.4758986392,123747.995921023,50388.4964175536,95134.1063627954,212515.374444402,144388.743478891,102629.055603173,13481.1663143949,86447.5462840523,51612.0357472431,218059.475174606,86792.6399801665,92691.2421808781,166743.053585064,77358.5489778051,212569.403150373,64218.7365617368,172192.431168222,179664.933382609,43509.6231070142,97569.4457487499,34350.7968269464,225688.012323043,183178.364915097,52299.3247133053,56321.3329203667,88376.1506526421,31161.7048796026,164041.496960052,33189.8949309062,226475.940017133,230004.794753777,43980.4643881758,26347.1988206932,218682.617660421,113170.900827355,101252.1309973,172145.64870008,130912.573734118,81440.909733278,85111.3179039694,53605.6287562975,89308.5243580075,48353.3804460394,127751.132516907,138863.766663351,66231.7425221673,352682.124417543,51662.6216893859,70288.6352090626,97963.9872785124,90786.1991959533,40979.2614672947,98070.1063708844,81196.2207353132,51023.8533989236,60574.2385762274,70376.6130276575,62704.3278327043,203623.644819971,105297.936406145,76456.5096162936,93119.8775514307,96275.3343845589,137601.710916067,193394.256730717,45570.9437474967,58790.1494182058,81144.6377361277,206477.27214597,81718.4082846683,40169.1381976042,95347.0498549611,55000.2832355192,34809.6635917412,46974.0883014156,170717.924662827,148752.031996502,60529.024462825,140230.641284882,78405.7263982759,157266.32194087,103484.453929271,59281.5729701322,77456.4685542322,90453.1223990555,47467.3726631009,274456.2124017,291537.908549202,236132.803591323,28812.2777265719,95584.1112448249,117533.128298321,57870.5159837578,19530.2930631949,91725.017563062,25758.1426557514,69180.2974384236,57717.2148660423,90791.4660565139,98808.7225515017,24912.6454517834,26999.3783221248,15404.4452385476,34647.4320503727,25975.6410154234,27715.7516976927,25449.9681500318,55926.0946297255,29550.2686295672,28320.6111643629,24364.5503373238,19789.4190676984,32276.7367991671,14516.2470917735,23525.2926714998,33270.8928938801,29793.0234772522,22122.0631595513,34731.606734819,14813.5240524265,19476.5955905064,31883.4037120626,19350.9723979958,22030.7886812529,75515.772595696,29490.6127131103,19940.3167347062,17119.0720533912,64889.2377671658,28848.7734984041,24161.2938050572,29936.7549225792,23000.8168385088,18930.0946713494]
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["0.71_113.0587n",136.04792415079,0.711183333333333,"pos","Creatinine","HMDB0000562","8",null,"C00791","588","60-27-5","DDRJAANPRJIHGJ-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",64.5,59.1,"M+H, M+Na, M+K","C4H7N3O",-1.84317765702833,2.65155677416778,0.00235448846161294,0.00920516556999143,0.517072739938609,1.43104867093864,306277.175675485,214022.892369267,241906.145245336,299186.376507201,220929.404878165,190554.058407143,281089.225569803,175333.631848493,183333.86283929,114659.314513297,186250.073450586,305464.450108716,231675.393474404,247095.046294052,203158.031723782,516004.886927172,216922.920503317,234548.401786335,235236.589298303,202591.029573245,283008.344838595,175232.031448198,390377.43499827,529257.686164435,314442.030589286,264711.589648487,185544.142145207,216173.43051262,186271.677016604,407222.600859875,277639.584264753,238095.245377032,219361.610528371,299844.871190074,420237.405075594,351643.258450384,225778.167600742,162690.895967174,168110.223512281,146503.308566318,243915.056659833,575281.563161567,214047.492768807,174682.211270341,404878.528735827,583921.438202103,237667.155899881,266542.888957687,468330.8214299,208146.716806586,277726.400099976,418307.322182802,383328.301151753,291094.975247482,196148.590648832,176890.861522422,382933.457005044,171200.902352797,233882.050022746,228552.20554554,1454049.93494212,394616.270423908,151531.471731797,192581.698547704,425858.972686918,424888.242274814,236005.506118288,485291.695663994,355255.500503584,171091.876838528,389243.274619995,300751.679106488,260789.569301794,193846.214887819,238867.188514309,345445.174812518,282468.757508694,885184.851206404,257269.37820227,182206.325367714,213213.835966548,228492.855384591,193309.630425878,391558.982616354,246812.483674565,234398.927188038,257414.076366526,289976.969804839,265103.613546282,1041161.07405168,341474.656476226,262951.958414845,333228.029973195,334113.298303848,388333.036249593,352042.381618595,274981.257067741,244348.359413096,285407.544173454,398391.865222655,228860.833341276,188081.660314431,327220.191265969,139945.767079192,170798.911860759,205643.471336855,348733.232652686,234404.652554037,175963.047042079,384366.243120161,270247.503153731,229461.941858484,340819.315977782,293058.087039144,273338.217695889,416498.558190278,579140.79777694,357488.986941332,474095.2331857,498530.523120305,206014.096306636,214565.572082556,326037.72736865,320026.746981308,191572.254341531,703786.657747136,160667.986912958,496093.959275905,305401.44796375,303239.688222875,207427.198688689,154980.585840925,241059.29600003,226403.865010341,222854.165091489,190821.388276448,206434.123157097,195104.272158439,275842.832822821,236121.147662684,242202.526046195,242093.793306442,188112.964735095,278408.129919118,211923.237105853,224891.951919496,251840.24874337,190790.12067379,140396.084097352,175639.733787753,186865.317403631,144012.382700323,184745.856607419,155244.514818302,218599.63758694,243956.304374193,242253.69351143,159431.07606617,202197.080456171,218075.571009574,256837.09878292,260761.042252751,220576.730722143,227652.654256933,200606.607123114]
["3.37_213.0821n",214.089368213516,3.37238333333333,"pos","2-(4-Methyl-5-thiazolyl)ethyl butanoate","HMDB0032418","88442",null,null,"3023838","94159-31-6","GDRZNYCKSKHESZ-UHFFFAOYSA-N","Organoheterocyclic compounds","Azoles","Thiazoles","*",40,3.1,"M+H, M+Na, M+K","C10H15NO2S",-1.21053411660399,2.63789261834166,2.04233591372838E-4,1.2019471605352E-3,4.24685609043549,18.9858948153753,77371.2383613457,4075.19577632383,24853.4459735407,2407.88416203761,4008.6338114105,5230.76690210489,2572.35540270793,37250.6176726935,3246.27284769874,28283.9413464105,3421.74773418776,329106.550982011,3383.14547048314,25277.3860166429,98102.9880410105,4416.99175558291,75777.5225580307,9410.94322738037,17188.9164725749,9624.75959516654,140858.90646507,2071.11451073236,75642.5790772324,88637.9010080693,5663.60671834452,66291.3650007183,12222.1942565521,2341.5248896289,25251.2329280727,3180.75231146974,3895.26858216231,2100.24286366769,81019.4336290846,4473.60081499957,77025.5510305746,42291.8294777774,3889.19632624512,4404.191470622,415806.500820047,213281.341557638,285345.605604257,251672.72668148,118885.933586635,2589.21407304737,135212.443825889,6272.90992327079,3389.623525506,102813.345521179,97869.6596053095,4906.41000650137,3151.36165622497,85544.5930703038,263815.059964652,2426.69072649218,6517.27840597089,4431.53264561364,31082.5127166549,3137.23992112464,493326.420438721,88856.454422581,10598.7471182842,67264.2877251095,2628.29119998948,2555.77932328493,165070.414402603,105512.691132003,51844.5991262474,177173.55934847,135295.059157759,2679.53331447874,125004.446030832,31576.3874961216,47011.9746377981,3081.91018208229,49880.7050175101,105486.503631711,86539.5828121456,2376.19865541416,27041.1724288968,48438.2125911293,55859.2752325898,114315.542447634,2785.94049274498,107253.988548358,26579.0974536259,83132.2402097246,68922.723363521,140180.856789827,258339.356621323,36409.6387679204,3307.39736467362,32309.8190987441,140980.818757557,10357.0839098467,126029.357130723,13422.3005927354,2479.56178857579,3395.45471001294,33445.0119536667,79243.2788975275,93474.040770598,3253.79987578417,318116.364167147,58312.9427990332,3627.46670695023,63882.9263773045,189287.240724088,552695.064522187,68801.322875984,42781.8045037278,178460.341781854,207941.038369659,664407.663676633,102364.010338301,130210.314405605,171143.838314295,4485.12000575034,12591.6575180639,140036.865357262,54644.7691289504,38305.8865354477,115174.04783343,188388.025649421,28516.6347056215,68900.4818169392,3936.25071501705,3335.43387537259,5843.54270413271,2579.28622120699,5543.65380343385,2711.40495545079,3538.72644529475,2752.16340994862,3085.20718706776,4055.94446760098,2641.67324046619,3299.33622671148,4335.23390094505,3925.50856877364,3201.38734950361,3933.91125323085,2120.93572329935,3791.29814157054,3527.92227709873,3834.33477921089,4278.30547039989,2698.10891362546,4389.35101698158,3501.388753293,3051.46831437734,12286.08587949,4150.60223701049,3091.6062930447,2843.51668602008,3259.60710439511,2700.6972466983,2745.35539227264,3372.71229718866,3093.50350813017,18656.0978329068,3232.09807328254,2306.06241206526,2941.59766081985,3647.43477645668,3731.00422480011]
["3.34_184.1210n",207.11020616059,3.33566666666667,"pos","N-(3-acetamidopropyl)pyrrolidin-2-one","HMDB0061384",{"$nulls":3},"129397","106692-36-8","OAUYENAPBFTAQT-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrrolidines","N-alkylpyrrolidines","*",40.1,12,"M+Na, M+K, M+H","C9H16N2O2",-1.04431902994496,2.61634615321266,0.000584237778438905,0.0029352881447662,0.960238558433937,1.94563159028994,211709.31558732,108812.642971001,80949.0995822405,265739.238393924,104933.989356413,167245.093514885,168710.024911232,65765.4695942085,132834.684082174,55730.8131896511,22913.385596798,100879.956580201,106984.34372353,232611.792105741,184821.204517695,612503.512930847,127452.383624041,88026.199842214,244448.045712474,120659.746287608,218525.239986816,61907.5532178146,252923.576357989,317470.544323606,179612.667938224,157258.822656172,134149.296091152,140367.698319978,75674.8847297785,397916.701195699,143832.282986797,338078.602005849,132324.742918202,126638.098398582,62663.2391526687,139762.333645888,284879.300841129,62151.0094144033,253055.415304776,197444.767411023,176441.918658594,422192.716148577,223359.198080808,131409.830893825,439218.678814647,865671.438956314,71338.1280192127,271917.915784088,282936.638881776,137605.422413048,193477.369753479,86016.446111676,379226.381019581,150921.752310714,47577.0730390468,82587.3832118933,200594.695843197,162717.05082287,158178.732938252,166009.494012439,203714.248193556,178050.590579936,164265.079346579,88261.0537969003,174998.127471164,351566.046482765,123775.240425006,427301.793126969,210629.750165861,110085.342247654,240587.142608159,130330.644073672,179325.911758756,246281.74525533,264172.398111045,160682.35974849,99451.338758848,1130606.92740926,208009.698822863,49833.6935338035,160119.287463642,126047.577732463,106233.562193423,248760.500915838,139456.745918754,288676.536321904,256858.550395602,282637.265599798,99992.5379975844,523892.791563125,148736.998696104,78599.4914161334,200347.852037996,224062.941242556,220255.823598697,192903.755800951,192158.427380239,117186.378865919,158403.822715247,746938.299280633,138760.040217042,330458.156819065,95903.8873983681,120003.806421581,87998.471914573,164911.442774266,120703.386485974,132350.219720356,86367.1613133793,127549.168330992,675846.673873874,30505.1882201148,443263.348239862,55050.8809994272,322074.675940058,405429.088081257,322914.491004381,282414.863152453,471452.11773982,444405.820340856,100554.256943874,23212.0775598047,456033.893514279,369130.495585117,107135.797890823,241774.031234327,104964.464166455,163802.965319093,73606.0092751538,480446.03330901,66049.272421314,13696.5349349489,113980.155402817,71832.5863100064,134463.021646007,83297.1653776485,138611.138087273,132231.415669416,103979.051380537,133716.139215108,156520.067419997,64176.1171963025,137870.997721976,252522.583868392,67189.3297217451,175628.27838304,100047.641322246,119215.38494936,77359.4353724207,80871.2657052718,97101.8550201225,101467.534608127,173048.07511414,91011.0085521438,120524.034210667,95219.3532975084,117034.441375892,87997.4667188302,93411.9044967983,89401.5645588434,74112.4309336712,56747.5317844006,71532.8628012854,85126.7656582359,93568.6141628083]
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["10.49_425.3498n",426.357062959419,10.4856,"pos","2-Hydroxyhexadecanoylcarnitine","HMDB0013337",{"$nulls":5},"HOAMADDCQBUDDY-JCKUYFFHSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",65.8,41.2,"M+H, M+K, M+Na","C25H47NO4",-1.69851192299353,2.57029681002528,1.48962953007589E-3,0.00632835259316851,-0.372792778115206,0.772286052637592,204739.041375584,265107.780564388,209844.251742991,138624.88571844,282902.998088484,212154.868804617,159933.880107488,321201.772503889,145846.437915656,169576.109454885,258244.610567766,180829.770592466,203156.535967128,55916.7754397474,164172.204358922,189444.994898451,115844.631698467,159911.408811621,199005.103310848,133347.390619042,153278.182020547,88597.9582267011,99899.2575665874,306861.443365788,182947.868949478,368484.88127709,231404.219027107,246463.622098097,203917.518353532,311139.155243185,115057.411578902,228350.669210709,238556.765022754,259087.813678299,93256.5495985778,203143.441465555,189953.59235165,120922.598818541,174240.868762874,166816.327482193,123067.406326203,277480.521081932,103346.477836332,138377.27609137,288415.474375582,294544.634669863,143211.801415335,310358.469839289,266831.767446381,203310.719830105,116498.219711315,220076.179975061,430821.601515777,98927.2149779361,340866.676155412,258923.347880097,146316.044673268,176611.318484097,216024.546993312,309156.844276062,133133.541281898,77016.1070670568,545498.831064222,286611.98532953,195765.946994188,106911.320602565,214777.824959097,229617.09689028,253951.940673685,154232.148892893,389108.560716436,82131.8539137841,22100.2852386316,336509.660681364,289258.919395456,224036.306416689,168743.059496838,115119.053669123,170459.083785421,301193.287572432,141807.919253898,296207.882574561,200021.650128161,278728.928904263,73015.0281961043,196786.378565901,186565.582646247,212043.686364719,211282.475542958,231056.377136373,95545.2690774533,145507.309221171,201226.79481257,121467.808103181,152334.935312485,114116.485422729,296942.893616214,193780.075879496,207041.08248912,125248.031856916,127097.256320093,191506.240055351,63076.23523731,110061.9192411,438969.766121576,438317.761062548,114436.37683139,48425.1592934557,125544.468402981,212080.457392971,304091.200008763,516061.85120266,111008.957053979,118843.135176941,138224.844182318,134537.013176237,512418.929546906,239260.872845468,409021.348425197,36378.8611943714,209666.694056705,284511.280424746,315776.867825997,191208.605107057,306105.98576605,66432.1419097103,172342.11716621,214749.292196991,362513.316026549,118477.930707854,107198.476414834,155321.290451748,183875.160160169,218867.24174147,307681.871487739,306101.379467703,176567.630717643,377082.587949974,207861.023885097,296954.465962259,284030.76999638,257247.772181344,309443.631183377,249937.139201901,252514.730683503,197652.592241036,330518.022455148,253275.035047884,279977.770011453,285921.398887343,309903.194275425,194925.170945137,180176.974186123,185794.437772203,295628.824460608,317182.453702152,378224.94938648,248127.974682685,226663.284776317,261842.989444773,509621.222111612,327667.054043422,223471.253909545,147413.286524102,166403.465142809]
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["10.61_1103.6501m/z",1103.65013036835,10.60605,"neg","Lithocholic acid glucuronide","HMDB0254126",{"$nulls":3},"53461996",null,"GIQXKAXWRLHLDD-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroidal glycosides","*",46.6,54.9,"2M-H","C30H48O9",-2.04536339875106,1.9033478289472,1.05648788195936E-3,4.7944974588646E-3,-0.276434121738697,0.825629187260114,235575.582220984,285328.554096727,291224.123030353,131650.867523441,284948.003285624,314293.329475809,243937.312622774,233412.554211517,405879.884930086,273369.974838703,378240.378555617,223637.13354663,140102.292466435,260580.547079884,313046.674536533,177358.603128344,263158.116842999,352808.73310146,210986.831375804,196719.387832176,264161.240857402,276996.171214343,245677.558478984,217633.255829887,204118.793137525,180993.568584096,308103.817194525,252287.219599793,240244.176533195,271603.804881519,291499.82122616,190355.736093655,266626.624438088,258216.937574196,272228.558014954,169286.588152659,231532.909446757,67133.9052097203,56071.2626835892,287889.773772464,63325.8222537648,111298.963069533,103638.638954391,280849.785578799,289660.770342415,130941.488022688,222517.660390226,212352.142625146,173585.799412936,238585.293513862,239163.874527066,372480.512013964,99502.7341582954,218818.0742052,324364.91266105,155968.363924279,152292.695027766,285536.023768984,285856.502698419,195858.99812285,157598.068711059,121539.227263451,226249.725000957,181066.425139313,195797.580412729,237059.685716976,223207.099143419,160716.026729351,125547.007180225,256211.518930975,212499.059084609,234064.400304794,28580.4157915438,222701.146136583,249882.051879923,160246.293972666,345330.420451677,160994.440253074,310519.877773151,249818.194852197,351353.820032892,133273.830925673,203772.100933489,199168.676702388,289900.921462825,209963.511194066,163760.486714692,289715.392508414,350969.020694692,248775.046423228,305282.982204788,286126.027158168,405864.374872519,329486.729046067,260141.971641595,176978.750139102,361597.24747083,396861.428165408,344654.972938478,266860.359784258,301101.204724503,199307.572352983,215099.685016346,350230.981269821,414676.531459623,260363.502733522,148804.724749276,63595.7896724533,304845.699079428,282731.967384193,162054.177103391,165354.709142868,121876.617520334,307475.542721512,345978.432025416,110283.80207241,221474.435725366,282335.51668234,192658.828911004,109697.179506036,237074.774197647,257300.650853075,202820.00947602,261308.152144334,284812.071478569,26692.564339679,242484.271443077,313398.617140251,287357.890706458,227349.151382252,291740.463582115,393788.329810076,286524.337615558,303345.884433929,279577.778558014,272532.105577093,330149.339463529,268042.720765758,238729.636675974,378828.598588345,372812.592205266,352459.076700826,265951.711655346,254339.764631947,277245.063896915,351224.76382627,250767.463748391,281631.183157538,329435.855938699,184465.522818921,229523.731802664,240388.356279478,286235.02021802,311837.770591435,220497.174957567,280197.96870886,230996.934867098,270585.991163459,256324.752730432,277927.396963383,283299.289226878,319895.064609771,267067.532167903,294970.014403734,368031.886242992]
["13.30_381.1738m/z",381.1738102057,13.29575,"neg","S-Japonin","HMDB0035802",{"$nulls":3},"131751866",null,"HDHDUJDLKYTRAS-VOTSOKGWSA-N","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","*",42.5,20.3,"M+FA-H","C19H28O3S",-0.917439129691966,1.88772303007483,0.0224815330376399,0.0579612898981257,0.591315527965923,1.5066199394126,365122.327303333,242345.34387331,186568.599675063,210307.548065109,149729.771530535,192141.261608209,464614.163737431,280267.10487301,1420070.39720663,169717.803235708,904712.352844318,233134.6481304,458922.382989263,96265.8154485597,973999.239240699,308456.928526713,163740.979480337,65979.9201762858,138863.769920278,344753.145460506,134199.795589918,129303.85184619,182621.845761441,698026.145014534,179890.551575214,390844.138021669,214247.845606203,452550.28233287,110461.095270266,297044.254267409,257256.448730464,242941.283322864,402523.167579223,1320671.55598529,453866.180310149,93595.4679923301,532691.617174463,79022.6277857362,217748.302064059,190082.413770579,138557.113926364,646775.757342361,350114.739960739,667743.198833241,249061.052430994,441560.813042784,259379.013411915,411797.128879383,594896.448871511,173678.24744367,673356.428403674,1644638.6200387,642664.957286366,285936.906783789,788591.811188837,435253.566158358,104705.675760778,639544.408236413,774956.697017345,236606.909732652,95005.6122406551,144877.160179703,392305.828360574,719570.837853168,173209.829681722,354825.447706112,392127.191425695,335141.24866598,434051.047142738,462793.978143821,299255.729068678,55159.7124800436,22659.2063966697,501335.163607939,924068.029473895,519464.389681843,220774.324343471,134884.614580947,234469.938401087,417772.911439243,114178.657566861,526196.403811372,415415.363202105,264336.044074758,545117.335190852,439235.796611111,282454.580774224,352840.219298433,87153.0060451301,292140.602910678,76162.3460546229,120843.729713753,538677.875444692,445467.598902722,193684.829890129,114360.733966215,1068800.03784792,369124.644225633,92673.8858707629,68274.334182322,58834.286722358,115131.121218487,67364.5639166782,120652.04953554,727182.467550314,617397.367119554,469372.295985917,87667.9524811694,148553.270919506,949791.735965943,276898.340817766,888385.531083265,130801.014594348,205257.313296567,464422.815886468,495607.033281629,73791.8367540733,876944.537274555,887098.682655485,14965.5926811931,100463.314721667,294860.638339468,280445.526487845,366175.421955498,406414.751632693,433419.869740693,114486.93440684,159402.269057092,727017.110867436,44490.8856797319,89461.1840699558,30600.4093754617,133901.841550015,202086.780620011,341915.362111371,168543.778011856,120121.814650955,161877.403921589,215508.720273739,130756.901831116,233731.564517931,143140.156513233,396742.267379529,463999.27693387,122255.104826672,99487.6262245144,319431.666663212,95040.4638140398,537605.5432992,265399.361663959,470875.707833928,402470.07341947,43653.9127603599,273755.850981556,154141.86346744,128370.384840692,181114.607441396,214534.124938262,172206.562159553,115231.439601707,412706.299963742,331226.849168491,205153.382353277,652183.490213761,88226.1638687876]
["0.63_254.9167m/z",254.916677103289,0.633666666666667,"neg","4,5-Dinitro-7,8-dithiabicyclo[4.2.0]octa-1(6),2,4-triene-2-carboxylic acid","HMDB0257945",{"$nulls":3},"18521482",null,"RJRIXRJFUIMVPU-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","*",37.1,0,"M-H2O-H","C7H2N2O6S2",-3.32037304510981,1.88337236983482,8.95846869040706e-06,8.38220764262525e-05,0.981323664691716,1.97427596551122,71139.6429769769,36033.2821853282,43447.4379548744,80223.9883816868,34234.5234822784,69888.1012377995,72784.6170574269,74984.4907068757,32055.8665575542,55146.6036017488,38572.5861251867,75612.2395352655,30403.0708724569,56100.1427098264,55374.584788497,262893.626658581,56290.532518025,34849.0984810052,60645.7116373829,50104.1999221954,44351.9441433789,59316.9106078259,66681.0715540856,139483.027541721,70965.332595673,58810.7685822309,40523.2410638439,46622.1484916804,51854.3693614886,118010.083341347,64864.4613925965,60094.5801084307,46744.5890859585,51192.8301801342,111948.288566456,39243.4950126731,56149.7452046195,14878.2149481634,90029.4565624047,49457.3913364806,94899.5675218143,165627.028524689,40830.7180931032,118688.46086465,68387.0185414711,230325.821326571,41418.0325458849,87910.8966291778,104534.104356038,49291.8514893965,42543.0856180746,41828.646000503,121731.33173661,93158.4929041404,36492.7166510966,99747.0207085004,179712.267967945,36042.6045504111,51209.9477510988,64090.4275348073,144051.751334862,168218.322271476,27343.428785273,31030.0313949422,246761.189727536,100377.245156391,57063.7658176182,81609.3188421735,49722.5197140738,125588.111070265,74892.3704959118,50513.8761406474,61808.5721741018,70953.5437828988,73343.3511010547,93708.8086477398,63899.7733898767,204300.998391075,53322.332605535,42529.8206181939,49440.0204255829,41950.2403034767,47337.8820147347,98227.4256936182,68531.6856183473,82920.3480477119,57051.911665477,59675.0800740523,69590.75470684,122838.482275877,50276.868616723,46136.3772060765,53841.0336576973,57311.3680078574,78555.7694493894,84292.759004735,43141.0197758175,39463.6941276005,37849.0989860354,153676.249676688,51146.0485558306,41967.2081290512,47819.7097296625,45520.1969858881,29938.6991427625,34057.6864430977,70055.2474630049,47205.8814195098,47655.5910337158,71815.8690707247,87389.5741905512,31195.668467543,95012.0953791741,40592.1032424497,37685.7724943469,64221.1314759811,84649.670166505,125219.38264794,98305.6494478264,132776.447050782,27746.693660213,42817.6428320983,55501.8485497211,89019.5960655881,37674.0961469206,40628.680399272,42422.4608394665,29651.568030273,51492.6761433889,68383.5666832424,44442.636901315,37691.8741973211,37712.4533513569,29437.6993104712,41189.4465291335,30565.82295508,27525.3749984039,40717.1439046354,36568.1978205203,32882.1222645575,39180.2378527148,29920.2777013199,42208.9354736976,58863.5000205828,24809.7219670392,28214.3908251853,51298.3651659186,30033.8844140678,31774.2950223992,35501.8288341524,32124.4762188601,24442.4450765809,26867.3530723435,32185.8956447979,30086.3428361209,38320.7328850655,41570.7221545934,31169.1571335376,27845.356606348,34905.3091308338,33691.5335148847,38426.4408007477,40857.8520489977,32051.2879530575,76149.708627824]
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["10.35_399.3342n",400.34145628849,10.35485,"pos","Palmitoylcarnitine","HMDB0000222","5231",null,"C02990",null,null,"XOMRRQXKHMYMOC-OAQYLSRUSA-O","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",55.4,58.7,"M+H, M+Na","C23H45NO4",-1.70050193441619,1.87557139622471,0.00256998906512554,0.00988218308447275,-0.353900206639076,0.782465904194559,127012.898647622,162323.876307894,113544.62057749,84887.1713236261,152122.076374064,215276.90790774,83182.7421240305,175783.083342411,90811.8969432236,57259.3179562901,195066.973913938,123081.247268388,104655.508680406,49677.0733332063,87913.6101832924,100458.549948729,63876.6876441564,108640.165824785,126887.423416961,64894.830184345,131346.838360693,72154.1136913532,126172.56820848,187466.24355339,93240.1497707039,171456.543221896,146622.379713054,161174.952211698,73372.5895759785,220385.710869066,103885.413823445,135448.979506718,183339.499918244,132436.232331696,102626.599657716,167695.384645499,142804.070487485,59252.580769323,83102.9291993544,143319.404119062,71255.4121312438,180372.028967775,51705.905624507,116576.528829994,267320.875904179,157846.008988514,99182.354647687,183736.125029602,173284.086986652,135205.29278761,75024.3075178876,199992.302119771,129684.875595121,80410.0973743338,272248.955856545,132264.123414261,121217.685238901,90365.5455550075,214775.225064385,119723.836070732,92463.5236923558,56145.0709276834,253987.737957115,131554.491781635,90615.7781003269,64197.1679005345,150416.945208407,160579.953459313,144870.112116552,87771.1932375445,180805.312995602,73937.2498160312,10177.2416631533,185783.055614163,158476.12008831,137678.701711951,67157.899036709,38235.1508237654,99558.7741932948,157044.99520844,143399.105017441,139236.810004498,106324.202145747,245514.459893357,67591.7987795666,92645.1706483112,139255.079744003,94504.0866287129,102090.311609909,143773.88980464,56508.680013648,121248.361778768,149408.785338102,62153.5034144755,81679.9670031599,63619.1505958331,239994.74606728,148208.42977816,139852.113085006,118431.686669066,110606.525119662,131687.238209293,25871.4395797986,47672.5895210843,185340.492243984,305769.025145408,68383.2406874943,14646.0203500802,98044.370004855,193286.749999705,143719.984709077,339210.629710255,36941.9098836346,65693.0772387647,133337.399575583,59061.5509803984,257821.989593537,266252.045191946,151006.329107708,27635.9013485157,150412.503681654,184451.838698854,204041.109831919,94938.0890376066,147194.936244293,29771.9764950139,75125.8645237141,141739.714340703,235112.149959815,53961.8511251866,85470.6208775706,143056.203334543,130577.522711285,111768.939648152,194537.847201924,212441.899412805,107313.402266698,169422.044399954,124288.12087443,192080.151371936,186723.982866734,201131.089793377,187220.816058656,139293.298177376,176709.195036644,152419.625532337,175487.151049852,180942.228550655,173065.866628208,156560.413729087,170216.366895477,115352.564220904,122746.949300632,117244.111020645,138491.656617129,175601.179908135,178329.557959903,101186.18515247,153154.218812073,151856.782459471,327517.240306095,223237.43522784,163734.774199046,116519.940455516,129515.360315059]
["1.00_132.0243n",150.05815608266,0.999866666666667,"pos","3-Methyl sulfolene","HMDB0059667","343032",null,null,"70941",null,"FAYFWMOSHFCQPG-UHFFFAOYSA-N","Organoheterocyclic compounds","Dihydrothiophenes","Unclassified","*",38.4,3.02,"M+H, M+NH4","C5H8O2S",-1.28720820583909,1.8319170291657,0.000171744566990485,1.04394370920676E-3,0.875742419964032,1.83495212141612,74009.8830971353,40333.4137350779,68944.8737778132,63340.5812553171,71346.7444688336,67331.8417619482,55325.4418268818,139621.064766324,39913.0249706745,73919.153227361,86517.1996851582,95827.4987941922,52807.9305690652,24268.6464379423,24707.4295840187,61380.3091782266,96373.9274884926,51208.2377714052,50077.8708851002,33472.0564919712,57438.2622019565,47486.427974514,83987.9897978355,78021.0054217089,100293.829560753,83565.070578833,69706.2142439379,45070.0762025314,57024.1739924647,47645.1513620118,80099.2339740206,54892.746214507,57920.0343600117,63879.5816836764,74485.3316300407,123472.364765294,56308.7235614012,19225.3838919814,330996.42603263,20084.9036334546,59904.5209172138,29805.0974291271,64176.4273597111,65984.9189119314,65200.8963743559,69589.8447766332,126838.583530998,71046.4411388363,91971.4806626248,83377.6665506742,56752.6112415978,57579.6821161166,202500.060302961,80061.1415786421,66767.4200710804,74885.6235517227,52326.4517517254,38686.6882565297,86765.2109204165,39959.0515529752,28198.862397251,63573.0741232568,83322.7873905431,39481.3821163774,142173.411559334,214427.088321298,53765.4036178919,51843.2087395365,66050.5185172723,69373.7095485514,25226.3490643435,60233.9496034436,53214.4701000043,34159.604825147,65762.15643598,100334.616063885,74122.2346767958,58689.8267470533,59287.0512700363,97058.9053177255,118257.680081496,87976.0899952384,48293.2504722585,90916.5075621811,78568.2950615137,57308.1493676026,63625.6036901506,58682.1229545167,433503.808093863,71565.4108053709,84621.987993349,77409.9722777735,97459.5497775567,82081.8714918893,72052.9657260004,56865.7491625975,76298.447861009,72218.5020704038,69299.3269196646,39269.5600455069,112966.715995479,82063.9654542883,49351.7489669423,84655.2475272612,32264.3394244687,55020.5510500792,136738.788743008,92401.773291947,59783.6688120439,83298.9729546841,51319.2560916593,43709.1814333021,45177.0783749502,38826.4495825738,142915.009349601,45793.4817235069,39434.4382204923,95977.1458891867,28808.6338673092,35091.0634401776,113664.675910548,65523.3982262671,67841.1250923013,37534.7075211438,30368.0733644601,102723.551186294,62614.7486321251,59360.0842046884,68456.6882048776,77308.6167234933,84956.5873756645,26594.9911269369,38646.4968234123,42314.4833342139,40589.4640556198,53400.7632272085,45832.6663930717,39510.6309503301,41860.1484216444,46354.7648539076,41905.2272065015,48641.7066175827,26675.7796688045,29503.6121893547,40066.0963998332,41390.5991923847,34718.4946710385,40804.8347103991,34619.7527428145,33624.5542706446,38644.512500476,36794.6585840365,39534.649010386,28567.675240996,47307.5091227021,47100.9546306346,33610.2966411169,47176.9242565949,58965.4666282931,59291.1923125902,32727.8872011613,37870.8345048522,42689.6010461988,28512.666456593,31747.7493921717]
["11.47_1159.7124m/z",1159.71238180502,11.46885,"neg","Ganglioside GM3 (d18:1/18:1(11Z))","HMDB0011929","62631",null,null,"53481205",null,"JSZYPYTXNLIPMV-MORHDKTASA-N","Lipids and lipid-like molecules","Sphingolipids","Glycosphingolipids","*",36.5,0,"M-H2O-H","C59H106N2O21",1.20002601817146,1.82984362213361,4.18512490051732e-16,3.40015879112761e-14,-1.30859433871646,0.403714038808742,13870.9075935425,34358.2493055531,18337.2126761719,739.457463800581,12590.1518926882,23550.7463537746,8803.28334608128,2876.06148513154,29555.5401719202,27396.0280881581,22089.4681441824,6503.16512139603,6308.00416303452,14135.45440024,12488.1579443241,4500.48078442203,20591.6037113745,63827.6608631225,11508.000993497,14375.6607003042,9372.12656655149,18760.3456126535,13967.4768585801,8749.74197139037,2531.42721278642,9626.27195683759,22940.2121219944,15966.7070778474,34627.5600701881,8373.10597196184,23028.5297227396,5812.74780451453,17400.6886628464,9082.84652723564,20755.4700022207,369.352464869508,4212.41900183864,1371.31713513216,296.963805088857,13179.3255960671,2.78597719902934E-10,352.974472811038,521.527016960494,14820.7144974874,24866.1804666619,656.877780631867,7127.01859051756,4472.69781615564,3960.41917574393,24414.5253330996,9963.66072930835,34416.769274738,1817.17526777728,4828.15906624726,14998.2409722186,4260.76848264919,2228.03614797818,20691.9384590996,17198.9883023923,9633.83900251011,5699.47926423424,667.969545202553,13134.5226466457,8964.57477243391,5442.90460739333,9568.82611901658,8320.16697345651,1298.54880203519,2.78597719902934E-10,5013.12562263074,15756.4877065791,8778.192070793,2.78597719902934E-10,7455.63665406509,15415.630842531,5284.34316170173,20487.8899429971,2221.65704654124,12494.2587981917,6923.75297925844,17901.1087523199,3120.06130917991,12489.4022149564,9740.13216632276,37324.0522220379,10814.2252265317,5771.28319184327,23266.1159111062,4844.71159807085,15274.6202347625,56453.4649930553,23246.6091467119,41645.1542449921,22432.8940932335,20225.5360377509,10690.4983667756,34589.7875338359,41072.5957974715,18119.3461482714,11209.2512749333,31704.8615858024,12063.6099821258,19481.9190674254,23062.297095589,43791.9813036471,11671.0596146722,2842.28883314004,2.78597719902934E-10,10497.6038039786,21728.2063223455,5838.15803329325,7817.70227615296,1854.26766753048,25105.9313975686,17447.6977933339,2.78597719902934E-10,14274.3663829344,9789.91043317708,11251.2484050542,1581.50691334705,29115.3402177492,12120.7596649964,4180.56883487732,19548.1734373856,17212.9133145077,2.78597719902934E-10,10569.3138467442,26924.2811255209,8479.23593979539,23542.8036693559,26125.7094098732,38604.167466773,37366.086550469,22558.9104676749,50785.459335593,38410.2820265023,54395.7149755936,36869.7805185876,22287.4824664795,40877.162461443,38954.689498055,61131.1153104631,16647.6258421891,29953.8095867978,31923.2996699258,45195.3733971404,24821.9610954049,33043.0991735366,41631.5493007962,22071.8575216335,25064.5064107136,20470.7611202093,29376.0575286438,52985.2659508916,26212.5225471189,35024.5654914744,28294.580616439,26433.1153660874,26844.5426641159,28799.8115024183,34373.4527900459,51866.818007995,30064.713436747,38287.4253590481,30798.8290930184]
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["2.12_504.0091m/z",504.009058072011,2.11676666666667,"neg","alpha,beta-Methylene ATP","HMDB0248246",{"$nulls":3},"3104",null,"CAWZRIXWFRFUQB-UHFFFAOYSA-N","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","*",39.5,0.108,"M-H","C11H18N5O12P3",-0.289935030598584,1.33339326963714,4.50104165639916e-14,2.23775668021875E-12,0.754789675730208,1.687385577683,31134.2889536268,18451.2001082634,29724.2243222673,34674.7219503878,29679.9527746996,23789.5672132754,25653.584648521,27395.1331147015,29959.311380451,33206.0275965417,25914.2048652192,39362.3239759666,47237.5188190346,24051.9405975796,29047.883065196,40957.8455072358,27948.7946463214,28967.0512850356,30506.0706038421,26351.9868413944,28880.1011496755,38979.79376443,35307.3298301901,33186.7601458079,27702.8924424174,21451.291680639,26431.663409072,23538.9602267986,32239.6973438165,21919.0727832019,30104.6390947665,31000.0942156459,25842.2483416694,24145.1760148461,20874.399323847,7951.66568146693,25357.9894011972,3841.25894391349,51300.5278825495,18005.6002784911,28178.4829456103,17224.0288634838,27490.2444429882,28891.7064606522,28026.4954820536,29471.5918246557,28451.0847547913,25084.9403264172,39486.4522226071,29125.3370127301,28343.2248331356,27502.5329754552,53615.3714393372,29998.988516405,28612.5760829469,35353.0827884216,26888.7831565541,55061.5659144787,38756.3245983799,23726.4943814611,19593.8140208184,28115.2554296672,42137.9427055594,37559.7928315068,39619.2655633565,52824.0057431614,23023.1281630068,20603.8587785299,27485.889149495,35303.3711920811,26009.5955853414,29189.3654461838,16917.4488941428,18976.3023678142,51065.4798375888,30901.7917014064,39892.2883967905,41159.5097242396,34950.8203194737,37562.059037941,30664.273288765,35028.7383203383,32652.7511476502,34620.3569179582,34850.9642869314,41976.4836067171,31310.0679108056,42461.278962141,35488.5709545718,36214.9889993161,31073.5613335677,37203.8575465253,29131.607249966,42161.6701123626,37324.3777277691,21776.9646253123,36563.2301573205,30805.1889473263,27702.4863368837,26042.5669598625,38924.1519432373,26153.0035751127,46694.8437117298,21198.7779250467,21439.5432225397,32397.1916669372,46057.2308153798,46667.892914516,29465.3157522396,27548.2597547841,36236.7212441271,29858.782206264,45881.8193179559,27925.9134684435,34491.0160429397,29886.1433499202,26414.4170059321,26858.9864862129,35521.2869995266,25591.8282076517,26495.5176423605,24656.6480589801,28041.732049929,19103.7762859817,22091.3160625228,50766.8807908347,28500.023237809,31930.1981132421,31308.377598881,33342.2720516938,34906.6912020257,21377.4208018485,17884.8398092358,21583.4336769935,16553.4482334078,21613.4913266219,21872.0731698233,17798.2190151244,18814.6903163872,10774.7460820618,19602.9825454147,19739.3722998333,14052.640557421,20678.5011123029,16323.5018719776,20577.8456969306,18735.8743390766,17157.3923798771,17096.0021006585,17345.6884015164,17875.4755813149,13341.9034439765,28333.9428156999,16522.0207561689,18036.2950396717,23182.1426408701,15896.1082304588,18995.1381147114,21480.3648232714,20149.1554707854,16060.4413935808,16843.0498545918,17807.1831298966,17887.7540724306,18273.8852706002]
["11.28_310.1613m/z",310.161313417095,11.2835666666667,"pos","Metixene","HMDB0014484","319349",null,null,"4167","4969-02-2","MJFJKKXQDNNUJF-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzothiopyrans","1-benzothiopyrans","*",40.3,11.3,"M+H","C20H23NS",-3.50554541246014,1.31374580429026,4.97846475236604e-13,2.04731680125078e-11,-0.815462681677643,0.568226223549529,15041.397367407,26470.790583103,16092.9476018545,4859.31126347412,15072.9459616596,22814.5086629604,11167.0550464774,8209.38393188431,19439.1469797536,26405.9933567229,17262.47360295,12558.9166740222,14943.8678789323,16640.4642503777,15235.6096825571,10032.4624151616,20354.5283325139,46900.2766719781,17082.5565730955,17140.7439580473,14301.4506833001,16847.225259797,20787.5907905551,13381.6216835643,6357.04159573025,12095.3540544472,20108.2976044173,16584.0550731942,21257.2465665853,12691.0274984668,25188.4850275908,9504.51083234391,15054.322656477,13272.4753140443,24237.8257329464,5725.78742355695,8805.71524021667,8669.83977280739,2675.85969040438,13906.6496536011,5382.84042516045,4393.97630631613,4144.50839109093,18228.138120705,24039.570510823,5797.3674806229,11239.5764390951,9093.72697455801,8417.68562917527,18230.9805222859,14760.1778443505,27189.8601921137,4763.12975563432,9472.21183941544,19645.2500117811,6912.90717368598,6065.81692317844,18970.5757701272,20529.6162834488,12400.5363588111,10624.5239427107,4256.45755511117,16660.1132275158,10402.5746742765,9605.06496844719,13372.4693144643,11818.6539750433,6661.11783784332,2815.0161506136,10440.1448884277,15540.769320775,12182.3273396161,1523.945961832,13984.8951379359,20798.4401960145,7416.92798988066,15590.4600550606,7097.45030925096,12840.8306020122,9594.97597393706,20404.1738145521,8630.85137866503,13955.7046844672,11451.9855988128,22309.0622233296,9719.36366988319,7846.43835353935,19521.2553711085,10572.8448545472,20006.6882236276,30956.3666803546,24646.9268681541,39462.4950520598,16710.1187284164,22379.0690391328,10750.4242988504,28140.2636335465,30135.083536893,14917.9433398531,14400.1995865194,26605.2126292476,19617.6791754475,16612.939739132,19953.672703645,28491.0658653978,15908.5165823434,8962.05023410547,5518.46578503133,12972.0269190534,20985.4631438059,11247.5396609677,13824.8758793547,8218.99000734593,19641.167607612,21377.6064125092,3541.26673996107,15239.8372411889,13649.0335825505,17126.3787389398,8083.26423754989,23470.7526635751,17116.4256277156,9803.20177878513,17913.1458007652,18227.3889905857,1277.68660246301,13405.2730767431,22058.4521250452,14285.9700415257,16868.3264127448,22816.988829814,37072.546620034,31086.7001725931,22083.8723001937,30156.9383061535,27238.4470458454,40135.6010717045,30382.8141396681,19002.2987371176,30313.1714237082,28575.6152972042,41212.3103118903,15036.4442414572,21060.4097466536,22498.9576581978,23658.6632666537,22928.5475255095,28525.0075398473,32783.596759005,22700.5054285,21262.6493633204,15903.2656792252,25027.7842233708,38997.4060302299,20271.4071476408,26255.4425894879,22714.7378633181,22045.0455061694,26052.8181266191,25770.7691487137,25605.839200844,39227.2336004712,23495.2886480899,27358.1543227478,24168.3468202471]
["7.16_371.1898m/z",371.189805489655,7.16358333333333,"neg","4-Dodecan-6-ylbenzenesulfonic Acid","HMDB0246414","984301",null,null,"16652",null,"GHNRTXCRBJQVGN-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Benzenesulfonic acids and derivatives","*",39.7,6.72,"M+FA-H","C18H30O3S",0.112813692104259,1.31363547923432,2.77973791798864e-19,3.08643566827339e-17,-2.94434122470163,0.129916698003092,1601.7818424879,12329.2992133296,1342.6576794933,458.166960782937,149.945907371025,1797.57896227786,2324.32437127845,450.415357991767,1502.27339345919,475.593425577216,1258.65434651544,1071.79135109157,5457.6223287159,561.498690458946,3365.53729413455,2834.18370109914,795.165780749282,6928.87498373369,1865.11958221888,822.149388300307,2935.95986221819,6555.36286350229,518.468966687296,3033.44097954811,113.003792153448,244.906650364045,1192.85893642685,3247.86703444577,526.2090883174,2002.36895173531,4278.39009861197,290.10720532649,450.627837686725,23.974517537897,174.190947257822,317.934976364481,1104.28340040868,1873.21510873785,4102.66541673678,4553.15701210686,4064.29868219828,259.624125108433,921.025156954694,1640.80044167439,1913.08415819392,650.78454232846,918.041829426852,1169.14383841137,1299.38275161602,4167.43750307128,426.184538493689,235.084596149713,1711.20803236973,1113.11238039798,916.346338536669,1000.37408510369,1072.01445712739,8.96065220231121,175.323041383049,998.414071922182,4267.38723144939,1105.7959197387,300.696763814581,5355.20046376874,452.594778929305,508.994091298471,1061.5387640843,1840.65869620987,3095.14804063173,1247.40639631455,1622.47571387298,2383.14951438364,1259.53297510268,2533.80666457211,434.729258230411,1361.87142655384,1717.71308563214,3401.24658991363,2199.90791892264,1776.98715871946,19.2503516722704,420.798570657295,3047.83305142645,4309.2218161116,1720.30309182944,1802.17988174229,3252.88102362494,3150.67261230804,101.18931733298,4845.59119691496,2084.54895575698,7388.02695159741,222.110029437009,327.817693386656,225.635140068539,482.671167310654,976.80045044353,859.579255779145,40.3098325840893,77.1082814619411,2757.91686085612,488.101450114886,415.234942940923,569.27933299519,690.174070113943,2258.54885624569,1047.99479499916,2233.23984913758,295.403468305679,497.40912002996,1350.46813482506,541.740594918261,142.989951321534,943.522139974384,476.192430153239,484.675105738429,50.7238940578241,856.34181286512,1298.35742657338,1053.69024496885,1304.87658708106,700.00227557393,1820.13040918201,7058.66590177213,1451.51744691791,519.357213054566,923.23403070612,3743.5850672838,1040.63469587774,1355.71629463956,283.381320709127,635.971301810385,14524.9933386648,13878.6314569142,6779.44965768721,27782.7274110712,1205.29236823067,6576.05029654339,11143.7915618455,12294.1679352392,7582.49459877187,33204.6911195855,2423.58618311002,5247.61986217223,1670.00138371642,43633.5362299188,1091.27972432443,1512.14921110105,667.790669915089,1671.7656492993,15566.5004671188,12801.1343746854,10855.1472159349,821.295420718465,11581.4045735352,12433.9645818319,13569.3717447548,20761.3338167129,11460.0847671613,1824.61238923608,25740.4915753929,43627.8125007539,13505.8172534109,31.1763053808486,19396.7083951376]
["8.97_367.2717n",368.279025677484,8.96701666666667,"pos","(10Z,12E)-Tetradecadienoylcarnitine","HMDB0241375",{"$nulls":5},"KBLSLAYMRWEERA-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",51.7,64.1,"M+H, M+Na","C21H37NO4",-1.38704771120141,1.30796946576838,0.0230662141567283,0.0591938053590616,-0.485012289265614,0.714490983617648,53427.5878289916,74777.1337273904,24108.5214479329,12772.6176408205,29161.0687483393,28666.7362543467,40193.4616383405,38459.7195525235,57606.9692015028,7881.86831427319,29863.4882946013,88183.2277182412,38490.8647638737,9254.74577833601,23450.8313839548,36843.728245012,32320.8551600661,23513.1780724357,19057.056157323,36208.1026724521,27719.3218425547,20686.4399837174,16693.4126613556,137976.675304,37085.9129044821,107135.52545759,64534.9037786225,61440.7068010363,19476.8888008911,191138.179564388,21657.8532202898,84334.0063001603,63420.0662524159,38406.3256604358,41942.3708898959,36655.6151442065,56046.973694287,39831.3749655968,12684.2801416037,58245.7527803745,31588.8708472976,106114.223130161,10247.419979902,51957.9211494372,72628.5792360523,36939.5119546008,24641.6925762356,114208.338815636,75304.6328153022,37674.994824982,15307.5875595463,25364.1205014391,33736.4863959604,58155.4617839299,26230.8965406565,21381.3663723819,50391.5966441106,53495.7120628622,63199.3006235825,56144.6885366944,167569.801617095,24858.1906328095,271709.624903252,100176.72163529,50420.6473992933,30186.6719300985,65024.8303904406,127936.491832388,78045.0881343018,69592.7699806394,37844.0741663329,7343.04462882936,2210.34286428847,159352.928820485,72617.4647141865,61354.4377054436,39222.2204083507,14583.4848626311,18433.3433054947,57342.7457408669,32512.7265611835,56119.3023032085,38909.6157953102,108318.416472493,10334.9232439384,74511.9556196834,67704.2197447298,49791.8166809262,21018.7861989807,56821.2799891614,10584.4229678293,38600.7614351126,55424.359059972,11559.5065066151,55951.7374344168,23835.3554158771,34310.133704822,15989.9724136344,20166.458692573,47501.8829483096,25145.7398193619,60947.5015995071,10252.969957829,6357.74671188683,39392.9398301802,137045.477746155,57919.3685474058,5828.6333099874,24912.4107640891,76022.2431226331,103123.807454837,265222.268838651,26136.9490067235,23968.344227406,29473.5932357531,14284.9060434641,353058.709506709,68314.2794106948,91137.1496432637,4748.21077810938,35557.0042660098,55485.9246913846,90200.5553100971,82372.4989961702,44313.3128683007,19629.8419521978,37444.3015508838,51579.005112438,95582.3740952561,18075.6369547763,10744.4478701222,17652.6761422791,72048.384190205,56793.7899463565,117787.084598354,45789.1457798419,107475.281907763,120148.619841844,85100.3491885389,35754.6047221083,69697.5513903292,43061.3411356699,79394.3811871594,135766.099082211,55245.8974616039,67828.6538179764,59295.9447259079,75827.6632233277,87081.9143933721,65072.0445719559,85248.1508159482,112381.299327779,41769.5661536631,34518.407326243,88488.8978411449,56368.8733619272,113872.903559711,53146.4649352613,58174.4432612929,47318.709932385,96134.7660699052,101009.111060319,84029.2274009946,61103.4372112978,54912.4035814864]
["0.71_129.0657m/z",129.065731047089,0.711183333333333,"pos","3-ureido-isobutyrate","HMDB0304156",null,null,"C05100",null,null,"PHENTZNALBMCQD-UHFFFAOYSA-N","Organic acids and derivatives","Organic carbonic acids and derivatives","Ureas","***",66.9,41.9,"M+H-H2O","C5H10N2O3",-0.84132685048687,1.30552372355073,0.00111537411800463,4.97849284093337E-3,1.15306566549364,2.22385953359157,51192.6078118296,23019.7128184408,73505.1506448732,8238.92937483287,6438.48709479285,53976.3180800862,125338.020598011,71498.5505883878,27385.6553361708,11030.2364101806,4745.05230109466,130139.988066103,17233.526967961,68363.4264136818,21397.7301442277,50511.246517954,139693.692446243,38868.4349727334,9305.42929624875,51789.9852900997,53425.1502999289,80310.4360423917,41813.4207021053,188808.821345973,45397.8680205324,86306.9750036489,45666.2392026115,28201.8438735615,39465.7329602112,44399.1787708773,38995.8105269386,88943.4980238494,28905.5586284387,9416.82990439732,172009.23177347,106880.055358928,49475.4761842423,37377.7743467624,52745.0144053045,16621.7073253572,148551.410941427,68497.0917147583,7553.03855793487,133716.991903781,19202.0948198325,132981.478494771,121592.797669968,110119.143024897,35372.9273315944,39226.3568722144,7620.68950373164,32834.7321995824,56851.4266105383,145994.026697748,33509.0961544763,8973.76535411182,33734.0289487527,34291.0104783061,50430.7102031592,21774.5627766087,18828.7396974173,17281.4665878109,12871.1904426254,19479.0866937966,336915.88940667,27829.7419589983,22223.1336271102,69741.3266787754,17269.1200721913,52096.864626109,5965.65653389487,58623.9530274316,75989.2971904982,104715.185064095,48282.6011166792,74147.1924832655,159320.200083406,78242.5624688864,7909.0872493143,65667.3432257953,19831.2771753796,48076.2610109102,16020.0958252071,53578.9589738202,10120.4675989702,8230.25672337635,49770.5016185149,38303.5314502783,153635.521475937,89806.5665150254,40613.7705394869,31427.1307127352,46911.7720771826,19500.9992408273,41470.215291252,99655.0517649495,16404.1098961181,12622.3979967348,8356.99015767875,132717.884410744,50069.030244448,13777.2055167614,29453.7346799812,6276.07621196254,6558.83315924434,30712.5268196459,29963.0423797928,65275.9246171136,12465.2685905661,54787.0159259294,54337.0200213448,33079.9278319552,96076.7326363323,8136.98648361994,30277.7128769337,5296.90652419849,26641.2780834208,25345.000647639,17254.5700740528,17795.137326959,13977.5497111699,63294.7670866084,27362.5783786686,49001.4865534552,10871.4944054109,18154.443243994,75223.6831487455,10291.0005276766,33578.5891941538,75033.955803004,34097.3443964336,12664.9302453258,40033.7389309387,12300.7078747781,27511.758112686,22008.3910784272,11786.3236519295,56312.5748519239,21963.5208473267,34064.9460934763,56237.1322842079,14437.9470409957,7108.8585694249,32128.491195769,5287.56730497309,10170.5298180311,28194.1003756921,7926.42741376911,9611.34146065328,13197.8759344808,14946.0446149056,10324.3014020384,23927.9994374025,8534.21455114978,22040.5118972542,16473.2664307143,31148.2696871384,15857.2799607816,33318.8161881795,35673.0856804629,16569.4727522552,41856.2290891682,47406.2788530978,20652.3756241211,10640.1440003927]
["9.75_299.2821n",300.289337439493,9.7535,"pos","Sphingosine","HMDB0000252",null,"LMSP01010001","C00319","5280335",null,"WWUZIQQURGPMPG-KRWOKUGFSA-N","Organic nitrogen compounds","Organonitrogen compounds","Amines","***",61.2,90.7,"M+H-H2O, M+H","C18H37NO2",-1.23102120508047,1.30294576538441,1.08782891134573e-05,9.88204849902351e-05,1.3644281827926,2.57474254856957,29320.7051013229,11387.820159966,15952.8370290052,21929.2413405322,47766.3919235865,16228.1548796195,20495.331733006,19653.8812735108,69664.6295021806,16145.7080070374,20152.3821122728,20434.4400452173,23750.7195010169,16630.0039592572,20697.2413215988,20653.6228018967,20218.475101173,19692.9343651523,44842.0669118855,30126.2875999103,14867.8207182343,23324.9738446541,44244.7929865261,18690.5464757656,25433.5260467887,28190.0515575786,26521.3265452492,14834.124225866,21838.2499505592,23358.0946620408,16370.4551474604,29810.42685718,18517.7400914704,105412.13910873,45354.5435096021,10150.6518085091,8357.65066856298,6515.33148385314,9892.38431087737,10846.4044619876,8115.39239833788,7085.0822557178,22238.1168059917,9553.0195731622,29509.0002683717,12009.8113661368,21758.6033105671,10393.8343269199,19626.5021677856,18153.0934688693,23786.0970198807,43946.2787551588,34711.3829527985,19130.5958538596,29480.6103566659,61479.1687928895,4066.01953224679,30939.1937332195,17520.0463173242,30263.8752040365,3623.0913882566,8432.24570347545,112821.821341683,14530.2822284809,34233.1606772385,48294.6913673734,8608.35046319098,7271.00856914013,10511.3738906521,24234.8735680218,137521.944109499,21196.0308201811,4547.53705905981,22751.1619708965,47180.1214919489,13626.2729334755,110519.922987047,37380.6229690474,38057.814356163,33191.7812691138,13594.8888590692,35868.2413863009,17561.6070220334,10117.3909004878,38513.135640124,16194.208890295,25009.1200542561,45859.9076448321,31802.1058749361,27652.6726475486,24363.4400934518,24838.7906568669,83679.590838058,24147.1904739085,22629.4562245492,23798.3427626631,30749.1215799016,30258.372081318,31366.7127533732,33081.2342107297,41015.943233328,44487.300828687,66324.8531961616,98199.9626337955,22306.8158309583,60856.3860817823,16633.8061141564,48108.2572448589,15500.468497883,16564.9375475111,30943.5797146884,48387.7989027151,27806.4824176737,66389.0426319223,28076.1506287159,39616.350022606,9979.48286334398,12212.8853558116,63873.0659108531,16191.4824082949,17283.2840431555,21028.5583522422,50030.068289602,10304.8592929842,35276.4267493687,6350.54306426298,17506.2795385888,28907.3814025851,25797.3242548016,24388.5421771694,18650.9325138701,31741.4633396542,8307.25769584687,10720.4993858788,11021.1011188175,14375.9534218268,16348.407856475,9858.58958249747,7969.45709778299,13139.4341528214,11961.8444809215,15041.8196176598,14348.1804275289,15031.9052270451,16424.9825895906,13737.1754737113,19082.9456759964,9095.95001551311,8432.37218877209,7291.75903521863,11650.2744753899,9410.80844418788,12001.1499700884,10561.2008842312,9043.83759581079,10228.7881001634,7831.95835620911,6359.92522367869,11342.0757290987,11966.5929927567,13041.878859198,9046.05127088124,10289.5822105224,13303.1880622814,7531.11806047737]
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["1.41_228.1470n",251.136203486898,1.41101666666667,"pos","N,N,N-Trimethyl-L-alanyl-L-proline betaine","HMDB0240365",{"$nulls":3},"134218393","2177265-93-7","KXONJPJIFNGMCN-IUCAKERBSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",43.3,22.2,"M+Na, M+K","C11H20N2O3",-1.79578112760271,1.27353114877369,2.72811705791129e-05,2.18972479997651E-4,2.2432033130867,4.73447124958682,24760.6898550764,5229.87437239951,8569.04090332546,36341.9061846299,12775.3159050964,17778.2798354683,21021.74828394,21258.268680076,8728.43605734219,6907.0729084614,7471.48957865913,18893.5025433612,14337.6896248665,14475.3240548998,22894.3438438123,90456.991171787,11325.3357165404,4258.52218579612,12990.733458623,5184.24129338588,18638.5210785299,7718.82760254643,9908.58486461942,36055.1585818138,27412.321401824,14033.6006529911,8645.45067156601,23946.9677103921,7843.70442234285,94149.9855501293,15615.7099646848,26646.7915057267,18740.7434384733,14938.9835805755,41977.1469068682,38416.081420902,13236.9858129853,4071.82538150999,14155.8186147016,24961.5523051896,17600.4826006448,80934.8907033746,14562.5788841159,20215.4483494843,22297.3172224924,34176.0409884497,19857.6476962504,24277.4315487153,21980.6031333794,14350.9412914912,13921.3931953394,9836.71908718139,45547.9235245504,28989.7216149529,9484.20151067979,5067.44695188682,92625.8800476819,4904.92175472727,13002.8063297114,9865.09732441852,104008.51883983,56823.461009603,5418.99921172413,9699.0722419631,86599.6043771392,16859.4525763644,11961.2070320744,30520.5079769417,31446.5873782,21177.9128237711,78576.4164118943,6395.7834533147,30806.5411326447,23052.6005565117,49614.6965219126,13246.7362264767,13588.0042883963,164041.332966291,16592.8542834561,16471.2929316887,9225.87766774096,15776.8910108479,14104.4169854755,68794.1839408901,25261.0909393347,32495.4012633432,14945.017315826,13919.2104864901,17348.708860574,139448.190913611,11233.9226454621,13077.5963589111,32820.6300189771,11176.9535196807,17430.0013141335,14642.4069100807,7548.36538872728,9657.5180462281,17520.5592376832,49212.1693101545,6824.60316131533,12172.8966737209,9932.61794411219,10622.813174346,9941.22832244081,14584.793826939,20104.0706682386,11393.5076766033,19849.1592877257,19578.2975218226,26536.4969336022,30865.0302779677,22262.0086195279,15171.2270730609,13907.4590669688,20171.998753893,70985.2549543123,32845.3905780976,22898.5004474482,66412.0808559962,14131.3398546513,18301.3793967499,19440.4864000898,16195.1506963252,4638.17411351707,10396.3137977643,5212.06453584215,12789.4090084721,11661.2465414722,10767.3049255979,9085.63720853203,6388.54703043393,5969.78941231811,5468.70329097549,4661.08200355737,4943.18970828931,5136.74866923375,6286.25277036157,8510.67461631013,5064.11083234177,6420.67408888885,4492.66249258694,2802.30876662206,9024.04067574438,4993.84099181211,4986.53538570265,4682.29039216195,5637.75305824317,4595.24813687132,4710.33808487238,4283.17880920579,3593.58427863818,4636.74267903736,3209.42238626962,4948.23011395432,6019.5258950979,7138.14855380898,3950.7425892892,4601.13464170913,7291.47404480368,4654.46047836411,5260.54017321329,5671.25748642721,4526.09287921544,4415.07590325622]
["8.97_356.2790m/z",356.279008310585,8.96701666666667,"pos","(11E)-Tridec-11-enoylcarnitine","HMDB0241312",{"$nulls":5},"AGSPXZUFOLSCBN-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",49.1,62.4,"M+H","C20H37NO4",-1.48278125254878,1.2673571773272,2.80516389033678E-9,5.8572245810345e-08,-0.961941827421823,0.513365472446645,13142.8393406854,25601.3309154744,8699.84418168372,9984.11293904822,13389.0410254131,7811.38681286074,16325.428407535,8670.52958392579,12135.6865964211,7012.26516876757,9449.77660794446,42096.6631330192,11482.301162691,7808.84070203766,13741.1581607052,26220.6181251766,3355.14587968863,18933.3784219541,14778.549409472,4151.14851366142,9946.5383501655,17061.5783360087,6624.01773155609,21881.8505638192,13205.1450542403,11989.0081629279,16510.2411175145,16578.0545970946,8813.71059870459,30131.9335997691,10321.0637983968,7392.69232787739,9730.14114675709,12353.990635923,11781.2508238422,7260.46562144611,14549.0213143962,7437.83462976856,8389.81808712055,10874.3338863486,9799.7811585322,17721.2084032466,4765.23052681502,11201.4716437289,17365.6244517696,10262.5480165871,5006.29605667221,15016.5207592076,11776.3736052868,8027.17887836824,8290.97194630024,11353.6252185769,7375.61944391207,13384.9439652644,8860.59516146718,6706.15427736156,17177.536062608,18526.3529224505,10418.3259256267,8185.3858766264,15006.6713672594,8987.77790265461,19068.250362185,13386.72765516,15200.6908185094,9811.97827541192,18020.8623551215,17244.5873633292,7627.90246736535,25778.4531903967,11490.9556361825,7771.00581888763,3177.48221970376,16672.2696311876,20290.3413675551,13028.592105418,16742.2534210534,24233.5728207274,16787.5484006806,14992.628278,16313.1133561556,9380.1792226156,10520.3641694799,63136.7501838739,8005.69421889828,12144.3999226876,13916.0565862192,8548.55092157818,9195.29125534764,13728.2074661024,5175.25385283158,17748.1311427743,9640.16821741789,4418.85971934898,11551.6139955007,5931.34853412204,12074.0447995281,9163.45516893756,8909.74388820006,39689.7492912275,6983.90464675769,4178.79263401248,4274.2247929067,6607.20699355769,9351.57066289663,13585.1525321556,10896.9768520628,48836.0396207947,10452.2338369183,13244.2880777064,13630.8144093131,21941.9689197287,22815.8119611628,9419.30626639741,11968.7773529547,6484.22766341856,26359.9317824751,15803.2632938177,31004.7096677967,6006.42653023134,9478.00119943802,11823.9910281807,16652.90406951,14694.5680834496,7885.63158301799,6502.42232615158,11380.782165812,13424.2774450986,11388.4287203561,6523.78946293814,5629.97856893163,4726.87425342462,18460.9926807053,31792.3470907366,23952.3429241439,26814.3607446508,19518.9147426433,16786.0951654035,61433.620765543,7161.80098774291,27295.3389859262,12956.4098478376,8207.09475869515,20737.2491258118,25963.373359272,21245.6070531242,28355.8793130063,38260.3154891906,41231.3379103361,28669.9330685818,11739.4690558494,26544.5395235364,9766.24750922205,5468.26731345282,34587.5645367599,31370.0436394016,33455.4500157559,36180.3858970923,17013.7336288795,18238.4116087257,81950.641266446,19522.0192765437,21290.4138391001,18275.9124293169,20597.8066572212]
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["7.25_307.0524m/z",307.052434229277,7.2478,"pos","Phenylalanylcysteine","HMDB0028992","24017",null,null,"10355684","129078-69-9","KNPVDQMEHSCAGX-UWVGGRQHSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",42.9,27.2,"M+K","C12H16N2O3S",4.1507534791029,1.20680232736295,5.44873040069576e-11,1.6351099968214E-9,-1.26337240452007,0.416569060252356,7369.69155094177,17691.4040290876,2505.32422982734,10977.6616281915,5421.81139736857,13681.1344028326,7892.51871201104,1084.92413583588,6296.67514762805,868.959789497332,6251.47876312812,22003.0097379636,1300.30545260726,3657.00611830334,18190.0285548276,3124.82517448075,280.389457544156,9472.00830196859,1831.23674743234,1725.8988816188,3523.82171576968,5835.89038842111,12202.413770556,12063.3557018249,4624.75539884537,11558.3722491102,4161.54929289641,9692.13849518512,9172.5300414691,3745.89381472747,14827.4934828325,2150.60822088362,1351.00171600489,20730.3822232382,707.262372522997,1348.86368123611,9195.4792342311,940.450320944944,6777.50913980566,6746.70540081008,3193.42474230369,3126.57702714561,531.434947116102,18776.0783489909,20330.0849169914,3125.43803810174,7309.21870302035,11026.8268943612,7497.49396992818,3084.37216855629,6124.24028728404,8067.30894395592,1133.56269809304,3224.67788330638,11098.775444268,1163.55217775707,31052.618131269,5797.60260984324,6437.46946915619,3397.44183384634,5886.42879096013,2804.50214479004,2414.63458177638,10869.0846602981,1020.88016560133,2594.31993877173,6526.77754972204,18849.7287328402,1546.96056686478,3489.12193944741,9126.40552830898,9067.43541581812,1127.13160925875,1863.67471087888,23174.1425524939,6326.47516375855,9170.23954652706,2595.07317633534,4269.92771689269,1629.94912326841,15642.3022583451,10637.7259918943,622.390141767285,12073.2251841574,3871.13380434409,3145.06864753356,4798.9064690778,6280.64147829064,3159.60025100504,11793.4990633034,6903.75801405835,17864.0035613382,11229.2396795508,3090.88581555797,17858.5039643876,15553.8000611913,11737.3068227519,8186.95842547826,2894.60485605501,16838.155819151,1654.17053771796,199.810009976906,659.23988472931,7754.5178340529,6887.82410176447,8401.4941400669,8726.26858487678,712.120025284117,12386.1199425918,7588.37268273434,760.51340509885,16853.0141964916,3111.40652857089,10309.373101872,8421.31985124639,4536.12837411864,6541.31368482717,18066.9144534536,27327.2703133373,8456.03076410034,1550.59426888024,13120.5334478039,18614.5194939715,9768.18827151003,417.443638279082,1511.79431387862,1523.40329218173,12658.3574794769,5206.11996815662,4954.65966361101,4671.91640061581,2754.67251362311,8836.10685270138,18955.0003920699,18440.9767082216,36792.7018204208,28234.0821227015,14345.9932611377,23282.2887864565,8096.42283743967,16983.9925203998,5454.56874380244,4488.03939610264,13613.561311972,21809.7673060291,23081.4480870303,17511.066240423,29144.2885943399,20474.0936270448,5687.69566945202,12308.6692770966,930.734660287046,2373.48029737173,181.277570210865,35784.1558500542,18772.9144586807,42471.2580666095,24229.9400785528,3409.96879964855,30199.3061420358,38513.7844948511,8884.51132530039,10608.8590468282,22140.0936475915,17775.2849670272]
["10.87_302.2240n",303.231290415753,10.8711666666667,"pos","Oxendolone","HMDB0255978",{"$nulls":3},"4620",null,"FCKLFGKATYPJPG-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Estrane steroids","***",65.4,42.9,"M+H-H2O, M+H","C20H30O2",-1.87349906139518,1.20285703727454,1.81396629925211E-3,0.00750598974261959,1.2406298169762,2.36301668650365,35836.3057581186,15165.4899276833,10235.610036215,2620.50185662548,85097.8708342201,68146.1608907141,9480.46526786725,18780.1807509562,7400.16202642537,68195.2379015699,8364.66812165429,1557.35530629219,15847.5613293131,9827.74059577364,15933.0865109418,1324.93079144553,45877.0757847436,7080.17636859589,149835.869536083,96794.8468015432,1303.33359491,33267.5090114103,52060.7583037219,25169.4110386786,714.017724197799,13367.5338204247,85692.7044210041,6084.89114727386,54731.8721227842,17952.833994936,16823.5235501307,9437.74517474093,24573.9068764275,8106.35539843107,30202.8438525738,1572.23223535435,1530.87971880208,173.581646835142,16616.8624225502,18726.9620875021,11930.8151844427,1109.79613145535,42755.3634718241,3654.41382315321,50733.7885456566,2789.01401531609,15040.4444122796,18040.4617409727,56279.2968560076,72750.537367899,14013.4912850826,126492.586215097,26796.504988823,13357.3548397457,13885.4821066833,54816.6352094341,3050.77792826925,11116.0936817327,6082.01881151352,93559.7058356183,2.78597719902934E-10,669.786557663696,72539.0630359987,2113.22340647864,4406.65161590062,7318.34107342999,453.979054223978,766.47229640887,5325.92616947944,23840.8936761232,5847.62196121839,36617.5867309907,779.811201219208,15548.0495766792,5926.69914182362,5100.90415514086,67106.1011700755,1020.70961954386,24058.3327296997,18442.7488326032,479.22147933059,46859.9206613564,28402.2049136044,10716.7147737893,65028.8719937347,35188.5677229958,11626.0548856358,39874.5347890909,162197.897064092,47053.2814403478,97621.0850228452,74223.6772256181,103917.011116239,47205.0512104123,40044.7340946804,46398.9298315666,113643.45153905,72750.5247688253,63171.0693050956,106339.068987746,56501.8745165725,64172.0622853017,91279.7357495929,119172.324864591,48337.7323385845,12834.6249172181,6369.10696922329,3177.3288243883,50522.1273275478,48258.4279732075,42246.7771774802,31262.375873519,5572.13026318324,16227.6309123509,4105.82771955124,81270.6916793651,3887.4541874152,5721.4086266033,110026.97357502,2674.41337625714,75378.6062604889,92689.2034787881,27856.6693066616,6681.17624183317,142956.575317011,417.004706867102,27566.3164657892,31915.7712894118,53261.9490141348,68585.0837220731,43135.9382925802,95265.8091673681,658.33552043098,11138.6814096924,8305.28245380621,25222.6146383032,17287.0590937471,4918.06433442026,7065.18070635658,13537.1436942982,17057.8221601805,27816.4177153329,9087.31661113349,35469.56983603,16892.7669475697,14465.957238,14751.7891086432,6728.04885014217,13208.9684085397,23470.7672659523,26297.4699776534,7676.52320063432,14778.9121349467,26269.3160705307,12697.598909523,16621.4937529955,6631.30309295563,21227.7033135308,26063.005470108,21410.4458814894,6729.60948418838,21847.9015370162,18690.6470076314,3451.10491201711,2986.3468757487]
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["3.60_266.0639n",249.060597008481,3.60183333333333,"pos","Monoglyceride citrate","HMDB0032437","88460",null,null,"3033853","36291-32-4","VQENOYXMFIFHCY-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","*",39.7,0.586,"M+H-H2O, M+Na, M+K","C9H14O9",0.388002682624857,1.13236916110216,2.96557142224531e-05,2.32198342051564E-4,-0.321336736161421,0.800327986122808,56893.4475390006,71087.6647143393,85720.8463361427,85811.311990254,52172.2519548493,65362.1281426751,43680.5668169466,70113.5482760767,54048.2959439056,72244.3919237329,51690.591155021,92039.4916023023,58532.5873842698,67008.638429792,47078.9823814064,64523.9592068985,75236.5314995324,84232.7098793246,63608.0009477282,39498.9994544407,69369.5697777413,56546.4040233797,53772.8705114426,52022.0998199019,43846.6663911132,39363.506461458,73992.2184499171,52613.8949452768,54815.464317995,42052.297302603,89340.3066560953,67782.7650012797,47652.5666834125,52378.3844363792,31287.3178792752,61743.2156273574,35967.2626970308,35337.9518070692,117694.397126224,20564.5264092461,79164.2443155868,35694.7593330767,55397.2511812869,64203.8477135778,40754.8345561535,45443.858342508,78543.1852653246,49907.9399051975,64503.1771295263,74679.2386029535,83945.6318094453,45960.8236104323,71441.4256770569,75045.9251604456,58341.8347279951,65084.3132865755,35848.8902470252,33181.0514704395,46863.7275198318,45538.2993622698,32849.8507923023,54047.7287731567,72449.4356492141,69505.8393389973,58690.3120026175,76056.6883371748,50863.5467122146,50021.3977880934,39884.4282553526,97101.6410710524,46014.5306228144,77959.1994234712,36189.4351857412,41845.060652675,67366.6459468928,54436.4840138763,74480.1787931473,62013.4197107594,63863.3328746497,49250.4688529286,75118.0020792815,54375.2408512419,58188.2322398706,57906.3353731717,57540.0457361095,38413.332233118,64374.0169250029,46682.0434354054,75844.6995516305,37651.4467021005,76402.9867092882,65818.057095232,48040.4717496863,64143.6124147521,81912.4748433694,35126.6683589329,66037.537903712,67264.7244477463,47881.586093865,47859.1625362186,48665.5970469686,42715.0147615694,28957.7026096865,46980.6335175625,35200.7173302315,39328.8260414341,73150.1591286409,48247.4460371628,63652.8941247876,50300.8235780747,52385.36751102,34249.8991826677,52419.3868806538,45715.271895042,70354.8059202551,17161.5243519447,27554.7116323472,52189.7711042719,28185.1438802155,17715.4614299339,62559.273198474,69795.37717218,60500.7044914444,41608.2134345647,39649.4912732895,46504.9335428376,61638.1423242926,48364.142948138,74140.323259293,58215.713920403,71702.0860887066,124576.53950891,88135.347227968,75210.5485320691,75768.8640392516,92303.404601899,60612.3331581618,58864.1834439938,65536.3031644554,83009.0446790745,71709.5486612007,93714.8505033693,59512.4347052303,57247.9816171189,69130.4261198334,71636.0282105843,52810.6671914474,60421.2795810477,67893.4577148386,64616.1139878114,63752.3680397434,64079.4850136942,74432.7701220074,53717.7559383553,78842.2218001322,73507.4344267111,58498.5456351171,89827.0192539289,87806.9097074361,78105.094971295,71410.3942231711,73283.5303939888,64594.9658064538,79469.8671555056,66431.7559463016]
["11.04_505.3539n",506.361176782836,11.0392833333333,"pos","LysoPC(P-18:1(9Z)/0:0)","HMDB0010408","46693","LMGP01070012","C04230","24779513",null,"KJUNGQXFZYMUOH-FKWLWHCOSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","***",53.1,36.9,"M+H, M+Na","C26H52NO6P",1.33635445885519,1.11691151963153,0.00160164011569379,0.00673430802070108,-0.232063035901901,0.851416505860578,80354.7074668899,94377.671696264,84673.8967073907,59012.9648691681,88395.2092599461,130686.642301732,93768.1381137541,90176.7908608079,101212.603337688,90050.2593691859,91982.5955244444,101529.589205144,60372.6755697167,67110.0612115318,76074.1384601615,53554.6080496549,88496.0465550362,156830.375805843,100105.254920519,98308.7072814191,73224.8126968463,95326.4568279859,74947.3750226679,81426.3577491354,79121.6282221872,77981.1459038648,105370.78500544,92778.8725474329,84611.6907225784,92661.1770635283,113648.95441509,84285.0334468823,74097.5892619138,60151.0471877756,82001.940040858,61834.3787832031,62060.9819792494,58029.4874899641,56322.4957725585,58888.9578930198,53118.3160386344,75929.7799659472,73506.4141546952,74840.5990707282,116528.719841407,67731.5859375335,71728.0948154763,104544.206476021,66206.9083973053,106883.333360952,76945.9331921948,98601.0733351488,61479.7997241737,58279.0141014675,93942.1922958331,68070.5972281319,62171.0636549886,86960.0102650829,74077.8330001898,69397.8880629623,71754.0134469516,48565.082846517,85903.1947944352,76245.1991268622,56107.2123216604,53705.3263421079,76483.7565134317,69641.8938469498,37123.5146362255,64991.3523885142,59543.1306620841,60428.9304455534,50890.9935811654,75985.4298841081,91304.0300549499,61857.6462529199,90028.5232199022,56606.4579647331,95983.6114386731,89601.6552839889,110632.226942826,77139.8713487825,78871.8399167616,64647.2262002225,143071.352447797,69994.4332094921,84587.6432702255,95277.4036588919,109705.880287591,73794.8969894376,102087.509413695,80024.3283070842,121758.836966496,76156.6505565931,81232.670492536,56502.9985740869,104961.775493703,117885.178274661,96187.0849525554,71638.9809375658,117775.82442359,96690.5811977789,61549.4528694956,62585.5949912186,145358.951534752,76315.9606161683,41456.7453572416,49227.5189512574,108272.017642924,81816.3508534234,58272.1225751334,55563.2894153609,55384.8347627365,44834.1649313987,89339.604905425,47821.6552951364,77027.0707977609,70087.9467919745,50062.9408098255,44536.1010148313,96382.6791782996,95558.4085425598,69620.4188520151,67239.1895040648,91063.2117924495,29242.806917088,175953.460845606,69205.6810007745,97043.3588669322,62429.9340996869,111964.176805993,95465.0829058452,88702.3827314366,107914.019338798,129286.005756986,75698.5391903229,128473.421991108,105486.320977217,91478.6730980593,75969.0372897202,101044.554049181,109978.808781071,80377.5499559032,89679.1282660249,74372.6384902667,103517.461082551,84765.1856500579,108586.183734145,95480.1231484911,94279.8871264689,85878.8067424647,75185.8936300508,88761.3682615469,117410.047143387,91746.4422313012,75297.182706296,90044.3240108003,78657.4292932174,96295.390642877,82863.8488279784,93212.1569246176,117407.374051732,105418.001907687,83485.8395452654,87709.1393996824]
["3.84_467.1768m/z",467.17678707492,3.83925,"pos","N-(3-(3-Hydroxy-4-methoxyphenyl)propyl)-L-alpha-aspartyl-L-phenylalanine","HMDB0259626",{"$nulls":3},"22639411",null,"WJYNYVNIRKZJOZ-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",49.1,54.7,"M+Na","C23H28N2O7",-4.69360228099694,1.10950252328471,1.12705381335726e-14,6.05518750369846e-13,-1.52559183445762,0.347337038217909,4510.26823981464,12985.278687685,7414.3809291041,5501.95747055754,4260.75814536191,3576.92245441603,5148.54476826308,1554.02528888995,1039.35870526147,4287.11941228117,590.60340829189,779.354152664409,718.160236582714,8752.3863568624,6385.75247554523,4702.40729440511,3472.09708346971,3380.53311643101,5289.21960073564,6915.08308395287,7118.89485385572,3476.57545932499,8250.28964413265,2673.28457786192,2832.58434393817,797.654090370014,9062.68546152522,6156.61013080546,18123.7008486901,5673.22185287596,1192.40401673285,10935.7764092138,632.576941470878,728.603183264554,831.258130071032,17937.7553778526,680.182000557657,2.78597719902934E-10,4162.56976026581,6783.82164664974,8201.58853386639,4083.11521313771,8172.29089684832,3035.78226591965,1243.27424220136,2.78597719902934E-10,680.417683961065,1317.80391671966,2358.68804144824,3223.02607650678,9537.42722034116,2108.70681291267,171.766491687354,3536.8562838259,3375.4594844886,3991.47925655811,10307.4056389318,3306.91622786082,21363.8387546811,8521.78758214702,7260.75665817791,1793.94177693681,5727.41652227437,8055.0245282563,5737.97720008328,2841.23818869275,2449.30050432448,528.498397116989,3060.86666512063,12012.2922382648,87.2749150773326,4696.50766400977,1503.97519720053,4462.58616622876,3603.22596945229,1527.73718755829,331.940576320842,1204.33660764737,2133.41540415683,1571.92083496216,92.2587035200027,1524.98741287388,3527.69174265984,2454.23889901783,15845.6510441461,834.22875559965,6304.44218477706,2017.85316539181,169.77212871984,1200.03418277577,1478.93302146661,2699.64718068556,3055.53573487759,4993.19755275829,8892.29911582798,848.796135788715,1255.06714373708,2326.02340895687,5676.6247071287,8688.58854570208,5538.77549507028,7144.17196849368,4091.00167737587,2907.73891230655,2676.52164105681,10776.4568116557,2359.02675315022,7111.74520049694,2869.32845009648,9774.0754896946,2579.98125394883,1204.69984607073,8032.82896829076,10617.9032659736,1083.28864258962,2.78597719902934E-10,130.785835005496,11713.4073822719,905.931290526653,1314.69796594294,7116.96960314463,2220.23668838035,2.78597719902934E-10,2038.33089012348,4780.66759354723,4162.00751692996,5071.52992726736,24476.9951606625,1487.92222505871,6550.05577954442,5957.2559421056,4807.68569426708,11212.9517132223,16260.2684629381,14974.5536879263,10625.7779299142,32242.1523535787,6578.93499178578,8201.10761369607,10787.0943330625,6377.55913518852,7519.18330147165,17849.7926046318,22276.3682468866,11456.5325590755,12725.7563559531,11919.8558027796,20021.8432815434,8057.46699226538,19307.5383633498,6821.90069359637,33122.2246757037,13073.1786832831,11645.9947568298,25514.3889932739,10077.1925914156,18945.6050285533,3613.23711005776,17412.4510603908,5423.05972618878,8731.92119674739,4082.23279280833,11639.2378328383,7966.20893336095,2050.62488928764]
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["10.17_448.3413m/z",448.341328428808,10.1692166666667,"pos","Oleoylcarnitine","HMDB0005065",{"$nulls":3},"46907933","38677-66-6","IPOLTUVFXFHAHI-WHIOSMTNSA-O","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",51.1,34.6,"M+Na","C25H47NO4",3.75868476409416,1.07651761667246,9.43485049916912e-15,5.23791450212206e-13,-1.10814954578586,0.463888650326271,6720.37095854599,14487.0346662271,9727.49229675397,6275.50584623449,9308.25425137427,10364.1542297805,6509.93951902973,11855.2511338236,1970.08043257843,20616.4938122774,9063.56077646459,4779.60602290749,4926.60166917489,1013.18525377531,4624.40656182572,2710.82561866803,3441.50729021002,3681.86203991281,9448.24869320263,5004.19729069265,7180.21301446551,3336.94963184793,8829.79051776973,9697.14213274301,2113.12066406376,9131.83090479216,17810.9193735648,14283.1231747854,9290.28840342407,12273.6638332775,7308.43433323107,5673.59336805892,7234.09733462835,3712.60828020961,5098.67840833375,7480.56221267524,2306.16066548022,2772.83998646469,3068.9646031464,3769.09316007405,4296.93040244619,4822.77935943988,3364.23729643881,5696.33989597084,12772.0177991111,5558.88817125249,9000.12055732532,18545.7594911427,7497.17292020269,13077.3018723534,2469.36963904337,10412.4015043918,14798.6074236832,2597.24546949521,5888.87030651992,3373.9375387355,3649.20522593172,4386.43305412848,6085.46399565098,5832.60190875394,1863.73962744339,716.360256047675,22152.2775846221,5635.20737294813,6153.9650008983,1947.74827863688,3403.2036498634,3376.46686590554,4017.95548648595,4442.05167801686,5237.63706288608,5252.68951252955,349.253035960076,10517.0925951282,4897.34512500885,3476.42478825053,7068.60750798808,3222.26437585202,3276.26877754616,7035.85345381654,5758.47809127416,6826.42043979463,5734.30045338361,11124.2884140305,6606.58578770778,9860.32195785833,5935.05283162444,3305.46599115471,14060.1885577029,14852.0172785899,5251.76871097408,9261.5625761366,9984.87216685956,4008.01211578603,4680.87462634598,5137.38986018101,16593.9214431511,9018.37905923189,6517.97230400824,3493.6071773142,9061.97040475291,7292.29104864962,3174.15189433863,1668.10918136477,12203.4456235966,7906.5327378231,877.420983081511,813.884214822665,4988.82541530642,6863.859258002,5424.01719280094,6816.04098094994,2798.78423681589,2213.7920141376,3350.36526353473,1866.94906624749,5290.82858209753,5319.74346453149,25913.6409064617,1240.69855114874,5734.88519760413,8061.59279885506,8648.86764484481,3923.30560043338,13566.0345583893,407.329577619476,8191.21086776963,4629.09397921478,4334.36091691264,5321.02737402461,8049.46277394024,13822.8798482225,11054.6307945341,10922.1297645007,12328.1490491515,13873.5272826348,5714.63364847312,18951.5811580862,11013.5916465822,20206.9584616625,18229.7153235459,20749.1614064774,13906.1289515672,11343.9888503639,11507.5314737296,15219.3023932033,13637.9643330171,11896.1612823949,15876.0073880594,11215.8752256455,17474.0964308987,8453.23477115448,23563.093166765,10545.6510722351,12909.6333848502,17997.7019223559,21159.2868541821,12416.897392878,12940.6582109964,23789.0072241706,18868.5728004397,19375.5369910926,21658.8354191377,3197.85306916489,6075.04684154339]
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["8.51_342.2635m/z",342.263522471005,8.50995,"pos","Dodecenoylcarnitine","HMDB0251567",{"$nulls":3},"129664620",null,"VFYGOZNDDVMNNT-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","*",53.3,71.9,"M+H","C19H35NO4",-1.06244531649215,1.07534368102875,5.94179378492722e-07,7.7312949599971e-06,-0.689616019365774,0.620018849185917,16471.6755028567,26566.4108832884,10755.4111616952,13118.4476859278,16303.1733249974,15690.6298686857,20165.1814943601,14328.8222660092,13133.5134316148,6413.71522863103,6829.71787928838,28383.7991900981,9820.245410763,8003.90084554644,10283.8080677863,22632.9831567232,8697.95742233375,9953.25497561014,16672.6832002591,8055.44399124173,12711.2917472217,7515.52527264622,5695.72692605177,50292.1223974746,25974.4347054212,25393.6623545965,14372.4268566419,28312.9694459808,6222.44095652669,47284.0327474117,8002.96602408136,16040.4718161817,12860.6612654915,16052.3495883118,15816.7529251624,10165.0611532746,10748.8297776402,12165.5369992033,17521.9389936014,41199.5305623893,23449.0745381511,44388.9532500932,8040.49144128214,20811.01193878,18015.4641186115,19675.8951372128,9868.11567215505,18067.4488861493,13198.7894193803,15021.3168970352,9310.0020295101,10331.1634904669,15242.3569676933,25000.5575117019,11228.9775142531,13513.8587015164,14861.0222423427,11934.1580606981,30511.5884721743,15792.796020777,12491.4115253548,12603.5828220348,20681.2796835035,10543.0525736075,35588.4651220203,10133.511927555,21215.8240610434,38645.0225001727,17535.6817832983,27642.8726253481,22320.8781629329,5879.15050992604,3662.20315249876,46174.9290323862,21081.5524036582,18495.1330391638,15959.8663591265,7655.94311939724,9178.93172660964,15780.4705021194,9708.21961184374,17003.2539412609,10996.1081022698,59631.3657135642,6157.15480700037,13634.4594415132,18100.5193319471,10118.2378319084,8336.11728053858,35839.7562489948,5714.2256852758,14437.9767927108,12697.2952167384,5761.93138108206,15252.417014654,6265.96658164406,13591.8424917072,12219.5291190213,12312.3583444688,25565.7019607162,9334.32699953887,11195.4252521145,5481.11693121077,2878.20777288972,16708.6863091866,19953.8553985601,14129.938271555,6378.89976413612,9639.38163700385,33153.8241756694,30495.5368913199,29848.8658361167,11606.2270750809,12667.3204302218,10813.2260818535,5567.5382367349,31542.3005117446,26977.733769922,34634.3362312043,5457.85311783666,9945.05784290094,14898.287532487,25955.734504393,19152.9563876379,13580.0994685371,6993.65442860406,11863.3773284569,17511.8629821248,9255.04154806741,10137.0741293928,7135.70817708765,7955.69739029423,25721.5844324746,28177.9330817891,26489.8846991906,19936.1328091257,17897.8101881678,34253.399407407,29661.0917594418,21001.3736454556,18767.4489526541,18056.260863713,19699.4567163345,29994.9942909033,30360.0531808014,22737.063555412,27706.5153340256,33762.8007411861,25804.8130448888,27514.630893992,30011.9788234666,28813.1036908707,11260.2990423072,13161.8342384729,46878.5824708713,26103.2769288347,47596.9524631538,32223.2079428054,26391.9358882736,29827.6431429227,34245.6065727336,31694.4781194092,25406.8511129691,17697.1968971284,17835.3642173335]
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["0.73_262.1386n",263.145867805706,0.7283,"pos","Streptidine","HMDB0258506",{"$nulls":3},"201527",null,"MSXMXWJPFIDEMT-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","**",58.2,16,"M+H, M+Na, M+H-H2O","C8H18N6O4",-1.37984298100484,1.06202087795982,4.11672088909821e-06,4.27189946466858e-05,3.95317797290348,15.4890630652044,10949.1851195901,706.897833232218,13007.5579381193,25261.1917762813,8676.86871994901,2302.32611500383,15549.4955978406,4904.15948001854,1853.06556294213,7246.81887606065,11204.6407710656,526.350925494072,157.060124313679,9684.22950980824,10798.0883383478,60228.9898203403,16943.7708169355,626.998384350754,6528.2945799838,244.160666776581,3255.25333629924,701.06812250027,9276.07726775466,38700.8776326754,14407.0921641307,15628.0315883866,1363.41593923557,7022.64616189141,1601.8193498629,57.5066159113794,7217.37633107494,10342.2488030402,620.675192026539,14352.7851746806,10407.4296617026,8039.17827141904,66.7724856048978,736.160491307209,11815.242525895,3514.90249880122,28758.6523683042,8758.95247891218,20670.4704287033,4349.23234654792,1943.24106490658,4748.77891959725,5140.66947478708,599.833395095488,414.893288448085,431.54811625288,21478.3439123585,44159.8253659151,45474.1915495201,40510.7082590146,4962.66789596596,36180.3974349009,2039.3276470756,3535.70634774255,27025.3665596018,2270.41649355767,1494.53325871417,45909.9132813887,11.5271868134603,745.194834102644,16339.3313912217,23515.4386570345,9453.81571074273,15227.3972401507,48702.5755334105,9376.63256126835,8156.94298126907,13003.8549447337,15618.7537121923,3819.99814591466,3.92396318445862,24089.0404400113,3361.60739727037,31032.1270281365,15218.2775890381,184.574847955801,11530.3747443457,291.200009688997,276.696733059225,0.717536492506245,4753.43874299477,2046.66592564807,1084.24169725008,3191.94611688113,17856.2913972418,8759.85866764142,9990.51383392956,9608.44996935973,11985.5821685428,21173.5663269193,27877.7107495326,1684.41606910083,16762.948419989,8430.23489386823,14289.1528966504,1652.50376449236,836.246606565358,2.78597719902934E-10,14574.4544098352,8126.61923111604,2015.59374881451,5593.6539049941,25981.8591097074,7432.96402756166,10616.1673035775,777.404257271184,8.19678785973606,12574.3307441949,4445.46754807772,18499.6263902989,36079.6507770293,17350.8000017432,439.553801646272,25183.0988842623,2380.61048117965,10007.9039868065,517.504483776121,405.837737192585,12569.7781357417,437.780909442559,774.561540824516,42245.129238138,7709.14897442045,17938.1195334573,11998.8760551532,1109.95698454417,6307.21454790648,1620.13307035808,577.345326128189,782.075126834228,257.899594225444,713.551014874879,1226.65376018213,2.78597719902934E-10,366.133429371269,728.896995186979,217.595772943141,414.410277480638,1725.37548123969,327.136955584096,1340.11300383461,1.40540018346026,1239.46583019577,1434.8638291593,1155.92977356447,629.190673716723,330.505105273362,1654.19709487703,460.121928722548,912.6679549641,228.236294079489,184.11201987984,724.881868405535,9.84947980215167,394.332802683297,761.300057171601,461.824148852477,1606.60704873178,1007.87546063205,136.783630606267,1316.29135727637]
["8.67_456.3312m/z",456.331172699792,8.67421666666667,"pos","(9S,10E,12S,13S)-9,12,13-Trihydroxyoctadec-10-enoylcarnitine","HMDB0241532",{"$nulls":5},"JDXAKTPKOTZICL-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",48.6,47.9,"M+H-H2O","C25H47NO7",-1.67301973210155,1.06179104017219,1.64037128655863E-3,0.00685580521396083,1.72039988235818,3.29527731866433,33479.0936704646,10159.7196329548,4398.12389353368,22053.3464555968,13695.885554047,7224.78411472728,40808.8098303701,51337.2459740291,17082.1570790609,4005.53020597868,30188.5770466303,72687.5690266969,20857.8038818497,10038.8386852994,17696.8097227437,155436.98406566,9093.32622423648,15942.6762863467,7850.24167580326,18505.6016360354,20385.9586070817,9944.752184081,15286.5555425478,108014.261334443,6808.62167388508,39430.4977247838,6391.71333475462,12790.5928403614,4378.33132727799,52716.0279722598,8259.43448410235,13869.1589627878,26684.3271134733,18970.5876955486,13289.5683779926,19334.5689390008,17535.3647643348,6795.69065822095,34434.9406225577,17865.2355683821,23876.074844724,37510.1026476569,21764.5248422286,22682.8252581529,26467.2052905535,336905.494067386,15627.0762234086,38137.3563677409,55065.5553779117,9718.60351671465,5396.07552987435,7378.57650411868,150446.460816474,36454.4224606265,17213.5818729502,61613.125580563,19527.7409527758,19483.6465945177,42111.3239811293,11480.9800328008,36298.3060977152,6339.44648891187,36722.6602838855,28626.3007471538,63949.7453294573,33007.5442448626,19389.8493563812,92935.0287295456,70333.1696333681,25176.0570461633,188503.568642046,11699.2321989422,11860.7320525399,57878.2851534013,37580.0041934016,48402.1216953714,22071.8539659402,23385.4311523501,50917.2710149418,21013.2254675008,6500.91468245725,61506.7688746636,9651.48821641588,53226.695594387,8819.50396814272,22568.4654847395,22223.7483501036,50524.1353375814,23587.8899944812,29453.1671017958,8498.90299999246,7395.91105143445,25968.2427402936,10114.3567396478,21209.913181913,15420.6459695804,8051.44841053676,8631.3663396973,21774.2121423144,25963.825710433,11505.994021327,7578.36717015918,15157.3056152728,4815.76220613016,20919.2880836046,37982.1934759194,99711.6874893685,24446.7964769574,8178.28241828825,38113.5925627946,81783.1030195419,164250.933077544,89540.5066592146,20854.1138937869,5818.88062802089,30400.9921628612,16297.0818601277,38157.2595457628,68221.1710069064,16412.5859909984,6323.84093460785,17600.2423858322,46240.5676045046,49607.9500649955,19669.3726429002,33597.5963515211,24427.802112616,26504.5824359229,31597.401399444,28959.5257905497,3961.23953418147,5513.4683054107,19259.2525451398,6029.23505475271,12695.5836550356,10309.154911648,7777.83182674147,13576.6027006188,10377.2687876019,5569.31336939515,8953.01110189291,4035.79725864708,16125.1310924511,11950.0353135418,7232.92524405759,9007.60884787323,24150.4127035032,4908.54934711648,6260.35891681682,9514.74181333509,10455.3528970418,8168.6715663564,4701.48633071359,4848.31190349768,6438.99880126722,7888.55315273256,11514.9623536297,7763.83387263545,4454.35156639393,10590.3583916083,16273.4371567025,13119.1020958293,10528.4454455429,9938.06890169309,20853.9989616946]
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["10.59_499.3472m/z",499.347155107085,10.5947833333333,"pos","Palmitoyl Ara-C","HMDB0256087",{"$nulls":3},"317641",null,"XEFNBUBDJCJOGM-UHFFFAOYSA-N","Nucleosides, nucleotides, and analogues","Pyrimidine nucleosides","Unclassified","*",53.2,89,"M+NH4","C25H43N3O6",-3.85720986767257,1.0570001321175,0.0249178745820442,0.0628322787530576,-0.189652428338037,0.876816937133412,151992.413801101,173345.663574898,139452.023975883,104031.637361347,186197.959477622,231962.526743581,115085.283327197,127974.506010029,225132.491081031,183650.473937312,229159.851113148,131085.985010494,98820.1265655564,159634.121959816,196888.543385919,119610.938285164,171038.547144727,248273.599052015,146382.300851535,143753.061690911,177486.36595408,147547.68874585,161021.538367805,161705.43461439,136946.662374668,153568.138522486,167969.317988807,169089.255627274,157849.328882369,162805.954052275,195003.638231924,112329.619900785,172295.275960571,170407.556461371,230862.125422718,98055.8519100343,135512.128841491,60590.4392172427,51946.2106827791,150861.622977736,64840.5047269234,74868.9547659806,70428.8643410592,171029.777612709,193830.768758695,90049.007067491,137525.130475721,147969.801103467,108605.771199183,147363.121034217,132672.382692702,250864.488720065,69509.6488516135,146465.77046963,208063.726377958,116647.035904837,94877.6154731706,192031.625602444,224047.873593146,151704.702727611,95328.5574080536,78811.7402618167,148167.837561859,101182.512501005,123458.137639382,145861.230148863,128334.299710961,126063.641096421,82361.6285592508,181311.254379248,144910.825243836,153742.991746778,35697.3585994657,129821.231416537,160621.172652734,101333.969082183,216695.538468852,98003.3120983122,154005.114741949,133973.811074596,232075.872183835,88215.1067917638,123176.939382061,115834.51057025,219957.2010298,86619.4380136108,93482.6839974466,172137.128244537,175923.048141278,148339.832723436,199476.935889327,201396.435727572,279954.350991283,183126.624656908,173298.89548428,104456.14264143,215933.121027785,298988.615277547,197745.28943398,180716.756544114,192412.822841347,147709.467891879,125757.82540232,223265.865554387,249058.59296457,176943.210280573,121198.181702453,46215.7646094163,150020.171948772,225476.500255844,98804.0892563544,113180.097453964,82237.554103462,207917.889076793,228780.561156738,80992.3696463113,155516.81854373,196076.266342774,132495.976636299,85199.3415768195,154675.555285487,165017.340993014,118828.126679943,152415.067312888,181780.613186299,32076.1772932459,180345.994885908,207935.728784774,205118.702697727,115221.984353396,176070.162135958,274343.176936765,172043.308273631,161995.391227018,191317.566007112,169246.682559457,200896.927074719,160691.497106534,152922.730945637,211001.504642367,210507.928308228,222108.796032974,150696.944760999,147132.070273217,175445.49514462,185061.537180308,149981.819717902,181694.594657648,170666.159503097,144210.860169557,135388.511301352,139761.793561845,178713.559414905,194585.922280523,159860.868069502,178247.076999455,156839.789992411,160451.83351802,164567.752533734,202434.616302546,160104.548243645,195991.517470707,171417.17012065,193468.504289751,170951.620287566]
["11.13_451.3161m/z",451.316103666029,11.1335666666667,"pos","(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol","HMDB0032108","88191",null,null,"131751260","71097-07-9","FMEOHNKBCMQEEH-BQYQJAHWSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Ergostane steroids","**",37.2,0,"M+Na","C28H44O3",-5.04818376216678,1.04253225133615,1.55516813039942e-12,5.82052251950613E-11,-0.421117266085417,0.746846020460421,23280.6056984866,31171.8949565192,25716.9402725803,27524.6917724563,30047.3870685302,26171.6570880147,28433.4320715027,17989.05146629,31816.8735416974,24478.8233470956,28270.4593279591,26749.7528153984,19753.5762147432,21360.5403967375,20081.4101067356,15578.0399583656,19005.0539325336,40907.1123838511,23360.7740453911,26611.8078628382,17993.392874776,33748.3590761287,22366.3227451614,21221.2570953488,22139.9580469983,20859.4309550007,30089.4741965861,27454.5083326948,25090.5754195989,16803.2378807684,20679.7232564982,24532.742214941,23405.7449059801,25101.0159541008,20704.9986372484,20439.1396381744,21463.2447933844,2.78597719902934E-10,23626.1701678299,17700.3752159569,18917.5683685846,20722.2111821093,23839.0382755401,23384.6566823741,23238.2227990924,22949.1826691459,20716.2507925322,17170.4990856865,23677.6118710285,26261.787970081,23289.6754148766,25559.1712882442,25923.5992918487,18853.7941178792,22339.0605851397,20757.7188939022,25801.4557392771,22485.0036702564,17304.4271625725,18116.4528646636,32370.4299901541,26546.4061138643,25309.1875891881,34153.5455419507,18932.674613726,19476.5932265237,24667.5587185754,20753.7663933897,19688.4525870737,17936.3536415262,17471.4980743227,20375.409632821,25300.7618364621,19575.7549979686,18246.4321351065,28621.0392486918,26282.3795249103,19926.7758401523,27980.191862311,30467.7211010689,33103.0007387844,26887.4690796488,26142.5864606785,24938.3570127954,26360.8378081603,34406.1580280279,24383.867066159,28243.0691619822,23503.9046055328,24093.4717819371,34429.8472049343,23774.4546958314,24845.2822556614,28462.0987842352,17875.9171162799,25441.6473959277,31370.4060847571,30193.5699061471,27833.4374528774,20310.4979256465,25676.1375488129,23185.4910631934,24362.1155710384,22292.4339582251,21261.500912307,18731.5370752626,12746.9318331978,19201.2463886606,26386.8099371504,17264.975945752,22182.2199679196,17651.4669165668,17874.0872753652,20646.0005954912,21350.9628458937,22355.8280320251,17342.6371186238,22157.6717853587,21042.3001626158,17596.4507937465,21319.9028303548,25312.8198466249,20877.374010973,27599.180774268,23654.5976740256,14679.4089949997,32254.1247676184,19570.1562097655,20878.392642709,21360.8733562988,25204.9983343099,21190.8485935832,26613.2411342671,40424.9881904035,28442.4771605228,33046.159257529,39858.9675187714,30663.7309755017,34628.6138646431,26473.1539747113,47068.4232634026,31524.9326274772,33430.5420748148,22458.5237685019,28517.0075006263,43999.1207463862,27794.4021887471,32443.0619643524,31435.4744768558,29529.5992971791,35245.0051280143,35235.0602034827,38315.9670114807,27513.1315917914,27388.300388549,30708.6012251857,27415.9728859602,28311.1828622508,25789.1589584944,26818.3517710838,26323.5229073952,34556.9865914259,28037.2865029367,22118.0388871026,26543.5466652864]
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["12.40_339.2328m/z",339.232846450208,12.4043,"neg","2,2'-Methylenebis(4-methyl-6-tert-butylphenol)","HMDB0244434",{"$nulls":3},"8398",null,"KGRVJHAUYBGFFP-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Diphenylmethanes","*",59.1,99,"M-H","C23H32O2",-0.31560980419591,16.0539243727869,2.94835226786681e-06,8.83081012656845E-5,0.749280487510706,1.68095428236409,2867834.14043072,1706075.03756581,2872484.28726354,3357722.15343617,2658665.67927258,2636209.52746069,3522814.43920261,4870940.46300207,2324295.76170349,1647623.71947496,2231533.48493224,1387160.93020482,2273450.68000777,1438943.63398764,3798677.00381616,3048079.74256631,1541169.8290572,2139278.22511654,2065284.63189343,1863812.63742055,3880601.18778242,2046144.64222472,1208122.03193613,1373974.25561375,5361281.1993576,4077631.93110925,3394136.74873425,4387525.8870767,3414050.46478633,5947335.56103508,4233641.0590905,2415213.22316257,2119837.73964127,3653516.30614838,1447367.56669591,1781165.26310641,1693830.28268938,1342746.05488754,2267703.66574556,1724276.01346136,1461617.85693136,1521077.54153513,2024533.43706447,1390008.89029032,2719414.80474597,1379780.37121624,1367349.64500524,2369973.28853537,1143666.35158695,2313784.97385537,1333048.6287819,1204378.5053068,1014801.1114093,1673900.86940081,1589023.60872771,1800683.57125048,1322856.70024982,1582805.01568089,1724438.23808722,1781472.36508036,1649027.50228273,2203720.70194283,2660179.88540522,1562033.39496273,2204289.72741837,1734167.95049098,1300043.78831366,1458676.23422324]
["2.11_148.0522n",166.086046396866,2.10965,"pos","trans-Cinnamic acid","HMDB0000930","5880",null,"C10438","444539","140-10-3","WBYWAXJHAXSJNI-VOTSOKGWSA-N","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Cinnamic acids","*",50.9,65.6,"M+H, M+NH4, M+H-H2O","C9H8O2",-1.40915494959227,15.0827205718889,1.69733076554859e-13,5.65380878004236e-11,0.792206058567613,1.73172045313022,2000058.25073104,1154954.45417635,1993069.27038981,2316718.68528308,2479536.70786984,2292607.63778991,2117897.25464131,1532806.93924698,1403430.90286975,1848751.63009031,1964981.02277849,1542187.17215337,1672116.94940396,1460116.37694806,2287461.31990975,2396504.19014736,2164013.35888713,1509874.26838895,1257571.93206234,1364410.99163663,1959915.70803506,2214410.20751585,1638726.74163163,1607965.43331615,2042130.50296197,1933627.99292001,1766957.61602528,2398875.51529962,2288913.78338155,2338977.79346754,4017107.44952125,1964464.32030249,2125816.68332626,1910962.61113576,2189013.30478675,1089835.15375479,1182717.25531755,1056805.4888842,1313412.06762729,1365037.55942115,1065440.04352489,1193178.35641433,1248941.05439946,1138155.17887191,1299102.80454454,916965.040626369,1264690.25537192,1272243.5043508,1100072.82888881,1122027.66670264,1041541.41130225,1018416.78190519,1050558.1692435,954747.764358587,908521.998647576,1550132.38152996,1031166.23711857,1217316.94171898,1356336.74285117,973226.367329878,1204187.28703406,1326445.61163612,1400322.63587214,975639.016500658,1033291.47796442,1132625.68098688,1149341.72579554,1161054.49732337]
["11.38_828.5494m/z",828.549443048158,11.3767666666667,"pos","PC(20:4(8Z,11Z,14Z,17Z)/18:2(9Z,12Z))","HMDB0008467","59913","LMGP01012212","C00157","53479073",null,"CEJUIQBITPKHHY-OWEZASBCSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","*",54.3,86.4,"M+Na","C46H80NO8P",-2.39930427363533,13.1604298545151,0.00187390348463608,0.0115806540024541,0.353074976262422,1.2772801371891,4887451.43732721,3826452.23629877,6203929.71933609,4388488.09842042,5354389.73983758,4959588.36675267,5480069.83926051,6393056.20379787,3922795.40912314,2858289.89864472,3780629.49031688,5703407.29328654,4928242.90943938,3952662.84708214,697116.568500511,4973283.53768877,6204640.39303149,7152737.17194672,7067741.30682379,4100132.30355469,2606637.554506,5128380.45464158,3684911.70630003,4952908.53999,5012551.89176488,7946780.62338624,2857807.32111997,5805028.49995253,3470213.41609436,4529950.27399223,5620889.09288444,5173287.0947337,4388495.05094715,6559347.1269743,5427507.68766663,3949872.91420681,4002723.10877554,3759137.78330604,4591048.91323053,4011884.48702304,3822570.60263814,4709720.0625166,2461894.32794901,2653780.14704007,4610539.92174717,4963337.34710277,5093086.42060284,4154359.63507337,4562607.86653896,3737564.60169437,2871120.03902134,1122965.83084704,4275192.17664525,4387672.19352579,3968365.54110386,4379710.74152912,1976519.63440146,4165981.31298135,4522901.8681223,3346218.89723229,4629650.91018716,3149102.01826767,4093813.8504205,5656615.12537727,2807842.05101695,6066968.00706925,646501.26926708,3121654.19139835]
["0.69_161.1049n",162.112138625853,0.694966666666667,"pos","L-Carnitine","HMDB0000062",null,null,"C00318",null,null,"PHIQHXFUZVPYII-ZCFIWIBFSA-O","Organic nitrogen compounds","Organonitrogen compounds","Quaternary ammonium salts","***",67.6,78.1,"M+H, M+Na, M+K","C7H15NO3",-2.05549349560198,11.6005069010385,9.80611157733947e-06,0.000224622636108222,0.531554449226001,1.44548581295089,2040001.58815922,1411291.32495231,2269732.32794897,1822028.38686492,1319494.89810804,2840482.24332342,3293630.77254531,1543161.87544265,2501469.04800894,1510948.89557855,1746742.06674757,2466836.89421293,1746153.57175447,3414457.48962629,2353671.05942085,2504582.68590934,1778850.7610833,910283.898498433,1566616.38231453,1485776.58446825,1499218.518731,1946678.08767045,2059403.25642237,1639121.85739026,1814138.734811,2044482.90580936,2278698.44052814,1907473.12084968,1455049.14661942,1998171.75461859,4084776.06411308,2620317.73287399,2683305.805056,1137592.23916977,1076704.90273439,1334724.34967831,1480620.36714245,1522990.16631261,1341988.04640087,1331232.21060472,1407876.13977171,1545833.71362199,1963717.19244865,1143768.16508656,1051643.44769076,1309844.63589198,1257933.33897909,1749096.35550408,1726029.77291622,1578339.85726106,1353253.07789618,1493711.8786316,1298826.75329594,1181580.53437138,1626456.06342007,1322204.4237287,1581259.55439667,1785601.77847149,1731979.14770705,1547824.34970088,817972.741981521,1308646.85884566,1601237.02376701,1723169.94962651,1164318.0429268,1391706.2509045,597604.233232565,1299623.30121059]
["11.47_568.3621m/z",568.362112327757,11.46885,"neg","LysoPC(0:0/18:0)","HMDB0011128","40342","LMGP01050076",null,"24779491","4421-58-3","IQGPMZRCLCCXAG-RUZDIDTESA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","***",76.7,99.8,"M+FA-H","C26H54NO7P",0.228816473088807,10.4225445662562,0.000163645667019602,1.8230893539876E-3,-0.355076865534,0.781827986905375,2202734.06694409,2817415.21643774,2542031.5844026,1631509.1888683,2767032.89206756,2418616.64586901,1949432.27090705,3088133.69187479,957881.300268589,647900.789604998,2220060.54767787,1792040.39137162,1473838.17967557,1256915.97648258,1435521.62791513,2481315.08176335,2283687.72651872,2226052.39504043,3519172.82383844,2645797.80638288,2875106.76257863,1658921.52441198,2010697.58827954,3001751.8281577,2190800.85239589,3405534.29724249,2869625.49653394,2505711.48484917,2680795.88225417,2345872.27694423,2421793.76414066,1402956.00333941,3022075.86229493,1600464.13704451,1361175.5281582,2983610.41378813,2396926.54796375,3448990.75192567,2948362.85981111,3811994.80185561,3057604.2173207,2283354.09721539,3258230.78765998,3007050.22980701,4137619.58782651,1925471.60904057,2456223.90706178,2743348.6685449,3516598.83361074,2264956.16440069,2671603.0761168,3008480.47432334,2259002.42236837,2453121.76825114,2291493.03192187,2658587.10891371,3808286.38265152,2272758.13585045,2738617.60156128,2529570.85652414,2492800.67158988,2382887.89540303,2551672.67504674,2887450.12959663,3634597.77002283,2618151.42219549,2893369.58446348,2581907.65781209]
["10.00_361.1631m/z",361.163060876989,9.99933333333333,"pos","Gibberellin A125","HMDB0036945","91933",null,null,"101717694","328058-47-5","RYEQDBJAVSWVOI-ARCJWRNYSA-N","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","*",44.6,37.2,"M+H-H2O","C20H26O7",-3.97718562927216,8.88905870308087,1.46906049594047E-3,0.00965175643388105,14.7895986098128,28321.2752839034,425266.786477032,15.0158063933913,2.78597719902934E-10,0.303582320482881,2.78597719902934E-10,54.5934746445368,1844317.24512674,2.78597719902934E-10,1445425.21824025,54.5346658534665,888914.115170484,46.0164274163822,671001.175618789,2915152.75724086,1679115.94966467,910518.758539936,221737.775677701,386838.14439832,38459.8802334623,0.233931438524935,0.270607138526959,940401.167923379,1786683.82341649,2.78597719902934E-10,1776.26664210566,303182.941850688,3.72444202792602,66.9697036071884,2.78597719902934E-10,2.78597719902934E-10,0.0380193874090253,51.5818606510857,0.467189430058574,2.78597719902934E-10,9.42697719079863e-05,2.78597719902934E-10,0.258141095027547,0.747205513645183,2.78597719902934E-10,220.157730359234,2.78597719902934E-10,0.857763412215772,2.78597719902934E-10,0.118209595328715,2.78597719902934E-10,2.78597719902934E-10,0.662320796186538,1.27389844382417,0.173832851850121,1.41461084011011,2.78597719902934E-10,2.78597719902934E-10,1.55814944472551E-4,2.78597719902934E-10,2.78597719902934E-10,2.61380971855212,70.9123682744089,97.7418559399595,0.318734684141199,0.177447188234486,2.78597719902934E-10,96.7162520826303,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,0.276086056694641,1.10118831074645]
["1.36_132.1018m/z",132.101777827461,1.35511666666667,"pos","L-Isoleucine","HMDB0000172","5193","LMFA01100047","C00407","6306","73-32-5","AGPKZVBTJJNPAG-WHFBIAKZSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",74,82.9,"M+H","C6H13NO2",-0.970790112136283,8.16066465506745,1.03396589383436E-4,0.00125502548648124,0.32988689844895,1.2569148335373,1603022.30617514,1275362.70827817,2031187.51169542,1944378.44948156,1759822.56645564,1076123.92230526,1437329.04910777,1282353.43658438,1242389.01328531,1296071.87989061,1654965.27879975,1297196.7081045,1530977.95797744,1812137.79663391,1374880.80445374,2026458.12584375,1898772.04326639,1465443.32857213,1594584.39509906,1428065.4488808,1894714.04731952,1723513.41625011,1032064.29067278,1121340.09995302,1715847.53651204,1598186.59805721,1407280.03726688,1710924.32865379,1592617.26316393,2338287.33146762,1885216.30243096,1042899.76093567,3105895.98397426,1268505.2027161,1309306.18796818,1223118.44566271,1082159.85976238,1107042.05541972,1571177.82165805,1182383.26246524,1132898.22708151,1117864.13382626,1551784.99555587,1356850.17835516,1358637.5446516,1156562.44431316,1151296.45493054,1223273.1400287,1607885.27566129,1235221.31914747,1116780.09951873,994621.156012569,1224999.48721529,1173048.95283193,1339124.08734195,1315900.25848036,988045.942724245,1728373.25994475,1408222.14485847,1109452.33257273,1295298.58774601,1521755.1639823,1498526.44222161,1181785.17604639,1315501.33512588,1357299.61494111,1226477.23960851,1233602.93348719]
["0.69_203.0522m/z",203.052213669051,0.694966666666667,"pos","scyllo-Inositol","HMDB0006088",null,null,"C06153",null,"488-59-5","CDAISMWEOUEBRE-CDRYSYESSA-N","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","**",61.8,17,"M+Na","C6H12O6",-2.19430031219184,7.64321094892008,8.24897221515707e-06,0.000192149136004812,0.783351810745772,1.72112491776906,666521.766112993,387259.378579532,675744.72204312,691490.730161478,294770.206970426,636297.011253352,685044.940080997,370954.228175369,600573.585008363,1392003.27615053,543182.176895526,773938.89867396,417531.824341925,1892065.01454176,583235.689543771,978348.838113931,509566.048747193,601309.69486371,403053.353544462,999716.468065924,274173.682215925,789427.471429525,672313.535671189,411892.487762329,420309.230298572,494823.725298389,830880.643111098,609522.02893878,511397.856109273,468835.266354637,800509.685652416,591485.477141055,783405.490443205,628047.468142509,659367.525984069,369310.687781286,393674.631778031,322007.458196024,334303.335690183,366983.960154282,342246.841564979,544922.569768292,394463.084847689,276646.075191538,294863.073906294,594430.743510517,358982.338834871,474039.234107505,394109.236026781,846115.957554929,330053.923084023,313193.747094874,360438.490209059,330913.261485054,324397.89616936,321448.888499847,397225.29196412,398338.160755881,372629.839816705,398066.696972475,379099.67584642,323788.043488454,279370.362778537,507163.352226844,281702.450678962,342715.28996037,411135.316016556,400779.577163816]
["12.56_776.5675n",794.601337434033,12.55615,"pos","Tecoflex","HMDB0258770",{"$nulls":5},"DSUFPYCILZXJFF-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",37.4,8.68,"M+NH4, M+Na","C43H76N4O8",1.54074547040606,7.63483595894294,0.0364806026598535,0.103771893646432,0.184917419789761,1.13675190342207,2890479.47923259,2542753.1465143,2783203.26623364,2659413.67461581,2485132.44481299,3748618.6988656,3140586.16462656,2694031.35250099,2008964.30993331,3028642.65449635,2501126.7926234,2991505.05536642,1788641.9804383,3811131.25818618,2888264.04975206,3752523.4561531,1810793.05782052,3172351.52889519,2433679.0537899,2762000.39571079,3544847.63516898,3071072.0763489,3634191.50807112,2033476.62582679,2654672.10357628,3111029.42283759,4495308.19458649,3513368.550816,1865820.56405709,3311095.3719943,1619731.62644317,3707952.53896654,4051768.18597137,1960096.46884823,2350782.7463414,3436313.18377384,2408970.66796154,2241792.42185959,2187046.60622084,2895046.24441862,2242548.03186764,3141214.95462922,2341631.25387063,2715115.70635432,3045839.8245952,3215408.28177292,2245982.2046262,2370446.95669478,1371960.93144651,2327086.02816968,2915875.50968561,2024589.5773804,2787474.36332651,1602350.07427995,3227752.52644644,1524170.11946034,2777928.33343829,2978388.78491471,1200339.03385758,2389709.75101799,3290027.65029209,2474847.77551829,2247620.89584463,2972187.86174681,2563102.17148704,3230079.99082702,3306019.38389108,2211986.73329551]
["0.70_217.0292m/z",217.02922811008,0.702333333333333,"neg","Aspartyl-Cysteine","HMDB0028750","85665",null,null,"18218191",null,"FKBFDTRILNZGAI-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",38.6,1.85,"M-H2O-H","C7H12N2O5S",1.59603100703965,7.49846322818233,1.86061180097082e-05,0.000343778869599375,0.565963785343724,1.48037613700322,885978.028735882,598481.701096184,1200253.5103328,749010.971590275,628082.488974574,1030765.77944859,1016916.56516236,572576.67446198,958651.621801558,1347425.22142452,706564.87618275,1056709.06285337,590243.770872312,1933807.41370296,852515.336163934,1205229.39353688,603727.720773492,667827.532475538,611000.370890436,1233423.11252588,471186.280421778,1152833.68317591,697816.454906406,537669.367721549,590765.114982526,601137.878335493,1163188.94405751,834654.492621967,627345.647478168,730332.031577589,1247316.85242316,698889.352827314,986240.032705593,819450.498260147,1113716.89361479,455946.23964324,558800.495243802,593844.343173504,527819.243614895,664094.237862909,499114.490471672,627200.695724241,527669.171235163,487000.918487181,583538.637755199,613873.179315471,546030.045170129,773444.37446095,695882.195014199,1421797.39511507,464882.027544251,443242.410951295,502701.70631386,531892.61862754,559983.28892926,494823.299760012,571102.253077983,577145.958365617,586748.253371946,615084.216781919,721810.119672986,601865.270084464,515554.819737808,677597.826243245,518504.015756072,519292.056583385,616092.548494218,655517.783590577]
["6.75_368.1658n",367.158518417098,6.7455,"neg","Dehydroepiandrosterone sulfate","HMDB0001032","4095","LMST05020010","C04555","12594","651-48-9","CZWCKYRVOZZJNM-USOAJAOKSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Sulfated steroids","***",60.4,40.5,"M-H, 2M-H","C19H28O5S",0.13541003960727,7.22506661474971,0.000766801523105973,0.00577876894449321,-0.932874031553611,0.523813798183957,310996.383419495,593715.523527079,470369.545253495,456648.839105638,22909.0837476359,228775.327792423,9634.97943783567,247579.650272438,33694.9633222298,337307.385461666,105707.135094684,111038.955556844,919255.47799492,97925.3371936306,461316.847033607,120538.656937819,404940.672390358,1008174.0762863,189596.130973621,1005351.55322416,508074.166731543,350456.044266778,201143.721239459,59657.6467139555,119271.098523728,113467.681893659,277689.025039317,470894.063484188,151617.153519809,834911.0179382,213758.954880638,141279.649627452,118671.604705902,348069.746912216,123154.460287197,842272.886555595,244872.898862253,480229.725173859,910799.934432099,583246.101313065,502134.903414629,1187733.84321029,576894.462767331,768913.945555398,488255.165966196,622868.458701006,825810.299504643,760127.015280033,2057093.36505258,278208.69453884,445101.304470845,567183.991035386,169555.181185692,792883.0740179,496138.698991246,418114.391497655,329458.331970769,569172.491063726,655126.991758315,358699.355073712,1098691.18139065,632598.313158351,307107.173168716,406702.331061124,360345.942653347,297590.305275207,31111.0910797688,527570.427213374]
["0.77_167.0201m/z",167.020133939446,0.77085,"neg","Uric acid","HMDB0000289","88",null,"C00366","1175","69-93-2","LEHOTFFKMJEONL-UHFFFAOYSA-N","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","*",56.3,93.8,"M-H","C5H4N4O3",-5.53260666364971,6.91797499014151,1.93883072142831E-7,1.09461781916571E-5,-0.426569728436062,0.744028748396507,617295.123963423,829665.688716715,941481.991816286,590036.440564435,803758.487171249,862905.982005534,424939.285281713,366268.581130493,644994.286484289,697130.287014294,689362.942225384,709851.84745083,445199.697855238,537914.001665978,494949.076347569,421112.895255475,399326.289908994,648537.339439888,571587.573849902,794535.2332516,451508.313345114,667863.812260509,528843.785430261,547388.209582303,536259.329724974,460675.350711858,589701.332147064,549457.576349166,426750.480369793,657932.903089959,987170.206763697,774352.10108012,681489.052535067,549809.306444988,917645.092238942,933773.752185792,798487.503579968,922794.279259473,1115411.38652285,755531.13396074,1024161.66272486,882002.180790082,1009142.95613687,895698.194346569,785117.398941883,629557.591245015,913897.256516856,850398.107493804,728584.416525264,915994.576412286,741757.035476359,647151.328788711,759691.625729383,803270.671522119,696386.323105285,797663.440946393,638573.723910514,1046963.0487727,894892.489144968,864514.83004785,786060.314214212,671071.035538704,799093.376812378,738298.751576376,662136.361064762,1057352.6712321,853324.540516999,760213.76260947]
["7.53_316.2478m/z",316.247844524525,7.52656666666667,"pos","Decanoylcarnitine","HMDB0000651","36669","LMFA07070006","C03299","11953821","1492-27-9","LZOSYCMHQXPBFU-OAHLLOKOSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",59,94.8,"M+H","C17H33NO4",-1.23857263741577,6.0872090161178,2.68799403239589e-08,2.18383124924651e-06,-1.27407733207791,0.413489519550758,113452.43063305,274378.007830313,113168.5013948,159504.476992881,237803.948551289,50745.3988940326,126635.41564291,117518.912565246,146099.579285377,127402.754729592,56799.9647017791,157208.602301118,100452.01012648,64659.3393590846,87693.3109086471,68037.655979221,89513.3335236682,100966.42261319,44052.1282337639,74144.3511555226,80855.5739329586,77675.645780453,186934.062658228,104819.190554872,18829.2085251353,44691.8236562189,69921.847850811,68452.39716202,118280.819015398,88552.8393240405,180527.326790034,61803.6961501168,33214.1289358605,95388.9047871223,591576.638808784,179338.07472751,278650.571377536,285628.64559292,235060.500498054,391813.221605603,367611.357201096,413357.20808685,159094.341454249,156314.740586541,172166.449088435,385074.239366279,291806.42036814,337715.738222261,330631.949420876,183179.280258118,292136.760862337,172411.675950352,201469.188293982,377785.546826836,486500.179632318,134271.489660414,71133.0933079993,426594.532124732,199444.748705337,518391.098650585,268590.158322986,290083.055811649,200467.13833481,283772.42636273,338178.828507786,288668.768866549,150355.771289506,186777.059034948]
["10.56_453.2847n",454.291945163158,10.56,"pos","LysoPE(0:0/16:0)","HMDB0011473","62261","LMGP02050036",null,"53480922",null,"CKPBBEOJHAPPBT-HXUWFJFHSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","***",76.1,94.4,"M+H, M+Na, M+H-H2O","C21H44NO7P",-1.92075759321117,5.77864500391256,0.0023160084985208,0.0135344286115312,0.507414141271353,1.42150004163512,752381.472109361,529286.98562957,1224549.11223888,723966.36307049,1777507.10556892,1355736.99469104,1012136.0722696,860694.83440908,381826.338292199,187576.7940151,582437.777179132,746161.939193716,547475.032185621,796551.572358827,479153.549356698,752516.649860477,1055134.02372781,380213.766704884,968747.412783437,388071.494696827,739533.456690778,436206.452194138,522464.510934169,548630.499452957,796560.166440773,1070629.86274512,766999.971714717,348959.772114918,425972.604443135,303447.017262869,1489340.2269097,729483.894840073,1328768.94537395,676291.062293734,424843.303595152,648400.351125445,445116.616356621,565786.286466312,425502.439575013,516928.096397169,458653.483813871,476616.281969744,566976.676010034,698395.887014614,635657.560046898,729636.164247463,507154.188895342,382658.218806715,723485.562551909,788564.518175261,499646.544948836,576755.652358798,406289.550550457,286233.999017489,294492.219334252,477908.737141317,453021.367123658,358735.93634666,492678.678414591,460730.520052504,326071.372157819,327049.214609758,717776.599196792,394351.826565753,715757.094993145,545792.300175491,835445.432965154,728201.14837094]
["4.70_312.1469n",313.154164591144,4.70286666666667,"pos","Phenylalanylphenylalanine","HMDB0013302",{"$nulls":3},"6993089","2577-40-4","GKZIWHRNKRBEOH-HOTGVXAUSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",65.7,83.8,"M+H, M+Na","C18H20N2O3",-1.61574483060524,5.39488186925583,0.00908592739774795,0.0380694643545892,-0.437234433248686,0.73854901022954,700748.067765067,948817.286407676,1495386.21920949,216261.440701576,95144.506929797,175481.883635007,1067506.92458614,713274.670824753,442915.920068578,162273.579074789,741824.846630035,396336.946512881,976455.151582266,939282.043662208,430579.562929961,417049.797065381,1627039.00661881,701131.336460609,991220.18589367,690885.75132612,1272815.3807809,632622.117648737,900737.668637596,1348522.30772667,857980.068974467,179819.739054218,1524143.12169513,672075.175191408,440479.99534353,354777.401726235,226537.747884863,636234.777883527,1028485.35794009,335500.837248131,433904.764799626,629574.2117229,925856.683717044,715045.544717539,1357510.31989928,1873031.5747606,461818.07581199,783929.712505921,801761.647899049,1126154.02932819,1265959.4580113,670881.3308096,999923.318062313,1068895.59996929,1324007.43353777,1098040.59568978,818363.4410027,761681.651103323,1234262.31098766,739247.09633507,743662.900470711,1477346.50128328,1248793.97683652,898975.73882721,797574.800243527,505779.413106686,1005011.11285632,1039521.22023299,1237175.84655876,516678.90614423,665676.45113158,1017013.00972521,908143.338099475,593673.200065489]
["0.70_184.0561n",367.104960927853,0.702333333333333,"neg","(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone","HMDB0032401","88425",null,null,"12980878","61295-44-1","AOEYNSLUBHRZPA-UHFFFAOYSA-N","Organosulfur compounds","Thioethers","Aryl thioethers","*",38.8,2.8,"M-H2O-H, 2M-H","C9H12O2S",1.72804098311857,5.13625636902905,1.74607121136201E-4,0.00191321158060752,0.419241086451096,1.33722393807955,641378.664787355,479634.44754696,801919.805658091,732430.780126743,209704.991289715,606672.095698676,545084.620747357,497270.715565339,517923.881359877,732165.847577028,630361.510971912,700285.012610296,666134.695582916,1131962.90935048,526705.727270751,936629.062173982,359527.611138167,479842.736936189,558777.746578935,1066704.60278187,478531.435379686,546298.692539879,596979.277830806,511177.760663139,641868.830493183,533853.000026277,961070.364881438,624761.248902276,566342.16668161,634833.057451796,687609.483329434,444416.029123506,757544.115582124,694740.083391176,785366.038288059,401356.105431971,459918.856688029,499558.634156605,315101.473811423,657753.409465309,530991.815477957,458344.622572844,404823.913605649,450068.550482798,404017.881358064,641089.376853557,434295.272140807,411871.63394657,350954.161654994,927923.885718998,259366.469474969,315067.385535741,383406.975877995,550278.42105192,398236.386593603,393354.463585972,431701.767337443,394950.928034987,593442.687372201,525776.379005785,681797.903600306,411813.676390259,408851.819543693,508995.304986872,467815.582106318,530262.653196082,503766.179286752,720982.192703213]
["2.11_167.0893m/z",167.089337279904,2.10965,"pos","3-(4-Methyl-3-pentenyl)thiophene","HMDB0038183","92919",null,null,"566107","62469-65-2","UAGFAMQTBLSQSU-UHFFFAOYSA-N","Organoheterocyclic compounds","Heteroaromatic compounds","Unclassified","*",37.8,1.63,"M+H","C10H14S",2.64568060284575,4.8561404670798,6.39620141047825e-14,2.66321836228788e-11,0.77885393336071,1.7157673380337,208031.389487098,121246.852574723,205721.372681615,244676.646297304,260032.835246719,237095.864966789,217284.881451737,162967.036123812,156764.359697693,189526.764299757,202205.070630509,157768.102364051,172385.616334649,154815.008235876,235985.797883876,245500.063029169,228497.650783384,159717.159305999,135372.67741938,141809.263055736,200925.605184058,232888.810421297,172759.189909544,168066.134468411,212550.172848191,197491.306541096,185888.413039869,245316.560997136,236382.871854343,239519.705915721,409907.174118641,208462.545932193,224436.969555436,196080.604688963,226233.617791268,114899.189642095,126171.57384216,112261.629986975,135161.490055675,142023.770627998,112575.405891254,128195.242680376,129430.408252489,118785.74829043,134260.363830027,96431.3648344228,132139.615504605,130980.623157241,115660.137753783,118561.948731805,108712.19317615,107063.008809813,110710.044312391,99662.0462355234,97086.1836663492,158561.572531289,108895.852949111,127164.291940784,141433.749912968,102674.570405077,128712.608264724,136548.010137999,147929.754602269,104819.700033621,110950.234246186,120808.267904612,120601.855197386,121273.677558277]
["10.00_720.3134n",765.311563949387,9.99791666666667,"neg","Ritonavir","HMDB0014646","321617",null,"C07240","392622","155213-67-5","NCDNCNXCDXHOMX-XGKFQTDJSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",48.9,49.6,"M-H, M+FA-H","C37H48N6O5S2",0.833545455159465,4.83771036457034,0.00149473913481147,0.00976269815305292,12.5126649076015,5843.69395261922,125663.847246023,21.5041801067798,4.23650937048158,2.78597719902934E-10,0.118406442630648,67.1257722867871,558513.898215919,2.5089890160696,471706.033733092,2.78597719902934E-10,227437.717265404,2.78597719902934E-10,180082.474164118,826121.462751279,460015.396647119,284992.387647325,56181.1662052616,103156.54654522,11258.1186931781,5.895000134053,10.61360907672,294382.058402513,574905.727492454,1.38097497055433,203.576795674805,97758.021772176,1.34269540029552,94.2763866067092,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,4.874444730007,2.78597719902934E-10,2.78597719902934E-10,84.2099105047259,0.804768665344315,5.12732661957595,0.363618326624132,1.5499283326318,10.8592803810957,1.69532731767739,10.2062201024613,27.3289780847401,17.3829081632342,16.2491064328082,5.15759124910101,6.07458470167123,0.198514816916809,1.04578143581199,11.6988317277927,162.901172786635,2.0877698654813,2.78597719902934E-10,2.78597719902934E-10,2.32588617858887,4.35930151204178,2.78597719902934E-10,2.78597719902934E-10,1.14781938999414,1.85267975554801,5.42048556645699,107.817230720532,1.53898767202617,218.373805761477,1.4153674392948,0.184183475419541,0.260576536909457]
["11.28_568.3621m/z",568.362149686048,11.2773166666667,"neg","LysoPC(18:0/0:0)","HMDB0010384","40292","LMGP01050026","C04230","497299","19420-57-6","IHNKQIMGVNPMTC-RUZDIDTESA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","*",59.7,99.3,"M+FA-H","C26H54NO7P",0.300197589923848,4.68967986371345,0.00114875675166939,0.00791765002617738,-0.378752968062447,0.769102097321588,432463.411072788,562296.491686669,556816.570670937,268577.221760954,600091.992947017,479320.373913302,343664.675904457,588492.781147229,115785.16421462,104011.160638563,477416.521145121,325476.352405643,263386.695805018,225749.265315494,246913.217392232,459023.374871581,390323.263867214,451960.334104925,732992.654648749,598812.1198501,618555.381714157,273920.942767559,346775.042699983,677550.292022542,411301.621442655,730943.759659183,642259.871543893,461392.953551802,634447.812939663,377716.8301358,420059.558853096,294921.574753131,637767.146278976,275287.053881794,239578.982554615,535713.301515734,435679.769781459,722851.93007945,626155.07499198,907985.194910837,669384.346195451,479108.539854211,709442.00451802,653966.222773145,843567.129487633,315367.931761082,497988.019223946,476474.577407784,683869.235167801,442781.864010803,546020.646316713,635121.011466114,443121.07631146,484650.854037162,447521.624988859,509708.156335138,746241.660975801,391387.004997094,504359.425239424,486205.153197279,450008.134822203,452624.404771041,532389.555776397,568152.570301433,689726.31566704,544166.845503479,600454.148118964,523590.495155146]
["14.43_584.2614m/z",584.261395855837,14.434,"pos","Americine","HMDB0034441",null,null,"C09996","5855402",null,"SBDJWBSJRCPRDV-PFONDFGASA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",39.1,29.9,"M+K","C31H39N5O4",-3.60714541443563,4.64255069430919,0.0267532124169098,0.083991470839516,-0.760251123385163,0.590393554640695,245359.39467502,415586.167474917,82460.0607091561,55251.2060754002,38736.3600207088,295147.537850389,187588.501633135,358484.073696081,149391.447902574,66392.868945781,495593.689471165,485255.298753138,1483470.87486039,11242.4529102457,586864.602631814,176353.102716549,219261.646091587,170803.303560262,121274.579815796,8714.85124800943,224595.052565898,701600.125405897,310085.416212392,76798.0582373431,227577.618725239,142706.12976312,253552.098655654,43712.3207851055,215955.094480113,289425.187050934,81107.157158485,347272.445977533,58558.4394919636,99354.9516171795,32273.4692566123,44495.1960444055,37910.5853868883,167107.943936558,565344.881058813,61970.7933310534,195544.258588643,21068.5388606044,647279.649817128,267438.955930835,850802.230501315,229977.219164808,539705.24543137,506841.341396068,137501.767925893,213434.784749394,735433.630058349,172688.330076225,469512.672166609,109180.277996746,420760.031620528,95374.1558635717,849755.886275943,697607.813539598,874802.220520542,736343.385453089,1215879.87404986,1015913.74853681,133145.52803862,460968.23958182,674691.240564807,113693.673088439,392191.061170806,59978.365946138]
["0.68_157.0848n",175.118628436729,0.677966666666667,"pos","V-Pyrro/NO","HMDB0259734","62984",null,null,"5051378","179344-98-0","RJWXCQACZTVGIN-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrrolidines","Unclassified","*",40.5,11.9,"M+H-H2O, M+NH4","C6H11N3O2",-2.06066333885541,4.62010374198949,1.77376408877437e-07,1.0186910654668E-5,0.698955004868206,1.62332853239098,211664.678601805,130389.304677622,243221.218599704,204625.501016524,325201.65348681,160039.285130954,249138.845362708,163487.879341023,313772.763130032,170338.154494947,191181.59845124,247246.653388227,91142.5406959461,234492.702717,125817.637997117,299163.326774069,226515.032671557,236500.644587985,81366.0586967097,181121.089494416,89777.4812045838,241283.071132728,176862.163074358,174113.439274082,272484.174097594,313975.839362215,318559.006340391,337067.867146447,231924.589809378,133299.055561689,152922.438644432,140424.75064063,257660.386682897,245443.897613767,154763.647237397,168699.893549047,164899.083111706,104248.511157289,111355.896677748,151745.435575783,112952.46540273,107423.454227673,116236.214917285,84273.7496549242,143722.35768301,80406.0042967862,171224.75862604,101596.339794022,62267.8026247906,165110.980299959,171185.823919024,107051.605497789,131424.873326163,174619.278821898,147554.230015112,88119.8053823067,111319.841101531,125047.138146116,124816.299234084,191712.945419789,183978.477419577,145007.840887093,84450.7273203496,116145.844813486,110788.687355746,99994.2762804565,181892.76140424,161573.650417981]
["5.99_287.2092n",288.216469419962,5.98826666666667,"pos","6-Methylheptanoylcarnitine","HMDB0241043",{"$nulls":5},"JJGNMUWKUANTNN-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",68,54.8,"M+H, M+K","C15H29NO4",-1.62050646254434,4.43310774412389,5.93940630033913e-08,4.03758416049584e-06,-1.16722947034203,0.445275620590544,70084.4472730693,157395.653460929,67729.4300862507,87026.9021623446,113781.841878733,41096.9558923668,66194.6747641897,67947.5127842987,115250.575174046,69639.1834337981,46801.9386587127,96270.7945896982,63664.544371476,37191.1560272207,50968.0455768236,46967.8693583667,62561.3991005246,65476.8145040891,33659.0629007553,49471.8131036871,56094.8032275164,43535.075203451,115796.805582023,51174.4750444046,17903.8180778524,33913.9221682823,46091.986106915,48942.8362512761,81014.2869421104,49091.1475653559,117321.478429309,38660.4063175387,33014.885045614,53662.604718621,344867.714963637,152533.033894366,160658.761385994,143364.869422064,148428.405295692,213907.968539519,189285.990698465,198244.869276729,98388.6922285106,90411.5400956146,115001.483038691,217607.057507567,154217.060553333,198546.608673746,161739.964948061,86861.905358024,175743.117043571,128144.981301533,145792.909374527,190643.787007656,328714.132036749,81684.9558288607,48308.3023454654,280949.87836825,119488.471161914,256597.850805651,160200.934551075,160626.173917174,104944.584930944,125856.066386744,192535.793975872,167956.028468886,94797.8711302634,101872.514659138]
["6.88_313.2248n",314.232075138404,6.87551666666667,"pos","3-Decenoylcarnitine","HMDB0241067",{"$nulls":5},"YMJNFVUJNDWLND-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",62.9,39.8,"M+H, M+Na","C17H31NO4",-1.62748919660403,4.40837930088574,3.23362587778188E-6,9.53204229990394e-05,-0.798261683549217,0.575041633165239,128379.178697786,223251.972193979,136767.732144479,130644.524122076,312874.003036332,114430.286296476,143333.399709876,171660.10684039,177397.121734191,154264.532486208,113870.716486226,183795.931047322,112709.01975225,103175.307769358,63994.5203100512,128261.884991058,111376.710081284,115995.660104467,54425.0068784283,130774.262942619,91306.981757278,90938.170606691,161253.690764414,122673.232975286,36563.1819979758,49791.5812895718,62924.1902474104,119138.316863192,74457.0120961946,99311.4219615919,250209.589788849,65885.9831607141,107534.190790116,55328.0800276583,389446.545966914,282387.507260734,222366.490287852,204139.317010967,199097.25750059,481651.138110558,249078.977994788,297359.103661526,107791.109211921,148556.17104524,165584.369635376,228831.501773957,271019.546381613,270952.174000022,201186.675501704,128999.316520738,263636.405831561,202187.633659053,203621.691791197,298100.753672538,347040.927003443,116082.463466609,79327.3101290284,314360.554546745,194798.419366164,249277.726328905,247317.632768507,221091.348033385,160236.200120868,182764.644884114,254622.450574252,236097.256469394,171220.716346289,166530.291511673]
["12.81_531.1782m/z",531.178217808428,12.8066,"neg","2-[[5-[3-(Dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione","HMDB0254804","822007",null,null,"46235922",null,"CODBZFJPKJDNDT-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzazepines","Unclassified","*",38.5,0,"M+FA-H","C24H25F3N6S",-2.7470245828725,4.38630342052272,6.0818518643625e-06,1.55435874034346E-4,1.14907865994097,2.21772220059177,172262.766747698,77675.5387585211,203111.447981317,210124.443071423,149724.420801196,207955.78085822,203193.976722732,319353.352263728,97599.0631203615,47043.2392430753,150556.132990651,57753.3450403305,181553.567221169,58134.6941157618,224622.536422749,162129.373355464,76943.7356595301,75352.4399365069,120685.911658839,44063.4295479994,372280.082672948,69965.8757272222,52082.8230067728,53577.6844418037,370243.164350841,219834.577809258,151670.951623462,238184.98997821,184618.963821608,435136.224801774,342154.385882298,128409.344043887,197779.036449185,232366.522510679,46465.7855430457,63361.5792835026,69909.3009230865,54760.3499869799,90206.5565675636,59384.4445273357,51845.3086255029,58976.2715967265,94277.4692644255,68493.2708172934,126375.556700575,55710.0318405557,61772.0807268994,107311.982285344,34854.5109260784,111439.199270891,40177.6086545917,54787.5731639555,22247.8500580256,75449.3672218412,66047.8955664653,80343.7381084476,53438.6209738821,65404.8019238589,95053.5038765254,105881.906563161,84341.2117071534,122227.846638616,153511.322365849,73542.0285004021,130388.296809279,98688.1778144108,68935.9045885021,64147.2111534704]
["14.58_619.4892m/z",619.489158684257,14.58065,"pos","TG(i-12:0/8:0/i-13:0)","HMDB0094827",{"$nulls":3},"131803006",null,"AGIVMWGNMLHHEG-MGBGTMOVSA-N","Lipids and lipid-like molecules","Glycerolipids","Triradylcglycerols","*",44.4,30,"M+Na","C36H68O6",-2.76930336947092,4.36903727754008,0.00225287243160614,0.0132585124906008,-0.696797221051827,0.616940293258688,201337.426373487,326348.316966006,197001.030127311,143461.200838153,207024.110764476,410731.168902504,250945.038984391,649759.806838778,43740.5617985901,237949.938211805,62272.0858567085,32133.8260731366,317622.330554,173931.464309786,854173.224364628,111737.226216076,212528.406148468,142753.843216451,169175.423629629,425997.54274042,224564.14253947,181739.720019232,157723.392227054,60285.4676005326,86254.3606021688,125911.904559519,67364.9880033423,88164.0104103683,259081.837283427,17265.7651224955,81504.257824838,194576.327641445,123126.205866707,139067.17731881,194567.283730353,361928.456148474,472345.202208124,360239.867525801,60137.2352638566,216440.514647695,334280.714230218,126092.042399839,314458.000922439,162079.934739958,468339.825947781,116321.889058282,266040.978287246,213454.308146536,212307.561455883,267495.634547578,486697.250191912,191611.662108331,187558.145196596,346017.792414749,330524.776437864,339894.511312889,588071.810283584,272730.197377447,320105.403216164,440948.41445372,166400.014134682,635270.515727476,401823.772880173,428288.835811805,360505.03277565,414135.43042743,267757.340186833,639191.389411189]
["0.71_131.0693n",132.076588426077,0.711183333333333,"pos","Beta-Guanidinopropionic acid","HMDB0013222","44712",null,"C03065","67701","353-09-3","KMXXSJLYVJEBHI-UHFFFAOYSA-N","Organic nitrogen compounds","Organonitrogen compounds","Guanidines","***",65.7,39.7,"M+H, M+Na","C4H9N3O2",-1.25542634071364,4.29443501883144,1.20285371577347E-3,0.00817695046375804,1.15350323338623,2.22453413015244,149520.202220792,67214.1641677333,178579.093871415,228109.583259583,147407.083122501,308435.180119522,217638.760058926,132898.943014655,335928.86914902,58778.9099767696,39334.5253999467,38905.5911771518,122084.81036906,408743.009785427,54066.9878631235,438981.474937537,54679.5811205784,48543.1409898389,174918.732325148,88287.4136280467,121572.188822377,95723.8263580809,24992.3473368825,39346.9103899322,303150.823788312,64227.5466670272,76958.818875864,45854.8478243648,25367.6496812099,36699.3882467087,12618.1248237994,552635.542593094,243337.259298816,131132.35935184,84227.3490595668,50247.4146812403,67175.7944055147,54496.3387752227,101242.582652492,103923.101655997,31602.484773989,45920.4135556587,62677.2194528973,47938.7865392479,47461.5829750323,135479.220345377,21933.2248960566,78614.1485589491,77836.5425533864,46326.3539235958,128702.945279438,117038.186152482,69563.2735929913,69101.2610809711,147396.610230996,51352.4772318017,69404.3728017333,87169.9779018895,49877.17428042,75165.7479344665,32073.9565230865,53875.6570988337,30016.6241286998,80663.9855746595,33234.5217856024,30196.1539551458,44866.2453263632,75493.0369109613]
["3.87_144.1746m/z",144.174560163407,3.87191666666667,"pos","Nonylamine","HMDB0255712",{"$nulls":3},"16215",null,"FJDUDHYHRVPMJZ-UHFFFAOYSA-N","Organic nitrogen compounds","Organonitrogen compounds","Amines","*",40.7,13.9,"M+H","C9H21N",-0.809869171280526,4.06717880857058,0.00183724341355103,0.0114176451689151,2.00481370308786,4.01336870954058,125360.844683222,31235.8155345194,180729.733353457,180205.602646241,163180.663216671,160352.714362913,161682.571771756,136608.471090751,83.5589099986071,102.393253624179,109.601820889719,99.9930859335943,168.843009101966,485.198376282138,78.5567669366232,206643.838597489,161959.254949603,268784.211289273,354910.849232729,50055.7651382057,315.795398076376,93.5452208718926,372.667579935955,83067.263254262,227267.417764355,186709.14669604,253531.455903613,174791.945004427,186950.744912061,179258.598705016,161986.074490112,177064.95975459,179815.897083291,205103.775943411,94336.7659643942,104.930449710048,113.199865544262,37.3766986439502,114.621631003493,74.1945531567926,215.509876666495,21.2336839193494,72.997043764969,102.393287017861,82.3496848965926,84.7981745718847,108.031595696443,82.5044526435995,51.7382993332244,74.9513232352168,138.529426846481,63.1635889621154,76.453958854642,70.8932955197394,101.83799737824,33.6908682093916,44.6344768630686,102.336322458239,63.0021693043308,100.894429196755,128.133178063197,75.0320533531077,121.714807108642,52.8258887490752,132.747365380702,58.2441991489315,314648.138220466,713428.809773473]
["9.06_267.1239m/z",267.123875342583,9.0603,"neg","Methyl 3-epi-4,5-didehydrojasmonate","HMDB0303326",{"$nulls":3},"101417752",null,"RRZQRPDFHNQSJD-NRFYAWERSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Carboxylic acid derivatives","***",53.6,55.3,"M+FA-H","C13H18O3",0.351317655484729,4.0664080624792,2.20809847365919E-5,0.000383082084154102,-1.15227697669753,0.449914579476515,72241.7554173627,160567.713767839,104744.245245274,13088.2413141601,214195.181454222,109147.161735455,62902.12381363,59515.350987279,28572.0332534496,46323.8864462999,61224.5025641976,56354.7343698366,81688.2312845461,68830.2768989886,176338.138458743,27746.5898611673,109135.65929883,33258.3472747495,33326.8537978032,55351.3538516355,42591.223404907,58410.0592506955,42165.7732993191,96101.8707938606,58667.5662612565,43151.4986534002,37344.7486866181,69675.6646699148,38854.9228035468,69017.1170816521,278969.508718889,68311.083457311,75466.3076451396,21582.0553674398,41925.6167687528,90720.3242204556,574296.06858137,110097.143189675,190151.65256555,81685.2469209999,110550.485854675,347187.525495682,88091.4510269838,239299.472412934,137676.688636493,118456.405165549,104999.68416101,154476.045638673,155272.290598801,192826.87447175,199771.775917492,143784.413711262,76058.2023539662,125298.332572178,104041.805966084,76856.4719542474,77947.986208759,168424.150552717,215495.238102253,153797.22962888,262935.765562756,102113.544312496,87266.8603233493,200322.254163335,161108.792046148,120521.991871067,159882.457372584,167319.92277851]
["10.17_423.3341n",424.341371053059,10.1692166666667,"pos","(6Z,9Z)-Octadeca-6,9-dienoylcarnitine","HMDB0241540",{"$nulls":5},"GPGDVZHVXYLOKV-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",68.1,62.6,"M+H, M+Na","C25H45NO4",-1.80543868479773,3.68695132233339,3.49326393288916e-05,0.000538706581502491,-0.543177543404694,0.686257757004805,149759.853861225,218226.828524105,168239.275412905,92543.5970088586,243304.698576936,82098.4180825913,210802.541568505,185757.282119233,72626.828039077,61582.3507336099,253919.193131981,178052.47947593,197742.886000018,87709.5701490562,120842.952585967,136427.339099068,80449.2956926399,182218.035632678,156907.555250731,107252.043547038,141228.62272473,80338.137163661,130109.475450918,153649.498861062,82284.5072854271,121598.616881777,135111.756649747,101000.313737365,138177.431838793,163078.887407856,183476.146404371,92712.9219153138,164272.219682331,146517.46031956,490042.838990682,206839.892549353,229207.996582714,225751.824965938,243984.800442527,233442.047565059,303712.003627042,193787.074510739,193143.718534293,303981.766063037,224426.803867954,203211.905709752,162681.78472494,190223.038446399,188195.166502664,218969.616838153,196770.508075628,231804.804721461,201990.948803434,246585.167599568,176258.500663509,209995.591866663,168992.950370329,233997.177978891,290042.496006461,221463.164553669,207368.835798861,196335.470378277,212751.199461689,312250.535099364,263247.768179491,203750.687935031,156261.63376591,150058.45910668]
["3.04_231.1468n",232.154064369936,3.03756666666667,"pos","Butyrylcarnitine","HMDB0002013","6436","LMFA07070003","C02862","213144","25576-40-3","QWYFHHGCZUCMBN-SECBINFHSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",56.6,86.2,"M+H, M+K, M+Na","C11H21NO4",-1.16903315040736,3.61592356251234,0.000713890321501565,0.00542915219388519,1.07576037475047,2.10783271583652,167278.42417755,79360.3889534295,86662.5748822332,167835.451802687,256510.350772197,215324.541873426,239755.52653346,139195.913827128,445556.748458557,116038.328734071,133610.08768723,205740.913196316,59453.8643996694,222286.450128712,83338.4302293055,312988.400238797,142913.079433573,44510.4522780819,95202.2572473058,52302.0696974117,105641.771090875,139818.47498009,108956.908116476,128285.0525472,171516.31179197,133370.038255217,63873.6461539307,123507.36776107,47740.631526997,88881.9951121629,781480.209998694,246071.460196237,126873.362978189,58492.0744959629,176453.251433905,83975.1326060598,64482.7472325363,69139.3136526239,83488.4269317847,62228.2550212832,80299.5670700644,106471.1716435,84607.6106473152,95010.6238646486,40199.3848177587,44380.7103018646,111564.603706962,73828.7426985586,48168.8797362339,141875.293260145,144708.050030046,59671.8573296639,62835.7835248078,59724.0053767746,63947.4457028349,56816.8215515061,68299.2971844634,75035.2960819133,69815.0952344951,106474.0419201,82079.470767618,62256.136586304,71619.1586399425,94716.7892264409,60952.5824345735,66731.3954862603,83377.4345010499,140111.71069304]
["1.02_229.1544m/z",229.154382184317,1.01855,"pos","Pro-Ile","HMDB0304810",{"$nulls":5},"OCYROESYHWUPBP-CIUDSAMLSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",42.4,16,"M+H","C11H20N2O3",-1.25689520077901,3.5199759713566,5.99120019563598E-4,0.00477432723724006,1.3809184120485,2.60434109308168,173360.180705115,66565.8508271586,95869.1809383968,102660.985214158,196464.451379004,296685.669544287,251770.237509175,79319.6231331642,395911.240742661,98605.0358574337,102967.987309243,244263.673095297,204126.998336232,142451.157430111,178760.988008577,119803.372804512,204885.284685328,88584.8427846306,32207.7761984151,28802.1336298885,129637.384052262,91714.8630935943,150534.317116484,126064.067820502,100951.61266301,84436.4948900564,149510.691046941,173527.764865909,90418.3973348108,163377.744339284,1019290.25499021,146662.627581447,124924.884984148,109023.566468093,196670.653421518,77117.2297058761,69249.8477801837,65505.30693748,68143.1414242178,65738.0438974652,73435.0540164874,93656.1579381551,70921.6133115299,79531.1488523762,67154.8851976457,37845.5479508249,105617.730603706,57676.1469603688,71960.3248920292,54423.3209489561,63175.6751764816,52028.1374596409,57949.9072507246,59004.2806885353,47116.8757501127,62618.9763855261,41148.7922472473,68591.0049111963,75346.0494740267,92686.7468283808,51626.9402832213,58636.1101391,95103.9875875872,57365.8352832429,72443.7089818608,75528.581394872,52373.6791447169,55952.2878924592]
["1.09_164.0472n",182.080999204745,1.09406666666667,"pos","2-Hydroxycinnamic acid","HMDB0002641","6727",null,"C01772","637540","614-60-8","PMOWTIHVNWZYFI-AATRIKPKSA-N","Phenylpropanoids and polyketides","Cinnamic acids and derivatives","Hydroxycinnamic acids and derivatives","*",52.5,72,"M+H, M+NH4, M+H-H2O","C9H8O3",-1.03897137901191,3.42029276222405,0.00145501765721637,0.00961174375550469,0.271966340814235,1.20745242036351,322443.015524259,267044.075680585,258998.744589512,362765.390107286,276465.962089589,388243.847496473,380036.357259023,320456.360011858,274516.746412095,170400.707589903,395172.200793321,266952.616517411,288668.096844735,226931.108743496,260401.073270273,513828.54794417,230691.579531962,252581.127720687,306642.467755298,268724.546620002,310842.601081118,322235.581782304,290581.467603067,298171.535346905,513849.510659595,392217.475370826,272322.933921941,297237.311908443,361221.012815717,340390.246488549,335487.148607188,236091.150880112,509710.593767536,285478.290574074,432305.170196069,226320.231593183,283555.384740085,260915.378949937,323216.485889169,300789.000121876,247271.68923828,355463.642859367,292339.29331282,235314.413996988,283937.537726827,195483.180782932,235497.260886635,314519.335788521,278230.14405838,215790.274537688,260738.370680532,257489.209587418,317512.474288145,245622.246892938,222989.778984879,265248.026796197,239948.457044278,232428.675961237,318190.383856223,169755.438740672,260649.499032484,362272.399781385,353326.547784187,228977.337553215,218283.212157556,234873.986714914,326899.100782903,248606.096337442]
["3.94_246.1365n",269.125750052552,3.94063333333333,"pos","Lenticin","HMDB0061115",null,null,"C09213","442106","487-58-1","AOHCBEAZXHZMOR-ZDUSSCGKSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",66.1,48.4,"M+Na, M+K, M+H","C14H18N2O2",-1.21255088241145,3.35043197134026,0.0146689645602463,0.0547170447370441,-0.947612015630944,0.518489969410289,90134.3802211689,173840.161891048,244600.284309307,9729.64162705168,101286.585229911,143922.867368969,96884.1919264385,6267.3169066277,29690.6836521974,75846.9011158561,202343.855540861,29486.9169756376,490467.201613941,39506.5232122357,142964.984560409,115390.732188993,44634.066302764,20888.0462650949,115216.853497513,32874.8019975127,144395.267479222,70833.3205707835,35507.4519889892,30683.1248017784,203234.141052984,77788.7908327059,134565.553475232,15012.7076228898,6996.27703337104,9794.79435588347,172530.232183939,74657.8726109025,47492.1922955244,1651.16747356279,7289.19922948467,149328.21616337,153124.694063161,216193.360184591,49675.3847415498,30767.3058406591,862680.163114311,176161.068988897,323997.444260839,361651.117146234,75954.8480685438,108396.377424622,68004.8383568227,178815.255831531,68942.6640299484,24501.7515579797,117428.049550996,215510.783346894,416684.796922549,136970.665780624,242446.002755507,91707.0855134978,90719.5135839134,117440.274376158,138437.342265433,174760.665026939,116249.645984107,141802.638503484,173466.117136281,38898.5516893254,10679.2515168022,473998.889273264,64233.2506788582,127097.328726877]
["10.27_525.2857n",524.278452453824,10.27195,"neg","LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","HMDB0011496","62284","LMGP02050060",null,"53480945",null,"TWBVHOYVCUOMJY-PAUXXPOVSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","***",70.3,94.7,"M-H, 2M-H","C27H44NO7P",0.360761928746542,3.34844264362509,0.0325057535170565,0.095904929110111,0.28749704306952,1.2205209366025,451407.957871052,369848.598523524,480860.959614196,341219.693385314,773119.372059099,449245.072330176,805300.703870067,550173.585409089,209199.748196072,118084.228501004,499732.960368096,320588.912650293,311673.919949247,535164.877023397,339954.462707796,447908.765824409,311469.435030554,262366.139125129,679535.633511744,204607.95251009,443133.255795045,430540.105762411,568324.497155884,457592.219088039,235504.707787882,583998.189893914,498965.369052881,431872.078681169,459965.269926849,343785.783447836,632806.077633925,395222.474665149,1053108.81421959,491878.344792606,229558.999775766,364417.148888642,366747.799173438,322420.130444677,378607.467374802,353235.106010891,296954.227039372,370354.011591566,375153.988375351,441362.628831259,380033.276150262,482574.141483371,317319.938246365,366978.966311643,584134.090885209,670523.780216859,392067.719824259,468322.270456053,278560.444201767,257973.922217643,250574.547957265,248056.67938844,215963.75261698,304539.969960206,358946.330311457,379758.793843269,349955.374806267,228854.937331861,402788.452020308,434364.346722587,395946.533568801,400074.647531369,380311.565555377,387126.761938665]
["1.56_190.0445n",171.026623571258,1.56393333333333,"neg","1-Nitro-3,5-dinitroso-1,3,5-triazinane","HMDB0253137",{"$nulls":5},"HXLUHUHPTTZBCS-UHFFFAOYSA-N","Organoheterocyclic compounds","Triazinanes","1,3,5-triazinanes","*",39.4,1.09,"M-H2O-H, 2M-H","C3H6N6O4",-3.09404635122662,3.29485828270247,1.37861219498864e-12,3.53242863192859e-10,0.964863999876711,1.95187951290247,84171.1202382059,43123.1127135723,104150.867699478,123030.159844905,58590.9675266703,25149.9827238623,94723.9999830828,71261.5812248237,110000.603250492,100450.741675459,79257.8341468085,63470.3912944637,110672.820289987,126931.075453312,61449.0942574123,97789.1090846862,56284.8960074652,81297.9185012072,89346.9178020737,58823.4754016188,70704.1609541019,102228.170076906,89114.7239508481,63374.8810057295,65066.3369295689,63174.1674056564,66318.211828005,68107.385379898,77745.9678712476,99523.3148001518,72754.2261689701,116318.929150041,124353.961192602,63456.2149257122,122723.88005355,28966.7924170894,44229.7356498717,47934.7024721989,50332.720483135,38166.7749986839,33429.0516639856,38105.2892601384,32566.8202262728,38250.4075627968,31323.5379166118,51144.2100184671,51992.8142162551,71785.0346600773,43761.661805573,51974.0710452941,31600.8417800122,45846.2688604794,38344.6858961355,41397.6083573883,51499.5602448296,25112.1373589032,40170.175994094,64694.6042628343,40454.0353592346,41415.794880376,51714.688162608,33954.9596801067,26106.1297130933,49360.0264164734,41565.7298287929,50286.8054510801,46010.8549533187,49564.1879516755]
["3.55_965.3318n",966.339090891863,3.54536666666667,"pos","Disialosyl galactosyl globoside","HMDB0006588","58474",null,null,"126334","71764-07-3","SKJCZIMWAATHMG-CZYIXMLQSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","*",43.3,22.7,"M+H, M+Na","C36H59N3O27",-1.84306730638098,3.27536460825139,1.21933443500096e-06,4.42997065594066e-05,0.97966008559671,1.97200072975457,104699.696014922,53093.1324898405,201225.94910001,74574.4734503918,162482.315523572,118492.487911556,113678.949410092,58755.8145863705,40913.1840904334,116656.155746289,95026.2038275627,76700.5609396591,65967.2509944651,106453.846553007,178678.680806206,157492.54585499,180920.985151583,60186.4745499202,64894.1905374759,29547.8141875371,139679.95346954,71667.9451747476,94231.853804827,109920.676696104,70799.5926054226,32666.4895688912,122228.754577268,135170.573374864,177206.171434505,77108.8603207269,60647.3592706021,68879.1454060386,94212.7808575437,86159.2431450259,211862.685565182,45516.1019910919,45311.6528179134,27883.2277675042,66722.6449294572,152491.818977534,29030.5831761235,28693.7019779263,44758.8611509935,81338.3917846556,63124.8703659394,54605.3159048119,60686.9470410731,78223.4082871834,65024.9436304756,65584.3494463274,39969.3329508509,29240.4977643382,62930.5041690898,38214.6123550664,45242.5066037307,77603.6845437854,56451.1413487951,54687.809936196,46584.4535281169,31261.2144611082,44162.4259971493,61599.2194112623,78712.4749922885,12936.2628575963,25793.6962107298,73999.446254807,41403.8439389665,22283.4255918474]
["6.10_350.1198n",351.127028657049,6.09746666666667,"pos","Prodiamine","HMDB0256792","72645",null,"C18884","34469","29091-21-2","RSVPPPHXAASNOL-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Aniline and substituted anilines","*",41,13.8,"M+H, M+Na","C13H17F3N4O4",-1.24950686657055,3.24958824902421,0.0369687445052936,0.104891727382566,7.4451802272997,174.269976062429,71950.2482746757,412.866575760021,26.4950282187729,1230.20052055028,826.426749556385,1800.02866831578,868234.218649227,421.888680089343,24350.7586082341,203.002577432279,517.512876141133,14329.7223809451,154047.588884551,40.4381968975916,94.4235325436464,514747.024148493,449.137746022983,153.660113989206,126.524890004869,307.327562853711,1865.04932006274,386.19173035292,550.480897269917,930.270602181944,164.551325130042,42.5378309139793,88.0123661425441,327.424113184479,460.17645913315,220.517493813207,459586.905277406,359.282412216243,309.642955645329,326712.165330607,448.605136173834,235.770071462502,78.1295541226724,155.728575042862,228.344242204763,769.539096592241,125.795588920082,308.078227248457,458.631610387929,797.250506674918,771.990820684593,110.139551281691,2051.16401769072,55.4978294511197,395.361779512899,397.038629260521,131.51975300981,146.780458491749,490.533972247053,193.925658734975,578.596372279273,693.710377158228,221.037310221487,1185.62818922879,199.439292643874,306.997074035619,179.47189923013,257.821722416338,195.045804609007,190.851579385399,341.192497699331,270.658622815266,355.819371058189,747.106944278194]
["8.63_736.3057n",759.294873028458,8.62816666666667,"pos","Hydroxy Ritonavir","HMDB0061044","442333",null,null,"71749331",null,"CLEDZMPJHBBTNZ-QJANCWQKSA-N","Organic acids and derivatives","Hydroxy acids and derivatives","Medium-chain hydroxy acids and derivatives","*",45.6,34.6,"M+Na, M+K, M+H","C37H48N6O6S2",-2.74740727167515,3.22752463448799,1.03351674227633E-3,7.30922350004769E-3,9.90396966482541,958.058316723726,78948.1940228668,82.4043720979806,97.4882654029786,151.335292939134,2.78597719902934E-10,131.493131717226,275499.599502008,243.535992626935,117377.904899294,2.78597719902934E-10,190515.380269069,2.78597719902934E-10,355366.598658117,19254.3154200745,400917.204212035,69590.9430972013,233570.160682968,240138.830715723,8070.52197955733,109.726420666787,2.78597719902934E-10,76955.2382211676,439995.72406994,135.746950824375,227.832127352115,176564.137009387,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,110.504257017755,2.78597719902934E-10,99.2744803940904,2.78597719902934E-10,2.78597719902934E-10,166.907099119297,58.0919003264524,2.78597719902934E-10,144.288384906059,193.604746530142,146.922211238997,56.3476101307834,222.969027966096,2.78597719902934E-10,75.534989458535,2.78597719902934E-10,2.78597719902934E-10,116.596779672917,753.629364447534,200.137938335217,2.78597719902934E-10,257.926712573158,200.604671086358,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,31.8561769599751,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,63.7131660033856,197.120599592734]
["0.69_163.1154m/z",163.115437908348,0.694966666666667,"pos","(S1)-Methoxy-3-heptanethiol","HMDB0032380","88407",null,null,"12009861","400052-49-5","HRYCNFLXCKVTER-QMMMGPOBSA-N","Organic oxygen compounds","Organooxygen compounds","Ethers","*",38.3,0,"M+H","C8H18OS",2.00656263969838,3.14846595986844,1.56696617031486e-05,0.00030523767914145,0.512632542995454,1.42665108885708,159335.575843625,111685.03433539,173633.674348048,138098.578560033,103245.895568097,214350.051565722,258552.6428417,123533.03638346,196182.41625586,117247.924448056,139707.813447588,193954.423740788,140427.183736913,259815.02052756,186717.880367172,192007.875841059,140665.46376954,70232.1166032582,123963.561411042,112708.660444437,119455.983819016,151551.714306777,162351.749297181,131788.392304573,140709.363838052,161433.243517425,176537.918952523,147554.200471864,115348.347114027,159547.646211246,323203.740689466,202702.864792076,209663.33581211,87714.8912089865,83466.3906439608,104334.061881535,116294.757028126,120987.270720151,107852.33722257,104493.439492083,112866.543890091,122085.371507782,153732.142019164,90820.9389935214,85940.9436792617,100874.609932851,98401.0861155913,139061.793745635,135175.448465669,124426.102237043,105573.933162145,117303.513774718,103173.765208206,93416.6267817097,129363.612127336,108414.52637958,127430.398714838,141412.434402224,139957.755004122,120663.871927114,63844.7452485404,105095.389635517,127370.042605015,137354.951155048,90602.265435584,109123.918992809,46577.1173266991,101580.418255588]
["3.55_944.3572m/z",944.357189889978,3.54536666666667,"pos","TRYPSINOGEN","HMDB0259306",{"$nulls":3},"155885873",null,"NDIORHLFYZGYPG-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",49.2,54,"M+Na","C39H55N9O17",-3.93123645873593,3.06412477060793,8.11132067202802e-07,3.25527821187052e-05,0.97931597337119,1.97153042340547,90035.8662213428,45668.0075298162,173956.086879894,63008.2858712506,142514.542028079,105062.519375585,98332.9382775194,53000.074560501,37232.9658834177,103677.175665198,79393.2683248124,62515.8099757855,60685.2093107564,91383.9806440139,147207.680844349,137830.617892105,156595.210449558,51147.9302602595,60255.5092496772,24831.7487343592,110614.98160801,63412.853938318,81387.1352195085,94566.1811889584,63066.6298893103,30327.1154832696,102574.202834881,115469.514213492,154441.706650947,67672.3593378008,54307.1458057813,59066.3162762827,73450.7885978975,75394.3604675005,176800.739565233,39717.3650233428,41732.7257137526,24232.7276435164,57325.6401450442,128165.216267835,25068.4887857585,24451.9435000798,39379.4596112701,68483.7003584559,49841.7559448511,48875.0636453265,51722.6131467993,62185.7822158087,57193.08188133,62487.3835661103,34679.0717146849,24217.6759716088,55592.1567811433,32981.2316815129,35611.6350394678,67126.4352785923,49629.8132296191,45345.6566012013,39588.6797283189,30595.0845921281,36715.5492580257,54678.539185312,68140.3828647586,12188.6453205261,24134.3379951455,63759.3093680543,33331.1079140124,17865.98851054]
["2.61_194.1152n",217.104377959933,2.61276666666667,"pos","Tetraethylene glycol","HMDB0094708",{"$nulls":3},"8200",null,"UWHCKJMYHZGTIT-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Ethers","*",42.6,17.1,"M+Na, M+K, M+H","C8H18O5",-1.37235425418097,3.04333774994063,4.48069091347158e-05,0.000648920931859732,0.886544061109885,1.84874220080133,87724.0301464179,47450.6559694447,61066.8006606907,57024.4465231826,216449.358536382,147805.561087246,184428.778857021,79698.7752576408,71862.9304420865,53016.8129248638,46455.7144170106,60268.6726918809,40154.7319745047,77806.1696604985,53695.451697116,48079.5742151636,57202.9686752557,55147.5047077735,74550.5269111395,26674.0595360974,45113.6195343294,49085.1249043383,59569.1896031451,59472.7327793405,193131.936936989,116349.651577002,145426.553482772,124142.987767848,193356.526095773,104550.660937863,103970.202805933,133521.35319396,60548.7577300156,48971.3414230275,46293.5172839009,37069.1322836613,49710.1380184292,43722.355712063,51048.1003180592,40983.5345225443,40635.6019843155,46038.7909793181,44522.5856809996,39852.0621861079,49818.8911752597,78100.3429120805,58886.067749537,49832.6010518724,28012.8927906942,36859.4021750735,58603.4040201561,50061.2335932796,55532.7883996647,59544.7822566476,50514.6916991527,57320.271137117,58549.6945646245,52164.3027999404,33924.3126635888,55614.5259698713,38924.2657104409,45279.6233934664,61548.6014256599,44593.484007203,31634.9498400407,25873.6720617166,53945.7865635582,37148.7573455309]
["4.57_278.1626n",279.169857872778,4.56803333333333,"pos","Phenylalanylleucine","HMDB0253025",{"$nulls":3},"4078229",null,"RFCVXVPWSPOMFJ-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",64.5,37.6,"M+H, M+Na","C15H22N2O3",-1.65777968884185,2.99619623194234,2.87377593058934e-07,1.45038600375653E-5,-1.19421084527056,0.43702543566672,35032.015834004,80160.1302234494,75411.2875228267,7193.99034968619,5465.82654330195,5901.26144694191,24160.9435082515,53978.8898856647,40986.500042471,5849.58917015034,68967.1506792041,46559.6665862171,69833.2020709482,25533.9965810542,24930.9437529114,5421.49743183519,37015.9497192219,36167.5069305604,43353.3540747363,47628.0044292564,48578.188206732,29653.6970780839,61824.8295102642,65173.008806979,75469.0331652155,8339.96901429202,68622.7803840632,20256.519571684,8101.4051499616,6109.73920282846,3745.63124852473,35824.4101066079,89612.482966316,7305.182294689,3080.08509065079,39155.1765545558,88106.0640595125,37143.5502680086,100006.049108959,173394.435964848,47568.0867314793,47905.6334536477,54517.5073655766,104613.81618413,79439.8269425648,32099.0932018556,131156.607089997,94617.9315898302,112522.839174248,94559.6744034553,74200.1247812033,47973.131924691,64778.2794812558,59733.9687700064,41824.7085262166,118139.481991035,94416.6848045599,87280.2500609094,103524.63155996,53348.0578926431,95335.8306921444,117492.398147562,90629.0692289848,24531.5700537807,58530.6011891102,166624.34425075,73449.744452426,36665.1274739231]
["0.62_146.1053n",147.112570403787,0.619883333333333,"pos","2,5-Diamino-2-methylpentanoic acid","HMDB0248233",{"$nulls":3},"2113",null,"LNDPCYHWPSQBCA-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",65.2,44.2,"M+H-H2O, M+H","C6H14N2O2",-1.59970616503539,2.89630066478407,5.79597797943297E-5,0.000801026733977007,0.447463966229034,1.3636410794945,128322.682731316,94102.975233692,122113.430564474,95014.5245332473,158983.146064239,104012.137703957,179327.97266373,122469.133244951,140882.765108554,57615.9919455224,172199.219053672,137208.672615477,86492.8003252222,106900.015865978,98643.0895839791,225125.183804982,108292.604268182,116668.465792012,112708.207028452,91911.1938010714,137446.493105642,130780.840450055,99325.6241806561,79188.0159831638,212278.050961314,211705.649102383,140442.468776544,94275.2775444871,107428.604656054,130271.271897208,133688.801327736,113628.547350299,216999.773433657,99454.4788178478,91166.0785786739,96737.3274585445,85140.7287700692,75729.6563204955,107485.117924287,84143.3639519289,82923.8281550423,91031.9059130822,110666.3670707,63598.6609900984,113474.386403086,72466.4827150814,68328.9500082138,92669.6868351767,71825.9443020359,101291.447174777,118818.591512542,94437.5176388355,91068.8349962324,86523.4356834502,106383.425020042,109945.64675673,81231.0986881782,121437.468513077,130801.292936121,110786.273698585,103732.286377273,107881.842087052,91465.019458112,74394.9664526643,106767.656349036,113767.720781665,71395.5258170606,67045.7259525606]
["4.47_748.3741n",749.381375637671,4.47228333333333,"pos","Hypromellosum","HMDB0256007","43376",null,null,"24832095",null,"VUKAUDKDFVSVFT-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","*",41.3,12,"M+H, M+Na","C32H60O19",1.62954840366936,2.88538641878304,0.000413860268659662,0.00360881820655847,-0.581752532735679,0.668151638242818,113931.146979067,170516.901340984,163680.732488298,238679.026740913,2442.77782329568,18382.1899593929,129127.317718733,94259.9571532263,104823.495047431,105148.434767111,137887.682967025,155156.212915256,71510.7294340454,199896.703121656,168116.626962218,12486.0133909267,109089.074955476,128438.532478262,51326.7207644595,249920.282612872,18307.8184121013,175384.907165652,116099.969713421,103900.632426325,101436.824908016,110790.975050807,203495.353629128,88545.2308925268,95919.2818855291,87385.948972815,145617.426651794,68218.7159069861,120114.621323571,132883.495554199,51254.1365157449,97709.8231019497,134716.478499614,128044.055976326,177163.539862325,121107.472438624,133690.401165272,245486.181395094,91119.6166910629,83683.1038048261,139542.553746031,194142.623721691,263107.453077261,198287.33200214,127703.425300165,240727.671891417,253397.748294475,215626.802029767,207044.240894891,144489.720887185,137642.236570837,115323.56239709,135557.191224476,309215.670197617,113748.394539667,172302.966725042,111408.949620778,157292.722249753,116793.976611838,124682.738180798,152915.687156318,210290.587896106,283419.550742037,289673.265359983]
["8.48_545.3052m/z",545.305161869575,8.48346666666667,"pos","Anadur","HMDB0248377",{"$nulls":3},"21917753",null,"PQKRYXHYWWQULJ-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroid esters","*",37.1,0.415,"M+K","C33H46O4",4.72772832339116,2.79777345122226,0.00509590157178348,0.0248892201401917,12.3560296953376,5242.46531291499,58242.9286960435,11.1098357775606,2.78597719902934E-10,110.411631722528,2.78597719902934E-10,2.78597719902934E-10,58388.4358112985,2.78597719902934E-10,267561.04101842,2.78597719902934E-10,74540.3034719347,2.78597719902934E-10,98203.0516515165,350804.172622785,102189.401545189,83262.9413515072,192881.090693547,40027.3760020043,6250.79052478949,0.38021725016094,2.78597719902934E-10,64219.6010912913,508127.070992631,1.55237659175652,1.00138573422083,75323.6956030259,49.1875408505593,2.78597719902934E-10,0.812344078090275,2.78597719902934E-10,53.6486161213511,2.78597719902934E-10,2.78597719902934E-10,5.89556030050292,14.7849168446795,42.8605005927966,2.78597719902934E-10,0.589692354931069,3.33327109207297,1.10580538834645,2.15891172537326,2.78597719902934E-10,2.21737218885282,66.6011499842598,0.198320190465028,2.78597719902934E-10,2.78597719902934E-10,103.144960285401,0.591101721073014,2.78597719902934E-10,46.4124719752049,2.78597719902934E-10,47.8801559358145,2.78597719902934E-10,1.70732330672445,0.29094671565353,2.78597719902934E-10,0.88601868838057,1.68510179415802,2.78597719902934E-10,38.3446601091461,2.70389973487078,0.886891565821734,1.7793659138131,2.78597719902934E-10,1.24665939299777,2.78597719902934E-10,2.78597719902934E-10]
["13.11_773.5921n",796.581344049321,13.1120333333333,"pos","PE(18:1(11Z)/20:0)","HMDB0009031","60449",null,"C00350","53479630",null,"HPHYBSPOEJMPAN-MITQYPHISA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","*",39.9,20.8,"M+Na, M+K","C43H84NO8P",-1.72172583682035,2.7960921251533,0.00576392688745758,0.0273110106146816,0.185482075248879,1.13719690307708,497658.802559604,437618.851417038,402476.047496945,460538.603433735,474982.429983851,398232.564360016,543863.83718102,410330.019627807,452015.078947591,402579.436689826,599362.541995252,572085.121943595,589337.312504938,607978.310999488,577820.804117104,507511.317929305,575827.368442688,553467.693022223,750262.14507743,348640.304844912,352870.174833897,430177.045208048,497174.679945821,549212.56207831,386120.964934792,489939.779099037,409501.707581122,451998.979094391,649619.768148427,528948.927360212,504524.624280811,510918.97562413,533193.599988869,420508.583626732,480719.174064598,458622.659113484,384878.038538345,386561.391762164,350804.986529252,428861.213633336,507343.615126185,551709.893979605,478078.014829377,369569.584990024,446322.16096128,452632.997532552,425362.547183306,372923.028938995,469984.948217848,507440.18689262,391238.535476956,484095.387797508,511124.496703949,408632.438444232,443942.710290533,355832.219798616,569504.624159071,452523.773717702,298585.066385955,623688.995090844,290591.742725345,563062.401332289,395385.858569136,493004.097053042,345180.855057851,400784.23606053,328927.110600238,494222.279270087]
["10.49_425.3498n",426.357062959419,10.4856,"pos","2-Hydroxyhexadecanoylcarnitine","HMDB0013337",{"$nulls":5},"HOAMADDCQBUDDY-JCKUYFFHSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",65.8,41.2,"M+H, M+K, M+Na","C25H47NO4",-1.69851192299353,2.79320989814811,0.0160366236566444,0.0581262169752802,-0.368985293661245,0.774326921036218,205280.091467168,265107.780564388,210389.954793654,166977.776328414,232819.418232393,98717.6771745944,309200.711497324,164537.979315728,138599.070226152,132675.315482708,242690.53178211,254411.924098887,245377.706758727,127776.243761032,241241.07801759,137976.306206024,166939.580703002,290665.327485975,239731.031369117,99697.8287014066,160509.841385067,137418.696335875,207424.223299884,180965.493335925,61293.3175975974,166140.057675048,159948.810381202,136815.065748789,229420.364488623,231094.097816149,283538.127823131,132405.238383884,181718.713916293,237618.100088325,767507.408205922,183875.160160169,218867.24174147,307681.871487739,306101.379467703,176567.630717643,377082.587949974,207861.023885097,296954.465962259,284030.76999638,257247.772181344,309443.631183377,249937.139201901,252514.730683503,197652.592241036,330518.022455148,253275.035047884,279977.770011453,285921.398887343,309903.194275425,194925.170945137,180176.974186123,185794.437772203,295628.824460608,317182.453702152,378224.94938648,248127.974682685,226663.284776317,261842.989444773,509621.222111612,327667.054043422,223471.253909545,147413.286524102,166403.465142809]
["0.71_113.0587n",136.04792415079,0.711183333333333,"pos","Creatinine","HMDB0000562","8",null,"C00791","588","60-27-5","DDRJAANPRJIHGJ-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",64.5,59.1,"M+H, M+Na, M+K","C4H7N3O",-1.84317765702833,2.78743425176338,0.000711618057374109,0.00542425571879441,0.331867131783948,1.25864125079493,269378.040950402,214022.892369267,309813.502855084,233397.912491358,337537.660503907,337684.269375943,258646.942199207,148476.77606278,247478.143821247,269038.270482977,224414.66037992,306744.380421939,174568.151640404,351322.676350874,349802.2254683,227056.06837955,411108.277477073,281732.059700333,164140.957614753,229740.410422367,208290.783767007,443640.083465481,210228.512029939,160482.660076724,246643.602232845,156768.730099799,301392.537442557,280311.874518244,202013.532729934,230775.518470903,508210.917446154,266879.412281048,279649.059383127,257404.287041924,274080.494729578,241059.29600003,226403.865010341,222854.165091489,190821.388276448,206434.123157097,195104.272158439,275842.832822821,236121.147662684,242202.526046195,242093.793306442,188112.964735095,278408.129919118,211923.237105853,224891.951919496,251840.24874337,190790.12067379,140396.084097352,175639.733787753,186865.317403631,144012.382700323,184745.856607419,155244.514818302,218599.63758694,243956.304374193,242253.69351143,159431.07606617,202197.080456171,218075.571009574,256837.09878292,260761.042252751,220576.730722143,227652.654256933,200606.607123114]
["12.50_269.2257m/z",269.225730060618,12.5001333333333,"pos","Vitamin A","HMDB0000305",null,"LMPR01090001","C17276","445354","68-26-8","FPIPGXGPPPQFEQ-OVSJKPMPSA-N","Lipids and lipid-like molecules","Prenol lipids","Retinoids","***",57.8,94.9,"M+H-H2O","C20H30O",-2.26136952344847,2.7668990060875,1.93418277482024e-09,2.14758760764208E-7,-0.732011321654081,0.602063965856484,57139.0764093003,94905.3250978331,95306.713603891,15921.0186951083,101978.598292662,110596.25688256,62910.4225627937,76091.548042451,46793.2727353472,16654.9154082417,24866.1232328285,57327.2070017612,74601.0516510652,46262.0574864169,34546.2947955343,52851.9340841353,30957.4676872775,39730.7537364532,67395.4186584753,43868.9152832314,65387.6863529889,65904.8140622786,42008.0708380898,50056.5525977013,85443.2249842316,50998.2798583988,91951.5255982276,46608.5008195809,42264.5118102468,27825.9860520689,86689.6753668572,88350.0390236097,78030.7163155445,26318.6307242531,39091.3372625973,122198.417343901,74672.2256378951,83912.3342823866,90046.1462756699,66687.8387252247,94240.0427994815,96354.3163315608,99851.2605902817,103076.522637164,84852.8553758918,99221.5904749414,105911.887558864,104519.492686749,65114.7877708728,97010.9547073989,102641.305255415,69483.74521071,90059.7852268679,79623.6704090792,73800.7662681892,91801.1669086507,76916.1112752557,122100.822883877,106106.181016657,101956.95472104,107449.852742258,80675.8392540469,141323.996572672,103519.228815898,88645.9411023791,99790.2305675066,129431.283770977,78878.1730287286]
["7.13_313.2248n",314.232082847184,7.13046666666667,"pos","9-Decenoylcarnitine","HMDB0013205",null,"LMFA07070048",null,"53481651",null,"GOOOCIIXFLVRAG-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",58.3,87.4,"M+H, M+Na","C17H31NO4",-1.60287822379855,2.76373244477291,2.12712717661807e-09,2.28563245977896e-07,-1.08207859310964,0.472347787899805,28131.7805108998,59557.3457345525,32257.7083561459,28466.1946165439,72015.5312097844,25583.6443963502,26268.4767713709,28846.5252669091,35338.1277292029,32752.9057707946,19284.2628739897,60359.0868206549,19887.4933923269,25481.1637401639,19211.3584547792,16780.9715782691,23179.074567932,34800.5451083718,17424.8140201856,21415.2078276223,19496.1568742374,28778.1909905967,25603.1388936294,24613.0090303881,10290.7143663781,17317.618781147,28240.9523372761,27309.3937053098,19380.7691037656,29789.1290226282,53803.5973225229,19188.2036801533,13611.8667103219,22602.3697715576,48970.553768383,91161.6060061116,66586.8746789176,61422.3372666349,48820.9445482526,49540.2135650601,67045.9719639407,64731.0423273486,36438.33459327,35852.7990824073,61994.6588333325,31188.1983197428,63624.7995559012,61426.106792363,34060.8253344217,43959.5051873202,68384.847534804,49149.7515830443,56620.6978813397,52188.5081171032,108051.112094617,32932.9808072715,27776.7119531964,131198.025787596,69928.361902383,86453.8531202224,82479.8059529308,61549.257021874,61674.380690713,55592.1335585411,69148.4265931703,50725.9726000209,43519.6576084934,40163.7063778883]
["15.00_577.4813m/z",577.481250102635,15.004,"pos","DG(18:3(9Z,12Z,15Z)/15:0/0:0)","HMDB0007300","58852",null,null,"53478142",null,"MJEVTNQRFPLLCH-QECOYPFHSA-N","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","*",49.7,62.6,"M+H","C36H64O5",-2.43111797147696,2.76365604084654,0.00118965354163564,0.0081041589410382,-0.831749102173035,0.561847653451703,50322.6196468698,89566.3074104048,113808.274849322,95549.7785137969,54059.0720615257,66931.3096611301,29566.6762012979,122783.377473278,6147.84812794381,107298.054948174,17506.6509942778,7778.62790636394,82285.4268017015,68918.0290333827,52886.9796991766,21993.8266169979,27175.1438076108,56963.058903508,33124.6535013785,226551.731172021,105630.945979903,32696.5268613993,45153.3660121529,17095.2825499449,18040.9825617425,26915.2587892681,29491.7695776272,15813.6078907301,36262.708776816,5779.8531992155,14080.0315598906,17006.5286881994,27283.7086284692,9411.55408235086,68655.8029161054,124472.668620691,48830.1650170633,144169.49476911,12876.5146635011,164333.561283092,133138.93080043,68774.3598740202,32467.9225763056,97604.8148367447,106512.52065082,64316.9016696365,45599.2917586508,28487.3948893047,80841.6004419599,173925.655720638,152428.874149439,53819.0192274337,34779.1005344895,68416.7921299147,64762.2985233579,81060.0982255608,110209.6975905,70727.5665589135,144783.465258178,68689.0827060821,53464.099737351,110715.062906175,87242.5845764371,83188.0624614678,40642.1798921468,95436.5862609534,87051.160021304,221920.616211686]
["6.73_419.2078m/z",419.207806820898,6.73481666666667,"neg","Macrophorin B","HMDB0030456",{"$nulls":3},"131751020",null,"ZJZYSAJQOPJREK-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","*",56.8,86,"M+FA-H","C22H30O5",0.747953029211871,2.69851037441334,0.00522596841954783,0.0254127019058596,12.5317454195235,5921.49366918674,49961.8134729204,8.43736669565369,2.78597719902934E-10,2.78597719902934E-10,26438.7066583283,118246.805637113,105602.556129061,2.78597719902934E-10,10545.3096363175,2.78597719902934E-10,107301.638588536,2.78597719902934E-10,2.78597719902934E-10,302676.462396049,2.78597719902934E-10,42951.8351194575,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,1723.60106233714,84014.3379922359,479491.197878984,1752.6742445775,52.9234298608789,97162.6302201658,503.765786521202,49405.2510530234,2.78597719902934E-10,60509.4605880912,112626.746941103,5260.21692200066,6960.85362228551,35512.8707003205,2.78597719902934E-10,0.606117460129985,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,245.108654312694,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,0.429500576965073,4.56083088754772,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,1.05841003315726E-3,27.5469383453153,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,0.180000956642908,2.78597719902934E-10,2.78597719902934E-10]
["11.74_433.2360m/z",433.236027959884,11.73545,"neg","LysoPA(18:2(9Z,12Z)/0:0)","HMDB0007856",{"$nulls":3},"20835023",null,"ZQTAMPRZFOOEEP-HZJYTTRNSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphates","***",72.5,67.2,"M-H","C21H39O7P",-0.0825015906653423,2.69685223961263,1.08707547696529E-5,2.38226869327065E-4,1.16903973801697,2.24861978334961,67631.6994991138,30076.9832231786,125744.555642321,44185.9316850881,78797.0334911506,41086.4415792269,147829.554026387,108596.258753106,12764.5301686449,5278.90886743879,39389.1717016031,19377.69369662,37122.3292549062,8895.75008528782,22545.7013529669,55478.6944262684,69812.3949179817,76182.5481286562,72048.0959352427,47620.6360058669,58645.860327802,11795.2883010723,11415.6916616188,93604.3244479608,94188.6503019347,67027.25908119,120011.053958453,65337.0257689895,85720.2538135905,90191.6326648701,53083.7088386052,48702.0845588283,178919.422418969,116197.917047957,124249.68056015,11113.9881871141,41016.4138173298,17359.7681688996,33617.8286084425,43455.6343671515,25130.1708083309,26408.7335133396,25051.4686044406,29606.3655048092,26750.9120335624,16650.1528965007,27644.3661382292,23070.5977572989,18914.5455276007,37179.3443601858,27690.8990653153,28640.5122601617,27981.3636042096,34203.6928208642,18520.5878971407,25568.9420849846,30734.0913041447,18099.9108497947,42345.5576991643,21277.776358872,34736.5671288581,27231.2123255561,40667.5982673569,14917.7330515033,40618.0315500538,33079.4685799557,37297.7668424986,85958.4443812255]
["4.84_661.2535m/z",661.253460021554,4.84415,"neg","Ciprofloxacin","HMDB0014677","1772",null,"C05349","2764","85721-33-1","MYSWGUAQZAJSOK-UHFFFAOYSA-N","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","**",46.4,0,"2M-H","C17H18FN3O3",-8.61116733047045,2.66308226465958,0.0042384724192308,0.0216539135405795,-0.449856099648634,0.732115868586186,161016.571955604,219933.181159628,224543.673612762,222345.371982274,14250.4747350493,31124.7799467,45511.8155887543,112361.396612016,216494.428128917,167763.806779898,196728.081777375,73929.171995485,151932.508583542,236102.412250822,161951.184046896,44371.7070184526,182490.736346791,159154.066796613,181818.28155995,222665.242357482,48603.8088968321,360280.441833276,98073.971122018,105858.846648283,156676.041926999,290977.660447024,236687.302547531,142042.26543126,96743.8204437389,218411.967348889,315914.018121832,153101.297731319,132523.401126931,246167.069194477,65945.8215947512,326735.158179889,259889.592369507,260082.748697204,259892.23619248,108917.738573399,58256.2284158603,246097.257771628,188193.471980378,93465.5850305718,202158.349562087,243453.296562263,315722.926780617,213697.683925925,159758.170138396,253489.026163219,203538.541676729,232137.238817807,382867.486932293,344559.256692457,288220.476536645,150662.998575617,182323.052772052,231616.663515518,206825.881172043,151091.625808085,202499.180303524,190996.54340712,130517.149727342,370663.358648712,172063.38758102,240453.020724892,137448.428333107,249501.216699343]
["12.65_551.3941n",552.40138562669,12.64895,"pos","LysoPC(20:0/0:0)","HMDB0010390","40311","LMGP01050045","C04230","24779473","108341-80-6","UATOAILWGVYRQS-HHHXNRCGSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","***",67.2,79,"M+H, M+Na","C28H58NO7P",-1.7784654012714,2.64132816149887,2.81444268417147e-08,2.23212109070837e-06,-0.995728709240229,0.501482510075085,29469.5536193112,58764.8682202274,24994.5078244762,11902.4076214291,45106.1123255518,28558.0697087779,22326.4442870698,45394.7252048845,11400.0373356045,2983.72046697623,27275.6320066978,19934.3121571205,37389.6368611627,14655.4595192938,13379.0418361512,41519.5181560291,24906.118744959,22627.0433450897,60452.7969174789,35452.5891543017,35276.5608805737,16690.6573508845,39572.3232204204,34392.900264158,34405.3500093746,43853.8978033916,46098.8575742598,32768.1910876245,34639.2775913038,20851.0073880811,37492.2712730741,14243.8224348479,52907.1216302673,16781.6411520954,22263.2163038598,62173.8916903436,77315.7805077358,107383.924801077,44901.9224748847,78384.4851105469,139424.098134947,52859.8002240033,51161.9972938544,70680.3856303875,96127.0341669567,26115.2874611016,38681.5135032809,40176.6440849954,45914.7351648835,34376.9833457987,62413.029947221,57430.5421190408,41753.607822513,63635.3022068806,34107.9928282989,45044.8203528366,56989.5442134265,49736.698714689,47236.8945438115,41109.2304576374,72629.685980272,64796.1737446989,40221.7371238218,50477.5003293468,81594.6065722988,54534.1029295895,59426.3648317946,50424.3329545286]
["13.11_105.0425m/z",105.042481700861,13.1120333333333,"pos","Dihydropyridazine","HMDB0251325","321650",null,null,"426233",null,"BKWQKVJYXODDAC-UHFFFAOYSA-N","Organoheterocyclic compounds","Diazines","Pyridazines and derivatives","*",41.4,14,"M+Na","C4H6N2",1.98431070456139,2.63439049739179,0.0170765684484721,0.0606418438186145,0.147878354382285,1.10793892438094,411541.418113036,371447.747756478,325579.493799624,356927.737388426,440198.017423135,324154.110874735,475402.514468559,361825.580913972,612242.427598491,361494.56916529,427096.63463422,432657.607396159,394699.163209668,468166.731358108,466079.46749593,534014.466715327,432582.432997271,453699.29649766,518205.587202653,284202.712279096,332835.55128553,501804.636866688,343065.202595445,325115.649394594,390873.02650292,454104.429850146,398591.740872273,386438.116143926,402663.728880496,379064.74801267,348547.797765584,516357.00243265,411860.899881736,383823.787576755,336491.928250461,399176.078809628,335208.780819356,308002.673978707,413892.560423376,372041.436054529,405297.402196432,370870.074643171,427814.013034094,270891.002018783,378991.87944875,401187.711863823,300446.385288058,533925.565559356,323128.719297961,392399.588646344,424681.651041965,344888.235245164,410228.271810904,346227.441541407,327689.407211757,293137.026808882,372860.372814714,492562.387057462,334063.578635275,402020.880101084,390270.14620921,371542.258799922,381812.018685323,425916.56628278,394894.340331287,346988.912969527,315600.275939608,249118.032395151]
["9.02_343.2718n",344.279078339816,9.01935,"pos","Dodecanoylcarnitine","HMDB0002250","6573",{"$nulls":4},"FUJLYHJROOYKRA-QGZVFWFLSA-O","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",57.5,93.1,"M+H, M+Na","C19H37NO4",-1.33061091525906,2.59406599312344,7.8722038871777e-06,0.000185973837930418,-0.877936146693367,0.544145304031826,37280.1602129583,68511.4066715861,43994.0673573853,50818.0683210515,75040.0414276063,21333.6881887615,57612.190667528,44350.8781767384,49981.5119820158,41879.865949788,23412.4038242486,41765.0369524752,39106.4597975265,30931.4458690758,27242.3514515342,14718.3016938977,19782.4639158749,45314.4409984758,11569.9227498054,20616.8367673391,19803.3496596291,25955.9609814975,38245.8990951075,42664.8323895276,7461.97384920043,20178.1408740108,23892.4042763116,22537.0228288183,34588.8575876063,28967.7539941161,111759.204971937,17139.3668826404,15199.9762931203,24746.2996063453,137634.267646627,68237.0388656741,47783.7223213604,91557.3177089591,48751.3871606267,70716.7610393229,89132.2446951486,94942.6976147857,59869.0701253087,58059.0430604465,47274.6986114152,80181.5232681167,85414.1733835982,61953.897466033,75153.3714530885,44274.9188613733,74326.2087888224,58975.4362121411,71249.0344285333,62205.5606203944,104138.717351767,34973.6252990968,22991.1411119148,97734.194478217,42896.3080080674,145195.680880465,42648.0684076976,63309.6715785556,58306.2671204299,86775.9356695605,111027.708831884,62415.2709529101,42711.9113891238,55693.8133975029]
["10.69_431.3150m/z",431.314962460558,10.68575,"pos","Kuguacin E","HMDB0302099",{"$nulls":5},"FGMDCYOFHYPQLK-OWVJKPIWSA-N","Lipids and lipid-like molecules","Prenol lipids","Sesquiterpenoids","***",60.4,48.6,"M+H","C27H42O4",-1.44965042035788,2.4862246665716,2.13436180632365e-08,1.86491562786656E-6,-0.827565986703567,0.563479103041498,37611.9708957343,66749.5399433904,25060.8103232256,38238.2451997972,21687.4726627472,36322.4002816046,25048.7726925265,74661.8379998643,27836.5683163319,21316.2577319547,25671.4001380243,28024.3110023886,35469.8605404583,24793.216713256,21191.8342218717,33118.2838134672,10225.6446194742,16991.5995485549,45064.3558682359,34934.8371963021,35443.4491817762,44293.7590530669,30838.6127237505,46016.6904296313,44756.9433173914,29317.4653128255,45454.7266414232,34696.8808835952,59825.7249432152,41917.5015354263,26588.7441867668,62851.3892151717,48093.1043296883,58404.4595724755,87037.8793629418,111246.78156056,50799.5969249196,82811.3818495075,71998.0046265947,64282.4292747759,52311.676575021,50777.3013824374,48410.4887057652,75798.5470871586,47576.8439412341,54026.5584388318,55875.5773815237,47961.4434674998,102844.558499088,59846.8492303513,78726.0383483807,56486.1469175098,67091.0083250225,46127.2661179292,46019.7751477157,64316.3417559692,67023.1914362489,104735.804088717,79197.5699168864,80294.3870331702,48970.9038890772,74305.2705776782,67168.9793768264,48174.5482322181,52495.8172033419,122111.07381266,75565.5839895011,47357.0730177624]
["14.15_593.4788m/z",593.478757540129,14.1509333333333,"neg","Cohibin A","HMDB0031168",{"$nulls":3},"131751147",null,"GFUJWCRMULHYHE-QOCHGBHMSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","*",38.4,0,"M+FA-H","C35H64O4",0.171636760600174,2.47941157598934,8.88572088328002e-05,1.12114910084113E-3,-0.806726642218185,0.571677477279433,41542.3365327592,72667.4360698201,64824.0042503374,69574.6728913102,65962.2337085227,53999.3490999958,53636.8574445686,108449.507552241,18032.1172398782,28406.3727362652,24688.9633513088,7118.66200840566,51819.9667715523,45732.2150959667,63192.5585809308,40116.5804362098,20525.292151188,47582.0476871778,41973.2917231824,140013.876424715,57622.6469463211,46642.5927027894,35431.1637915428,18832.9530262929,28474.8008365842,27277.1791697325,18115.198064028,23160.3714482637,33297.5938430016,13997.4902732583,15660.03636785,24356.0423934324,15360.1254174469,12606.2753929897,54414.0667537635,100452.686741945,41965.4458543399,99744.4333497157,23038.2927140254,100316.743221256,134872.084699152,56392.1995293504,47120.4501227835,67699.5167385165,65065.9004321799,51244.6102160256,38501.5900845516,97050.7717024672,58089.3421869188,125953.757625649,155474.921558367,45959.2273600044,54451.0412873181,50271.9092082752,46642.1917932582,74336.6085728772,89489.6649415982,69092.9212719736,72445.5601016421,77580.3637365552,36708.4333570527,111497.265746819,61029.4688155584,44357.2648521459,35897.6549209653,79956.0261189131,60906.7496782205,124420.291763643]
["6.99_369.1742m/z",369.174205414216,6.99223333333333,"neg","Piperonyl sulfoxide","HMDB0258607","72888",null,"C19147","8442","120-62-7","ATTZFSUZZUNHBP-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzodioxoles","Unclassified","*",39.6,2.04,"M+FA-H","C18H28O3S",0.26771753215803,2.45918559775357,0.0120825920150474,0.0469627934680548,-0.72905332741745,0.603299659231019,56040.2022770278,92889.4976477493,140737.464729145,38555.9998160219,8496.24851385259,43065.9553174259,6956.85769452485,41817.6583526352,2569.58952795984,8454.94192858348,16992.803011491,39600.7987145867,73194.549264538,12362.7076622344,134614.927930634,33005.7058826919,52576.3394720994,62717.3541217102,7406.81681103862,168574.100232904,97859.4085494433,43431.7280865604,115317.230052561,6157.60907670823,13605.232579089,20839.0938726649,52631.167679474,114401.150858705,58557.4816487099,86134.5038595382,251064.872712973,29437.2938193734,44425.2423132013,21441.0499290586,2322.79111977899,261184.481420491,50118.0213354323,108214.025359,68296.290840066,22159.8766152727,129155.222384593,143179.853470318,106238.987963915,71766.1602229341,100846.010383043,93138.9700899177,177713.438666377,66393.724183556,131896.069326884,11806.3783739777,97283.5771496912,63194.10227289,12228.1636316067,163354.725114601,141898.119048605,86975.5345044015,71387.5607680096,63318.022988128,73762.923967473,100820.015437197,192948.002035322,41181.1747987567,14711.0526099894,81656.7261393983,92523.8265976033,32931.079781302,2813.67357770964,190257.631317266]
["0.76_380.0194n",403.008658280365,0.762083333333333,"pos","6-Thioxanthine 5'-monophosphate","HMDB0060418","71265",null,"C16618","3081384","3237-49-8","WMRIOGFRJLQENF-UUOKFMHZSA-N","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","*",39.4,8.09,"M+H, M+Na","C10H13N4O8PS",0.701485070696459,2.44295219314047,5.53046377881481e-07,2.63171069246173e-05,-0.680901998991539,0.623775157017075,42578.1980645217,68258.8871735978,74723.2290304516,47028.4197396121,33042.530607969,25433.2706916518,15549.9660380057,27804.37805038,39284.3409939476,64253.2284295917,56467.9205629166,53976.7992536821,22444.2594560043,31683.8475589688,25634.0295702982,14676.8453631497,15831.6432446404,56769.4379673605,66063.0361278945,76211.675547024,28759.9366393286,57756.3185685714,35414.7486137053,33826.4965313519,31660.7050827113,32475.4478273572,58233.8678631414,41936.5724210078,22535.8847674934,59281.123074398,47956.6923996528,90706.1555731435,36694.3506665025,35937.5430979538,45025.8347693497,104989.258466533,76015.9712520248,80547.758394257,101752.676313967,59144.0560547359,84943.6437317021,66916.6484685648,64468.7754214657,69661.5994907813,60032.5519699225,64002.510042733,56207.6884090189,84457.77741783,61559.0438146084,48721.9856125834,59086.7839148531,40979.5351204293,57867.8705022278,79767.964370203,47400.073954755,58077.6244717491,38761.7166355462,70885.2402414413,99999.2034765778,73462.9027512979,74404.8344672603,31296.524590922,64041.9780595673,88012.2144764368,49793.0317907106,101241.360856848,77896.0261804144,56146.4460067593]
["0.69_203.1499m/z",203.149903627408,0.694966666666667,"pos","Symmetric dimethylarginine","HMDB0003334","44873",null,null,"169148","30344-00-4","HVPFXCBJHIIJGS-LURJTMIESA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",64.5,54.8,"M+H","C8H18N4O2",-1.72472068612421,2.34215600840407,1.65340235248588E-5,0.00031292518387105,0.527591338110764,1.44152048444148,75692.8022404227,52509.0021663828,81646.2784352443,50085.0968229549,82840.4769539427,90001.3580716317,88429.6442883153,32600.0058510453,113929.141629049,74940.802501548,56105.7969711752,111529.667340047,54749.4146130374,125169.019883021,54505.016022758,77174.108557712,106752.537755112,104732.005378678,47613.3630507277,59447.9374880616,25276.5425769189,94740.9263651155,58165.6730872933,29406.4483541615,71557.1797471214,73002.4713516495,71193.2581331328,80496.533191013,60684.4005243597,56009.210751365,117086.20291065,93390.8066835931,84122.9912508461,74434.6767296642,96043.4806630038,62228.8079635322,50460.5731768346,41086.2713501921,35295.2409814735,49138.7698211008,49636.2204615059,66939.1276222691,66368.1219087129,48031.7052438294,42608.3010764194,75314.5530157862,71779.499267046,62454.0476534015,48324.5401663498,88948.707728154,53666.0723316332,40665.2572266896,47804.9340362626,42344.5480550762,45136.7038272864,41851.5737582852,49436.9553131141,60434.3357176113,62440.5938051634,61816.035888258,25362.0571754123,45323.3329632284,37732.8021240596,60445.9283211544,42651.8719339716,53420.4142371046,56315.1655510124,47334.0017887007]
["2.65_204.9807m/z",204.980663681128,2.65251666666667,"neg","5-Sulfoxymethylfurfural","HMDB0059752","435498",null,null,"154718",null,"WVMJEBICTINBRO-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","*",51.6,67.8,"M-H","C6H6O6S",-2.76130282821147,2.34005130355574,4.83233620798821E-4,0.00411079389892032,-3.31746715778608,0.10030968714033,3898.73877560712,38867.0215883828,53391.3643097314,23.9887892544041,2755.01631764536,5344.01299679327,57.4760100055743,4410.36431303208,120.316723054293,355.162129991886,52.5439577991161,549.617918324355,738.719254849388,39.2372949059939,354.756355752718,67.4071487884316,30.7103358256055,46.1724486578537,40.5881112290204,1778.40486427502,23.4895414437131,6139.71954203317,54.6116812746384,252.289832701361,85.5445768832966,73.6675055272335,65.1164589174206,166.700330578383,791.864111505541,45609.05905154,2043.01290314459,1844.22643708646,44.8249404048113,940.111971716848,368.281430361824,430.187591476412,186103.893123728,107964.792490503,10655.6845337351,28149.9635442047,118738.079831827,35860.0053953361,25114.0066220651,178765.93740348,17601.3666479069,336.085317073428,20282.6413802637,39192.94102842,22156.5258080804,16193.4975258659,12626.9269530919,5115.04138784079,100800.760393161,4043.46967272651,148614.886048904,1996.1180620069,3369.40054374882,7169.09770441273,60.4556436290258,1014.67865267134,4213.08630047546,367.485086392436,5851.12127730189,11.5859200275628,63335.9710966332,42603.8369272835,63898.4933248036,9973.6891775572]
["1.00_132.0243n",150.05815608266,0.999866666666667,"pos","3-Methyl sulfolene","HMDB0059667","343032",null,null,"70941",null,"FAYFWMOSHFCQPG-UHFFFAOYSA-N","Organoheterocyclic compounds","Dihydrothiophenes","Unclassified","*",38.4,3.02,"M+H, M+NH4","C5H8O2S",-1.28720820583909,2.33894046951926,3.81050724456097e-05,0.000579579891855369,0.639825394612197,1.55814057046831,62845.1282861086,40333.4137350779,47146.9904567751,61490.0133233188,60728.7840582364,56089.8779363472,96142.5661159168,51591.1411465752,50512.4055405254,19781.0374033826,81064.1998107557,54010.8124266925,56258.8446762939,43731.4530352457,41997.4717016739,106763.471902416,30770.4609006576,44779.2438906195,38511.2915055682,33363.5623485629,71600.7644476138,60431.1294412912,62950.8653156172,43940.1175016706,90931.5682275744,84177.7753323764,54188.5411145525,51670.853010412,61168.5145507418,61932.028788416,64468.9303720486,170401.031371233,109172.038636961,53441.3490061377,58680.0981453757,38646.4968234123,42314.4833342139,40589.4640556198,53400.7632272085,45832.6663930717,39510.6309503301,41860.1484216444,46354.7648539076,41905.2272065015,48641.7066175827,26675.7796688045,29503.6121893547,40066.0963998332,41390.5991923847,34718.4946710385,40804.8347103991,34619.7527428145,33624.5542706446,38644.512500476,36794.6585840365,39534.649010386,28567.675240996,47307.5091227021,47100.9546306346,33610.2966411169,47176.9242565949,58965.4666282931,59291.1923125902,32727.8872011613,37870.8345048522,42689.6010461988,28512.666456593,31747.7493921717]
["4.80_351.1579n",352.165160256569,4.80473333333333,"pos","Phenylalanyltryptophan","HMDB0029006","85904",null,null,"134906","24587-41-5","JMCOUWKXLXDERB-WMZOPIPTSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",67.6,93.5,"M+H, M+Na","C20H21N3O3",-1.16107747110144,2.28546569327706,7.27398460250198e-07,3.0670433811309e-05,-1.11539914326086,0.461563439237346,26779.7571687333,58019.6672704022,45524.25505225,5686.95467707277,4222.9947776372,1018.68308102827,40031.1176974087,108723.61338024,9312.92608635485,753.718731894287,12064.148595943,4266.99856610855,30813.9689301379,12674.3525512663,4489.91230587475,24984.8837808265,22594.8954865275,40329.7472335823,82372.7126819655,23999.7927831066,23739.8551775553,8583.06609145449,25469.5213549351,32383.9285578068,45182.8562563532,15660.1115152427,34044.8487187688,13853.6587251846,13435.6010170679,8657.01290676713,8134.74792964581,37907.0787943056,121065.158687599,14575.929206542,7172.93522974607,44811.3295027356,63226.7222915133,53477.9310313792,53911.1930405463,37365.7627869219,22957.8704838316,39975.1215306991,60941.750059586,45423.128532542,42890.2393628562,74809.8096515665,44603.5853069229,77492.2128609124,56743.1751731316,66963.834252848,69266.0487712759,48586.3027801691,65738.1628507988,60023.2228140155,45728.6853690187,46759.2174730302,57807.5311784573,73640.0103265656,58072.5697089759,73565.5130101727,57432.6675234768,64774.6050327147,61814.1486078977,54421.7286320574,52165.4764032223,59430.6905427404,116192.663117881,63636.1099128115]
["4.13_246.1697m/z",246.169730829497,4.12808333333333,"pos","Isovalerylcarnitine","HMDB0000688",null,"LMFA07070076",null,"6426851","31023-24-2","IGQBPDJNUXPEMT-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",60.5,56.4,"M+H","C12H23NO4",-1.03532529600215,2.28142116517091,2.02679156209375E-3,0.0122318345765087,0.900412782819701,1.86659997685808,70645.0128374725,37846.8947355203,45498.9244705446,74312.2829722347,85874.7996891515,81669.6366512636,78572.4228035489,42406.4177757501,97065.4499183075,46275.3519330823,71211.7244986341,71427.7201786392,49324.9816218905,77293.8817439471,68477.6192254237,83535.8476149646,43504.9043008532,27256.4958722576,36817.2212802837,46302.3085577367,53840.5763884732,77178.0817563987,29485.3893132262,39763.8508411222,346799.124379844,42141.9064488666,51578.6524815954,57808.3825777566,32917.4407127898,45974.8966355925,188645.002986166,48673.688402787,68511.0551019182,37901.9503379792,83237.434163562,37308.3374037045,39361.2731561323,35815.1618752015,69212.145594546,22334.1358595773,31538.6539375765,33740.0110362571,48874.6712342882,48225.6365488948,27961.3451625167,20317.7080952771,36959.740520045,32574.8707056334,45573.3061585097,48107.7545402556,41838.3275589238,37162.06659426,39748.4731730323,41631.6503174032,42573.3290207087,44922.7994340189,24310.9002503721,39500.8136313763,42611.2253971468,38875.7909518655,39185.8864022955,24365.7292144465,29784.6244620957,36683.8231278329,36194.9908453824,25821.4317639893,29087.5921786171,56743.3201199877]
["1.36_133.1051m/z",133.105111930675,1.35511666666667,"pos","2-Heptanethiol","HMDB0032303","88347",null,null,"522071","628-00-2","DAZNOIJJVKASGS-UHFFFAOYSA-N","Organosulfur compounds","Thiols","Alkylthiols","*",37.8,0.279,"M+H","C7H16S",4.26947164207046,2.27422117961101,1.79096803410076E-4,0.00194322948585981,0.325727255679864,1.25329605997024,127863.516225264,102021.797011234,163505.70448642,155576.418107755,138994.91829968,84433.478148779,115727.275119106,101167.914955249,98670.8940788336,103470.015025483,133923.639162477,101954.853906234,123179.098032477,145490.6231522,106612.695587293,160468.37591231,149719.612162515,116857.735961041,129084.756570852,112239.469601937,153167.339083088,136086.5686127,82393.5982459558,89182.4340501317,135167.571355985,127073.119966426,110033.239181541,138042.666155737,124213.760680606,190421.023378494,151984.708257251,84150.2894647374,251736.898361109,100611.533065979,104153.807303326,97280.8594745014,84490.9107326918,89419.8360730213,126258.486551192,94449.7736487712,90003.6788446631,89091.4506730184,127202.292282532,110031.451238922,109625.237178189,94529.8718124146,91714.2325215437,96128.9104682108,128000.330463699,99698.97683127,86736.9083045682,78801.0962198267,97486.1870655849,93024.0931563917,104773.85179737,106761.124450711,78780.1210781901,138771.560906648,112531.548687852,88223.7187348272,102427.024027613,120167.089241483,120526.923283641,94636.0718279664,105211.981228856,109350.135628261,100506.70724825,100076.859688047]
["10.49_590.3468m/z",590.346795069104,10.4888,"neg","LysoPC(20:3(5Z,8Z,11Z)/0:0)","HMDB0010393","61703","LMGP01050139","C04230","53480467","1199257-41-4","YHGXYYIGHBPDMX-BUTFDPNWSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","*",58.4,95.5,"M+FA-H","C28H52NO7P",0.829854748944302,2.24458912186741,0.000230740155018941,0.00230118400110207,-0.605337988578453,0.657317368490422,51951.6993253037,79035.9449113822,70425.8280644828,49424.8109881364,57227.8388397765,88800.7025613358,43333.2026430505,70662.3246194931,22455.2417896285,26102.7267325744,60599.336866918,27536.9874454596,57525.5953652813,28194.427050959,30326.5154861847,24912.521067928,68692.7587037568,30339.2576751414,85938.8529074257,82012.6322001417,75780.9315591332,51956.3500267286,56240.6311589683,92259.1182925967,48941.5897211442,48813.7686923249,44123.379817581,52952.2611666258,62501.813445251,29510.8375560312,48128.8264693519,44840.8944929542,62426.9107775931,41031.8675984534,30385.3359526107,60365.6343408504,63228.8077137401,109938.777170879,81215.6669408296,115440.516491671,95841.1719928626,71510.53241642,149209.670246436,137594.615429947,92738.9468709498,111258.007543798,96248.9371173744,72820.1278779889,189137.658068431,70459.2370147975,61126.1359618409,56679.0800601095,63242.4409571571,42936.8326532844,43984.8613462135,82279.1275714326,117317.116235707,41460.0841096237,34719.1619062408,65279.0761460461,35376.5629385046,63399.198225745,73137.9014704075,52924.4640700778,62073.9431842221,60784.3793393957,82499.5043398767,51958.0043227522]
["10.86_320.2351n",319.227860438054,10.8627666666667,"neg","20-Hydroxyeicosatetraenoic acid","HMDB0005998","35316","LMFA03060009","C14748","5283157","79551-86-3","NNDIXBJHNLFJJP-DTLRTWKJSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","***",66.4,65.3,"M-H2O-H, M-H","C20H32O3",-0.0250280647922006,2.20926220790331,0.000887042154886201,0.00650823219807474,1.68370934512158,3.21252870456142,55776.1071246841,17362.0571998278,68216.1312204645,116161.378122594,43005.5583331999,197419.640303842,12991.2321781279,17899.2782675374,10781.9827610513,5793.03418727801,48255.1361167892,84548.1191469421,122095.475544815,1696.06818886296,99876.3096573516,32124.7593797598,31221.3681476596,9740.13814215343,37406.3627137741,2626.71196958473,264763.877210679,3399.01413803713,3729.93719540487,1840.24075807791,166294.061184489,25643.9889437648,76118.8796392399,51773.9036836571,120769.78248568,63970.3464215152,15269.4878029289,4026.94955862737,37476.8713337656,54901.9443037973,8773.56607312255,338.125254602923,14369.1203739313,8356.42666511644,27214.3030961006,19094.6500435836,6281.02729856136,8632.83516848358,18495.0697998092,17373.1682642859,33910.2011612257,8827.26730479721,39437.6321287957,20535.4570474048,20047.0526491056,16742.265702333,7751.35110776503,13925.4669503732,27230.841650866,29593.1123502686,11808.9748026542,15413.0846404772,26991.3006037063,13546.4208288217,22431.8841227606,8499.83155484608,22174.9494624952,30589.3689225647,24687.1290071674,7513.27544596084,23159.4718566556,22493.0718783579,3630.71295441796,1853.03749602235]
["9.45_370.2947m/z",370.294713690792,9.45271666666667,"pos","Tetradecenoylcarnitine","HMDB0258884",{"$nulls":3},"129631631",null,"JPZLYVBUZGYFKZ-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","***",63.4,42.7,"M+H","C21H39NO4",-1.27671382410596,2.20555799794046,0.00944316577848106,0.0390747642336899,-0.585362691121774,0.666481765080939,64305.6290677343,96485.2040024304,94735.1405356404,76243.2721778707,144467.816562984,24718.7262359036,81877.3388103428,69194.3358298984,79560.3034726285,58919.3998750331,52338.2639827996,61992.8398723856,67313.2338171594,58969.2699989784,49710.8392710627,24163.8450517632,56658.5369438706,76147.8044945978,26861.8652547018,32183.4327812902,38389.5611858888,38606.7649764814,65763.8224214637,63052.3096807142,7776.48966269392,29575.4951364715,30722.5172581996,43973.2195510102,57554.1436570349,58095.3853177839,167807.417991376,31396.1021844678,25666.2557236318,34699.7299353002,292950.279583803,76958.1136756309,53325.8799159951,134548.793238675,76348.3469196265,66680.7233929501,140793.47088084,114257.947453912,73560.821511733,81860.9472660552,52274.5532329379,118567.594298107,187209.103108709,69136.8708192754,76717.9839327167,97368.7235647073,88164.5892389827,83009.6047265193,101517.649563794,102942.088739232,131640.187683032,48409.7446740117,41691.8834322043,95111.2282941387,68926.3352798012,244011.0607815,62444.5342737763,69708.8544161608,70799.2896223347,167066.316762554,171435.226235213,89089.3814118346,57791.3373775089,70642.5463557328]
["0.77_224.9792m/z",224.979236539964,0.77085,"neg","Thiophene, 2-nitroso-","HMDB0259028",{"$nulls":3},"19436883",null,"KFYLNCXBNKZPQI-UHFFFAOYSA-N","Organoheterocyclic compounds","Heteroaromatic compounds","Unclassified","*",37.6,0,"2M-H","C4H3NOS",-2.46239387524939,2.1832922394961,4.81569021125729e-10,5.94113484951779e-08,-0.411695052057034,0.75173962030585,57277.5469382614,76193.332626206,67572.2694201113,57386.8369499814,52672.2340689452,48017.0783904352,44290.1517801311,40553.9851958659,68126.9447677459,65722.1160329465,75805.4054546464,64414.7426938385,44178.4346375441,57681.7455480103,56637.5011854795,42194.2204706496,44125.1111930524,64343.0675859399,55786.6947446356,63199.4718514347,42410.8643564446,70066.5518722622,52430.563824566,59722.4858563909,46515.7386408221,48036.2194141601,66073.636077582,49607.6548846236,49145.5469514643,69026.6018630935,63943.1109230415,79624.9093054323,58036.5321188888,59023.1999915034,63787.4209109575,73837.5941574719,84253.0870730062,80266.1445927251,102863.689886986,74312.737866433,93380.3020294766,81986.151728404,62662.6495252831,71819.4288012034,83192.0621220021,68868.4214935937,70823.067914056,81595.8392934821,59750.0218053452,67577.0960898037,79361.0197576075,75687.4903512886,75216.6547361927,83588.8872642273,72742.7075222501,86654.7085639689,68804.7083719086,90916.4395908171,60787.0587247037,90037.8182230154,79527.2561841332,63647.6920006162,71263.1856243337,81876.6493755251,58718.7209903037,82605.3550540661,76219.3880884755,59535.9418620913]
["1.47_217.1312n",218.138444187085,1.46765,"pos","Propionylcarnitine","HMDB0000824","965",null,"C03017",null,"20064-19-1","UFAHZIUFPNSHSL-MRVPVSSYSA-O","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",61,68,"M+H, M+Na, M+K","C10H19NO4",-1.10687480304117,2.14644088707623,0.000636765089557864,0.00500251064461614,0.586692770669496,1.50180007683332,110900.008702878,73844.721686738,118143.730349042,110908.165690115,91977.2800555186,107863.266562735,85286.4133944908,93425.3303249369,171851.802338839,100456.790927636,72143.7658515197,146284.63844153,79470.953766698,120611.000349868,63247.6606764941,109578.945142914,72899.6709942864,42224.5924282199,102524.359993288,59706.573641065,109441.748036547,148251.637304879,92777.5376318141,89516.257050728,114836.81160145,116475.322634061,92911.7821816342,82527.2137617496,67980.0262360814,95190.4556122085,345744.691124417,186327.361493196,153413.609729954,60278.6595237167,155422.232343346,74168.6237045652,78133.1562588106,63826.8741231999,106010.847177767,57749.8690306408,68594.1303436608,50512.1647381458,104250.719956755,69078.1504068384,50513.3194612657,33769.8154712084,47839.180789268,71598.9541379238,43446.4526695073,116805.115908713,79926.6622177787,66030.2228073246,132732.296937489,71610.2827368101,59410.1361820592,61879.0823615708,84102.8247760099,120887.759808759,116609.819805232,99041.9071898173,66182.4534192265,52041.3735501196,75879.5852113692,65610.0337397041,46388.4585702605,63420.6820348269,49236.2081041575,89588.6520315711]
["12.02_262.2291n",263.236403811094,12.01565,"pos","6,10,14-Trimethyl-5,9,13-pentadecatrien-2-one","HMDB0034495","89972",null,null,"1711944","762-29-8","LTUMRKDLVGQMJU-HSVQFRAPSA-N","Lipids and lipid-like molecules","Prenol lipids","Diterpenoids","**",61.2,22.1,"M+H-H2O, M+H","C18H30O",-2.05240915481502,2.14129844114276,2.0983899930058E-5,0.000373472450650971,2.10021874587675,4.28774392183382,27363.2011845516,6381.72467465097,18447.9124097444,11697.8380716086,57446.2669092212,57739.3309170084,34275.7478014311,25396.9860152437,4951.96402861548,16505.9293031104,4594.82035821097,27681.0941719613,15636.064183697,43579.7329280112,2757.87326976813,50755.5061513458,6862.18817745589,14312.3216840449,100380.840063628,7758.48464521052,8368.0623967627,7331.6399112621,31778.744326474,31514.1943483269,20366.273127691,14702.247535003,15508.5020557038,48750.1408458387,16933.3712108704,16213.7651769229,32211.8917187087,17883.7776722499,109749.798225298,22264.7661633193,8627.56328645423,4256.7504137707,4866.87760231022,5465.62371905254,2552.61248405573,7696.79055299352,2300.98447955039,4698.912925032,10022.0616745223,10056.1437760708,4583.59191323206,3974.99815043135,5178.64293895908,5403.37373728126,5511.05922153174,3121.65086938593,2656.28291012468,4265.9317160751,2711.13950319289,3105.27037595361,1949.48814352208,4927.45255776796,3879.25887646256,4559.92046201786,5709.79447301789,3161.05199601116,3560.02073574819,5584.62187997965,3903.33503857139,3978.75999801657,4411.01129849206,6708.78577330805,40053.7929031121,25780.9211639287]
["14.65_595.4948m/z",595.494795713994,14.6475333333333,"neg","Artemoin A","HMDB0033604","89406",null,null,"129011028",null,"KKUONIIRIFHWJC-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","*",56.3,84.8,"M+FA-H","C35H66O4",0.876026414252845,2.10932889388426,1.21188494839559E-3,0.00820341510656649,-0.674156211577665,0.626698649111675,45667.3212714948,72869.6660447997,45489.8288668,36457.5970552537,55598.3036541754,103994.562058208,59905.4920750953,137059.903970666,15284.7638438784,38975.0233286647,17789.4269425968,8850.46140776807,55066.2919129116,39192.4176261411,162978.7728511,29071.8634318918,51858.4644455515,27546.9237142568,47193.4294173492,107540.04453315,42018.0143757039,45632.0248072348,36340.545029279,18540.2409651454,22760.1914280499,31007.2560582979,13934.6692365199,22241.2387300802,55994.5351697793,6641.6953719387,20610.7756529427,37584.6191832848,12043.592064774,40870.7922738782,60947.8404769622,69484.8234787873,117452.47645897,94957.2292149605,16448.4744139166,61121.2463239263,85106.1507494285,29886.1734539575,86357.2531768611,48182.8038411863,78538.7710910334,33362.0979911118,61562.3203858744,68273.0361931176,60874.9998973909,92344.4545506085,91625.9856077798,41036.3696376549,43938.9115411032,84726.6240239818,31268.9720760115,67919.8771737189,108322.390471073,65676.3812084923,54195.668565006,117106.619870811,31988.0978072673,124587.277714258,88981.5680418757,108218.229880443,73648.698841847,94698.2789040605,51853.4157075231,120953.301184352]
["0.69_244.0787m/z",244.07873562109,0.694966666666667,"pos","(2R,5S)-5-Amino-1,2,6,7-tetrahydroxyoctane-3,4-dione","HMDB0255319",{"$nulls":3},"76090650",null,"KFTDHDXFEXLYOC-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","***",57.9,36.1,"M+Na","C8H15NO6",-1.90991107663608,2.07138382846888,1.22352837089925E-6,4.42997065594066e-05,0.714975346421869,1.64145516727921,52062.1094555236,31717.0462485545,56646.0610673093,54120.7222152841,35715.8560158389,57353.4232644265,47255.6834683824,28803.0150856316,52647.6249459548,94257.457516516,48233.8611720057,60412.1383418432,33425.2103530458,126061.34658019,39458.4929324351,54451.9920296385,50261.9963185997,52933.8977513798,32789.7778398223,69567.4115704435,23980.1102326497,64239.6595568319,52317.200273989,34554.1981376964,33061.609194425,36676.7129823503,70927.7772719885,53935.8119853393,42219.3861525258,35045.8123793368,60485.3540914239,45468.0512651939,63843.1083456451,52592.9831278183,54305.8685663184,33016.8825274479,28829.3374105977,30384.5934072323,28888.0105467939,28041.4649740435,29620.8844099946,47020.7611256689,34320.8001104379,24199.7874246077,24770.1200819249,47585.3768674091,31588.447755816,34359.4792547449,35328.0685505113,73966.4523966844,25764.3757536445,27171.4921696458,29729.983154841,25509.4800729961,24396.9986733381,26274.7174648119,33330.6838894427,29462.0420107035,30507.544294526,33498.478203636,29710.0716535336,24108.725948871,23292.7469315582,41589.6003323196,23417.576419563,28838.7639385669,30336.3664433598,27802.4120030261]
["10.87_302.2240n",303.231290415753,10.8711666666667,"pos","Oxendolone","HMDB0255978",{"$nulls":3},"4620",null,"FCKLFGKATYPJPG-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Estrane steroids","***",65.4,42.9,"M+H-H2O, M+H","C20H30O2",-1.87349906139518,2.06266738570555,0.00178268034088971,0.0111828779952987,1.79183797594866,3.46255737249231,52511.3789565576,15165.4899276833,69571.1211651923,89151.8184350329,41835.3386908553,207119.695688245,13666.9869419212,20534.9808867712,7219.16994748967,4025.41150325116,40252.2719854263,68195.7692763839,120379.233637789,1343.56777964827,79423.2424097569,26438.118615552,31212.4494578197,7923.33321157024,32187.4900553463,2427.327917395,301686.767758235,3141.98103141536,3394.71255661517,1741.48630127522,150592.495767674,23591.9733023381,72953.8501981433,43681.3714505155,104756.016545426,52205.5134301432,16173.055093293,2816.38992576729,40402.1663066873,45714.923534113,7115.47475931208,658.33552043098,11138.6814096924,8305.28245380621,25222.6146383032,17287.0590937471,4918.06433442026,7065.18070635658,13537.1436942982,17057.8221601805,27816.4177153329,9087.31661113349,35469.56983603,16892.7669475697,14465.957238,14751.7891086432,6728.04885014217,13208.9684085397,23470.7672659523,26297.4699776534,7676.52320063432,14778.9121349467,26269.3160705307,12697.598909523,16621.4937529955,6631.30309295563,21227.7033135308,26063.005470108,21410.4458814894,6729.60948418838,21847.9015370162,18690.6470076314,3451.10491201711,2986.3468757487]
["13.11_794.5651m/z",794.565067163623,13.1120333333333,"pos","PE-NMe2(22:1(13Z)/14:1(9Z))","HMDB0114438",{"$nulls":3},"131821545",null,"AKYDNAVOQYLPSB-DUZKARGPSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphoethanolamines","*",41.3,29.8,"M+Na","C43H82NO8P",-2.53861293494267,2.04591954574814,0.0393705965396457,0.110297272559764,0.15551439167662,1.11381867853106,551889.806831667,495493.402534347,386550.025380497,437852.179636201,591281.569707799,386267.217751824,536710.565128236,453063.748705345,804025.93270704,548976.623575644,732319.203199723,555133.414413685,679324.253203312,542623.402675127,614417.403103076,562206.552221778,670600.328366415,540218.244531405,874759.162903653,359444.279691049,430155.72097681,486236.240909569,555615.440231251,618331.672872111,476626.482830348,501876.675387047,495839.331565047,449692.480045834,801216.083596114,457108.573879549,497271.998976458,615013.932792146,582817.606464777,447317.42179657,521469.856219577,472136.185398858,389614.159964062,508995.991231454,471543.893117876,455030.129421439,598959.35324299,494372.186246644,693615.837616019,426747.413261579,472852.945148082,568465.894804267,539960.399260049,542041.991067876,444222.011540731,432429.532666714,548507.743548108,640046.915028101,564019.733602156,541632.629609824,413683.275425182,307038.621666708,535117.478937658,564847.233398108,321486.014696147,504299.647152205,459311.289905542,437459.209759164,602926.41975689,578362.449577724,557027.784471455,395822.040674393,561694.251852283,307011.620583169]
["8.48_471.2226m/z",471.22260807045,8.47505,"neg","Cichorioside N","HMDB0302058",{"$nulls":5},"PBKSUDBCJRZUBN-SNLBVQBNSA-N","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","*",40.1,7.45,"M+FA-H","C22H34O8",-2.2590077510649,2.03710998342126,0.000396976752810159,0.00354511947348697,15.0440082697638,33782.9635191811,23517.4428601539,0.696133210658126,2.41484487495116,44.0520101928899,2.74721364076642,10.7460736267957,44571.3829861607,0.341880696873871,100822.359808989,4.67523137357619,44829.0592763721,0.346802131138885,45094.4634096536,108169.920250615,62897.7060979662,50667.1112043282,81376.8589987151,31566.2693339893,3748.10960002385,1.06632797696586,1.07409796078783,41451.9833497539,121499.194065077,4.45574676597765,2.78597719902934E-10,38708.2740363479,2.62957680163304,0.0532475613869283,0.154419860444369,0.23456009925142,26.6382090100805,0.000124365329079527,0.278719836863699,8.83884815359029,562.174032157083,0.0288857842656964,2.34446779788635,2.78597719902934E-10,2.28409784462477,0.0199082067133361,2.78597719902934E-10,4.80927923870576,2.78597719902934E-10,0.972903687610744,2.78597719902934E-10,2.02797141045708,0.803299994777648,2.78597719902934E-10,2.78597719902934E-10,0.0185161243206206,0.277872543686414,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,0.128378424849616,2.78597719902934E-10,2.78597719902934E-10,0.801677558391864,2.78597719902934E-10,1.13479389588933,0.00095603769104139,5.34987743030034,2.78597719902934E-10,2.78597719902934E-10,1.18801168433812,2.78597719902934E-10,0.781498282751877]
["8.29_342.2635m/z",342.263478332559,8.28618333333333,"pos","trans-2-Dodecenoylcarnitine","HMDB0013326",{"$nulls":3},"53481671",null,"JEOZLTJHDSKQIT-CLVCIHKQSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",59.9,39.5,"M+H","C19H35NO4",-1.19178624207026,1.97689833039863,3.11627007018467E-4,2.93228689372461E-3,-0.680639699363985,0.623888577290467,36779.4906679208,58952.0180472822,44285.019818409,44941.5778229249,80583.4133718332,23054.845379257,45593.5483670607,44722.5572576132,57838.7061344221,36138.2862240397,27983.5169024338,42933.2552322718,40820.1875632426,34915.7838977111,26148.8419455187,16907.6040396373,35151.081480132,30269.372779555,15098.7686943377,15435.326728674,21684.9865012018,24305.7762032338,41024.0933201861,34221.22397669,9545.68731258491,20196.8025832238,16600.7111770057,29232.1963070922,34902.4449486157,36423.5056914075,77619.1751656647,19631.2324947616,17035.0619718382,25569.7445400541,142908.856208754,49966.5798361158,53661.0940467557,73240.8726104295,45597.6153953357,59156.442342185,69824.7391699304,85024.6720410264,32415.0580930203,42757.2497372481,36096.5861146197,73101.8429465793,106978.233197677,53131.0457774751,53641.8675754124,41825.7381531217,58548.1856643072,65410.0567592612,56259.440428433,54791.8524441845,92777.1722664608,27620.9191307621,26457.5068970991,70273.0338410543,48438.0096730796,114067.400450342,41442.7970697262,43166.8109585585,55475.5559345005,96378.1731094711,84220.5591584843,57634.2387765863,39112.7110726239,36922.5348884459]
["7.24_329.0620m/z",329.061985668124,7.24466666666667,"neg","Almecillin","HMDB0248169",{"$nulls":3},"11330",null,"QULKGELYPOJSLP-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",37.5,4.73,"M-H","C13H18N2O4S2",-4.65647061290878,1.95022830805947,0.0293031608973842,0.0893853744955923,-0.666873956533257,0.629870017218096,59837.5226597901,94999.7952340555,240208.315087569,12679.9343848167,68212.5813248775,30904.3421767577,62645.1706930216,11446.7558496779,30639.9883248955,5212.39138669984,48799.2946605746,33278.282946418,1675.56261551446,71295.4879924122,232839.678052353,27402.8644777952,106081.032723547,46428.0256895869,49695.7664478012,5396.8837279855,24656.6722619529,97374.6217978143,90020.1502781466,16420.2738796135,21407.9561768383,57053.4389394951,121242.102921568,36610.6582096248,6265.98001283741,106858.82653461,118928.553311699,103053.640000932,53160.5370021104,21258.5253831547,15483.9525003739,47839.6391725084,123489.482322192,82332.7331883038,248750.660671909,143326.306344877,76924.8914656933,100620.541436068,37161.0573219429,106318.259781029,22433.6782647014,18642.580220726,81388.3193034376,93419.0266884459,137957.714611983,99222.498792093,141086.908316726,93183.9293486861,23850.5623555787,54904.598288251,4365.37815435845,13488.9872606403,941.087700604571,188843.689674637,109386.648022866,265183.951702197,104985.070635464,16416.6833082718,203665.435755465,216036.51937036,43613.9054188196,43688.3398828673,108263.450342037,83260.7076000908]
["0.69_104.1072m/z",104.107179193566,0.694966666666667,"pos","Cyclopentanol","HMDB0302463","65703",null,"C02020","7298","96-41-3","XCIXKGXIYUWCLL-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","*",45.2,33.9,"M+NH4","C5H10O",2.19259168621185,1.94050564181395,0.000132436904978213,1.51597020784339E-3,0.334293962226979,1.26076025677393,121714.156214381,96540.2863553349,137980.808499112,109633.77506383,181568.013588459,127165.548716434,123041.476673879,105598.564334397,57956.437367535,84240.8474275046,134674.098667394,141204.908310295,152515.025169823,57000.0534175315,116526.516440285,115890.393902228,155587.95207951,94491.0722142728,146509.779202511,67557.5297118083,137988.751204937,99381.5088576043,79129.0180153139,126916.103861466,126938.499236587,131186.949697523,116454.717533388,145878.50063824,118670.029953567,98344.5026850235,119275.911796267,102989.061493641,163780.50405237,166907.572727039,173582.722534791,136180.633295288,62233.8978963607,120513.724845946,88674.5917928251,99801.4537208231,106659.091195892,98972.9128329517,100346.907701302,91332.7160593567,114452.616174055,72273.3123214925,75655.1244457594,78383.2507062557,85883.4481221924,112997.352240161,84786.89881411,75207.4052314856,81577.7258302314,81054.2961795517,77330.2385632472,107157.851340175,97619.8072399717,104264.370123916,124555.008365102,93138.8894031964,94839.5194364719,93991.7922260685,108484.603634536,100049.358226137,118787.042923327,95782.1248281381,96601.70346232,106239.780547404]
["14.43_580.2309n",581.238197605008,14.434,"pos","biliverdin-IX-alpha","HMDB0304275",{"$nulls":5},"QBUVFDKTZJNUPP-UHFFFAOYSA-L","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Bilirubins","*",50,65.6,"M+H, M+Na","C33H32N4O6-2",-2.17773130372761,1.93216461734627,0.0428028290601836,0.116579087162283,-0.793191307315232,0.577066182327819,43694.2716480548,75717.9557322128,13495.7421901671,6396.4025657383,3727.34015418561,53387.5500579544,34546.9677874365,51439.3356682149,29822.462121606,3944.1415996801,99422.8822976229,90609.4515375494,289371.608477168,225.446799960278,102052.937366245,34806.8783085414,38075.3596626799,28449.4246905248,16967.412887243,312.279445186041,30944.9119804882,188960.921703539,48085.9035587469,9787.93297562796,38367.0519484353,21603.4428453941,31419.5937082041,4599.39870805652,29327.855583313,50087.7460208202,12268.7909359451,55543.2404336474,5506.36953617583,14733.4157654809,3620.76506423186,2798.05198955906,3665.63347831711,24701.1322860439,111111.78045672,9445.43208981137,32853.1221628714,1326.80678069396,132357.440927484,38421.6018256541,147921.443681408,38633.8278358888,93465.3651086622,147241.66061936,22176.7514206748,37760.5942070557,152387.769137638,18627.2015947494,80084.3310723671,13098.0080105748,58171.8064412154,8867.58210917946,138818.181433742,175480.979512421,120217.526018985,157747.107003504,248871.24140365,190726.314760026,19029.4451318185,85201.8655125838,107832.271341643,16675.5051207765,57040.4574537317,5934.30123421147]
["5.64_308.2194n",331.208600117296,5.63911666666667,"pos","1,2,3-Tris(1-ethoxyethoxy)propane","HMDB0037162","92130",null,null,"5362567","67715-82-6","NSVOKCWMHBVBIU-UHFFFAOYSA-N","Lipids and lipid-like molecules","Glycerolipids","Unclassified","*",39,0,"M+H, M+Na","C15H32O6",-1.65241219956704,1.91692965484102,0.0157801245429378,0.0573212593811621,-1.2044462195105,0.4339358784996,36243.0690588841,83521.7156603878,22355.1109540395,22150.5135355025,96435.3828531268,40092.8046985216,31920.5521528168,15248.7590327631,21662.2323397506,20603.1437700418,14928.087050591,43685.9539004189,21036.0165711971,35458.2567268504,24903.2635155976,30730.9769277198,22810.3073215914,18416.4810483498,41305.5763634663,20322.4614952986,178931.053953479,17312.9523568711,20114.3369548487,17880.8971191671,16533.0036086342,24108.1552600802,16366.5140797455,91045.626568188,27127.9809118725,121936.13086543,21148.9592787469,23759.4684099722,19524.8606730143,18572.0477091265,37593.4109363568,99110.7972198415,31136.5730843962,335729.938250212,100297.271474119,79357.8796017894,86247.7596166593,275220.271237264,42428.0748955778,70312.675415519,130348.985369256,41306.8377522761,74943.4280490474,195351.629338691,10574.3929523103,279370.633632054,22755.7099887875,22129.334131447,33273.3799920354,28514.0059032955,27843.498828971,22151.1238174076,27672.8988275953,28324.8918645657,11317.0367605765,17458.3602993852,15220.8545092794,64709.7098481233,25243.3823903552,17526.0166647322,14449.3869473763,16724.4488488996,430100.063290183,79065.3659907678]
["14.64_566.4103m/z",566.410253069539,14.63565,"pos","Chromoionophore I","HMDB0250212",{"$nulls":3},"4403211",null,"MYWBZQJIXVRCJC-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzoxazines","Phenoxazines","*",36,4.3,"M+H-H2O","C38H53N3O2",-0.405601820632197,1.85809232379212,0.000951605616676032,0.00681677055730723,-0.500200670597528,0.707008433532812,55208.8998036992,78088.0357081864,45927.8525824679,19411.5668097198,46303.1457237355,72052.4968367782,44177.5642094682,49249.6971254471,11391.2166806849,39356.4746988057,40492.0466533726,56539.7554860268,97104.3959262863,87758.3152805333,49026.9325318919,48015.6068494884,62464.3425192348,56372.5657533757,102831.508057664,29116.474564137,71199.9036611635,56045.5698590142,107197.555429377,42164.0530214159,38677.7319729972,32418.7218466518,79033.9681644008,34122.2734061173,112442.904759305,31705.9003744386,74658.7864008064,10314.3093038801,93035.1260558076,26098.5544592866,55186.3765182938,85502.0157337081,31483.91880603,64841.7142724691,79257.7084972647,80452.3796551736,86151.7448474025,101821.094342243,35781.8203388536,46135.7865737827,62489.9201136517,79689.8167092644,46149.3855384264,44314.0822744141,57787.8524426839,88266.3915197915,98675.0958406205,121119.993225245,50302.5891988591,106140.829430124,91916.4022775961,78071.1937309526,87542.7133450746,71340.355232995,113413.551514315,73451.227469666,120222.864437838,67262.0213409545,57289.219773235,138678.0590005,69246.905604288,57522.6600133116,117965.686759917,66618.1785095013]
["0.60_164.0666m/z",164.066623490462,0.60205,"pos","Ammonia aspartate","HMDB0248341",{"$nulls":3},"129713638",null,"GOVCRMWFUKQONY-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",41,23.3,"M+NH4","C4H6N2O4",0.282677687387264,1.83849982871624,0.00024608094219509,0.00243233121202328,0.394923385618856,1.31487293196833,76685.4933417691,58321.6001161216,36702.6807253192,47188.6509768307,78311.1821677345,80254.7266504772,131183.832362271,44763.535157282,103170.833177791,64150.0676274643,78091.9875585433,115088.996452997,42303.866352644,49344.643038665,58971.5186863288,85060.4603998913,75700.9450827492,68991.4984294072,128568.047732915,63054.1130625127,78049.9056841829,53037.8684774588,101797.952590121,70801.3465170017,75066.1561409362,91446.5640091678,95003.0831413291,85364.5580157727,74905.8040743568,55964.1809861084,64647.9938862386,86698.2841176587,87689.3104598652,79847.9220074568,79398.7645289018,44890.135126887,52747.4247536372,61641.6838312938,56783.7957315146,47184.6182249756,49790.6309776677,76731.6806951919,56260.5791121358,46450.7018673323,78708.3952261004,44309.5151875538,67304.2318836226,59088.6157797187,36577.7328684196,59700.9161008338,64178.3684483724,48195.1276109474,39170.1723381711,51718.8631890286,48230.6194815137,49046.0666678572,57633.0528937128,83409.1423870909,57456.517198521,54413.8469661113,78176.3300335802,79524.0114197062,50042.2885548076,62348.8143706851,78674.0119368773,94565.8169547876,58933.4829757001,30725.6130376577]
["11.64_370.1828m/z",370.182830640716,11.63945,"pos","N-Lauroyl Methionine","HMDB0242037",{"$nulls":3},"89490",null,"PFSGUIFKRGNSHV-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",39.5,9.47,"M+K","C17H33NO3S",4.70275886299503,1.83739635822409,6.66954802913576e-07,2.92319269540148e-05,1.38244694922221,2.60710185793786,24254.0249942315,9303.05999375711,27134.8353393883,37284.1947806396,25356.997897489,25854.9743377981,29262.975946964,47277.4007810182,9478.12502166937,7083.07433152561,11696.9940507783,5955.28295665734,15536.8281111378,6362.47573079467,32699.613545183,26628.3429645827,12720.8869593198,13940.3148371399,10922.1700121107,5855.54604617792,38772.6150221886,8350.38136337428,6979.41156470509,9669.77240004516,51010.0793704402,33614.8241071713,36641.27662474,41197.2199911125,35533.4852214702,54119.8112241393,50070.0776331602,19314.6687412228,23527.7214269872,31968.951093388,8561.4953751208,7869.56686556939,6661.19555191723,6031.4520066532,8633.60756113039,7195.59662215364,4809.64986653809,6849.52421202804,7702.76415904703,6130.1075009318,15530.2253612949,7265.88322116082,7015.68784871647,9091.43915086341,2531.4193111982,9813.37795260444,6671.4254430587,8492.55699356744,3527.75193371507,9192.9770649648,7835.11179879612,7956.43907097923,6903.39990244762,6351.06815392223,10521.1292448418,13091.4163292167,9552.61715080555,16020.5037394864,21146.5936498713,8942.26914886761,17168.7449360668,11738.2188813986,16835.9975218086,11921.261638363]
["3.39_158.0400n",176.073815784909,3.39156666666667,"pos","S-(4,5-Dihydro-2-methyl-3-furanyl) ethanethioate","HMDB0037786","92601",null,null,"20831821","26486-14-6","YDYAMYYOQBGPRX-UHFFFAOYSA-N","Organoheterocyclic compounds","Dihydrofurans","Unclassified","*",38.8,0.854,"M+H, M+NH4","C7H10O2S",-1.01433028718666,1.83094797998093,0.000584300923865373,0.00474858167678275,0.63954665458388,1.55783955453599,70213.9477720669,45071.3602486365,75691.816045852,47343.1509220695,77532.0048444986,86140.3234457454,98967.3156879751,100876.663459569,37198.9799705469,40560.1495185772,19750.5103075831,47515.0713574632,48316.3813295764,21119.3607369204,10022.0327944638,89604.1797930963,23380.0859535439,54423.5513575973,96196.4845651081,130612.25173419,19507.5835981652,79725.6212890698,24924.8495962503,109262.867738441,70796.0526051776,84575.4739464521,76596.6040901327,123506.218806007,87434.0551062569,131469.35050499,80442.3571977321,88353.9546747517,75978.1828081126,58109.1256856763,101127.665006617,29112.7154576011,46261.5890170254,61750.5950755115,55770.1540277253,50091.5345544204,75136.2077900296,49512.1749182758,48755.453365119,56614.9014006013,18919.8527811754,26238.8003091728,29350.13323333,40269.4511087897,47817.5303579458,42182.2134916309,36048.6345433058,42089.4526877396,40895.135891845,33598.1339871332,49730.5002913823,44437.6317616314,40671.348099873,49908.5272760019,37649.7069301595,27326.250254219,28761.4061901151,13486.1196797235,32227.3297144798,68635.2339077293,18103.586072451,30812.8217113659,96800.9169056778,118388.845411816]
["8.51_342.2635m/z",342.263522471005,8.50995,"pos","Dodecenoylcarnitine","HMDB0251567",{"$nulls":3},"129664620",null,"VFYGOZNDDVMNNT-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","*",53.3,71.9,"M+H","C19H35NO4",-1.06244531649215,1.81431441410205,2.74344627008452e-09,2.68777044872104e-07,-0.945222182997887,0.519349562790899,13797.2538771592,26566.4108832884,16109.9217042646,16036.1260950818,26427.1080597641,11706.0364385977,11027.4065591014,13402.3691935309,16407.9378708094,17783.9449808963,11238.8683905846,25089.5664415761,11993.931172208,10721.8462918428,14045.9400717894,7004.48224192923,13616.4274142635,10269.6452765778,10561.2434107226,8977.21276902725,8907.42089668479,13223.2925914828,11133.1362238628,11221.3173140927,4381.22928252201,8479.51242528638,9524.56716524283,15302.7677628035,12079.6094639768,14166.537293656,39634.1817993502,10004.543741149,6602.82438018967,10994.4667343156,27233.956489071,25721.5844324746,28177.9330817891,26489.8846991906,19936.1328091257,17897.8101881678,34253.399407407,29661.0917594418,21001.3736454556,18767.4489526541,18056.260863713,19699.4567163345,29994.9942909033,30360.0531808014,22737.063555412,27706.5153340256,33762.8007411861,25804.8130448888,27514.630893992,30011.9788234666,28813.1036908707,11260.2990423072,13161.8342384729,46878.5824708713,26103.2769288347,47596.9524631538,32223.2079428054,26391.9358882736,29827.6431429227,34245.6065727336,31694.4781194092,25406.8511129691,17697.1968971284,17835.3642173335]
["3.37_117.0545m/z",117.054469012747,3.36648333333333,"neg","1,2-Diacylglycerol-LD-PE-pool","HMDB0062269",{"$nulls":3},"8285","115-77-5","WXZMFSXDPGVJKK-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Alcohols and polyols","*",37.7,0,"M-H2O-H","C5H12O4",-9.1768771496586,1.80017020045685,0.000183962253659541,0.00197448549312558,0.53180446890247,1.44573633797678,75835.6359017517,52454.679259068,147151.475914926,134951.145907506,44692.1974578098,43433.9727682081,59221.2766676105,48503.1540465896,189548.107155004,98026.6665235869,66997.9334569783,66753.9920724756,59716.9178109916,59045.0473599702,41095.3478941926,69514.6166267435,69701.4672496208,64091.9595370169,47245.8872317582,77963.2268977956,65811.7128311682,79473.0047469501,74864.603541904,61090.2831538668,88092.6642377741,77967.6643530436,70954.1327351583,58904.1326092464,59957.6402379631,55204.3410644496,50642.5260789688,80955.5898719521,52511.8120178952,117383.754332676,121107.730366007,46517.4329450091,47105.2396100001,65977.5157225148,39549.9517519572,49149.5898626861,46955.67174818,39029.2008546428,58857.3938603132,62406.0352086155,44319.9874838692,57470.9224549543,57847.2310861878,49761.3611285059,51714.1708289618,65576.2505173572,44010.0232256571,47153.3155270194,56089.6862711568,51034.2703029844,47272.2277946017,72877.6246774935,45327.9025069611,69465.4632908516,48794.8181995732,59273.2218885557,49157.1644676157,48450.2115265716,53188.8037215018,52050.9616907613,55043.443996734,56658.8045582542,47671.9511377623,45246.5657014327]
["12.41_303.2329m/z",303.232911638735,12.4112166666667,"neg","12R-hydroxy-5Z,8Z,12Z-eicosatrienoic acid","HMDB0062290","36270","LMFA03050012",null,"5283149",null,"RFAKHEWADWLSJX-ZIQRGBBDSA-N","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","***",65.6,61.5,"M-H2O-H","C20H34O3",-0.13092388118951,1.79500446767269,0.0132955131589337,0.050599852761943,0.311732128710546,1.24119701183145,125025.621167467,100729.876059712,116722.034777411,207654.260599442,98684.612231316,98992.6393788954,156315.145430197,158919.786159373,44837.6918558168,71740.1036662454,118441.739248258,72018.6544766471,221732.458398174,58870.0536408504,130170.479390194,118947.859774083,85581.4542150442,186746.152954375,157148.847105633,75868.477263976,111798.926763179,76196.4117122364,102079.849112589,130972.155762651,112436.260806691,98038.5884018794,115102.089975949,196688.910877611,178000.326667093,165139.467447593,106918.562354119,80805.5875420547,216378.034635798,149792.33821841,106105.53768261,60661.1945220412,118955.746288865,112563.972421161,112745.194182865,81262.4368462257,84031.1977415862,73750.4290953668,78053.6009293065,76911.3810709924,109618.902004208,151083.606992732,151081.689841867,165051.780815193,71275.447263454,120495.738153427,64933.1216388452,110256.379371848,101449.349012261,115858.581073769,104409.995434355,80668.6983922772,120642.93588135,106610.562732856,59469.5620972315,72688.041087532,68790.3380737312,117822.194084431,87196.2000931322,142830.861262588,119838.260207362,122240.330871507,98395.5318057408,62442.6486803827]
["8.97_367.2717n",368.279025677484,8.96701666666667,"pos","(10Z,12E)-Tetradecadienoylcarnitine","HMDB0241375",{"$nulls":5},"KBLSLAYMRWEERA-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",51.7,64.1,"M+H, M+Na","C21H37NO4",-1.38704771120141,1.79421652290171,0.0227381770407576,0.0746215445544467,-0.505515232292137,0.704408765866436,52673.6684839405,74777.1337273904,78770.3603469014,56620.599518493,170052.825589239,22490.9458410565,53399.6419357243,77622.9477522022,71488.6441547509,55144.1863758851,47283.3001994691,53385.5425260505,52737.5492799158,47883.7827798965,28147.2013811905,19771.8640935838,25243.3057210609,56409.8122426317,15375.4734725172,27717.4954327425,28122.572829477,25412.6945502647,53431.663786196,58887.3880164152,6780.16011566317,15822.6025607871,23869.7085071189,45540.9625162183,39842.3399554203,48500.4561869087,124364.752721168,20045.136568639,20493.6522975619,23257.9067853066,244313.583929581,72048.384190205,56793.7899463565,117787.084598354,45789.1457798419,107475.281907763,120148.619841844,85100.3491885389,35754.6047221083,69697.5513903292,43061.3411356699,79394.3811871594,135766.099082211,55245.8974616039,67828.6538179764,59295.9447259079,75827.6632233277,87081.9143933721,65072.0445719559,85248.1508159482,112381.299327779,41769.5661536631,34518.407326243,88488.8978411449,56368.8733619272,113872.903559711,53146.4649352613,58174.4432612929,47318.709932385,96134.7660699052,101009.111060319,84029.2274009946,61103.4372112978,54912.4035814864]
["15.02_577.4848m/z",577.484755528751,15.0171166666667,"neg","Reticulatamone","HMDB0031396","87649",null,null,"85315312","165905-07-7","FGTIZDFKHUXJQK-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","*",38.1,0,"M+FA-H","C35H64O3",1.89065712408637,1.785499019473,6.77781557791849e-05,0.000917760312603517,-0.785856573776667,0.58000748611056,24406.4678925568,42079.5739314036,40827.1739080908,44468.1820663161,22694.0918753079,47174.612573274,24871.985352467,48865.8678711806,9033.55221687704,25002.667241685,12275.3269081503,4157.02573672643,24748.8923086951,29649.5078954558,43352.7370883922,20516.6859061964,18573.3946641172,27499.6230443391,22385.1187270478,67303.6453453338,29152.4959785602,21336.0112092834,25132.4411885022,12423.8326056222,10400.5337040158,21618.4046073711,12933.3517763599,12775.7321668507,20618.0986495067,8186.27932207081,9058.66819973488,10207.4849459692,10563.848277137,20725.3356542279,46880.8314395114,46999.8694824016,43274.394192247,63471.983463117,10404.2890329019,62963.0468007012,58430.0145385524,21232.3598990045,39847.7075406401,43193.7243129727,21885.8691544352,31109.3928344272,29343.3963947719,24273.6629639046,47575.5921075767,99257.8589982109,51392.3577340207,22945.492369608,17460.169446666,44743.087308359,31358.8862479699,33575.8854459507,50061.7680168254,51423.3826293138,27702.7490075761,45324.5526239996,17250.8752122086,47740.7670502242,53726.3326177788,64770.6120589117,26424.575744616,56366.0929758103,32589.5556731412,70505.6358574732]
["10.35_399.3342n",400.34145628849,10.35485,"pos","Palmitoylcarnitine","HMDB0000222","5231",null,"C02990",null,null,"XOMRRQXKHMYMOC-OAQYLSRUSA-O","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",55.4,58.7,"M+H, M+Na","C23H45NO4",-1.70050193441619,1.77525020546366,0.0338349986499328,0.0980215780731818,-0.246925710053608,0.84269022176403,136788.743323496,162323.876307894,149139.680644488,104192.236202948,197747.128477204,107189.693972092,238148.233608199,129392.307472917,102261.806043238,74616.549987058,142212.970737151,214286.601576909,155467.308834763,94809.8485499669,124986.867913293,107353.539952739,74415.8295288733,164739.860438236,154823.773063783,92914.3189143411,128226.35518729,115559.452611069,133816.434249035,136146.288612923,49177.4289672792,109994.759599075,128911.014609334,96142.0656296985,154718.674214997,110044.578996544,233428.620511563,104743.217003724,142968.84626474,145728.265723608,295723.971576297,130577.522711285,111768.939648152,194537.847201924,212441.899412805,107313.402266698,169422.044399954,124288.12087443,192080.151371936,186723.982866734,201131.089793377,187220.816058656,139293.298177376,176709.195036644,152419.625532337,175487.151049852,180942.228550655,173065.866628208,156560.413729087,170216.366895477,115352.564220904,122746.949300632,117244.111020645,138491.656617129,175601.179908135,178329.557959903,101186.18515247,153154.218812073,151856.782459471,327517.240306095,223237.43522784,163734.774199046,116519.940455516,129515.360315059]
["0.66_188.1521n",189.159410158417,0.66215,"pos","N6,N6,N6-Trimethyl-L-lysine","HMDB0001325","6161",null,"C03793","440120","19253-88-4","MXNRLFUSFKVQSK-QMMMGPOBSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",67.4,46.7,"M+H, M+Na","C9H20N2O2",-1.82917443710473,1.77074478476911,0.000566208494641285,0.00468906577871793,0.744569300403099,1.67547400165364,47916.9039813596,28599.0137322735,32948.4485292132,50106.7384626594,99227.4243865303,128220.319299283,47773.7525595535,33583.1250251524,86081.6162301517,32985.6262343591,42943.0461627864,66754.7945531142,17173.8800812493,75445.2851259071,20287.2730650869,50705.9431181217,63784.0389228936,40431.490025783,43362.3363440257,21052.671443489,15852.02605829,28342.9684797808,52269.6711248509,21982.4813430295,46897.1403625122,29373.9388935449,38547.3585321508,36638.007560059,21018.7434249948,42336.2321970921,108381.662973502,41717.3854471459,36995.7924524157,23852.9392021477,84183.6737639915,26999.3783221248,15404.4452385476,34647.4320503727,25975.6410154234,27715.7516976927,25449.9681500318,55926.0946297255,29550.2686295672,28320.6111643629,24364.5503373238,19789.4190676984,32276.7367991671,14516.2470917735,23525.2926714998,33270.8928938801,29793.0234772522,22122.0631595513,34731.606734819,14813.5240524265,19476.5955905064,31883.4037120626,19350.9723979958,22030.7886812529,75515.772595696,29490.6127131103,19940.3167347062,17119.0720533912,64889.2377671658,28848.7734984041,24161.2938050572,29936.7549225792,23000.8168385088,18930.0946713494]
["9.06_357.0934m/z",357.09338132239,9.0603,"neg","Tipepidine","HMDB0259105","314749",null,null,"50287",null,"YDDXVAXDYKBWDX-UHFFFAOYSA-N","Organoheterocyclic compounds","Azoles","Thiazoles","*",37.5,1.73,"M+FA-H","C10H16N8S2",3.98566179019876,1.76500534833192,1.4839300043331e-05,0.000297769327977925,-1.15153363688889,0.450146454946845,13387.8514970841,29741.1017013673,19519.6140961651,2300.05389114661,39588.7353580163,20645.1684618529,11330.7088063664,10556.3139575369,4908.04001283459,8223.95232011424,11237.5729866377,10866.1810146313,15468.9825058106,12984.1503288305,32684.4268806656,4796.15504703787,20107.1487998471,6266.63564495156,5993.33923291665,10492.3993800893,7986.1003628909,10874.2100376509,7802.92670832004,18504.07821735,11100.7248458279,8342.97086634404,6915.93657934531,13652.8173970191,7135.64982760815,12792.2143827699,50399.1713566163,12646.826129376,14192.0439306628,3910.23987884727,7573.61015769443,16722.3721380269,102382.606209679,20337.1540696561,35442.2608464449,14570.954474437,20556.2355274661,64645.3766662442,16764.4015873463,45542.4426624052,24960.9325402703,22338.2958255407,19478.8604883788,26387.7891011949,28167.7539078352,34550.2778423947,36563.9913604143,27467.6217596741,14741.9309442913,23718.2754515246,19133.5968785375,13930.9733887726,15268.6637502553,30841.9309827905,40700.6323420293,28766.1665006491,48225.3679757001,18795.0822039828,16089.3073575389,37856.9441499137,30859.0738806599,22896.4221232586,31238.6329493321,31514.0282584758]
["2.12_310.0021m/z",310.002115198589,2.11676666666667,"neg","Flurochloridone","HMDB0252372","68841",null,"C11100","91677","61213-25-0","OQZCSNDVOWYALR-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrrolidines","Phenylpyrrolidines","*",38.1,33.2,"M-H","C12H10Cl2F3NO",0.764046737136141,1.74874780037363,6.10244399898082e-12,1.12929116447806e-09,0.706273288580554,1.63158402707827,33220.55160979,20360.9198536217,38654.5445707036,41288.2156953784,40799.8133606744,30592.8388835902,34380.3937388146,27603.4063510237,18508.7220905254,29372.5418479178,35114.7300028526,25238.0572794468,27963.049032927,23280.407938359,37360.8044566832,33823.3190348803,37379.032647657,23573.4409916157,20067.3431741398,26273.3844537786,36316.6058605,31761.515499933,27859.4932642727,33402.6354970831,35383.5016621961,31570.0774512201,30371.2964649036,43024.9114866285,39481.6758712995,41659.9574873255,61072.5345809466,26069.8491448547,33529.0466920615,34457.3306067542,39043.7260021236,19114.259329593,23885.412489297,18880.9498328051,23030.8294084738,25375.924153237,19138.2514515458,20452.2684985598,18621.7184087633,23229.4796564945,21823.8197387123,14765.9002482934,24287.6629956332,17174.4581653549,23043.1618315771,19271.829412158,17084.5195950411,18378.9114485891,17891.0097226157,19987.1174539408,15588.2629681939,31543.6517580286,17953.8652820357,18481.0779652883,24980.8989321993,16060.5355294049,21057.3802726492,22552.8665422219,21911.9346519058,16526.0591565811,17719.4386660603,20024.8577057065,20373.1177781101,21698.9241204465]
["5.59_213.0221m/z",213.022056280289,5.58501666666667,"neg","4-Allylphenol sulfate","HMDB0170765",{"$nulls":3},"66633409","1823179-01-6","KFDHKOFCRYUXLA-UHFFFAOYSA-N","Organic acids and derivatives","Organic sulfuric acids and derivatives","Arylsulfates","*",47.5,47.7,"M-H","C9H10O4S",-3.02334584992537,1.74398832891607,9.57619696134917e-05,1.17673369905345E-3,-2.36914321741202,0.193560541110349,4823.48666942943,24919.7829359216,9115.5046051497,1116.6631650068,9625.30273361361,5678.67304140989,9783.63563893309,3648.94919178212,2017.87923385503,1315.14940656045,1950.14215152696,3864.7657228312,6232.46339732083,17016.7896319763,1851.62173218555,6380.73890608634,5318.57972502906,791.387477393352,3634.80541976961,2756.24276274654,10010.6415818207,2710.95674425325,6386.2367721454,2614.88471428175,1262.70367850031,8038.21103905992,1323.88817874769,13994.7351444331,1095.65765526151,6246.70916094128,4913.56444546112,2534.07127692488,4186.43993537533,18.2062173662625,1738.85960342228,101975.580005836,5336.01392743457,3061.55966790329,12537.8792690292,4246.80290222989,13330.3035668356,14866.3100712557,15083.1389479965,51835.4403400238,28577.3888418022,3584.54139302316,11376.9366396617,5008.20850077226,21645.3281313977,13119.7020554797,14028.1921241042,57546.8523885437,121872.57085278,43132.8156219771,53306.3901138754,35885.7381524677,36329.967789225,7887.52079116952,5596.23671462964,41535.0134922359,7310.21423336445,18164.3973959111,6354.1540639245,17800.440507502,22821.3057299235,9059.342119905,4134.90598668965,14001.6445465043]
["11.28_636.3498m/z",636.349818989353,11.2773166666667,"neg","Allodesmosine","HMDB0040704","95178",null,null,"101601848","129717-82-4","IQEPQBCFQPLNCF-UHFFFAOYSA-O","Organic acids and derivatives","Carboxylic acids and derivatives","Pentacarboxylic acids and derivatives","*",38.6,1.57,"M-H2O-H","C30H51N6O10+",1.51556286528908,1.74375075539126,0.000825661385711911,0.0061117290573475,-0.381452958246663,0.767664076029897,58490.6213660468,76192.9901273234,74348.1003679736,37711.2717155449,79081.782167614,64675.2719940611,47616.3316403511,80196.8084273423,15885.0909915459,13727.4020716414,62592.1452137088,44560.9789289972,35944.5164089965,31467.7041172118,36775.9540087284,63329.8924611431,53283.3422114229,61268.5511769177,98769.012085946,80329.5045562721,84734.1986232753,37441.3231311399,45979.0923930736,90387.0022487159,56120.5647447108,96642.5467930941,86034.6767132586,62137.136647967,85143.6991807051,51172.8182120579,58221.0651471536,39777.3224175477,86605.8088707293,36653.6137324557,31575.9756782414,74163.0766570839,57371.2603494738,95899.8635680112,85732.1037420412,118552.624190825,87480.59796676,63722.3496816136,94723.0233397719,90005.1746876547,113086.114275117,43805.2032479038,68286.984156903,64081.476816685,90324.1951036888,59265.0093966127,75064.4258778522,88437.7060517301,60405.2445884625,65031.7105065664,62265.2020223581,71346.301846622,104661.750878259,53253.0006547882,73979.8550333297,63629.0691431834,62881.7176688264,63434.9055327071,71431.6528263165,74281.1093960996,94990.6338028886,70494.4038656651,80030.5264088584,72250.4009170142]
["5.44_383.1535m/z",383.153475268525,5.4376,"neg","16beta-OH-Dhea sulfate","HMDB0244759",{"$nulls":3},"53420738",null,"UNURIUSTYBXRLV-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Sulfated steroids","*",40.3,6.21,"M-H","C19H28O6S",0.239704931466319,1.71228975399132,0.0282841007355336,0.0869135973709063,-1.00222812932972,0.499228385221216,25721.3070295258,51522.1245244865,28954.2176371823,29818.989628484,1249.7924195472,14335.7880138329,1726.82363588084,11169.968967727,4680.13457636138,163833.264997952,9481.05942950479,15120.2018083272,42389.0599004661,2494.77286122728,15357.6767563796,14934.8722105188,25101.1651486158,59103.0432376873,17849.2494515735,57335.1909173856,45553.4556470855,25286.880818749,14884.7260989859,18969.4869100118,4012.03905864138,10901.6462381165,12254.3141562625,19300.1112968844,19765.2251967166,31913.8559372194,4415.58317776232,4822.76117062735,16309.7982175025,9981.21131838829,95496.7651327441,38749.434661142,2939.00123155495,18516.5806547662,291771.057502195,165203.694586779,24728.9885155593,19281.0098435185,31362.1246271359,91815.6567595525,27441.5460391625,46128.656553041,14629.9850538594,105796.030866634,124219.962474124,109572.889873549,21456.3525347453,17788.6284109759,46426.5847634955,38770.8190699638,14868.7803121773,10918.1559716319,11004.2041945012,51068.5505176328,67396.8261987249,20379.2517879376,27549.2934747334,67012.1993553234,37454.0184257019,27530.5382302777,8935.20238797558,89948.1596378782,15571.7423986327,13994.1823931719]
["0.73_146.1173m/z",146.117304926895,0.7283,"pos","4-Trimethylammoniobutanoic acid","HMDB0001161",null,null,"C01181","725",null,"JHPNVNIEXXLNTR-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","**",59.3,19.7,"M+H","C7H15NO2",-1.72441316265479,1.69100743467591,1.61911925348704E-3,0.0103319659643014,0.404485615890096,1.32361689872873,95295.3736683526,71996.1899548723,69927.088194304,90113.9131000445,51159.6448872203,142155.589179751,130280.635824462,56011.284815444,107027.437818048,73872.4957009032,84368.4895172704,107703.642771415,78995.8641226855,114451.257693277,93637.7093021985,79579.7537605419,134218.107504924,40807.952667237,57661.6392186832,35921.6059704088,90214.141564589,120118.025316366,126367.117937141,94795.5394890199,107321.66587122,72068.0523496965,115780.816516795,153837.545597052,103422.313140773,116208.654347531,210765.245446274,63939.3748477019,71063.2615814068,68410.9090338082,82540.5559674421,69640.2304486095,77427.2464948774,94567.8208632846,73913.2842055365,77572.2181155136,91685.6618729958,86963.7357895874,83549.9640573935,76761.8310610218,65469.0082546664,34813.2681701668,85468.1491514281,58390.294632581,75816.229810582,31463.9972644721,71750.8336487565,72617.7051277953,55721.1144234673,73638.638201052,61381.0161104935,66290.2222115108,54721.9310472607,82710.2837215785,97261.959833757,107334.154814665,52680.3923554915,94422.983469889,56130.9542074099,68869.2469576637,112426.761451386,67067.0801612568,36550.3081565892,60795.7424180459]
["7.22_583.2566m/z",583.256553293312,7.22008333333333,"neg","(4E,15E)-Bilirubin","HMDB0240584",{"$nulls":3},"5315454","69853-44-7","BPYKTIZUTYGOLE-BMNRKXRESA-N","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Bilirubins","*",53.3,69.4,"M-H","C33H36N4O6",0.590203292490286,1.68067761071181,0.0145261138914005,0.0542449387581337,-0.484368964479206,0.714809659598958,71313.9257463348,99766.3151143554,40420.2308089057,55413.8493147954,37888.3464656692,41060.5667819419,79071.1802453733,221361.125488148,55828.0961528802,31167.8098008246,87284.3707133899,28464.0794548029,77889.5145205966,23001.4965674304,77271.1539505849,126411.196713153,45923.2783935617,97388.9792757482,76021.8833764107,31845.6124821435,33246.7312782941,176506.377980753,51820.0093135627,51213.3014604899,88492.4759096736,65002.7014062633,71232.4858606768,93794.1845667196,63089.4194468742,115831.326515402,12644.1923476338,98745.6693479663,34721.6458368722,139557.135715014,23749.1221364922,93231.8229964218,81389.1614940078,63198.3343279114,155564.525134715,65978.3733522,120062.266062268,102943.127794718,148387.055787923,101061.61445075,108404.188933013,81155.3104809252,75518.6618822054,91345.9531509998,113301.485677744,73925.8461300477,95895.1665247381,47650.1888639402,134682.695580848,107291.152759958,81195.4479640845,61340.456944182,91077.6305216179,136774.127030169,125904.514054357,249730.198029498,77218.5670801259,170137.781277967,44670.736396439,102659.385438833,154207.963690978,114927.815684124,10152.2299758564,11304.6133001611]
["0.62_130.0861m/z",130.086135678413,0.619883333333333,"pos","(1r,2s)-2-Aminocyclopentanecarboxylic acid","HMDB0242326",{"$nulls":3},"429614",null,"JWYOAMOZLZXDER-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","**",54.5,15.2,"M+H","C6H11NO2",-0.924629851225764,1.68052152082712,9.34828266448259e-05,1.16190781923103E-3,0.418838015842754,1.33685038693832,46470.4190438182,34761.121736476,45135.2464922968,34809.1400381803,58230.8460411357,37875.7211328252,62990.5916230763,43437.1552105989,47290.4638677882,21439.0480681866,62188.6397701318,51646.2460315791,32512.6791827258,39043.1736710769,33221.8946517918,79571.1440574774,39932.9300551729,41351.0112150072,42161.3393138211,34010.3941759069,49135.7386284399,44850.269233998,36932.3342207252,29128.53835502,75529.4456460165,78974.8086902361,51129.1773484,35430.9750019363,39298.9353826246,47405.5197493333,49053.2999942588,41512.5351689048,78094.274072955,36427.5088507771,33772.8035035946,36459.7235035474,31301.9827638692,28839.0245347109,38652.7374504095,31627.0185439964,31434.9299321732,34151.792649428,38632.9589080545,25569.0389669039,41673.8716632872,27268.311882319,27090.2418123274,33043.0174081704,26129.5469323826,36445.4408188563,42534.8794666648,34370.89740926,33516.0041673559,31214.4887160294,39975.6002374592,40422.7685145157,30139.0180069592,44268.4456456113,50276.387965116,40340.0109555195,37758.1401096173,39537.8960171543,33806.9936670761,28102.3504227249,37612.0285016271,42447.0255486477,27349.3962168447,25125.0479650896]
["4.84_672.2445m/z",672.244456234379,4.84415,"neg","F1alpha","HMDB0252153",{"$nulls":3},"72813999",null,"JPQYDUJDUQNSHE-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","*",39.5,8.15,"M-H","C25H43N3O18",-3.60767040054709,1.67762814881676,0.0043223649505291,0.0220149811165328,-0.451178866401094,0.73144491964674,62931.5402504562,86037.2921598112,88172.9740147268,87250.8305253599,165.962182498921,10736.0606664522,16256.0901552945,45667.3197148994,82354.0167247367,67138.3168000291,79032.0323121056,29349.2828567143,60906.6435441236,89021.4581680575,65707.4182313851,18011.1661232434,69103.958105897,62498.7372465036,70857.5311652523,88657.1390694162,18681.4987621379,142031.068461252,38870.2619110035,42841.4720830103,63241.9311664719,114348.360060012,94625.5296218535,57934.8738362556,37104.033129158,84177.4919651765,120545.979931861,58984.4178443717,49132.2737367074,97989.3030527237,25345.395096364,125985.573220192,101888.97236718,106702.927251887,98436.3100520548,41628.1842827313,22039.7306888365,93971.0733199063,70883.0216346471,37907.1475097469,77733.0230128209,95004.2516773769,121958.294361349,85207.2517712665,61270.4924556365,99433.7690659864,77691.507026259,90118.8049480043,149278.324448497,135943.872689346,111119.5552214,61083.0294123742,74206.656551823,91306.9732182608,81154.7508712825,60506.2149048369,79482.4235381825,75585.0601584976,51877.5010123523,146152.639278562,67398.8660735949,93598.8487403838,53172.6706834809,99502.9198250135]
["3.37_213.0821n",214.089368213516,3.37238333333333,"pos","2-(4-Methyl-5-thiazolyl)ethyl butanoate","HMDB0032418","88442",null,null,"3023838","94159-31-6","GDRZNYCKSKHESZ-UHFFFAOYSA-N","Organoheterocyclic compounds","Azoles","Thiazoles","*",40,3.1,"M+H, M+Na, M+K","C10H15NO2S",-1.21053411660399,1.67153443168478,0.0025330206336161,0.0145473995354746,2.50105314680915,5.66098518001286,23069.6228954202,4075.19577632383,2784.41492242453,3617.17142854932,30274.7090825889,127936.41903429,7064.27056104789,3139.22944823233,56982.7202808172,2595.52343069456,2585.91424018695,3301.88064433826,3638.73863678979,3752.36427312123,3351.87513691262,4804.14389439986,3636.88034040979,3067.08059701669,23676.7110627149,3233.42827352287,3143.20754686702,37315.4348906203,3147.0998003034,72099.8071662271,2402.7859227837,23458.9500157224,10718.2387993817,79212.4263219282,3480.30550158559,2196.47537882409,2822.46033881075,121254.652205151,38651.6693616999,3096.94530561686,68853.6217052872,2752.16340994862,3085.20718706776,4055.94446760098,2641.67324046619,3299.33622671148,4335.23390094505,3925.50856877364,3201.38734950361,3933.91125323085,2120.93572329935,3791.29814157054,3527.92227709873,3834.33477921089,4278.30547039989,2698.10891362546,4389.35101698158,3501.388753293,3051.46831437734,12286.08587949,4150.60223701049,3091.6062930447,2843.51668602008,3259.60710439511,2700.6972466983,2745.35539227264,3372.71229718866,3093.50350813017,18656.0978329068,3232.09807328254,2306.06241206526,2941.59766081985,3647.43477645668,3731.00422480011]
["0.74_199.0371m/z",199.037118721311,0.7376,"neg","Diethylphosphate","HMDB0012209","62856",null,"C06608","654","598-02-7","UCQFCFPECQILOL-UHFFFAOYSA-N","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","*",38.8,0,"M+FA-H","C4H11O4P",-3.76273433501373,1.65747782931859,1.03847992078384E-4,0.00125502548648124,-1.07759837382899,0.473816920961355,14959.6139594046,31572.5616743533,3102.03281676722,4031.14366477965,5918.78817724158,20517.7219412103,13876.5610323523,1020.87693885439,33929.4419831476,3326.76235717066,19424.0563274656,9003.14181104816,23945.0066985357,4892.15153910321,13500.2869692261,1129.16941399359,5000.19843461408,9800.73331422549,21449.8621370069,1818.82999912354,35260.1183174621,8191.94967354736,13624.1838714708,29078.1715067378,12691.5704948901,38940.6148868129,2520.01025355015,8980.56343365447,24068.3427752717,34814.9266317056,23574.4750440546,23780.9547763092,16992.2716790856,23160.0285597111,2302.3132002221,54999.5552650455,6588.63276595068,50030.5748684204,29303.5475931652,23791.2408230912,54037.8806354601,20128.8251090649,61185.6417645815,40189.2569815745,58620.1566608238,4552.39826556445,80243.4086576977,1788.54061561354,2363.46450512962,1901.02214746793,39929.796006567,23583.4753900931,25595.2736142657,45189.7280847681,37602.8117718582,39602.9244323496,52100.5945415486,11949.0490315406,12804.8547049377,45144.8952178592,22229.2779991728,30819.1544055213,25638.2567988259,16373.4884905056,55389.3325364131,34770.0083648153,9765.34281857875,23682.1243853888]
["9.57_208.1825n",209.189779198852,9.56605,"pos","2-Cyclotetradecen-1-one","HMDB0039884","94428",null,null,"6365540","55395-12-5","RYRDADIPPFMIQM-ZRDIBKRKSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","*",48.3,44.9,"M+H-H2O, M+H","C14H24O",-1.0213258486069,1.65525261924516,4.266852366138e-05,0.00062611829214122,0.772325761178108,1.70802105715322,46433.9391375488,27185.8118745567,39184.6731582256,18663.7906397727,24769.1854736184,23857.5741855462,24083.2936462262,43265.1389948705,52970.7600883405,59623.9891534857,36151.2487069503,46524.2271161207,59524.1389767899,83531.8539338634,39975.3391201644,56910.2318241365,71966.9272683915,87140.2444436281,24363.6716526323,55826.5408441742,13075.1016908178,95175.9246749489,32487.1359637508,49524.5407225837,42026.4856383779,72671.2148005414,51322.161228829,17039.9343186625,58370.0279175736,21941.5548915249,66387.2688891078,47951.116321879,37996.0837119465,49207.5504431886,28811.0610984404,17836.8995435283,20103.0953188334,13972.693751115,17337.1044228897,19301.1035723731,19579.7600523981,18545.8473784533,14880.3979652798,17290.7975064394,13411.3188272349,20100.5716738668,27135.6068770529,17279.4529801089,41612.2684260223,10970.8012230879,23100.1537773235,48940.4802331097,21821.3330118403,18515.1860445127,21140.3427675626,34044.1803213211,46106.0869597995,71477.9423250158,21619.0549792288,55105.4680124335,43559.8189230998,35904.1996192387,23537.9884147187,40866.040115343,37425.2895918801,23110.7610036549,19947.1563199584,21552.5899216462]
["10.24_319.2239m/z",319.223936805766,10.244,"pos","Prostaglandin B1","HMDB0002982","408","LMFA03010131","C00959","5280388","13345-51-2","YBHMPNRDOVPQIN-VSOYFRJCSA-N","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","**",56.9,0,"M+H-H2O","C20H32O4",-8.43008717833524,1.63960499155305,0.000781157943219243,0.00582813476062586,0.129963548124139,1.09426605262184,183413.594530819,167613.346033503,167329.12032025,172984.328656246,163923.6787072,172240.145864641,183227.531814026,162238.461062,249515.476802629,198240.538053206,158442.52098397,189062.009126934,208845.857319813,200335.317631225,208493.082362996,216085.707497466,194734.021384463,192295.816654678,197496.191524436,160775.305388643,188928.390759742,206127.74911505,184725.218536743,163366.437475817,171810.893325174,185149.081690798,175357.371100459,165300.953938572,177704.177245509,159279.807091934,168085.57298488,210682.816481888,174839.439361235,158362.137481054,166663.461773364,171813.396608334,146484.427068013,167818.039344266,160393.864094942,157410.106059633,154370.989316237,178387.339165162,155150.361508872,146928.834715085,158685.317155106,173214.80195055,172859.499216114,200647.563820465,134251.793292234,155231.64810253,194219.353934806,175994.354615514,178609.262796895,148810.813492956,164672.268382541,159899.668097978,165898.575605367,192997.190932766,161849.152076641,160868.676892769,179201.760681827,179958.616096294,165174.002100296,179717.864057297,164734.163544267,159917.602032466,185985.121742952,179083.990604415]
["9.06_209.1170m/z",209.11702767599,9.05726666666667,"pos","5-Deoxydiplosporin","HMDB0030681","87138",null,null,"131751070",null,"CVHITWPBDVBDIQ-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrans","Pyranones and derivatives","***",49,48.7,"M+H","C12H16O3",-0.928008563326938,1.63738462111542,7.03182053763734e-05,0.000935615319146182,-1.04616719532801,0.484252970814638,14196.4829900217,29316.2537880553,21576.6285418318,3171.5198416737,53583.0023089208,22398.2704061994,10214.8963772496,11253.5684815234,4495.41992861361,7881.76504915587,10109.3276122425,9697.29339652461,18320.1895897183,14588.6683554491,28676.6108611082,6002.16402972092,23286.8195106128,6092.24997963444,6804.36223932079,8813.30426974096,7097.91662813626,11698.5037096916,9367.56551362046,19097.0801799871,8948.2991463395,7178.88439044711,6275.36866202789,10955.0200537695,6864.69636469256,10628.4805152218,61995.3124611942,11914.7324297845,16979.7386630532,4457.01746103117,8059.26171247768,16992.9556408226,77365.8823591172,19613.6302653969,33374.4702700933,15655.1379734656,18543.8601902169,78017.4372651531,13810.8609930452,47318.2260574702,27221.9216749434,19910.0306043942,21151.1265364601,23857.0719360453,24487.9058363654,33939.9062075041,31218.564706339,27113.9047336453,14587.0175315415,17718.6257550937,18301.1965961875,11444.0548124054,14039.3363840388,30369.8952310123,37734.2968619497,29289.1024354478,46414.3917424868,16524.5640528434,19578.8432057004,44578.9761858302,29319.7639089549,32795.411230466,36256.9151054223,38891.0907159666]
["3.59_257.9689m/z",257.968884690735,3.58573333333333,"neg","1-hydroxy-2-methyl-2-(E)-butenyl 4-diphosphate","HMDB0304014",{"$nulls":5},"MDSIZRKJVDMQOQ-UHFFFAOYSA-K","Lipids and lipid-like molecules","Prenol lipids","Isoprenoid phosphates","*",38.6,0,"M-H","C5H9O8P2-3",-4.26439893305654,1.62412529357848,4.22672379356987e-05,0.00062297420160979,-1.64406359914256,0.31995399843686,6677.39747028059,20869.867239988,1951.11374068221,8350.10116329807,3827.4437555099,3837.53187983095,22574.7753945052,17838.6928260816,2.78597719902934E-10,242.539714366118,958.102305913266,432.557665758311,6448.77272132222,1240.95295970536,1911.25270124387,20726.5014358569,664.084913857457,455.80643455787,472.849870419666,26588.9735867543,1211.28149857557,18750.6586803804,82.8195565959985,1188.74944017236,3422.11321031191,21218.5766747428,66.7694421286403,1395.19756079445,2557.71678268037,6417.54278778717,35305.9871342417,1662.73715609396,434.512695543697,7799.01250790454,318.388321642378,28929.4961553171,46588.597721091,25303.5118918808,51704.1823014362,21326.9550437278,8065.8969796632,15245.1656529522,15334.8849505357,48388.4154448223,2414.31343459784,6934.03197772994,8960.21679379874,8974.9992502713,11913.820701655,6054.91304590014,4495.93862905168,13718.9802571332,35087.2914716158,39784.9020493933,25491.9341397298,11717.6801182648,2119.34172168878,32009.5049291852,49411.1550384042,49099.6634396262,7199.74895889187,6811.54060136314,5336.81166153616,5599.12964602742,36368.2583155187,13184.0540777343,14025.5898096264,31104.6927094324]
["3.04_188.9856m/z",188.985588866649,3.03586666666667,"neg","Hydroquinone sulfate","HMDB0240263","1830",null,null,"161220","17438-29-8","FPXPQMOQWJZYBL-UHFFFAOYSA-N","Organic acids and derivatives","Organic sulfuric acids and derivatives","Arylsulfates","*",43.3,27.4,"M-H","C6H6O5S",-3.83692710176655,1.62085998919686,4.7750296128256e-05,0.000682644791430132,-2.84485540568187,0.139191652082878,3151.72857988969,22643.0862248339,15555.5485297862,1499.56252925249,1521.51423744583,6531.97304619501,556.726929773075,29072.9587606345,102.287449182302,568.83149498551,2.78597719902934E-10,7571.3213005194,1322.00020982296,577.712442633254,9037.9594471298,2017.07451963189,327.574058522893,2.78597719902934E-10,229.0686062798,2093.13405178107,504.50625917176,1884.50537849345,2.78597719902934E-10,2.78597719902934E-10,334.115421922952,1370.17019111159,97.0253064835896,102.31409830686,1209.75917192885,8626.06757500819,4050.4208027922,2385.85941811583,12.0800229103689,2743.48864725802,2101.48322927884,6846.35592303725,41805.9283337807,12997.9497432883,36344.8063253212,24571.061684603,24913.8240580779,15314.6478725599,33352.8116067864,30934.9240275461,13620.1886699672,1435.55992638292,10004.1000019669,20096.4282530935,1196.12103159556,96786.9217110704,15246.6144377877,4747.3462856027,8358.03086813252,11222.0095442921,20949.7152934388,16687.2061424561,25443.0407757706,7024.84813540346,6045.20165514537,4891.46013463622,22276.4967046459,2480.2220548013,114904.639183467,5680.93657277322,14780.8109013641,55599.1685382342,9085.60530113278,31576.8637213571]
["9.34_357.2874n",358.294626543497,9.33853333333333,"pos","Tridecanoylcarnitine","HMDB0241308",{"$nulls":3},"3072472",null,"OLAOWMDKXPIITQ-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","***",59.2,86.9,"M+H, M+Na","C20H39NO4",-1.56350735421296,1.61617478670809,0.0434393425275944,0.117639390210908,-1.0553273829416,0.481188015780437,26377.7847131127,54818.0416969251,27118.4100477041,23127.6212601044,124287.787490949,31651.9982217806,19018.6518394404,10914.0793023303,51429.0087780644,8671.30108993279,20152.7627573247,22121.5854136401,3729.06634841852,27854.5061865437,52068.7382410582,13080.5809211621,36726.6677774686,12862.2687669687,13940.8581468709,12233.3855591015,16001.171628646,39575.4020301803,33054.2811780356,11405.0045582344,3305.20220161158,11502.6503484013,11810.1276801363,18434.8977223613,12415.3218699806,55047.0797596767,65799.8256018245,15293.6017993897,11110.6025862839,19085.3644218175,35637.0839972757,27487.1542320907,31908.2960917095,21211.645736663,54886.9483765043,34733.1067816472,14485.1035904367,251272.687096006,5348.77537464152,34028.4819413672,15282.8510746746,8178.31243510472,26790.0218744159,37280.5350696573,56241.6663298156,38224.5636106475,45624.0662232289,113280.291822632,74429.6607182566,13375.8601118361,32343.8331901571,6658.94002560976,2126.87473396152,63401.3773024272,47861.5843928977,51678.6782371529,142875.44868641,17664.9496823356,50891.4543320984,383189.699802148,21372.9131006287,16608.4199316626,12967.478304211,55283.6957854941]
["2.12_504.0091m/z",504.009058072011,2.11676666666667,"neg","alpha,beta-Methylene ATP","HMDB0248246",{"$nulls":3},"3104",null,"CAWZRIXWFRFUQB-UHFFFAOYSA-N","Nucleosides, nucleotides, and analogues","Purine nucleotides","Purine ribonucleotides","*",39.5,0.108,"M-H","C11H18N5O12P3",-0.289935030598584,1.61306493939074,2.40482495426414e-12,5.00654495165865E-10,0.643298041310513,1.56189561842772,28818.8486038297,18451.2001082634,30258.7681450462,35336.6968197439,34764.1618296909,28410.5930578534,32047.9781119198,24217.2622400147,17192.1657798148,26483.8317976476,28733.9958772023,23018.9271327118,24171.367355851,20577.7124922341,33031.1214219932,30204.9249816341,32324.2114687209,22475.5982287883,17980.2984449474,22157.6634581778,30653.4675442591,29055.1749605547,22781.913573654,28780.7571028041,30983.789212304,26993.6841485675,28384.035543955,37391.1348345792,33870.4294799716,36417.4566690091,48293.4847943243,26052.9592327985,27729.3728781199,30240.7735544311,30006.2917530574,17884.8398092358,21583.4336769935,16553.4482334078,21613.4913266219,21872.0731698233,17798.2190151244,18814.6903163872,10774.7460820618,19602.9825454147,19739.3722998333,14052.640557421,20678.5011123029,16323.5018719776,20577.8456969306,18735.8743390766,17157.3923798771,17096.0021006585,17345.6884015164,17875.4755813149,13341.9034439765,28333.9428156999,16522.0207561689,18036.2950396717,23182.1426408701,15896.1082304588,18995.1381147114,21480.3648232714,20149.1554707854,16060.4413935808,16843.0498545918,17807.1831298966,17887.7540724306,18273.8852706002]
["11.26_663.4495m/z",663.449520416234,11.26475,"pos","Goyaglycoside c","HMDB0038349",{"$nulls":5},"JYKQEJLWLRMCRC-MHWRWJLKSA-N","Lipids and lipid-like molecules","Prenol lipids","Terpene glycosides","*",39.5,27.2,"M+H","C38H62O9",4.31800995638466,1.60732008270824,1.55352947362921e-05,0.000304400392744641,-0.244689086058424,0.843997665727947,78339.2267956725,92819.2458069241,76080.0597365319,64908.8790317081,86002.6096051945,83641.9401741302,83872.1629992405,73073.940914835,71499.6886545831,68610.8838824905,102608.659015221,71512.6332767618,48873.8386111869,64579.1101393791,69387.568696841,81453.6326388942,75359.5235274846,63793.066483005,90682.38006085,84944.3902623655,89708.6956745451,78660.0236871692,76685.1713754315,91578.3843563401,80354.1910391573,61955.8595972428,88889.985165973,89803.209491345,83003.5131430699,92731.2457250417,72177.0634769046,77159.7579819954,96030.3029450934,69544.5247614909,76027.5881256882,89319.7394072632,77866.2522974999,87667.4258502492,107778.140470196,99123.5348619831,98590.4795734163,72918.5587697781,118563.29847413,86725.9120904011,116656.057981328,96828.0362548162,68233.2340397375,90560.1674529966,114020.798013915,103564.767678453,98182.4255435315,104005.617553389,90282.5869653749,96678.6006223882,87019.3984293803,91318.8316604863,98155.0970964988,89260.116327464,101827.924889257,95165.5245490853,84371.7040488291,78784.800477054,100016.851035425,86107.3606520996,109181.854958352,88660.989355278,80261.4041988947,55337.6200495452]
["0.69_148.0601m/z",148.060148204652,0.694966666666667,"pos","L-Glutamic acid","HMDB0000148","19",null,"C00025","33032","56-86-0","WHUUTDBJXJRKMK-VKHMYHEASA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",67.2,61.1,"M+H","C5H9NO4",-1.94486825585358,1.60681359564551,7.24712872570593e-07,3.0670433811309e-05,0.740069013126095,1.67025573572298,37780.7549660518,22619.742688504,57557.2529992031,41081.0258357983,89060.0208856801,42901.9138644186,21683.8670580612,24794.3820666795,27876.4998945829,29001.2512525396,29965.137308001,31306.1433050516,52201.7177747907,29334.1629623156,45240.8791734402,46811.2096555347,43466.8577831847,25091.8290781481,28919.0686149998,39618.8098060162,72548.4357875423,37808.5627252942,15635.7567857724,26662.9233823613,40406.5484813519,33054.1525487177,27238.5610566654,28476.4756646479,48344.8808561657,34259.5247952871,40603.1535369704,21884.4444077762,41398.8687207583,36339.228532987,36191.3672789656,15482.8650248893,18085.5423432401,19549.9658965538,29911.2720454851,32326.7286363664,15940.1569664072,20967.3370742801,25824.7943444342,26520.6879094093,24090.8414236396,22547.3540790075,21821.4326928574,27126.4972435136,34207.295485496,37035.3817170668,15005.867417733,16038.1962474966,22851.5430077141,23632.2223005072,18166.3007222619,26205.7495305655,19598.5950241198,21066.652217004,29590.8205118957,13178.4425199366,27708.0610094081,24534.8484777272,28019.7356772778,19113.2240268203,18576.4011507258,18945.4855837746,15357.416366931,17423.7940460866]
["0.77_192.0263n",191.018991399748,0.77085,"neg","Isocitric acid","HMDB0000193","3328",null,"C00311","1198","320-77-4","ODBLHEXUDAPZAU-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Tricarboxylic acids and derivatives","***",59.7,55.2,"M-H2O-H, M-H","C6H8O7",-3.82634588728562,1.5946665658728,1.55844030146952E-4,1.74200155845468E-3,-0.493067578271101,0.710512739195077,37045.2568410317,52138.7651444496,29972.1020022728,32074.1596382429,56599.5704715882,43107.2706724337,42658.1153948391,22863.6186166943,33266.022513743,23868.0395451568,32446.6073111746,49021.6491084844,59728.6190400672,16955.6906806285,28583.667481059,21051.3003348401,48996.1445082644,36546.3201289769,69131.3987763679,22119.5547594472,35307.4698630421,24734.3788063814,34144.9790292313,21731.3086009017,20468.7041764187,27564.803330125,29422.4116757524,22549.8358666778,22560.9186538216,56900.8724259625,55684.9707312979,25098.9397398089,50315.3536361399,40789.2126301111,86229.4656040935,37157.7338302627,66258.6445363027,66072.795113689,54141.4583447251,36682.5968654994,50629.7127845572,40560.9429613507,41451.0648449172,44002.6037526119,65687.8104003649,36925.0410114338,85098.6095480854,61384.7605381521,34810.395405332,57344.190077188,53971.9402644681,46845.662191257,31740.2653304859,50724.4449120789,44531.817013913,31519.0632498385,47864.579132654,56264.2896443287,59510.2214318424,47759.5174498784,70067.1384181685,71121.1027731467,35483.1099454433,37422.3604786581,78118.8623828426,65233.7731377291,67756.1884814255,46436.5535142067]
["12.02_246.1314m/z",246.131440072103,12.01565,"pos","(R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid","HMDB0247375",{"$nulls":3},"22487663",null,"QVOPNRRQHPWQMF-UHFFFAOYSA-N","Organoheterocyclic compounds","Oxazinanes","Morpholines","*",36,0,"M+H","C11H19NO5",-8.8079966421534,1.59447555800489,1.23887315341117e-05,2.61182688228646E-4,2.61527690768124,6.12740795658886,13698.4754914576,2235.6068974855,7494.76421731419,5071.09817623781,31744.9715932405,25462.184288764,19453.4090901576,11673.0965045571,2506.13114375716,8425.20853824805,1828.83676552757,15403.1983744336,7479.40803081068,21723.3404496831,1205.93779185745,29559.5945919623,2770.48110505141,6606.8034528957,52059.9544310489,3110.06312335055,1296.65365272773,4601.37377300557,18035.8351849548,16829.2398051362,10382.1062769153,7353.40011751725,6673.48600788216,17171.8901157606,8152.35976761808,8757.62158958368,15993.683123864,9659.76296872543,60267.8323867852,11472.7723380586,1823.19244066795,1484.22142259529,2081.27962859602,1533.22780038841,771.015179228394,2923.55062469418,767.326057600758,1543.22949980894,1852.23199846224,2849.56833928849,1793.76834704408,1223.39618975365,1351.19059408535,2663.86414491952,1674.29769890007,853.204051789804,1064.66810430015,1893.0898024344,878.217075784943,940.856933684815,1003.30478324745,1914.25563613957,1346.30573561302,1890.94017335772,2651.24189074214,1399.99383770157,1285.52302055054,1208.23425676925,1126.65167321764,1017.40169343661,1499.78736708955,2499.08787705636,13620.778239476,11169.3179392645]
["11.28_512.2468n",513.254100854444,11.2835666666667,"pos","Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]","HMDB0038738","93391",null,null,"73981596",null,"QAIPLYVRKVVKMO-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acyl glycosides","*",47.4,44.8,"M+H, M+K, M+Na","C22H40O13",-0.130629657600679,1.59247329692972,0.00700759447175843,0.0317150776975915,6.02837084758468,65.2710276010827,30749.5946437891,471.106335750091,240143.891949542,234.469556351009,180175.470083165,123129.789173418,24588.5417686768,11964.7440611889,255.221102830957,250.163322780283,39278.0765769874,616.082807163552,2.78597719902934E-10,432.861972141363,65630.4868928973,676.840102566214,2.78597719902934E-10,326.357766180009,380.001779898829,18184.3906419079,450.176115564885,270.244646663111,2.78597719902934E-10,33828.3220098387,404.672210103944,847.45756163568,2.78597719902934E-10,81383.6012104097,2.78597719902934E-10,2.78597719902934E-10,189426.26488833,404.182726553314,1187.21398148838,267.098336756367,2.78597719902934E-10,5363.905362844,362.943328743611,567.709288839856,240.371020618069,207.996759754695,2.78597719902934E-10,2.78597719902934E-10,285.679283382727,267.380973267999,284.77042019143,335.474387102845,456.637156068532,1624.87170481793,272.291339000508,1441.92072022464,2.78597719902934E-10,380.188247282664,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,355.287084651939,266.54208859844,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,241.787488562709,345.240842569388,1257.99554939929,2.78597719902934E-10,2.78597719902934E-10,689.632194630201,297.88383919819]
["1.62_203.1390m/z",203.138952767529,1.61945,"pos","Isoleucyl-Alanine","HMDB0028900",{"$nulls":3},"5246009",null,"RCFDOSNHHZGBOY-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","**",52.5,6.91,"M+H","C9H18N2O3",-0.327063972275417,1.58832815879385,4.93638492246303e-18,1.64430981767243E-14,-2.35424792195981,0.195569334658698,2209.125599545,11295.8690757951,1513.26777377247,838.381966821597,82.166782196019,500.660243788579,902.609160604121,1134.13930565834,4106.99095360999,408.53797638834,3531.71458577559,3658.69147716202,4158.52016231011,4428.33918561119,1685.54502680395,305.855454933351,1600.73638793663,3929.72185503573,3946.41518629961,4510.90001580678,776.775585170563,4553.2895925249,2983.68902899209,3164.99261240576,2002.89744662031,1898.09592455784,5557.263613778,1477.52763813312,1135.05460320861,720.899973526149,1036.03242627956,1826.27815792402,2640.39907251417,1560.71996424929,324.035644586312,10317.5767648922,19401.838819727,9402.72169347985,11022.4152102135,11492.1763107819,7903.18707630359,13126.5235400525,7160.3315001623,5568.98955004329,11061.2654447017,12050.5789944515,18810.5477236908,19910.524367764,10781.5837374716,9773.7123596765,14297.2621860905,17941.6183577845,15557.9917274234,9804.90902375275,10726.0085314815,10272.5233754738,10176.6525594602,13336.1121621789,9333.68200055907,6465.04404795752,6881.95810116996,12502.8020858118,4546.44801847266,18431.9157674173,9410.49746615823,9922.03056889288,8777.30738810698,6594.94303963341]
["7.57_521.2782n",522.285446580026,7.56873333333333,"pos","Batrachotoxinin A 20-alpha-benzoate","HMDB0248883",{"$nulls":3},"73715310",null,"BQDUFJGPBNLKPK-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","*",51.9,65.3,"M+H, M+Na","C31H39NO6",0.829068851709414,1.57536775699887,0.0414338136467622,0.114062837402781,1.3203054447624,2.49718974229648,40638.7959610304,16273.8118264325,18110.1627419889,1865.88272016032,99222.6128393661,4412.26786369083,22355.8218122716,49353.6424192835,52403.620783227,6259.27729314099,15934.0689641038,41838.1742301221,37468.06691994,13654.0390635491,53768.2989780473,19590.7316347945,112060.833413022,4272.01277683841,1528.08003483399,8980.10436430076,2336.41238332483,21991.1099101344,22940.3746837059,100987.161899178,171516.782332461,2648.76835225455,6149.63892478542,59649.500853854,315696.492227616,21070.4310193661,27861.8721162258,300.397230080875,13064.8261631212,1821.60417310115,9967.19559211316,8180.04165597759,7171.78244715942,9903.12353005587,6164.96286805916,11518.6690682048,8077.31545291746,8362.11869685858,16993.2292659509,6977.47320208189,5465.37008445865,32524.8892110404,19132.0978066021,5658.07393558075,1685.97575905891,4498.74034763955,185.841811949226,19146.6964386545,28270.5981907172,29341.8688341371,2343.80548826508,833.524658717753,12909.8512517053,10607.8276794854,969.562177562587,17363.8226239801,23912.2340521308,3828.49331411432,8161.47912357214,46354.9695492621,7767.47068097889,29413.2993968008,135582.674424689,7727.90724390409]
["10.22_449.2547m/z",449.254694616763,10.2202,"neg","17-Hydroxyandrostane-3-glucuronide","HMDB0010359",{"$nulls":3},"53480454","65535-18-4","GYNWSIBKBBWJJW-JRTXBCKMSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroidal glycosides","*",42,14.5,"M-H2O-H","C25H40O8",0.464467947530537,1.56372920118361,0.0326531287705637,0.0961693827893438,-0.601024801114027,0.65928547348937,31530.1297660956,47824.6996695036,65730.3536114388,27474.7971478649,25479.1856768092,59371.5009232008,3514.80096556289,4122.59892844001,3952.14799772586,19486.2966918774,11031.7909561174,27765.4587173198,54420.0764450855,1193.81479425823,19760.1769298844,10772.1950857622,44591.8449485629,95508.400800743,5754.77578684117,83129.8677742379,58643.9089893268,30280.0847448759,8521.44885036954,10887.7853287696,27690.7618104183,21840.3086293003,22311.7813539321,47900.9114633879,9768.72153904695,71996.7646066506,104229.943543476,21251.3333158602,6279.47257910821,5931.03344646475,29899.9378984344,86531.2987335791,35273.4476207204,29769.9836418798,168535.207474788,30923.9480659972,59407.7755349423,72318.4221226906,57230.3946354592,52350.8235059974,54440.2820040578,14780.4897194094,35814.1822225451,24287.4235321786,78127.465427657,19293.4349964848,30597.6985639665,15585.0979957739,10745.4629197158,75281.0521072423,38096.312916241,40704.0139093933,17540.4504439068,40171.5441822654,33178.0136828178,65792.4857483176,104257.527009171,31146.6321115424,27761.1770759004,36071.0074733309,62137.5319385304,72890.8745681103,1959.10710887385,55214.5201001312]
["8.97_356.2790m/z",356.279008310585,8.96701666666667,"pos","(11E)-Tridec-11-enoylcarnitine","HMDB0241312",{"$nulls":5},"AGSPXZUFOLSCBN-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",49.1,62.4,"M+H","C20H37NO4",-1.48278125254878,1.54308233483634,6.30004911455072e-05,0.000856549534717079,-0.941506501631943,0.520688878866662,13330.3282918728,25601.3309154744,16448.0521970992,22747.2934723576,32817.9154124663,10705.7282904051,12229.0906847035,13176.3746501756,14792.3457352539,7768.1332141367,9051.94744005653,12163.9129011515,19264.1638675694,12076.3619759129,19682.2888334003,7692.2618185828,22479.6327475318,9851.65767330142,7181.07972439905,8882.74802223909,15385.6078122156,14413.4971875546,14112.7765808035,11938.3148036316,3972.22255609072,7500.94004430541,8332.58637900936,11400.5349176775,9273.25114122196,15420.9040895049,26746.6070425174,7107.66254806898,5425.50168278711,9306.7543124804,20552.6838731894,18460.9926807053,31792.3470907366,23952.3429241439,26814.3607446508,19518.9147426433,16786.0951654035,61433.620765543,7161.80098774291,27295.3389859262,12956.4098478376,8207.09475869515,20737.2491258118,25963.373359272,21245.6070531242,28355.8793130063,38260.3154891906,41231.3379103361,28669.9330685818,11739.4690558494,26544.5395235364,9766.24750922205,5468.26731345282,34587.5645367599,31370.0436394016,33455.4500157559,36180.3858970923,17013.7336288795,18238.4116087257,81950.641266446,19522.0192765437,21290.4138391001,18275.9124293169,20597.8066572212]
["11.47_1159.7124m/z",1159.71238180502,11.46885,"neg","Ganglioside GM3 (d18:1/18:1(11Z))","HMDB0011929","62631",null,null,"53481205",null,"JSZYPYTXNLIPMV-MORHDKTASA-N","Lipids and lipid-like molecules","Sphingolipids","Glycosphingolipids","*",36.5,0,"M-H2O-H","C59H106N2O21",1.20002601817146,1.53257474106616,5.86062318867038e-05,0.000803363614874939,-0.644077053794192,0.639902029085114,21985.9134464356,34358.2493055531,30893.6029880999,12023.2252814009,31751.1099057429,26228.8273787526,18144.2481794993,36562.7873101886,2499.47692306245,347.604344212747,19957.7403175527,12845.4131670894,8243.72512699336,4737.85863897116,8314.07182203884,25711.9289694513,19531.659305455,21018.9239310837,45216.5777063487,30459.0267655988,35380.7677659891,11562.2682516298,19253.6768722553,37286.3422467476,19872.6224886773,42072.6774972386,37409.0700602048,27569.1715002847,30269.1555918765,22215.8301938667,24862.9014696166,6483.36993173264,39441.9553582783,9917.09276243049,7450.43368000473,37366.086550469,22558.9104676749,50785.459335593,38410.2820265023,54395.7149755936,36869.7805185876,22287.4824664795,40877.162461443,38954.689498055,61131.1153104631,16647.6258421891,29953.8095867978,31923.2996699258,45195.3733971404,24821.9610954049,33043.0991735366,41631.5493007962,22071.8575216335,25064.5064107136,20470.7611202093,29376.0575286438,52985.2659508916,26212.5225471189,35024.5654914744,28294.580616439,26433.1153660874,26844.5426641159,28799.8115024183,34373.4527900459,51866.818007995,30064.713436747,38287.4253590481,30798.8290930184]
["8.48_607.2067m/z",607.206733208327,8.48346666666667,"pos","Indacaterol-8-O-glucuronide","HMDB0061152",{"$nulls":3},"131770053",null,"QTEUXTDFPHJNHA-PQBKFTBYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","*",52.5,77.4,"M+K","C30H36N2O9",2.62984424766583,1.50499754695101,0.000589995475374793,0.00475445818911536,8.77124221785604,436.925112579357,13196.4944946982,30.2031037236418,2.78597719902934E-10,177.881686096007,2.78597719902934E-10,2.78597719902934E-10,22295.0464073746,2.78597719902934E-10,50935.8018670207,10.9918409327466,24401.5360073047,2.78597719902934E-10,28612.0437028823,69251.9106883736,34519.0556430949,27825.1298076881,44316.4662782052,14500.1792988236,2040.07062279572,57.8081339466051,2.78597719902934E-10,20686.6311567296,73251.671771566,2.78597719902934E-10,2.78597719902934E-10,22494.0080428774,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,56.8302691666592,2.78597719902934E-10,2.78597719902934E-10,51.2551001579168,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,1.73236815456249,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,887.850030755159,2.78597719902934E-10,2.78597719902934E-10,25.1840387489749,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,8.3000740568513,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,73.6359111568319,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10]
["11.34_388.2455n",411.23476475609,11.33955,"pos","5,6-Dihydroxyprostaglandin F1a","HMDB0012109",null,null,"C06475","6439819","11000-26-3","SAAOVBGAFHJPIF-NYNACFBQSA-N","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","*",38.9,1.08,"M+Na, M+K, M+H","C20H36O7",-1.44087820787268,1.49820820961222,1.93908507880688e-06,6.45909239750571E-5,0.990459075600246,1.9868171093249,23883.9750485158,12021.2247702212,32297.5862703242,27585.8646687159,11980.7586635736,15705.82997748,15941.5199157631,23274.8608601664,22367.4706164555,26756.5983366815,5927.21347455772,20489.4473159894,17377.4004484249,9737.32688466648,30293.810294066,20715.5413649369,36023.5039413676,30361.6511118033,17373.5318247951,18640.0537824666,18655.3650916808,31191.9009156519,13131.4062818711,28078.626854624,12683.5330207019,48055.3846900099,31155.6374855116,32687.7109905159,30286.3177498964,32549.514993692,23933.3563661896,22557.5283607645,11978.9335880336,32461.4979775716,35914.4924820728,8319.45488544301,13900.7246723369,4430.30952955505,12787.8009757507,7092.72159716968,9829.62148294766,8885.33991301756,4319.67654379336,8220.98282160012,6534.79500743373,6012.95226534331,13169.8593976535,16250.325417613,3196.13671731765,9350.08010583529,12541.4683524262,11290.8245147714,15224.0749609972,7050.04315231478,11701.2957736588,14125.3228850184,11520.4715341766,10235.8647440034,7021.6779395202,5956.04320369788,10222.4961644649,27923.2000968711,7309.42081411821,17339.7723672874,9503.85697454958,11553.3745025696,19431.4651561231,54448.9629479203]
["5.07_601.2649m/z",601.264891578617,5.07271666666667,"pos","APC","HMDB0060661","71230",null,"C00546","10077584","181467-56-1","BSVVZICJFYZDJJ-XIFFEERXSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","**",59.6,26.8,"M+H-H2O","C33H38N4O8",-1.26864806091995,1.49299017276998,0.0175843663230493,0.0621140235652992,0.609382374839128,1.52560594939177,41706.7309580025,27337.8135255897,25946.0373832331,30935.3260706732,25780.556894949,12424.9906343203,23959.3720546683,49983.270410059,14737.0089296464,9500.01265016857,22093.892074013,7902.39121450817,40592.5363029997,41177.9497515719,34464.5472616889,124771.377363757,91722.877047921,131761.829404305,27643.4549728809,29965.9790677485,20793.8920192414,36450.0882291746,48843.391597617,29143.5904675713,44372.1493905127,36418.8059710051,29238.3951951982,48192.511556715,77526.10783628,51963.2653224474,9151.39719726344,59699.6305545792,23745.611255133,67179.4889925944,48240.3865396383,18728.1946010643,19080.3959296818,24106.2980856156,17132.5260087178,22086.0784046996,24083.7428428537,49324.1493164317,19826.9877414784,34751.5870278232,13445.3779828114,26455.6317277242,30475.0682466443,11289.3723142871,34242.1335034415,19401.5483092874,13768.8584606276,21024.9376668611,33273.8346856246,29398.3539129021,36676.872741454,15749.2265929568,14735.3453445119,27435.6413105673,25736.5636055066,37871.2856245485,18325.9403194941,56906.6486965372,15598.8133669637,39603.5412816009,74903.8538268374,71913.3143716227,2562.43762916987,2233.28486411094]
["2.11_99.0685n",122.057765939389,2.10965,"pos","2-Piperidinone","HMDB0011749","340777",null,null,"12665","675-20-7","XUWHAWMETYGRKB-UHFFFAOYSA-N","Organoheterocyclic compounds","Piperidines","Piperidinones","*",46.3,39.9,"M+H, M+Na","C5H9NO",1.32581510116946,1.49019017615049,1.26854167857361E-5,0.000265755492536396,-2.01902655067155,0.246724595827874,3772.81490564226,15291.6043614652,1734.62199042022,1572.54417612094,1515.02630506374,1296.75711192094,2110.313073548,4283.47191499749,3234.47407077774,1922.48617119642,2059.73430275244,2631.41106798269,3698.00923229808,2317.58587700932,3879.79584084659,7104.64335371704,1788.59389415209,2321.56425872531,2866.65945587352,1749.6934355694,2185.3409574744,17011.6187369589,1616.32055402018,1237.40905302344,2872.85479377484,2661.63439120729,2754.77947647001,6862.43189283397,4287.28446902216,6011.31517261087,14469.6079788685,3008.79092678152,1663.45686996942,1794.39536198621,7978.26571822104,6132.63563994116,24880.5892981732,8896.87687992934,4861.80100907537,17131.75464014,62460.6851471905,8862.18554388133,5274.26078638794,16262.6204310168,14579.8560661449,5528.02788121673,6565.19601525245,9642.9826352693,2798.51943806878,18172.7468420671,24566.7440208908,41136.7880347325,25790.4699362606,11580.0750503688,10158.4348237905,3803.56616384181,5773.95778281691,7592.76710890312,16532.5081437707,29522.7278787314,6017.16997284139,40357.1723190039,5860.13490707742,12760.2015736105,7068.62269528876,10059.9503853849,32612.9931964766,1377.92168080763]
["3.83_218.9964m/z",218.996408143322,3.8311,"neg","Phenol sulphate","HMDB0060015",null,null,"C02180","74426","937-34-8","CTYRPMDGLDAWRQ-UHFFFAOYSA-N","Organic acids and derivatives","Organic sulfuric acids and derivatives","Arylsulfates","***",64.7,47.4,"M+FA-H","C6H6O4S",-2.72644217141344,1.48951618202803,3.31089697126991e-05,0.000517774545131458,-3.40187836230925,0.0946090259783408,1286.7194852727,13600.3882501366,23382.6974423535,49.9355703387456,499.949526550265,950.666091761343,64.287173204726,1124.51177270866,53.6333452298351,159.729496129338,38.5575418130299,156.144726614502,200.025882060544,34.0060943189365,162.285042424435,17.8205741758657,145.733644968988,54.2969295370404,53.0664519737761,241.704765105322,68.8154522295999,2775.97897993233,48.5008728623056,32.4952345285092,60.7392665627004,109.061125963937,46.3083639833457,448.026193750691,91.9276203018618,9568.27948982555,329.76352105042,992.499448670986,26.3432733692785,239.650244787544,234.301854911044,711.293966075859,53305.1139533397,30075.3750770333,3823.40236265008,14076.7515550691,37208.6469992813,19486.8286133911,23151.8322740565,58407.8056273424,7413.41028520642,121.03300727655,18893.4893642407,25680.0279228003,10344.0063611791,7980.64558840818,6091.7444540572,3769.95206060721,18232.5325506945,4677.64783512872,28224.2918625016,1069.80740348979,748.809774874886,4218.82120332755,202.718798474795,701.394362192088,3161.2553601665,326.016597497877,1998.71344218329,25.1359133783196,26416.4091454495,12967.4254776396,22669.1258688088,2631.34718668554]
["3.93_282.1674n",305.156669956609,3.92658333333333,"pos","Hexaethylene glycol","HMDB0061822","332442",null,null,"17472","2615-15-8","IIRDTKBZINWQAW-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Ethers","*",46.6,35.8,"M+H, M+NH4, M+Na","C12H26O7",-1.43139669166557,1.45197092294311,0.0496992428764773,0.128881866339326,0.481196680079919,1.39590105188869,47498.1755893414,34026.892898372,30111.8755733166,35530.5763105046,38158.6501783925,44173.3190453218,45572.552676456,26693.4439090287,34189.4124884045,29713.8237647542,24887.7315016811,55028.6299515124,33591.5588001331,86978.2766765776,38725.494059043,38211.2659452261,27934.6618421997,49437.180594127,37094.7569976015,32983.1413943554,58297.3506675435,29316.3091474022,56079.9350060153,42555.055538515,29667.171678408,35233.5044985356,42039.5469838194,99513.0854467856,45810.0440441101,34672.6478892468,34005.2758314248,44178.9394790917,238152.109812252,32281.0267907036,36621.4399257764,26823.8900189943,28752.9727169769,33481.6167435001,30275.0828637058,26638.7840534897,30766.5378024073,39407.7912398578,45875.97619205,44244.7891034817,41205.0153318849,40393.9418305128,44229.2432560002,30798.6366447291,26471.2777405464,28482.1035331302,28335.2703223211,36006.6982518224,27636.1715181391,39123.6326609422,27659.6443563445,25916.0602844902,25472.99189736,33323.2888484345,29738.2504885508,29890.4305798403,26656.4047523364,33418.4988771366,28538.0919312288,36559.711548304,31587.0366147298,42076.0682381413,68808.8557632142,34292.6996416716]
["9.63_333.2032m/z",333.203163892657,9.62601666666667,"pos","6-Methylgingediol","HMDB0303099",{"$nulls":3},"5319663",null,"HDNGHNOEMOMCKM-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Methoxybenzenes","**",60,11.1,"M+Na","C18H30O4",-1.50292078377883,1.45088717387404,1.06147147713746E-3,0.00742803638789467,0.119431771561211,1.08630691895935,170094.529945598,156580.545494955,165084.417136766,162455.461118476,173405.491139161,177145.586423929,163514.910799635,157361.911241886,222431.178093852,164103.587391086,141386.318501818,173016.563179816,189006.73286126,188176.464285929,178129.193071201,192997.208084169,175445.925308562,160482.870706181,182974.375238377,159826.9239881,192743.758648512,182205.077374245,173036.133973349,161223.666522705,157487.7296713,174614.373654552,161770.188524285,150987.094209133,163885.519518423,143000.359779898,161145.928511923,188859.480264901,175871.513163064,147805.975826492,151537.569991759,152146.606934649,134770.120050892,171947.803813095,142447.357769931,157837.607066474,142724.747979985,170592.517893447,140113.366118085,146361.282918846,147322.306925445,165106.232065043,175351.413753134,185386.748738969,139763.458599694,144396.79751788,176716.369052528,168194.262014554,153102.948465461,135932.288632939,151859.544644302,150401.101380339,156574.747109023,175364.991162728,143403.517773425,139782.338111193,166895.576922243,158107.215788586,151258.24112352,156090.407357823,147222.389731401,148536.409920816,189222.748005962,182224.535991107]
["0.62_308.1578n",309.165110860664,0.619883333333333,"pos","1-Deoxy-1-(N6-lysino)-D-fructose","HMDB0062186",{"$nulls":4},"78525-25-4","ZAWLGBRDVQURAK-TYCYOEEFSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","***",63,31.4,"M+H-H2O, M+H","C12H24N2O7",-1.67669489981138,1.44930123044027,2.43347786358683e-07,1.26654918181371e-05,1.06667775472287,2.09460434398552,16537.1832103396,7895.13459084754,34558.8836728312,23218.2037344481,21491.2434390134,19095.1393135139,23372.6877576104,16232.0925451312,7784.70396745715,11389.3157165574,14178.7432286042,17069.7175042045,6904.16489851439,28585.5885511577,7482.090500428,25677.4895791981,10479.3805067232,9749.42884169292,7953.44547695215,20105.8721406804,6320.47308713178,11888.0539329287,11432.5575002217,5910.12673543636,22787.7223543002,20106.8748109998,24835.7122187113,15167.6163473644,9823.99185812653,12856.5517747103,27489.41741074,7872.90656818596,33829.2593442376,16541.9957848335,13535.5948385604,7240.07890625226,7281.87995889647,8167.04950955318,6616.57043695771,8501.5261484406,7912.62369539737,14223.2157210163,12992.2914649122,6119.69192344223,8275.44555106332,10633.4739921389,6373.26351114651,3680.10603848943,14759.9844931934,15392.7520476488,4806.68018021004,5027.41195421577,4288.50388647492,4698.885646934,7778.54124702753,6856.02871595819,6440.13784394901,8100.78066543084,11771.020162633,7192.93170055698,8053.47743713771,5200.81885141265,5543.31050977702,7420.94681072986,5720.24718001431,8569.22437139714,6059.63960775225,8840.90132780898]
["6.18_405.1919m/z",405.191905860892,6.17891666666667,"neg","19-Oic-deoxycorticosterone","HMDB0012613",{"$nulls":3},"53481498","81309-33-3","RUPOMAOZPOVHQZ-TTYNRZOGSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Hydroxysteroids","***",66.1,64.7,"M+FA-H","C21H28O5",0.0804987251733772,1.42802037452611,9.29717723942105e-15,5.16148289741859e-12,-1.74492220829499,0.298350022685921,2710.8001545544,9085.97267783054,5230.02703743923,4977.65899889896,174.435064607673,341.725303853974,2.78597719902934E-10,7662.62688908677,3630.38641702545,5196.15843499808,255.931144559797,462.702701645637,10132.1782343853,45.338740156067,2204.79481959255,249.793061539506,1941.37007739303,5325.3019827578,3879.52228942534,7656.16090436072,749.20007557294,308.981393622391,152.346389161129,5701.9163491284,460.025857181882,93.3583424580004,5079.54211382131,505.94485970885,708.416888208339,1463.26300870761,1893.28110280077,638.889041250705,737.667474512397,1622.62221653511,9974.83788589934,9855.32745495335,9258.10856182245,8185.57140737281,9446.21173467083,9452.94703772318,9979.80888035283,8413.15485562933,10952.3677137134,8175.56293938324,10250.353201826,9012.79554299358,6794.04140345628,11850.1899158369,8914.4371812123,7265.28196115849,8751.32292325238,9522.64742084085,11028.4273318419,11115.2412066337,9470.85349703725,8459.97336169143,9111.56031214615,9303.03029006501,9244.58585797944,5796.05166156609,10784.3387131691,11559.1470100282,9674.02066739681,12363.9306707142,9387.76845259233,9459.97083445561,1487.69131852543,5510.37704636709]
["4.20_179.0574n",178.050125564721,4.19575,"neg","Hippuric acid","HMDB0000714","1301",null,"C01586","464","495-69-2","QIAFMBKCNZACKA-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","***",59.1,80.9,"M-H, 2M-H","C9H9NO3",-4.69766359027904,1.41011761226729,0.0312246387240529,0.0936428215992881,-1.51156742509038,0.350729959093536,12734.6611027345,36309.0200097171,1694.55855049659,9034.99063008559,2386.36209827623,4573.30945302799,3727.50500102225,87777.3673030296,554.115092004675,1637.92790228966,5395.47406368614,102454.207324503,2742.08992512728,722.509234621202,96125.3918940059,15401.6859849369,6932.77918173478,1397.97704510494,8484.63435403339,3436.44915345631,5365.50770160687,4394.76855576693,635.677171097563,917.665409721235,3848.42188681264,2019.98618131194,1093.10913389431,1091.05901905765,1531.37031735615,1945.04722547616,7743.50424673773,1036.46040381805,1272.68325509329,27444.9080802569,5424.31361078798,2319.39473805052,45835.5438099237,28442.3949726617,58702.4099127364,35866.6259415332,44575.0239345222,19877.8976935861,63548.946992634,59020.169812003,13229.3670611389,1723.58633643129,7398.04751529131,60773.7793548276,1470.28706189183,301248.530323125,9260.27822040187,15629.1937923025,13761.9747574346,26807.8329004936,93685.2673990639,19364.2129498122,22808.6475905379,17154.9076057978,123261.843895036,5113.44523167477,16579.1051054471,1807.672280652,3724.77325212721,14787.8514897918,32885.4923614853,3622.90398182326,23298.191999683,10612.0600467443]
["5.95_360.1025m/z",360.102512671942,5.94841666666667,"neg","Omeprazole sulfone","HMDB0014012","1634",null,null,"145900","88546-55-8","IXEQEYRTSRFZEO-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzimidazoles","Sulfinylbenzimidazoles","*",50.1,55.9,"M-H","C17H19N3O4S",0.448622689656414,1.39447387546306,0.0274404877228272,0.0854245463595677,4.65756221034606,25.2386390128781,16714.5955172092,662.262157190033,2.78597719902934E-10,2.78597719902934E-10,9715.23936862266,97531.5525261435,2363.78629600599,2.78597719902934E-10,50449.6338161278,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,507.62525070434,2.78597719902934E-10,156.653204639412,2.78597719902934E-10,2.78597719902934E-10,16586.6239548417,2.78597719902934E-10,50971.219022924,2.78597719902934E-10,1569.51065992628,12335.7727110698,66572.5800409761,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,205087.891624225,22654.7794962536,2.78597719902934E-10,15078.7840954369,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,317.516314447269,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,12686.4340198299,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,8850.70085298556,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10]
["9.42_437.2910m/z",437.291039224396,9.42388333333333,"neg","3a,7a-Dihydroxycholanoic acid","HMDB0000384","5373",null,null,"21252245","30634-99-2","RUDATBOHQWOJDD-BYRKYSOESA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","***",70.5,58.5,"M+FA-H","C24H40O4",0.450157174998545,1.38381124584321,0.000129667693923303,0.00149454355868,-2.80144615490027,0.143443434844699,1949.3927143286,13589.9751455278,1803.85061810588,10400.8712529223,39.1922661601642,294.819154723433,1432.92978429968,4191.53856508995,2.78597719902934E-10,307.913767957979,2.78597719902934E-10,209.606825808342,1838.60331357307,2.78597719902934E-10,1789.65295251761,1199.11897024278,2.78597719902934E-10,1708.622316736,2.78597719902934E-10,9541.56153106854,189.153688708957,19051.0028166061,2.78597719902934E-10,2.78597719902934E-10,1482.50140729875,1352.10004639704,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,501.060788565831,6115.04605118551,2.78597719902934E-10,2.78597719902934E-10,639.519337757749,241.294117114688,324.96372166163,8889.56681110045,41101.7954958298,24202.986435345,38718.9558095176,1477.92003825688,2451.70318495503,6685.22201498334,40002.1863045907,11816.7578006366,2317.48018026154,2444.03255385018,337.736286846009,1078.21465354382,10013.9720512869,5701.29525135867,15890.9892745705,19797.770388742,1068.36271427328,5985.32298228765,5595.1505550877,3615.4281976824,39406.1682424529,5939.44026940773,33370.3155948562,2334.66132494971,7883.33424279238,362.472254289252,1125.54238399028,4251.52088425927,8930.11013374646,59299.2423085573,36048.5594564484]
["13.11_476.3138n",499.302974573228,13.1120333333333,"pos","Polyporusterone B","HMDB0038496",{"$nulls":3},"72746742",null,"OQDKHYZVFZGSRC-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","*",38,1.51,"M+NH4, M+Na","C28H44O6",-0.073974789993766,1.37321016868182,1.41146362205667E-4,1.61013196064067E-3,1.37715479707649,2.59755590087153,19194.078200648,7389.28397814578,44178.1033584775,13456.0350930388,20866.3565352836,15953.1668315973,33015.3786972507,26903.4104028532,1574.57010629987,2761.02883537429,718.638561826323,7168.06583618749,7538.55241137477,1062.6821944329,24668.4375544304,16583.5377412519,19362.1491436552,23937.4139834729,25534.9852218001,7712.24644561237,30007.5995858997,4500.60131221981,272.246108593491,41632.4884364713,7722.66902581966,27418.5481021612,17702.0406802257,25748.1169509099,25651.0190969108,26497.536490341,24535.6247553093,9522.87528912666,33831.4536832818,23173.621365542,42193.3807843537,785.89750058607,10484.5833843364,1663.03810584989,4784.99228152038,3198.29407898135,1952.91937169164,6533.2081083127,328.050390268352,6635.70549827387,2887.88611715936,1300.29243313993,6590.47616077551,8690.22366343794,2792.24106943878,2902.81074289671,3359.04522236767,5983.91838420526,5756.53837158083,4003.51638199426,2714.06120368123,7026.12568430455,5280.94242319531,3274.37024225907,5885.30550618601,2193.9491706866,6690.98441321823,16433.9794087839,3737.5873777238,8105.70871688773,8764.56793097232,5681.99086798236,24479.3379846865,62943.8230814263]
["9.45_665.2694n",688.258657216222,9.45271666666667,"pos","Syrosingopine","HMDB0258655",{"$nulls":5},"ZCDNRPPFBQDQHR-UHFFFAOYSA-N","Alkaloids and derivatives","Yohimbine alkaloids","Unclassified","*",38.2,0.0202,"M+Na, M+K, M+H","C35H41N2O11",-2.40293553063952,1.37267139921104,0.000775100431659638,0.00582812536762586,12.3826383690105,5340.05308744031,13816.5611848234,2.58734528638295,1549.47203154161,7.61720504481181,850.282501968579,125.253606177068,33326.9467099944,92.6349554600716,18099.9159823766,2.78597719902934E-10,36353.1139548276,2.78597719902934E-10,44517.9188833055,496.737870816037,49702.0861255013,9664.71584567718,85863.7723336559,58612.3399965145,3328.40371833106,316.110895499674,2.78597719902934E-10,22403.5655880647,48561.5441995661,850.069647586367,2.78597719902934E-10,38386.0063506305,2.78597719902934E-10,362.183253521772,57.6571365614375,2.78597719902934E-10,2418.17030654651,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,21.6926796994712,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,63.6897147425295]
["12.36_465.3585m/z",465.358529094552,12.3622333333333,"neg","5beta-Cholestane-3alpha,7alpha,27-triol","HMDB0060138",{"$nulls":3},"131769843",null,"UROPIWALBBMYRP-GWEYAUKASA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Cholestane steroids","**",56.9,0,"M+FA-H","C27H48O3",-0.0456120290441067,1.36423063328139,0.000630163187012142,0.00497410799985177,-0.646513649302886,0.638822198323784,21214.2894574274,33208.4412737878,13723.6838469001,33594.6776609624,27981.6033626619,25018.2741266184,20751.9036499761,84338.700168184,6878.68609621906,17087.2613594715,20531.6514213354,1201.03455332507,21099.8454022945,22934.9161965269,17322.0740326111,22744.7478562001,16166.5642299416,20738.6414582052,9824.49433480091,42976.7572256874,18710.8969104198,23035.103866346,23586.3526321044,13601.5894972466,18471.5232223764,24618.3127344778,7905.0916873797,21259.2764344374,25385.7153680776,16590.3449745976,15588.704591321,5896.01069999919,14764.3733746062,11944.1619236395,33798.5771961521,46582.8826505541,40169.4568798073,37252.5345451891,9972.80754635243,46891.0994506528,40366.0079810583,17137.3259003126,19479.289658922,36468.4651515306,30330.2866380941,30362.934192857,25913.616897023,30525.697837883,32989.6534367426,14967.9567946558,46450.9057683272,21930.034896999,25012.6960230282,25983.7652845049,32013.6803180488,34833.1985134584,54883.4664878177,21358.6655575669,28337.9711745783,34706.9960994004,16590.3359753042,38401.6559267466,21353.4322416355,46320.345437725,24437.4921069354,64159.6536064851,39653.2250775189,60041.0259772805]
["9.06_425.0809m/z",425.080886006568,9.0603,"neg","Fevipiprant","HMDB0252238",{"$nulls":3},"23582412",null,"GFPPXZDRVCSVNR-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Trifluoromethylbenzenes","*",43.9,37.8,"M-H","C19H17F3N2O4S",4.81063680915369,1.36303809265261,1.17484252221973E-5,2.50859002661149E-4,-1.18470116434555,0.439915651372866,7632.91261151894,17350.8548461473,11098.9922987425,883.321002261335,22641.2858201808,12469.8978876621,6461.16586697022,6478.82976115678,2547.96897060027,4786.81983187666,6386.21022625183,6059.2630948169,9102.74219257761,7578.9908397875,18468.5996397762,2600.19331632557,11626.7426836929,3444.84215921945,3210.39900265286,5982.87871760011,4629.09867861242,6129.97933382346,4168.97395660138,10241.6228522565,6052.8711469042,4467.01436769173,3710.425825787,7925.43992985709,3927.62711515166,7269.94891444524,29623.6709389825,7075.74586193684,8778.00282235528,1965.43659736129,4091.1145262068,9364.05700414833,59988.633496564,12606.0159589208,20245.6164503849,8382.36470346595,11955.5192603177,37480.8009226114,9624.09460307103,25906.5325494403,14479.4791905189,12951.942382834,11221.1445211301,15405.9411768005,16263.5322369495,20764.8337837985,21219.533898986,16096.2428662268,8299.38006104171,13945.5659708041,11270.6651141648,8412.82378682822,8562.8640684276,18411.1935457258,24204.5943345406,16098.297139411,28476.6404849583,10665.7659507451,10066.4277041832,22445.0583607607,18087.4179103435,13050.7633621573,18092.0763255713,18532.3907970291]
["0.63_254.9167m/z",254.916677103289,0.633666666666667,"neg","4,5-Dinitro-7,8-dithiabicyclo[4.2.0]octa-1(6),2,4-triene-2-carboxylic acid","HMDB0257945",{"$nulls":3},"18521482",null,"RJRIXRJFUIMVPU-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Benzoic acids and derivatives","*",37.1,0,"M-H2O-H","C7H2N2O6S2",-3.32037304510981,1.35736615000914,0.0191375782401687,0.0659909659606644,0.55451017591266,1.46866990554084,52920.9971434523,36033.2821853282,42919.5272181238,48542.8464381273,144404.700553601,221819.296639286,42116.5002365948,35400.6216281207,47096.1770919835,35701.1659313844,31397.7646710532,40447.2749382849,39585.7389653818,72806.5574691981,36065.0937127865,28616.2414413085,56699.4785591748,39158.4604532642,37823.8620705105,39492.0591849052,41367.5829736614,31349.8709168684,36791.6327422503,28872.415475764,45100.2510959361,33378.1320907844,33381.4742298327,46248.576693954,29907.5246122649,61702.6313712099,120855.64279407,45158.0325422794,48490.3504108396,33051.9904538188,70643.4301273017,37712.4533513569,29437.6993104712,41189.4465291335,30565.82295508,27525.3749984039,40717.1439046354,36568.1978205203,32882.1222645575,39180.2378527148,29920.2777013199,42208.9354736976,58863.5000205828,24809.7219670392,28214.3908251853,51298.3651659186,30033.8844140678,31774.2950223992,35501.8288341524,32124.4762188601,24442.4450765809,26867.3530723435,32185.8956447979,30086.3428361209,38320.7328850655,41570.7221545934,31169.1571335376,27845.356606348,34905.3091308338,33691.5335148847,38426.4408007477,40857.8520489977,32051.2879530575,76149.708627824]
["9.75_299.2821n",300.289337439493,9.7535,"pos","Sphingosine","HMDB0000252",null,"LMSP01010001","C00319","5280335",null,"WWUZIQQURGPMPG-KRWOKUGFSA-N","Organic nitrogen compounds","Organonitrogen compounds","Amines","***",61.2,90.7,"M+H-H2O, M+H","C18H37NO2",-1.23102120508047,1.35123221871904,6.77068451618558e-06,0.000165831986201575,0.778240264780553,1.71503766989643,19530.5405523478,11387.820159966,38567.4411759505,23190.1342821518,31685.0138358122,29488.9134113686,23215.7969574788,25083.3285837127,15386.1485883926,10825.4809200273,12734.4326214046,24359.5614984204,8282.7988917445,6713.80321123788,10038.8942604786,23693.496185402,28072.2140842898,14341.0610274107,18891.8079417955,11445.8004859826,12625.7500552581,5665.38993794124,14744.2383994164,13251.5207679126,19984.7320332682,13640.9877924756,23585.5439562381,42456.3395808427,34547.9235578755,15740.9860808507,11830.5674048962,23638.406801365,21773.6770765191,14767.8894196885,20237.7573998681,8307.25769584687,10720.4993858788,11021.1011188175,14375.9534218268,16348.407856475,9858.58958249747,7969.45709778299,13139.4341528214,11961.8444809215,15041.8196176598,14348.1804275289,15031.9052270451,16424.9825895906,13737.1754737113,19082.9456759964,9095.95001551311,8432.37218877209,7291.75903521863,11650.2744753899,9410.80844418788,12001.1499700884,10561.2008842312,9043.83759581079,10228.7881001634,7831.95835620911,6359.92522367869,11342.0757290987,11966.5929927567,13041.878859198,9046.05127088124,10289.5822105224,13303.1880622814,7531.11806047737]
["7.47_432.3104m/z",432.310353434314,7.46718333333333,"pos","Glycoursodeoxycholic acid","HMDB0000708","5676","LMST05030016",null,"12310288","64480-66-6","GHCZAUBVMUEKKP-XROMFQGDSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","***",58.4,81.3,"M+H-H2O","C26H43NO5",-1.07229501696872,1.34728545052366,0.0190221353351558,0.0657289759350662,1.04194178841528,2.05899708631525,46819.1445777053,22738.8105057945,51774.1903848649,177202.576116608,36286.4929319493,8673.99473654382,63912.1232666233,98701.57046109,2408.11770172586,32502.9778376265,13115.7633057453,26447.1480287903,68387.7522701417,3014.98438780158,38636.8097446094,18490.8618468485,32884.2863414906,23145.8007217273,9226.7628348395,36000.2136023041,15939.2721806574,20712.4380952715,248720.751284802,17965.8234456154,103171.799322559,32061.584648523,62032.4823529933,58318.7665167371,23761.718375865,20422.3082723858,23373.6982062916,3029.24958399834,10563.929973307,136378.185009083,27767.3372748547,31588.9970564587,9565.44770239533,29498.5416077214,14303.3421806152,21986.0373043112,47666.974213811,20858.5502117825,13973.8935305162,11275.0969900592,21178.8838442489,3922.11168662652,20226.2584005862,3657.38657014416,4404.57884576675,49372.4480778509,3306.63141902942,24098.2820155962,9536.38475610129,11976.0844772912,2710.78682562224,12811.7307815918,11152.0700899651,31043.4654662663,6501.37114321318,100433.998406121,14840.4153128843,19344.8891042332,8064.4091723752,5410.07336130054,38600.468169709,55939.1598316216,66923.1503127376,24208.8278226637]
["11.92_378.2762n",379.283474588987,11.9221333333333,"pos","MG(0:0/20:4(8Z,11Z,14Z,17Z)/0:0)","HMDB0011549","62332",null,null,"44422842",null,"JCKNHZDBFKYTQU-LTKCOYKYSA-N","Lipids and lipid-like molecules","Endocannabinoids","Unclassified","***",66.6,61.3,"M+H-H2O, M+H","C23H38O4",-2.14535880463182,1.34707264204491,8.37770324746736e-05,1.06920036464804E-3,2.91774778268429,7.55665512992242,10530.4308961525,1393.53069778912,6268.05701124658,8169.00683211704,13244.5381415078,16498.0199808818,16910.5193836277,7131.58131354946,1228.29452686114,4858.54510082684,519.016042310505,7847.3755576354,7339.42850109502,8254.25017464852,1502.69249586841,19151.5648708967,1793.90902534193,3348.09274096082,44972.661504704,2144.30716116725,1779.33180706245,2577.67599901421,17760.4698682979,11449.9190939928,4538.77737332673,3392.156273989,4777.41761660319,14627.2393775329,7036.73797104641,9774.89316873391,12269.3151955276,8938.23747106931,61577.5578587953,12919.4089224063,2903.2212103889,1051.12524518044,1114.53879713208,2116.71455086627,814.3458739405,2256.67377250838,866.574601860212,1506.80097191642,1312.45422799167,2501.23869397931,1259.98764109404,2361.15940635028,1419.36300756326,805.067160801555,1819.01460781385,308.026870402987,634.7675096317,1213.19745220754,160.754869040395,199.491281712443,172.260507650743,1420.4706993183,1043.65504464898,405.628224294809,825.389391137214,680.920705084012,338.695587180207,866.26401707055,799.5710811858,350.769583271315,278.692889399138,1782.45618352447,5416.84544338787,7883.59712789428]
["4.36_203.0013m/z",203.001322113762,4.3642,"neg","O-methoxycatechol-O-sulphate","HMDB0060013",{"$nulls":3},"22473",null,"AQTYXAPIHMXAAV-UHFFFAOYSA-N","Organic acids and derivatives","Organic sulfuric acids and derivatives","Arylsulfates","***",60.9,74.4,"M-H","C7H8O5S",-3.16558497131506,1.34281616174707,0.0240708467567128,0.0777691469899227,-1.83910818093946,0.279494503972765,5515.15772143369,19732.6160015337,2063.95581946242,23325.8581863595,3757.06975100478,26958.2043045603,169.920941237758,147.776309770033,36.0126995575784,37097.0647742172,50.6514504189461,6913.18632393697,2852.83879932455,112.549958317449,1419.1282142418,4117.15416682967,466.591733211821,38.3350828016818,336.859496017205,11027.2397524025,1003.84909700804,1523.64983014285,26.3204545560589,157.240819157641,2265.14729226042,3204.5485471919,4065.02502298001,797.338403221735,776.752779748642,2480.28669828233,27648.160493365,26.7455327906216,667.519047523498,14267.421124015,2199.80190139598,4480.06472764459,8931.62275305137,15224.6605159604,9811.69186454568,6058.35075776044,12462.6064495921,12003.8932755407,4360.92169438491,21445.4959550356,114897.294585502,26.1250764066683,15166.1346332067,15726.8474671118,4767.95503293926,59856.8281961767,101902.204966448,3685.4133201628,1799.59294038486,15831.4858341821,11808.5607459588,4304.24149965921,1768.14159546671,7059.73382158306,10663.8808529593,139026.654278916,2403.61937954663,3334.35418868565,191.734677478826,2683.03325760578,6872.89406030876,113.288226704138,220.987465705144,32286.013953997]
["3.61_290.0879n",271.070048618544,3.61226666666667,"neg","N-Malonyltryptophan","HMDB0039500","94069",null,null,"5199636","29399-11-9","OVEAWSPZRGBTSS-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",37.2,0,"M-H2O-H, M-H","C14H14N2O5",-8.21060914403906,1.33058131182204,4.30921497673227e-05,0.000626812012554375,-0.34786679065192,0.78574506405473,51869.1944300339,66012.7524853545,48029.0827170804,46158.4878102308,38506.489060304,45284.1306635599,51772.7884218793,69214.5857601475,33809.7582162029,31434.4900776766,54532.8900237162,51041.1669928755,46352.4728515713,36276.1754880332,34904.7507466168,75767.8702650583,50285.1674035446,39131.2158629073,69157.8684939364,43452.18218067,60452.9875356203,57652.1611426281,38370.2537977731,70434.6397874841,81992.6722773906,56630.1070319313,61995.0096881728,55347.5703784537,49223.426708937,76464.4785857145,35141.4376083194,57450.2179834119,70970.3103861552,37032.7982685684,37413.7719745464,85290.4814018993,74104.9208289268,64428.4284138875,91684.4012039294,53592.2035965141,53412.6001181166,58937.2721363496,76229.840597246,67521.0746749348,78153.8116651373,47651.3549356503,53891.3453159939,62957.9802729371,67130.0988115195,51399.2262019005,47756.384046961,52642.8577731527,59977.2701422777,64042.3551005824,72376.0865114695,80447.9647288472,56369.1851712471,73125.1087528026,72922.4823112601,58327.1708528685,84875.1058016527,84500.9031312052,75125.0102260719,56399.5529455792,69125.5789712007,55141.2915195794,71024.0378184965,57857.4460365004]
["4.27_154.0256n",153.018302829349,4.26515,"neg","Patulin","HMDB0034299","71308",null,"C16748","4696","149-29-1","ZRWPUFFVAOMMNM-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrans","Unclassified","***",61.7,63.3,"M-H, 2M-H","C7H6O4",-6.68332127842627,1.3194363242047,3.89749685702339e-10,4.99329308874805e-08,-1.59928371915005,0.330040798335288,3379.57504872143,10239.870542575,13129.3836585794,4190.40628687805,6198.80342866764,5216.24396402861,2079.93611501489,2742.84375481777,1089.96694981459,2336.76738874557,1268.41215006188,3951.75815428848,8923.80823679429,3011.7920547027,2294.60663850595,945.250431722625,4114.31054124332,1968.46534728763,2025.15744380104,4427.53875386932,2889.77814321054,2287.67825926452,3561.47222162501,3844.80717810559,2509.60869933879,1624.40151052999,1232.59577093809,1992.30398004602,3256.8297093977,1801.47805055912,6997.9246232038,1436.75329089225,3763.38094934227,2074.0648784162,2337.44804411367,11930.616122267,27865.0241144275,11560.1414802772,15966.0275740894,9379.20162555877,9835.08568362987,7056.12635302262,8414.85189960694,15381.6009371691,8161.36861092688,5407.69419283623,12479.0902745385,15307.1006369693,7367.473162775,12011.5819048967,6346.001539302,12587.4005024946,4332.15792046905,6478.8961323245,13475.3919225681,2955.01778661958,13483.0450772651,7246.50918664288,8031.41183391624,6270.47450625657,9909.45843177634,3356.89569948224,12705.2802064828,8404.84998851628,14386.1974129206,11957.0204023709,9442.49183823236,8424.24294434219]
["1.54_144.0654m/z",144.065376108516,1.54348333333333,"pos","Acetylhomoserine","HMDB0029423","3282",null,"C01077","528","7540-67-2","FCXZBWSIAGGPCB-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",48.4,46.3,"M+H-H2O","C6H11NO4",-0.890782616636271,1.31287583141379,2.73435257710892e-05,0.000453140718126856,0.276140365300619,1.21095089624855,49112.5516926665,40557.0133725605,45705.3154669447,44571.3981815034,48845.934000572,49768.5479228021,54963.8700853352,38758.4506836543,64593.7904357118,64438.233130024,41119.7900118105,46944.2911453887,42736.3950093942,70405.1473724679,54011.6041973811,69864.157570261,45567.1063356356,44590.1255207701,47701.5026380107,50421.8664633397,39789.4916804691,64396.3555530016,45632.672315936,38365.3036706447,41956.2075899821,43520.8332022911,49904.7255928822,43596.4460452756,43737.5972622684,36465.2453994591,57891.261512319,57862.1727882196,47703.006782855,40781.8367810616,44103.5235103231,41595.8910119908,35951.5261756116,38848.9014357449,43593.9719259944,40540.0752849827,35838.3423958484,45294.1674257095,41397.1739002582,36230.1232519618,42270.3760888281,42375.2144857582,38323.4016331664,55151.6303624951,39043.3967654368,49731.1100096023,55717.5691437906,37502.1523627188,39047.936571764,32464.5864110977,34857.3268576293,31690.5092640778,37411.7928230177,50813.5954847118,36804.4117090881,40756.939302623,41407.9665249114,47553.6053657128,36573.292221596,41351.8054401506,38089.9444186478,34655.5909281591,38523.9869303594,36973.1273810515]
["1.26_174.1003n",175.107575389003,1.26133333333333,"pos","Glycylvaline","HMDB0028854","23847",null,null,"2724807","1963-21-9","STKYPAFSDFAEPH-LURJTMIESA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",53.7,37.9,"M+H, M+Na, M+K","C7H14N2O3",-0.823434194665924,1.29650088624302,4.65134543506703E-7,2.24545386147946e-05,1.73812029115064,3.33600231781558,14474.6357257256,4338.91656742123,36331.0247147489,16909.3978700778,17879.7009660407,10345.6041273565,10811.6738728903,14354.3743417392,679.354827374378,882.720171373751,16086.5039578053,2779.36906196092,3363.33451206095,1135.70196905611,17651.9505611475,16020.1340789406,26632.760763205,10768.2734937134,6532.95037011497,12362.2487498174,27108.4041824995,931.96858015773,1759.26286437338,34051.943996557,16976.7228431295,8908.49934821316,20573.3310981368,19518.2408966584,18813.8405120971,13871.9153960661,35096.4461399463,18028.0286856694,22356.1878963379,5052.64258288376,13088.4655167964,241.280603214043,2403.49396225368,3501.96426263296,4593.57862726125,11936.0580368262,1649.13786955798,2894.40308394568,3410.10701135648,8451.73678558354,8225.72531603458,1381.86023192281,5628.03229420467,8042.63282499282,4995.42086195852,7152.30338502912,2029.18211491962,1825.26918114605,2246.34931656234,5144.16157274103,1462.39481028261,5178.98519855985,4133.51355289775,2223.6532233299,1954.6626752908,1607.76894743675,10506.0119177342,4409.51007088832,8726.33290984669,1210.02400462432,3341.95665987103,5119.592451177,3587.2182665723,3969.92469424584]
["6.75_639.1085m/z",639.108510937204,6.7455,"neg","Sorafenib beta-D-Glucuronide","HMDB0060872","983846",null,null,"71752221",null,"HALZWBPBJOJUOZ-QMDPOKHVSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","*",37.1,21.1,"M-H","C27H24ClF3N4O9",-4.06699097206759,1.28929378763251,0.000648323960877888,0.00505753422408488,-0.993868943045942,0.50212938386378,9012.19240545929,17947.9486663624,14136.5648988466,14134.058347987,410.110351008053,6338.6311138429,2.78597719902934E-10,6753.2607412622,125.032474339194,9442.08692052377,2461.16309531208,2252.24208147159,28421.4146194067,2242.85516643322,13691.0514205788,2669.91365126041,11633.6841550368,31035.9239766376,5252.4146216138,29499.3211104609,16079.7077764575,9113.32882373793,5496.72961153785,1236.18555244186,2970.40042935578,2774.37918036432,8727.94364577808,15203.7406079399,4100.62029077364,26273.5829242707,6319.01678828698,3368.93727321554,2801.366291046,9320.14181231082,3116.53962661762,26136.3466905049,7056.33485018616,15585.5374180735,27769.5724014756,17506.0882454451,15295.2315173866,36623.8236209549,16340.9156875348,23501.0141369253,15355.5962893091,18576.9098524576,25811.3034493152,20548.5467522279,61841.4813277002,8024.85121120504,13755.8590218519,17284.7101952178,4470.55857122071,23839.8306449581,14606.1122741693,12489.8403026881,9926.28558673371,16488.7761296425,21987.0123780096,10628.2187053205,35807.3929112461,18781.9006450449,8322.06383834785,12060.5500960121,10336.0085513837,8914.26410210661,455.228137727297,16154.1404475753]
["4.33_245.1857m/z",245.185652649802,4.33318333333333,"pos","Leucyl-leucine","HMDB0254039","68997",null,"C11332",null,"2883-36-5","LCPYQJIKPJDLLB-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","**",58.2,10.5,"M+H","C12H24N2O3",-1.29585491110963,1.27771258040343,7.59145727835139e-07,3.12186965360351e-05,-1.19261265557589,0.437509832254452,5768.72889324321,13185.3697173328,6681.64935522783,1270.61839295983,1516.11961385468,5053.73458232358,3738.91638023118,5938.23370275022,8092.02358753578,322.138400510388,3831.82245016385,3919.43406963891,4420.14601980478,2727.92079353514,2598.82376859939,6973.81347389204,16724.2586208353,4018.21968156198,12069.4350281928,9316.57048534135,5140.20467958038,5835.67647590643,8007.63030313694,21597.6141187485,5338.19233313524,1621.9977734517,8125.64282585599,4708.64727108716,5360.03586446674,2276.80407596581,897.799931195647,9299.85648865235,5418.82734133201,4962.61875811107,2562.62682944084,27333.6552548695,21830.2292071915,15394.8520579556,11529.9419687431,15343.6016529189,12791.0771059949,11497.284623129,20679.2985846258,18068.622285976,20270.742044906,12846.6855932539,22770.0094710525,12524.445771885,9268.19626745122,6900.8477342267,11304.6185193595,19759.3114887915,18157.9195041159,13999.7689482379,16739.868691835,13401.4855993179,19888.6567819268,11509.2561704622,6082.74227755673,4712.54534654276,4749.08342090329,15950.5253180685,3958.774493549,14673.2095071526,12428.4411812763,3776.11564427361,3492.85178897821,1482.53636545552]
["3.04_322.1233m/z",322.123300543922,3.03756666666667,"pos","Saxitoxin","HMDB0029368","69686",null,"C13757","37165","35523-89-8","RPQXVSUAYFXFJA-HGRQIUPRSA-N","Phenylpropanoids and polyketides","Saxitoxins, gonyautoxins, and derivatives","Unclassified","*",47.3,40.2,"M+Na","C10H17N7O4",-0.408489256951847,1.27537255422956,0.000567365861122539,0.00468906577871793,0.940222620425749,1.91882430713056,21191.5852325004,11044.0466872085,11209.4957275729,22549.8233323952,32600.4745730913,3121.37697256,34301.6522955437,19668.6013543253,58578.4240197632,16822.8042498549,19058.7598145567,31088.1293999294,7839.98402688588,28900.2776933093,12177.4296469754,41643.096204116,19017.0019504865,5646.21562774349,13387.5668485507,6417.46518208511,14585.2988997135,20159.2424701877,13971.4980043768,17731.2007935334,24004.223555312,18603.9464104848,8991.58526471762,16817.0513920298,6199.61103599757,12449.2559690324,78046.161877161,36917.0578093775,16880.472702776,7791.54987436117,22145.5776937064,11307.9309006431,8774.36405283247,9085.44285870362,12723.1524711589,8576.37649306003,11412.4476869358,14353.6134319409,12555.3303955486,12874.4201705002,5248.93323968301,5796.49109138266,14984.8350039674,10795.9583000866,6304.49819259498,19884.1472485966,21869.1394957395,8202.16701724442,9072.03699405451,7764.65208193557,8859.38176649105,7494.27183187519,9346.5861852504,10863.0092496748,9552.92481974459,14828.280766614,11567.2592934644,9046.80787982733,9813.98383168239,12629.2605001648,8549.76753849877,9748.82871217355,11214.9748622557,19352.266313555]
["14.43_299.1381m/z",299.138081192717,14.434,"pos","indoprofen","HMDB0253478","313404",null,null,"3718","31842-01-0","RJMIEHBSYVWVIN-UHFFFAOYSA-N","Phenylpropanoids and polyketides","Phenylpropanoic acids","Unclassified","*",48,47.5,"M+NH4","C17H15NO3",-3.33569722230787,1.27081535155103,0.0340369129448792,0.0984174974126671,-0.76337021707906,0.589118507905641,19751.1052656925,33526.5400774949,6175.37923390749,2878.78936414323,2447.57330081686,24354.7029504763,16956.5185296184,23490.3214907642,15071.6340180857,3440.62037369671,43809.6993805856,36890.424995885,115840.391943877,451.20792252565,48871.6137044003,17681.5749379498,16816.8497023785,12731.773037402,8804.51480216902,241.52904334879,15499.0265442387,74865.8621143097,21976.4881949119,5585.63881237959,19734.0713339833,11700.5289470498,15596.6621640515,3295.8423219482,15588.579153178,26146.4370876838,5334.83540762603,27411.7853349714,3271.73047835086,6787.61303878251,2036.25410235614,2273.50144360017,1928.49797160805,12792.1270257708,49191.7458059348,4208.83579664597,15178.3360659999,1091.54997236068,58361.2149607248,19838.3452278224,59930.2309190246,16995.0406445507,42508.2948693205,59585.1810112558,10248.8124111962,16655.7139535882,72170.3253882459,11355.6721434588,33766.1025114747,7266.12530167016,27130.6575596409,5041.27235868607,68711.0346012638,68484.0364280809,57122.1528168834,61344.3350806226,99013.8108607225,85358.6714973058,10037.8619851233,36053.7812522184,51417.261663274,6785.9910519954,30588.0840850676,3941.2178921941]
["4.84_683.2352m/z",683.235234576998,4.84415,"neg","Hexyl heptanoate","HMDB0032326","88365",null,null,"11479216","1119-06-8","JMHXWPSJVFXBGB-MHWGFBSGSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",39.7,11.6,"M+FA-H","C35H34N4O8",-0.990789320968771,1.2637622977274,3.42727433962315E-3,0.0184133077827173,-0.455377751756049,0.729319183958256,35019.7629479275,48017.0599076576,50502.8677630194,50643.1014469423,6208.08649560798,5888.55648338915,10013.4081570789,23602.9252762023,46428.3004599269,33540.7316410989,44556.3933187204,16564.6299343547,33376.2416626397,50599.1619815704,36811.8224328085,9836.59161310532,38892.2541925347,34504.3782372842,37421.4367140306,50414.7782680748,10537.2206625213,76412.0815045636,19972.7453289629,22771.7264564323,34600.3512602321,65581.6355466648,51751.6131375018,31139.7725049903,22027.2318260794,48552.6922887478,66712.8517875951,31967.1376504056,27881.3727584469,52621.7093726211,13316.3691174545,69325.070972801,53358.0842452549,58061.021003106,53341.4377584671,25081.2154015691,12016.3368602041,54408.6045894071,40703.2742860612,21980.3482602135,45155.8253484268,52252.2564363592,68236.6287022918,46411.0512222978,34564.1874168048,53011.7120816232,44719.0774470882,50889.765109957,82952.0466711427,77318.8364733964,60375.4147307154,33220.6207524428,40491.1852367384,49103.0061302979,44884.9083667137,33318.4990598743,46435.1595694996,42071.5791346452,28945.3996788276,81661.8244953809,39629.859690817,51998.5463861726,31737.9851998544,56902.2082342497]
["7.78_416.3286n",399.325319365129,7.7839,"pos","Calcitriol","HMDB0001903","6382","LMST03020258","C01673","5280453","32222-06-3","GMRQFYUYWCNGIN-NKMMMXOESA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Vitamin D and derivatives","*",56.1,86.6,"M+H-H2O, M+H","C27H44O3",-1.05122291222418,1.26099568176527,1.19158520358184E-4,1.40483948309883E-3,1.20920350492595,2.31209953224535,20432.8054441174,8837.33816782293,25315.1669135899,23041.9481077748,66525.7437129391,21828.5726886015,14327.7144075442,21639.1086202259,25043.4699574235,28914.7373300724,11784.485606648,22016.9442041011,11288.6030231232,18854.7014386172,6250.7204896087,9822.03255100258,17117.4697462134,18812.266858443,6481.29576444335,11074.7378687739,10338.4604599838,20194.1669832301,22061.8707001493,16058.9647315031,40816.6942894883,18744.9504405348,8583.8887694785,11585.8350045103,10863.8891690423,5508.05467730039,67143.8507168167,22334.3800496054,7055.59949074282,17839.4485185275,35012.8063658149,15682.3032107921,34376.5324213297,6191.0661298011,11066.8763780107,7639.98334648291,10172.3743501288,5240.15030995159,6919.41544758876,9971.50649247475,3415.00671281742,3864.31417468892,7361.19301026696,4699.11991192608,10943.7675153814,32719.9399715395,3842.73849478237,4532.7790877296,6977.23454348841,3978.08129689879,4269.81904888862,4774.42649834768,1542.20125589982,10121.9533526464,3988.95083292533,9158.9329108337,3863.87886641243,4822.9653885628,12211.586032633,2951.0736982436,5758.3748459233,13932.4583182203,9494.5124489417,15146.6432335983]
["0.78_144.0653m/z",144.065342337764,0.779383333333333,"pos","2-Aminoadipic acid","HMDB0302754","5496","LMFA01170098","C00956","469","542-32-5","OYIFNHCXNCRBQI-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",67.4,41.5,"M+H-H2O","C6H11NO4",-1.10044923476451,1.25847199139061,0.000115913042880873,0.0013740439353601,0.47712100010805,1.3919631321135,36873.938799908,26490.600181285,64297.1133830413,53084.435145487,41689.4450252578,45457.2067924907,35013.2089313917,31631.4150666941,24433.4129092121,44744.082426596,24149.6749353667,36421.4563268344,29435.1506320443,76010.792475714,22846.6059406445,35497.4549162196,35249.0454299303,26571.3174262204,26884.82883655,53495.1894011273,27477.9197268173,29491.295421315,41294.5796729374,32830.6444046067,28428.53700165,31837.7216992866,35485.9597157115,32067.1378897823,37158.0769405502,23765.4567971181,48290.5110869211,28866.3538781628,45661.2448801775,31758.060494044,35514.6447870625,21016.0581624057,23249.7005636646,44076.0485239969,20741.0552313796,41197.4721863559,24489.5559100675,44492.3977703351,24630.1284455208,34364.0368874036,23566.5922590398,42361.1207596578,30024.6655445086,20869.5135775766,43559.3722059855,34717.9005844528,19422.5823473752,23999.4315249246,19459.0303375739,18599.5531868158,23212.5067465178,20608.0947741408,20356.9430009865,21621.7897832662,20339.3483996912,19981.4782823597,26467.8883038803,19990.7351650241,20447.4333223553,28558.1974458126,19416.6642898542,21279.4229222651,26824.9739380545,30248.1135991561]
["7.16_371.1898m/z",371.189805489655,7.16358333333333,"neg","4-Dodecan-6-ylbenzenesulfonic Acid","HMDB0246414","984301",null,null,"16652",null,"GHNRTXCRBJQVGN-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Benzenesulfonic acids and derivatives","*",39.7,6.72,"M+FA-H","C18H30O3S",0.112813692104259,1.25461942315426,0.000115837162406117,0.0013740439353601,-1.79844495887746,0.287484293184707,3544.47986980682,12329.2992133296,6968.4028769743,2691.63202580393,732.787426267772,1376.44423537333,83.0862619639881,2246.71118947328,474.030246490038,836.433629000051,1162.2988306861,2242.93752522521,2169.99156240147,513.394060276483,1354.50862859863,1919.52968383139,2766.93011921015,12217.6274345829,17.7197740283811,10958.8404333766,13635.4788415201,2467.38796048078,1748.508763825,8594.3583011884,1372.25528813659,8398.81422401872,1934.98572716697,4320.79924911777,2433.24843508834,13528.5052454929,2605.87153687077,684.251372762782,1433.66964792641,961.875966919388,2114.51919954608,14524.9933386648,13878.6314569142,6779.44965768721,27782.7274110712,1205.29236823067,6576.05029654339,11143.7915618455,12294.1679352392,7582.49459877187,33204.6911195855,2423.58618311002,5247.61986217223,1670.00138371642,43633.5362299188,1091.27972432443,1512.14921110105,667.790669915089,1671.7656492993,15566.5004671188,12801.1343746854,10855.1472159349,821.295420718465,11581.4045735352,12433.9645818319,13569.3717447548,20761.3338167129,11460.0847671613,1824.61238923608,25740.4915753929,43627.8125007539,13505.8172534109,31.1763053808486,19396.7083951376]
["0.78_118.0417n",136.075507203048,0.779383333333333,"pos","Benzofuran","HMDB0032929","70116",null,"C14512","9223","271-89-6","IANQTJSKSUMEQM-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzofurans","Unclassified","*",40.7,6.34,"M+H, M+NH4","C8H6O",-1.55147440607541,1.24736674729194,0.00508519559360082,0.0248892201401917,0.216735450042235,1.16210099112934,60036.3856924693,51661.9348496773,50920.0421161609,69287.5830584131,49635.3824784469,67129.4625144868,66081.7784198897,59688.3359303072,46420.3953315873,35566.9178871105,73162.0900210531,50993.8484969372,60752.5494414108,40847.7983035681,47049.1429083651,83675.5495427135,45032.7178561392,50637.9738525572,60835.0261064024,52629.0503231477,59374.6326553979,53248.5229909716,56328.3744847708,54636.0731035989,99914.6611611709,74961.3342165076,49800.2074658231,57546.7754302321,69593.7909612513,64745.0036511479,57023.3101782627,42085.0920158088,89770.491525183,57965.0794717827,83861.7339508793,45797.3257922967,52478.5101088057,51513.922526732,57013.821574187,55698.5835527246,52212.649903887,63786.0084749358,58799.5419541022,50811.4772566818,55649.6956562156,37397.4506754238,47487.1464254749,51458.5116922946,47264.7690832464,43928.4022734719,47399.0249131227,49626.7925279571,61772.940878037,46379.4821250096,43855.8817948408,51705.7595622685,47070.3975728785,44085.8607969448,65603.2567404806,35098.5527258864,52491.431603828,64222.1341745125,65720.3869079046,46574.754458164,45213.5808381345,48138.9257943256,66598.5052969723,51988.3643776048]
["7.57_464.2824m/z",464.282409091338,7.56873333333333,"pos","Fluocortin butyl","HMDB0252350",{"$nulls":3},"21872759",null,"XWTIDFOGTCVGQB-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","*",38.6,0,"M+NH4","C26H35FO5",3.87929030309817,1.24301004629683,0.0415990470172397,0.11423448113308,1.34790761034049,2.54542685713306,24788.8466588723,9738.58140508199,11412.3777895498,768.32477570897,59992.119672358,4344.03428800616,11304.9675407459,28654.1990683493,31864.8227352164,4357.54988624583,9960.08917647897,26681.4384242428,21683.1383868199,8207.57004168967,31186.6620359544,12815.7094742403,69164.1617124217,2300.35834429098,538.60244894513,4735.88218022341,1273.696670328,12061.0087506149,13964.0967318368,62524.0616026744,103545.517353208,1790.54759226996,3607.46008961907,38083.0872600979,196304.183885317,12373.3162992761,17539.5151762895,133.085639227414,8042.74267144818,721.716439170494,6095.89559992044,4995.70679142656,4289.32786260612,5571.74549496494,4110.76039601246,6217.1422123172,3856.34073272107,5222.73437043614,10050.2953791988,3802.83975493023,3149.19492924235,20885.447007369,12206.6103364301,3692.59888906368,1398.06481661323,2101.40242795525,81.754040254622,11457.2552308653,16562.1529312262,17522.2660564912,1661.526340654,750.768452658674,8053.0530820067,5277.99097064897,849.94588598951,8237.26054638975,13778.2315958715,1928.02803753611,5516.87853370852,28948.0619556876,4548.49372288665,16570.8183442926,83710.4214646437,4368.06777460697]
["13.10_447.3481m/z",447.348097982661,13.1016,"neg","27-Hydroxycholesterol","HMDB0002103","6487","LMST01010088","C06340","123976","20380-11-4","FYHRJWMENCALJY-YSQMORBQSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","***",64.5,70,"M+FA-H","C27H46O2",0.284325544348614,1.23723445962005,0.0058098559006629,0.0274895312572558,-0.419490479544967,0.747688640884277,42990.952929809,57498.4700569537,27900.1642655229,59457.6686450657,32223.1320970432,45453.0202677913,45964.5475255629,122264.025942262,20357.1130679829,38131.5701104981,43151.5233371558,7908.23514209142,53455.6101272532,66575.1281724245,27164.5626473521,44379.7031259748,34481.7372062412,69031.9741344735,31069.1875457918,45420.9753676896,40264.5403958737,52492.5821681564,50794.3315698177,36379.4702186999,29443.5011947316,44135.8149079707,31563.7775087162,52832.9812507617,52967.6027573772,46790.6617053186,25247.8813759231,11453.2612731969,47557.0969423628,24673.2851387825,57714.7795478325,95233.8671195413,56149.973640695,58888.415994568,21534.8806269898,90591.4258730249,68804.251600364,27721.1139535482,35981.7893712459,72099.6294016012,48938.7400911056,56061.4537640697,54135.3810578307,48208.8235100045,63444.5129374221,21298.2696833166,68597.6253211765,37307.7232458718,38096.4551252277,57848.6074621736,61888.4481956642,60671.197559485,99260.5131562964,56684.6964459045,47419.48158417,39165.5225782724,44494.4155833154,50687.1595556415,42005.387761055,80050.5106762298,42223.5970413481,99332.1653238245,62594.2389225524,90029.2377159371]
["11.71_463.3432m/z",463.343164417043,11.7137833333333,"neg","(25R)-4beta,26-dihydroxycholesterol","HMDB0062607",{"$nulls":3},"91825745",null,"IDLRVFXWSUWMHI-KUYJPBLDSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Bile acids, alcohols and derivatives","**",57.4,0,"M+FA-H","C27H46O3",0.636348796483095,1.23595283565637,0.0112296530024081,0.0445839977962114,-0.399293994681815,0.758229243785743,47037.2795285491,62035.6968740718,30531.0560569811,72053.2163193335,38239.2355214493,40983.626799303,46473.4176555518,146487.40327612,21081.602532694,42087.9546759672,42222.791885698,10706.1955583671,57942.9852193035,59233.4160151825,28626.9197863503,61414.7343085128,32043.7426963905,66555.9682236468,30492.2196693408,67349.9970734528,40653.0818317724,64199.7770954567,55116.4960287923,34808.8111085805,44181.5154938296,53926.2990720147,26732.0406072094,61318.2526086044,53322.2055929024,53266.7902074466,28450.7162362717,13852.1320413635,41721.2412265944,19912.1436850126,66242.2383326236,111231.166973755,80224.4104175691,54791.8593542824,23794.6521369631,97969.0274800123,68009.1464960863,31428.5956404982,33358.1650410716,69191.5224620016,52224.5012082777,58253.3506248274,52586.6419268892,50673.6894090712,76656.3158448053,22938.7376121436,68061.8616526885,43766.2483078553,50201.849023923,59233.0523728063,67882.6170229276,60602.4733133829,90365.1291896292,55284.2018664068,64767.3022515061,54356.6995650182,45989.9020173791,64428.6076413039,43845.7194368131,67489.9251919953,42836.2279878932,112712.073515446,74624.5822886626,97397.7415704796]
["1.00_192.0263n",191.019031926315,0.99665,"neg","D-Glucaro-1,4-lactone","HMDB0041862","44758",null,null,"122306","5027-63-4","XECPAIJNBXCOBO-MMPJQOAZSA-N","Organoheterocyclic compounds","Lactones","Gamma butyrolactones","***",65,35.9,"M-H2O-H, M-H","C6H8O7",-3.61529970031509,1.23148935585405,2.86032256433924e-06,8.74104079065504e-05,-0.737532413435751,0.599764312795365,12220.9233320889,20376.2095732738,8798.05510075764,15055.5151227618,13127.5021790553,4405.74636931691,18290.7099283316,10168.3009396496,13403.4583822838,9622.08368902426,8091.53012602353,11951.2313393108,16066.4418236598,4088.43658974267,8500.60795557063,7193.33712297096,5271.19066476311,11478.8960703744,19699.446370486,9422.84376047177,8560.29446589438,7558.71562335923,16135.3127011658,13115.581145308,5254.49389087782,7729.7813251125,11161.811868322,10054.9267096992,9387.35665876765,25427.9311042887,16261.0474857757,11554.5948939778,16679.2834376259,22151.3367343581,27622.6683798465,15616.3487134132,27060.0274708517,19393.8729849681,19721.1621893677,13831.095220343,15940.417820925,12797.5743388237,16181.4664722743,13875.7437529558,27486.5224457506,13901.9216884623,34305.7924462352,23584.5914333799,11850.8842801275,26286.1142997679,26452.323927091,17564.3295116661,13715.7749309443,17840.0006774183,16365.0557995739,13535.750101869,17113.4362176998,22850.0305486108,25121.2552911139,21852.2399445221,21468.6482148831,39632.7933474543,12900.0832618048,15927.2185492576,33997.4841848359,25331.6786695909,26189.5719043627,12723.7052776918]
["11.13_451.3161m/z",451.316103666029,11.1335666666667,"pos","(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol","HMDB0032108","88191",null,null,"131751260","71097-07-9","FMEOHNKBCMQEEH-BQYQJAHWSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Ergostane steroids","**",37.2,0,"M+Na","C28H44O3",-5.04818376216678,1.23120158273347,6.46464378325283e-07,2.92195229094284E-5,-0.358055496387956,0.780215466919466,24320.7945782652,31171.8949565192,22941.5807961424,18610.0224652495,32942.3507784928,23144.8998046992,23681.2829591445,31076.9230137291,23970.4815063285,23675.9319683337,28848.1574832681,21952.0417350828,17932.8335250195,23709.6795796086,25528.4635797989,20512.6213836893,16777.90428528,18882.4305831985,28395.1183824077,25646.7936505565,32198.3254270468,22107.6258873088,21674.1457233568,25341.7971546433,26013.4675375235,22118.436436347,30473.9929867013,23992.0080718745,22571.3539940998,31179.9179020933,24516.0941464633,19149.3986699682,25630.0811993421,24019.5246182818,23370.5338476699,26613.2411342671,40424.9881904035,28442.4771605228,33046.159257529,39858.9675187714,30663.7309755017,34628.6138646431,26473.1539747113,47068.4232634026,31524.9326274772,33430.5420748148,22458.5237685019,28517.0075006263,43999.1207463862,27794.4021887471,32443.0619643524,31435.4744768558,29529.5992971791,35245.0051280143,35235.0602034827,38315.9670114807,27513.1315917914,27388.300388549,30708.6012251857,27415.9728859602,28311.1828622508,25789.1589584944,26818.3517710838,26323.5229073952,34556.9865914259,28037.2865029367,22118.0388871026,26543.5466652864]
["12.74_265.2520m/z",265.25200515949,12.7420666666667,"pos","(Z)-13-Octadecenoic acid","HMDB0041480","34954","LMFA01030290",null,"5312441","13126-39-1","BDLLSHRIFPDGQB-WAYWQWQTSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","**",50.4,29.2,"M+H-H2O","C18H34O2",-2.0793898397482,1.22114667011269,8.37196524020015e-06,1.9365983482713E-4,2.69800457921085,6.48903784122512,8098.40279901783,1248.01287913107,4577.61469440584,3980.17319862931,13490.798620868,16137.2453570071,13447.6483243422,5809.19309681812,769.805497760437,4628.86964586369,1122.01287065045,7130.07220145386,4074.56139068158,8862.48501443434,639.035292826234,13072.8508376866,2447.04009988753,4339.25389475519,36514.1466475325,1693.24634398186,1255.20250554749,2215.15374850228,9725.92366346166,9410.25024784512,6519.09604137428,4790.61083607769,4726.43100891707,11318.9261504798,7802.58857586079,7203.60334946386,9574.85158094981,6264.27016623184,32674.0959881072,9825.29999880492,1204.93547637984,177.128371868927,932.741271783487,840.659398095543,476.776229281305,995.059008845615,622.425556544364,881.106836966791,1793.98944802015,2047.22836022371,851.185842942518,998.682914128105,1063.16124317265,1253.20757956171,1539.29959139238,694.326606740045,318.852782041017,732.358735100604,496.808085381955,633.249432947711,246.737989628336,1292.18137580792,754.29936123305,1031.52418830357,1777.72962940711,711.715019128268,868.417247433885,608.456040474991,1011.425817627,650.108261736583,678.991577943923,1208.95533901414,6326.77894358761,6668.85692496038]
["5.09_328.1111m/z",328.111055089081,5.08743333333333,"pos","Esomeprazole","HMDB0005009","58285",null,null,"9568614","119141-88-7","SUBDBMMJDZJVOS-DEOSSOPVSA-N","Organoheterocyclic compounds","Benzimidazoles","Sulfinylbenzimidazoles","*",42.3,18.1,"M+H-H2O","C17H19N3O3S",-1.06962501369951,1.22038477343201,0.045024768219913,0.120174281202348,8.57476432997595,381.295139380747,11002.9173854941,28.8566945892982,2.78597719902934E-10,2.78597719902934E-10,1319.91117786922,92351.5570917642,2.78597719902934E-10,2.78597719902934E-10,34025.0960966928,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,28.1012581324647,2.78597719902934E-10,64.465782068325,243.937636848332,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,60.0361748528832,2.78597719902934E-10,4233.87670558245,2.78597719902934E-10,14266.2559741914,236.352621146967,74593.0464332607,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,137611.451544048,1369.11312274075,2.78597719902934E-10,2693.07210210253,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,639.558415088927,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,0.258566889086524,2.78597719902934E-10,2.78597719902934E-10,38.8616569574327,2.78597719902934E-10,33.6264779822032,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,64.3939254489027,24.5951885735749,2.78597719902934E-10,96.4773632292327,26.1615955993987,28.3377316713974,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10]
["12.50_286.2285m/z",286.228531080021,12.5001333333333,"pos","N-(1,3-Dimethylbutyl)-N'-phenyl-p-phenylenediamine","HMDB0247397",{"$nulls":5},"ZZMVLMVFYMGSMY-UHFFFAOYSA-N","Organic nitrogen compounds","Organonitrogen compounds","Amines","*",40.1,8.4,"M+NH4","C18H24N2",2.82172936651028,1.20927105706643,6.85318916511615e-10,8.15284753892925e-08,-0.806399781546233,0.571807012661671,9401.3986924006,16441.5589249922,16229.4556340839,1996.39231775203,16081.2770194312,17486.9269662353,8753.50875581961,13485.9811452005,7162.39840538672,3917.03756844921,4288.90197975508,10175.6887625976,13743.5210229663,7128.95328824284,5559.3973626603,6831.58545738948,4784.57966557036,6848.48747437605,9318.95150707519,7091.50235528859,11558.9120403863,10650.6356804824,7445.87957905409,8150.74956578826,16080.3532320761,8525.45478712902,15526.3132795368,8690.32017200423,7289.94802550125,4094.50267987956,13329.6727318261,14875.7782574825,14028.6055438195,3208.42097879243,5906.06360718091,22321.7138711217,15956.6639185663,12791.9073511996,14065.457828167,10220.6433284274,16412.3580065706,17746.9300409308,15501.6190497486,18486.9571823314,15042.2811322873,17074.3271368153,17491.267526063,14947.1048301619,11663.9283035066,13052.5800997259,13681.1084880073,12496.8086663123,13605.6341746698,13146.4206106457,11053.4252792555,22898.730272064,16233.7261142667,17327.5555026638,21379.5622032996,18719.9134095472,19620.6314182176,18446.2176863046,22443.1130627011,16828.386900703,14697.1581891603,17605.4609552981,23189.1396153043,16422.712370697]
["5.41_329.1193n",330.126576063417,5.41071666666667,"pos","Ufiprazole","HMDB0259389","1635",null,null,"155794","73590-85-9","XURCIPRUUASYLR-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzimidazoles","Unclassified","*",45.4,33.1,"M+H, M+K","C17H19N3O2S",-1.5138300284765,1.20048217879792,0.0450952936454614,0.120266151427568,3.69497232796894,12.9508270552781,11384.8864555515,879.085668193803,658.761824311638,1479.15260672742,4842.39266344425,93477.0178195435,272.068339727937,397.576727796933,19381.5467930872,314.322536703602,213.43620604203,572.538253552582,1280.57329747265,800.994113291082,319.630748857776,203.809607932078,646.631336340981,477.708265590191,1037.53226111953,834.04951430972,522.802351571678,2191.42230643074,514.229788370248,7247.1164343824,351.694831632441,10066.9389718622,1379.61771035562,79806.9710870479,1092.95320995122,414.779544922744,271.239081381657,127750.412263421,12216.9323807285,587.73921646939,4076.66093882182,109.881329658032,468.289786826306,3114.55933345222,86.0762243201728,837.13604911019,2086.89287403682,1868.11107920182,307.648112715258,861.087827312424,146.42604975948,1101.62583115045,440.706337307232,125.090165585702,1630.01711150743,749.116803814678,182.992119070621,1808.74898518635,628.083399365403,1908.07688641696,1268.58475997579,336.548876878074,170.148178949572,33.1112410289466,387.066300275912,1212.77598702579,1640.51663744643,270.619054716596,1226.62906079629,425.088833308921,574.662659493544,972.023567578618,915.269211072,1116.21637605147]
["10.45_811.5397m/z",811.539703626441,10.4484166666667,"pos","PC(DiMe(9,3)/DiMe(9,3))","HMDB0061420",{"$nulls":5},"BOFLCSBQACMYRU-UHFFFAOYSA-O","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","*",36.8,0,"M+H","C44H77NO10P+",4.83375304701717,1.19791501770521,2.2374923180177E-4,0.00228473967001372,-0.250221680664842,0.840767215284088,47231.9323136576,56177.1813351432,43071.1839804211,44938.6565508763,40812.690308544,42974.2735851353,44487.6945358899,49114.7894049392,56169.8928542854,45115.4889808851,64487.3262482573,47115.9425675999,35175.5980840091,48754.5116456382,44697.7734078426,40835.916474338,38815.6301616989,37996.133331595,42208.1567932445,56244.1932417177,49304.4149182583,50763.5329549301,41453.4874915686,55801.6793390715,47728.6955562492,41381.0992826458,49296.5181323353,48629.5302166433,42335.0693417837,66290.9117658225,40368.0547776384,45201.4802168321,45130.8021390427,58474.4627575865,53478.1753033763,44286.9532762109,65162.5184868158,43368.6789530296,55576.7220238788,52077.8030205455,62880.7592971464,45619.5577496896,63676.0126485495,59305.5131670415,46776.4840770103,54211.5942541333,42456.3880222354,55347.0866762497,72875.5875778613,60048.6955199263,51289.8852892615,53921.2621330425,58013.3981804418,74429.9290359297,69412.0354029671,85785.540251052,58890.2421895096,54534.2601242285,64650.8902632039,52233.080408217,56097.0687911683,53596.7035750264,56766.7836180644,50976.1149434731,57056.6166231828,63308.7186732692,28171.4661066231,41042.6337007413]
["4.61_689.2864m/z",689.286366630903,4.613,"neg","Tetraisopropylpyrophosphoric acid amide","HMDB0257971",{"$nulls":3},"53795199",null,"FEOZJNALVSCKHP-UHFFFAOYSA-N","Organic acids and derivatives","Organic phosphoric acids and derivatives","Phosphate esters","*",39,0,"2M-H","C12H29NO6P2",-0.54869586731747,1.1976385440179,3.88763421769852e-06,1.1349183149983E-4,1.1248473847961,2.18078475925225,16575.2458724653,7600.58772519513,32421.4303860208,30509.2613475119,7355.04189445158,5554.35303426966,13964.828403324,9097.9902196125,6416.01475140973,20034.5683606958,14948.5752768975,8733.40835698449,4801.81781930729,29262.7602435201,28193.3582286077,17345.5668174656,19642.6851549017,10837.2928957068,3902.18339888629,26090.7400030143,6705.45265482307,11361.7727153572,14380.5075719088,17636.476706933,11309.3682374511,7674.01722894921,24622.2642037617,23722.3908219463,12224.8788215501,9869.0019666595,44111.9481275032,15672.1977230819,15230.9028236262,11225.5044168244,32124.5531783911,4752.95405871727,7121.29445185195,4411.04435057195,9835.11217265511,8818.54773867556,4101.68670009569,8782.12305120807,7762.54458705412,3987.29799122176,5485.01486323658,8500.7308526188,11012.396230399,10322.6952546073,8335.73408899454,17145.2294892141,7744.7283785869,6413.9112194839,11413.9895362983,7992.13423018099,7278.39769001095,5619.71306947569,6164.21937909753,9726.29931203259,7655.39346909139,7977.72849003138,5159.75649570195,3830.27653608151,5471.89868265356,7249.31025617673,3271.56860708593,8595.05744616872,6688.20798678323,12192.3982653763]
["3.83_201.1095m/z",201.109477584122,3.82541666666667,"pos","2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine","HMDB0011657","62402",null,"C04744","127546","77440-13-2","CGWDNAFNQOBSCK-UHFFFAOYSA-N","Organoheterocyclic compounds","Diazines","Pyrimidines and pyrimidine derivatives","*",39.8,0,"M+NH4","C6H9N5O2",0.150224106654748,1.19491420779368,2.40916529718194E-5,0.000409435183924135,0.310654982906879,1.24027065446424,39563.1098762789,31898.7712350325,38075.7465049304,31910.5146945429,25003.8789648301,33457.0491113156,45028.1734171601,36560.5988391119,36796.3121199029,46466.1824500948,39892.6219040195,47915.2848195987,38966.0551144651,48818.3501384976,43578.6353456285,50502.7617231023,40013.5882087616,47217.788589004,43174.3364774182,43951.2095013699,26170.9407316505,33915.4281995429,32730.1912528336,35710.4808990162,38420.1919079796,46886.817821348,40460.566025994,26847.0459697401,45957.4911604916,32378.0263279162,27853.4297389745,53432.1384610695,43855.3271158655,51235.5129639491,32399.9494170773,25116.2432910962,33174.3277149548,26939.9522148227,30566.8469152074,30715.867647739,27654.7052002991,29405.4966976064,30232.1719852526,25613.3221587387,33472.1975291156,29447.6790491163,29215.3727909262,21501.9787165945,34940.4601850472,20806.2971660664,39553.4664717206,38743.8150542678,32774.7540224938,28192.41075606,30858.320801305,34714.9786926482,39919.7677763242,41024.7558738325,27477.825616622,39320.7621056137,40087.3725053542,30670.9784720975,30622.2727287705,43408.8260644929,33779.5272620691,22811.3139891341,31210.481150794,38684.9021498883]
["1.09_136.0755m/z",136.075532881562,1.09406666666667,"pos","Dopamine","HMDB0000073","64",null,"C03758","681","62-31-7","VYFYYTLLBUKUHU-UHFFFAOYSA-N","Benzenoids","Phenols","Benzenediols","**",60.3,26.5,"M+H-H2O","C8H11NO2",-1.02865285560798,1.19478512269427,0.00121413498875331,0.00820341510656649,0.253904937700672,1.19243029792829,41654.7369783853,34932.6388726919,34346.9049792152,46531.8707435142,37167.9933242601,51304.4406834688,46796.2087085192,40740.3762938713,32130.8796250244,24451.3950861113,51521.4248230919,35564.3735793774,36889.8219946345,30864.3904105728,33269.2765658924,63119.3489035145,31198.7818099667,33540.8522483043,40051.8134429277,36539.2595303262,40432.6193025118,39003.4658479793,38212.3483249677,39193.0419712976,65901.6169570799,50411.9817042481,35876.4985209945,39857.2092093318,47095.4064221585,44417.4118347889,42380.3577044399,30719.3180423786,64009.8553269281,37287.3609647727,53778.4154002441,31544.8476802531,37391.8079708685,34600.5126685633,40814.2561511504,38693.2866479316,32517.8992557756,45760.4108304118,37337.2268590617,31722.6606312295,37472.7348465037,26983.3485406321,31001.8768078769,36330.4568515655,35632.004335807,29202.8345737212,32356.6083742581,33906.9302682688,41278.0162490924,32292.3070014393,29551.8819423338,35005.5900216397,32026.0969487703,30284.508678328,42581.7022508167,23094.7840660517,35586.7964674976,45141.9853414453,46201.8459047702,30082.1340305716,29703.0997984321,30887.4248263789,42472.8458841391,33316.3600932457]
["1.43_148.9768m/z",148.976848938794,1.42968333333333,"pos","Ethylphosphonic acid","HMDB0252085",{"$nulls":3},"204482",null,"GATNOFPXSDHULC-UHFFFAOYSA-N","Organic acids and derivatives","Organic phosphonic acids and derivatives","Organic phosphonic acids","*",41.8,14.8,"M+K","C2H7O3P",3.7281464675493,1.18656481205711,0.00105844793805679,0.00742803638789467,0.0820135272946959,1.05849431970128,151869.980723139,143477.369596086,138253.520607733,138439.286164724,151705.630046373,148122.296959732,146637.958153699,145600.040580526,168913.583226418,149113.966680804,144670.856004619,167123.273410302,163764.554650658,167909.43618588,152528.150281518,159061.577432433,157967.713272988,155788.001352365,178429.112752878,141418.24246221,156949.933192004,149064.806173845,157635.833305148,145221.18926085,146727.395469106,167242.655836548,154151.626411415,144907.389643029,150795.282130085,137159.396595023,136936.16395147,167792.820260862,152933.512554752,143149.612964083,125594.545889507,156629.861504588,128602.699934644,144274.509907782,130809.993893048,141326.993790318,141402.953384495,151263.642322121,133131.316837889,135524.753764132,151370.201019704,159720.358297987,144100.903870651,147785.491895481,128295.113876689,134747.814020814,145310.599962324,153965.962424471,148909.533937431,132419.10445419,137575.978900906,139985.274623072,149356.020464166,149141.950824362,139934.494209479,144341.579297658,147756.555037403,138721.74994107,149301.788121001,150547.834765861,140237.547041094,138992.544768948,152096.19847831,147171.871098763]
["12.40_163.1116m/z",163.111604808309,12.4043,"neg","Methyl geranate","HMDB0059816","317141",null,null,"5365910",null,"ACOBBFVLNKYODD-CSKARUKUSA-N","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","*",38,0,"M-H2O-H","C11H18O2",-6.77474038224028,1.18652226345279,2.74828532699018e-06,8.63635700396632e-05,0.772877579805262,1.70867448569058,15519.4275392876,9082.72913843813,16118.439407186,18818.1447872472,14264.5629788862,14372.0903707621,18744.4880044147,26304.9234535131,12212.7671025902,8858.616304652,11528.8822107284,7203.95565307484,12768.6854940005,7645.15409778125,20521.5026364802,16309.1455406683,8432.76840860964,10987.270926673,10970.5878736183,10328.2041792419,21973.0129261077,10978.2165181821,6249.51581535888,7281.61280496008,29813.9433968547,21936.0599113236,17865.4461106026,23556.0675882491,18447.2721445664,32005.7362466114,23940.6891509166,12622.9679729433,11492.8841130931,19700.5530565144,7886.94161008001,9075.47990636206,8730.2085688183,7409.58911141902,12407.9852740855,9321.74989312744,7775.81415277212,8174.80275511453,11041.7914390491,7608.3694204337,14615.4058489703,7447.44250818089,7365.45607570639,12699.1757748507,5951.85700906485,12461.4562569871,6839.08132067722,6451.29029589767,5295.35281058022,8896.54544997196,8688.26929629218,9494.39690408173,6811.6712718848,8553.97643440297,8762.71561321657,9438.73336364982,8695.54242284378,11388.8304969243,14592.7102958252,8266.11449267391,11632.0076409172,9059.98705243352,6844.69712184909,7931.55528939401]
["7.47_328.2478m/z",328.247802069217,7.46718333333333,"pos","Undec-9-enoylcarnitine","HMDB0241162",{"$nulls":3},"139947493",null,"NJRZWVGRMMLARR-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","**",59.1,20.6,"M+H","C18H33NO4",-1.32289104397663,1.17814704928268,0.0226361422496986,0.0744333562031057,-0.587922539250172,0.665300240682561,26533.0660239842,39881.3413877061,26000.0964770904,19122.3398385904,50783.7238786874,40781.5269337386,29087.7950013899,16115.2541244112,31828.5865834278,9091.69983033673,36509.9938950501,45580.9174836149,8844.82238378792,40929.4630537573,35417.3200606218,16183.5485797565,96592.6040297679,14023.0554290446,15770.4811979539,6495.44328492949,23196.9220759445,26906.8042162549,18061.1077101273,30338.7112612243,3973.25361636393,17924.5822992304,8620.32014678965,34906.6776743881,8462.280688954,23841.4064987399,63864.6746476976,24959.5240541641,15914.6160515401,14253.288446793,21208.3373373107,31188.8055137883,119417.102219656,32891.6546676926,29754.8219799464,17115.7585322946,21159.5770274134,76949.7216698362,32386.4739474689,36462.2646450911,17181.3179037917,14845.4193487059,114340.847327486,45148.0290226613,33971.5643547379,15454.8535981885,41787.6872972086,65329.0586968962,45501.4860294161,22660.7608072693,36523.3340611484,13699.8189962383,17985.2095215931,66349.7927718763,74399.4973933606,40485.884354139,49536.6802198133,21877.049963012,20118.5431645762,70424.7907162266,31977.2687840259,24272.9598466705,13486.550564936,21399.6808471355]
["0.68_188.1754m/z",188.175418202083,0.677966666666667,"pos","N1-Acetylspermidine","HMDB0001276","3323",null,"C00612","496","14278-49-0","MQTAVJHICJWXBR-UHFFFAOYSA-N","Organic acids and derivatives","Carboximidic acids and derivatives","Carboximidic acids","**",57.9,25.8,"M+H","C9H21N3O",-1.71256067156755,1.16065705573416,8.77693626635143e-07,3.48047317895436e-05,1.12778495301001,2.18522972529727,13353.451857336,6110.77714290173,12867.5626604285,9890.77155721698,5234.43936039073,26205.4590626442,11038.8387504103,6371.10225338167,25775.3484993928,13525.6769354927,20102.2603771886,16564.2979691648,2169.33350370594,10334.9171065949,11237.9230022159,10359.2444184002,16772.893830002,18931.1432241414,8815.72382177139,6175.76202071098,5021.54635326559,16136.3056181935,13636.0924915514,6296.6335222624,7813.05747182197,8710.97812271097,17831.105684583,9301.72038372399,10999.1048634779,10032.6845516551,18587.4192461046,21747.9368166537,5043.42123032757,18959.1817161972,38174.0248663049,7597.27761553997,6391.53613519508,7359.33860828277,7878.3984245975,4825.16587797466,7184.89354990885,6670.27234738341,5914.66686548293,6431.29219804645,4924.60509367354,7060.16584112772,7909.87925947261,5167.01201693743,8703.9338537707,7794.8407467033,6788.95479660537,4723.24363006211,4071.87320240788,5635.12292380639,6272.12874830186,5481.10936155393,5608.75369725598,5711.68230218198,7375.25302333151,6246.51811437967,5926.87889556961,4863.04716779903,7346.58117740748,3538.05323192984,5735.81474738209,4681.75566214629,4139.71401681177,5695.88258272754]
["0.68_176.1219m/z",176.121930115011,0.677966666666667,"pos","4-(Dimethylamino)butyl carbamimidothioate","HMDB0246305",{"$nulls":3},"5227",null,"UFYJLJINUGVUHO-UHFFFAOYSA-N","Organosulfur compounds","Isothioureas","Unclassified","*",36.9,0,"M+H","C7H17N3S",1.91374082573321,1.1602822129435,2.32083945092767e-07,1.2270978112762e-05,0.739645154370478,1.66976509250952,12885.8040821039,7717.13586534351,14943.7198275183,12095.4166214797,19272.8461559559,8804.22792211333,14677.7291721282,9066.6224557423,19492.0655698257,9990.83710285083,12069.8514720184,15468.6980680007,4930.77394864412,14369.0000844691,7956.96054000276,18324.390634152,13271.3264640055,14420.6681322832,4617.82275948966,11586.7559482921,5326.73026956826,15146.6705242808,10309.1623467478,10839.8427481411,16755.6685621306,19853.9598757769,19822.559363443,22170.3843010882,14302.2873184559,8272.53025424477,8438.54505730647,8755.80652136793,14607.9741311669,15552.9584111649,9716.74214557226,10781.3132049268,10054.6732877094,5678.88724567469,6663.5076771492,9142.13339031148,6820.89100193931,5950.84723929261,7496.88800215076,4673.8423194173,8836.70472323714,4695.31963994906,10010.6417047763,5768.57479610673,3566.65461435339,9703.72212584694,9782.15853853382,6622.08571161547,8474.50730759209,10814.1359624196,9599.16330941745,5100.65733989341,6652.61150719508,7254.77509520592,7084.28466080721,11129.6308322092,10627.3670316123,8857.75704512326,4712.92679698808,6263.69784649792,5662.62024573942,5578.6460677539,10964.5107884351,9639.34649645546]
["4.70_379.1276m/z",379.127556669549,4.70381666666667,"neg","Mitomycin","HMDB0014450","590",null,"C06681","5746","50-07-7","NWIBSHFKIJFRCO-WUDYKRTCSA-N","Organoheterocyclic compounds","Indoles and derivatives","Indolequinones","*",38.4,1.81,"M+FA-H","C15H18N4O5",4.89066064581185,1.15413045421954,0.00936685107137335,0.0388555179560954,-0.528365096448957,0.693340001876606,29371.2139997793,42361.9204434804,71619.9796005517,8580.93977564642,3953.06216967,4952.05486344756,44397.1126457162,35400.69520505,22641.9307714817,4919.71098170171,30645.4702911669,16215.6714226668,36870.9633095357,49663.0982296032,18646.0614322678,16490.3741910503,47765.420686564,21805.1358026559,47558.7179148637,21033.8565464106,56801.8231369837,23607.3156365528,41776.8290863427,68120.5677920634,35363.0457801346,8272.65594189972,55583.4020845367,34597.2880516772,19598.5465918307,12809.1054635327,7700.09510820006,28091.2112498056,47520.5974285732,13701.0301831545,12546.29261738,21086.9660291145,59103.1449629882,24686.6565787664,48189.2630391558,129136.458830992,17377.384018055,30288.7024969292,33860.8003379848,58169.28271895,39106.8670286099,45270.4844297395,49527.6186165929,50254.7391951275,50433.7313057988,36302.4539323201,28955.7659109351,30615.9215274981,43602.1958656788,26297.0426713159,38890.1952819863,75026.2876569537,55403.581123974,46206.9128256921,40200.6601191022,26065.4149179689,40464.3554557616,50184.0117270714,54627.4224831439,24353.7297231575,24200.9771619667,46085.5298573138,27639.3335844075,26329.4832198013]
["0.76_282.1192m/z",282.119194125341,0.762083333333333,"pos","1-Methyladenosine","HMDB0003331","6888",null,"C02494","27476","15763-06-1","GFYLSDSUCHVORB-IOSLPCCCSA-N","Nucleosides, nucleotides, and analogues","Purine nucleosides","Unclassified","***",58.5,50.2,"M+H","C11H15N5O4",-1.72987723763349,1.14978345654632,4.30268046685625e-06,1.19435238625818E-4,0.456568650261405,1.37227407525733,19698.197823705,14354.4195571946,19098.8268174226,15333.8184447299,20669.8258413748,30256.125535779,20829.2524548972,15803.5412585228,14267.9239989569,22682.4365986603,17337.4016467553,18117.5458629987,10021.7003410505,32244.4802250342,17902.0046880889,20385.447936335,22220.3419241317,24752.1687880319,17620.8408488421,14660.2610949979,15936.846011331,31250.9680729086,23634.3798201805,14402.4334049206,17397.1941049836,15601.6299903892,25965.0914299005,21884.4129414759,20223.2790955707,16960.7676961938,9457.59748332664,26792.776819632,19421.9385815812,18304.0213183732,18603.2471048865,17256.5726060394,13286.0715812993,16447.8836324648,16897.8204639665,15193.0289835299,11793.2850121527,15648.8335680626,11771.5818009592,13876.3595138567,17515.3932640096,17799.2047978017,15596.1674404429,13398.7835174356,16093.1004623966,19097.896997898,14547.5968797523,9340.04565378602,16170.2283630789,11773.7237210865,7762.02779888263,15833.7058508385,13314.3319442922,13864.693349967,14963.3951691555,11713.5050691172,11705.7809397409,13091.356469672,16950.6259143699,18614.3757807159,12454.1920980278,15379.7465539457,16583.9626427442,7960.56754593327]
["5.99_481.1320n",480.124731150909,5.9904,"neg","Talampicillin","HMDB0258686",{"$nulls":3},"5373",null,"SOROUYSPFADXSN-UHFFFAOYSA-N","Organoheterocyclic compounds","Benzodiazepines","Unclassified","*",45.5,39.6,"M-H, 2M-H","C24H23N3O6S",2.60036075970608,1.14913322395241,0.0168495238674655,0.0601562315139631,7.3593309217276,164.202345151488,10433.2186021826,63.5387916814298,208.91479221245,68.4919714397761,2.78597719902934E-10,124761.429974393,573.542879689202,19610.1394789015,37076.42416874,2.78597719902934E-10,15513.218726273,158.710930691095,196.999158903495,44962.2752827966,2.78597719902934E-10,86.7537049733994,156.585592024334,74.0978984992066,120.615512204402,2.78597719902934E-10,117.302249841185,182.360363768392,2.78597719902934E-10,57.1634032978448,2.78597719902934E-10,169.060159744664,28473.2525726189,33.1728196184104,34247.0754986714,165.156176550189,8680.1075205906,68.0235337476447,28244.3751349114,200.926423220816,90.0379437024642,150.361536364872,2.78597719902934E-10,60.9659871738643,50.105124108316,16.4102149748231,91.4163832611142,211.849832761934,79.9197988233406,2.78597719902934E-10,34.6709084763292,205.045047386083,62.6833875718393,70.1724588799618,106.350151921845,216.98342672134,67.2909161203527,2.78597719902934E-10,50.0724467657731,169.479007606072,2.78597719902934E-10,49.4778542987803,56.6103145159283,2.78597719902934E-10,26.8239174044359,74.3446606922,2.78597719902934E-10,55.6525035029216,2.78597719902934E-10,2.78597719902934E-10,136.92082248691,2.78597719902934E-10,53.1734236653624,2.78597719902934E-10]
["0.77_314.9492m/z",314.949172586402,0.77085,"neg","Chymopapain","HMDB0029845",null,null,"C11159","9002","9001-09-6","XXAXVMUWHZHZMJ-UHFFFAOYSA-N","Benzenoids","Benzene and substituted derivatives","Benzenesulfonic acids and derivatives","*",36.5,0,"M+FA-H","C6H6O8S2",2.07655733242402,1.1483330519567,8.76915416652919e-16,9.73668417623624e-13,-0.548282824026271,0.683833580980031,9678.22050456677,14152.8886175735,13131.4478830759,9445.84446745699,10339.6351612509,8693.5282722032,6764.01189366174,7138.81028789323,10814.1973298271,13537.4149040587,10338.2706477335,10528.0532906926,7693.5384114604,9508.02713519977,9063.50338651876,6499.47663461227,7496.406218917,11312.7299842429,10590.1983877335,11850.6123957187,8270.45101441798,10645.6701565176,8563.06005415852,9819.04718716802,8778.93810266401,7959.48743466765,10746.5837352184,9058.65793668008,7881.67843718709,11465.3537100402,9680.20549186612,12293.0504197378,9229.0523617582,9215.34036722842,11028.9935491363,15098.930724273,15538.403134655,15466.5632160789,16508.6415298528,13246.5539826876,17357.7936080036,16119.8102672537,12801.2746923432,13665.0485696426,15207.8700709151,12117.0421080429,13307.6332171093,13707.2439113862,13116.9581027707,12816.2073902715,13208.4121911173,13396.160871355,14467.735042129,15239.1991273092,12780.1393045019,15425.2032365858,11135.8488869522,16894.1680501525,14175.4396587708,15796.6339020977,14565.6073310134,11098.1211595578,12034.5862126675,13401.8011313243,11905.1057982594,16885.9480519141,14302.6642201719,14256.5756787582]
["9.79_321.2396m/z",321.239578811087,9.79076666666667,"pos","5,8,11-Eicosatrienoic acid, 14,15-dihydroxy-, (5Z,8Z,11Z)-","HMDB0244588",{"$nulls":3},"133224",null,"SYAWGTIVOGUZMM-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","**",41.8,0,"M+H-H2O","C20H34O4",-8.40367653625047,1.14520208607374,0.00574970611170955,0.027294400676293,0.113010006112374,1.08148226430343,119997.141397759,110956.180566723,110273.529056019,113529.579994341,110870.697586747,119415.986592383,120172.124382359,107097.529116693,166744.763352442,126184.747793686,102121.553772269,117992.187496687,129607.984695557,130360.654537288,138254.129357011,146760.415450196,125666.25995059,119826.835848359,127346.358241266,107403.512141619,129317.88796597,138180.170664549,122458.596175502,108960.750802401,109605.107854554,117828.714946163,114627.053141745,106173.930137188,118462.475846924,99581.6961476023,110794.461318993,137847.453645612,117726.458725878,100820.050576545,107892.008810919,113346.895691084,93775.1002542079,113930.968497729,108425.817639828,108576.098827414,100982.256633727,115592.471135502,104814.509868262,100542.085676123,105455.363216159,114586.295423109,115752.32412395,140232.481345137,92268.5788392681,100231.322781877,132617.169294854,112389.284890141,115710.871125344,95794.4937855793,103975.402007593,99627.4038673809,107116.218730247,126669.346270286,104443.09178741,109636.008504016,125794.939304642,118364.910370944,109494.827218398,116998.244080496,105073.801957196,102632.608788093,125908.308083084,120794.458682774]
["10.65_488.3349m/z",488.334919150879,10.6489,"pos","(8S,9Z,11E,14Z)-8-Hydroxyicosa-9,11,14-trienoylcarnitine","HMDB0241585",{"$nulls":5},"FFLOHEWYCWEHDQ-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acid esters","*",38.3,0,"M+Na","C27H47NO5",0.590660130566679,1.14473381974372,3.61829696525673E-4,0.00329304568067491,-0.239991867372949,0.846750085570341,47328.72677422,55894.563910603,36641.1631803329,43932.3146493516,35790.953142901,37685.6228734208,44527.5526036438,44269.4548954369,55338.8771248997,53849.5846680976,70046.8034322039,47368.2922344477,31950.2759444489,44393.9836105968,47719.2628763822,39948.2435049953,31220.913064265,45591.9482971562,37938.6206086514,56213.7130295212,46968.3887204251,55833.7067695461,45368.6662449343,56717.9567057068,49142.3731252008,46073.7757153941,53007.9706025404,46569.492540081,46894.7155057517,70536.0842554784,40338.6647077623,44088.1990647146,42420.9933177795,57028.6334117669,56430.7831214235,50835.2681698047,72076.853718063,42071.7017280103,60198.9836384671,53348.0562876797,51834.2956789292,46700.9802289255,62374.3430599649,50181.9914980955,49411.7087664162,56701.8239518662,40010.3307948948,55217.7737458343,69375.6041979064,68880.4521933835,50020.7502797892,60075.0212854885,65564.6666514849,70755.6298042523,66988.2233558361,69745.6753338016,55216.5440390694,53683.9674466975,59741.5199383524,59379.524434696,56705.2972977545,52204.2828991596,56902.736506071,47960.572232849,54402.5808286019,58606.6595572618,35691.6201381157,41655.1693623755]
["7.24_195.1021m/z",195.102051771498,7.24466666666667,"neg","(+)-Sabinone","HMDB0301817","53350","LMPR0102120049","C01868","439592",null,"PBLWMCQDAGOTPV-SCZZXKLOSA-N","Lipids and lipid-like molecules","Prenol lipids","Monoterpenoids","***",49.4,37.8,"M+FA-H","C10H14O",-4.10492147746254,1.13504633153829,0.0353116406692596,0.101050751777752,-0.757589658511273,0.59148371016362,17006.6721396514,28752.5621541578,82629.895524942,3504.59921708783,18685.6338471564,8132.51904282671,16385.7812213571,2822.02283361219,7977.50241758511,1237.53938536158,12327.4378565427,8406.99134909249,450.570078439123,19355.2667741987,75845.534974661,6927.81865222151,29426.9521466721,11579.0404173853,12537.479873001,1401.68534589243,6251.0259948089,26459.0901741592,24523.0699409772,4182.23165911381,5571.09510269448,15163.4826809101,34146.5179670511,9302.83348877493,1654.02068599013,28800.4154998052,34720.3747795088,27237.6775866571,14095.0412011197,5493.25085996443,3985.78202892438,11998.3230656025,36302.9865587778,22843.2358368042,96175.6865057584,40811.7956385148,20528.3230842002,28897.8943750252,9491.41198198914,30138.7762943622,5620.01355636688,4876.27763230565,22509.5657132982,25544.5535081965,42221.5838861276,27056.2837119374,39471.7668917894,25221.5257979783,6069.80372672146,14500.7218456151,1061.92649886175,3406.18690989364,284.169886546407,59347.7651479959,30383.3193031676,96312.0559003958,29682.8130052856,4248.95161450347,64601.403720788,74170.8670093714,11057.1672569102,11410.4208185895,29145.1949154629,23441.7794880644]
["1.56_297.0568m/z",297.056818297936,1.56393333333333,"neg","threo-hydroxyaspartic acid","HMDB0259046",{"$nulls":3},"10313218",null,"DZYHJDLBFUOKBD-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",38.5,0,"2M-H","C4H7NO5",-2.51597683403284,1.10819770573143,3.6697145254173e-09,3.49251973833287e-07,2.27669244565712,4.8456575322703,6309.12495336361,1302.0162715477,8175.52782806777,14298.9285911839,2032.97364127566,272.831099912664,7247.37331885469,3841.15512419037,8816.14264924642,9027.05714865308,5104.45150672551,2537.34669372691,10797.0426821956,14237.3673190531,2665.23063614182,7964.8504405675,2089.45413366356,5141.59789886157,5605.04575928433,2598.15199806321,3972.80082001401,9586.06755524221,6153.79508974375,3011.88700957821,3031.6000733363,2848.56937482107,3506.46786888167,3505.74151231426,4617.88098800033,8925.71497388879,3195.87268072176,11433.7698119204,15553.6340914366,3015.94650007875,13388.8466413533,518.182642494601,1334.72483499096,1894.31081411085,1622.89326710443,739.236250666656,559.839245008561,786.630484018413,1034.53858215905,840.168154309757,554.287526030977,1857.34612160634,1850.112233437,3892.83767973098,1276.69152470277,2020.62290235973,462.356033581754,1334.26109974873,841.970992111523,1009.96218150469,1737.87614559437,213.421572412039,1083.97493326338,3139.26921555066,1044.19191877967,1029.52527511079,1706.75619315263,700.528014591223,302.960263735141,1593.7098264404,1147.617981035,1697.67339779481,1376.17582017557,1761.88383376071]
["11.79_403.2835m/z",403.28348647639,11.7905833333333,"pos","MG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0/0:0)","HMDB0011587","62369",null,null,"53480995","1044598-64-2","JWPHORDRFVRZPP-PJEZTNATSA-N","Lipids and lipid-like molecules","Glycerolipids","Monoradylglycerols","***",47.5,41.5,"M+H","C25H38O4",-1.98781558590539,1.08905808106241,3.04148013574463E-3,0.0168852838869423,3.02773523397116,8.15528465390659,8272.51298414593,1014.37452341816,3507.10004916969,1268.25813406542,9327.6590326747,6574.99040987596,18235.7440550454,3183.43188843723,2.78597719902934E-10,637.136132958598,281.68975129519,4028.71263593092,4042.43890024072,12573.385673763,508.62215141235,16289.4412029677,1790.11024328563,1624.22026270613,57622.5502876687,418.939042553608,383.832770693423,2807.09659877379,9533.43844262369,4476.64977872075,1710.72379056751,4609.48252465626,1921.18098656281,5072.24828797521,6145.21825411606,6683.75731289595,11614.4306630459,6212.00058927267,56681.7832802586,12329.7009235336,896.954419068314,2.78597719902934E-10,361.211696808721,969.449840047149,1060.57596647387,636.634676348356,2.78597719902934E-10,5160.57761746647,568.809131152517,629.732659985535,434.577151331907,628.308047995382,473.778052818813,1833.81537415335,2820.87096207736,390.139478010724,2.78597719902934E-10,1480.26600976638,153.679838444172,153.648676167267,90.6262639830048,234.966233626065,143.936421257424,1415.05497310357,671.549412889219,374.571572725197,437.181649964369,2.78597719902934E-10,962.821870248519,1959.52118663604,270.61010960206,702.584174281111,4865.34257832144,3589.51764711217]
["3.60_244.0820n",227.078717627999,3.60183333333333,"pos","4-Amino-1-(6-aminopurin-9-yl)pyrimidin-2-one","HMDB0257570",{"$nulls":3},"56974816",null,"HCUAWQYISSJRST-UHFFFAOYSA-N","Organoheterocyclic compounds","Imidazopyrimidines","Purines and purine derivatives","*",42,12.4,"M+H-H2O, M+H","C9H8N8O",-0.413944808429986,1.08068340568716,2.8042577217918e-05,4.55657681526267E-4,-0.427535428674174,0.743530882736877,24119.6576118803,32439.3487505156,20657.6670983579,21117.8233613862,17683.4310805025,23164.7692473865,24007.1338499097,34505.5121238341,14954.9841081827,13228.5949799407,22595.4235832815,22695.4143309655,23392.0305470283,15258.6855540107,13880.8327259638,40876.2888477832,22245.1708000793,17777.554843335,34474.9657703699,21330.447240818,23650.8543922249,36346.9252441057,19086.4743385509,28861.9154246904,39792.567703961,27201.899132833,24643.1509733338,21708.1817332722,24892.7246276322,30839.6486344874,20307.9542855913,25453.246244997,35990.9568758506,15713.0202489264,17612.4512384563,39684.428877402,43716.8616406611,33419.1547365607,56373.5279451282,27420.9286721998,24307.4310066114,28883.7631333673,37777.6489525787,40951.5821823535,35829.571038873,23275.0252882436,22416.2301473229,30100.08206451,30836.7348769149,21127.4569841624,22837.7314339515,27278.5601605081,32432.6053896532,32682.9689851726,29341.2904735273,32230.6066169941,19698.1113585689,39077.16232539,40848.6730903332,31974.1760122982,36760.0117239944,38529.5292300393,31217.1930828881,28094.5141657094,37641.2334345495,29038.8880671245,33351.9316090845,31342.8940603386]
["0.69_102.0317n",120.06551117778,0.694966666666667,"pos","Succinic acid semialdehyde","HMDB0001259","6114","LMFA06000118","C00232","1112","692-29-5","UIUJIQZEACWQSV-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty acids and conjugates","*",45.2,29.3,"M+NH4, M+Na","C4H6O3",-0.0823598951686366,1.06713042422221,1.77670290953196E-5,0.000330625552606198,0.454026259699351,1.36985791366851,17190.7043288091,12549.2608812048,26520.2435925394,18866.3160675006,20428.6244936708,14002.484795703,25718.0781442035,15305.2000003307,21133.9811656873,6991.8369374533,14780.0329610068,20556.5860892759,11099.1293325559,17208.0479558877,10156.8017554362,28211.7829005331,12458.9502043372,12233.3924660145,15664.2423952174,14750.1273842872,16863.7895782856,16176.7060728929,15292.2329107891,15780.5717115695,25833.2038650605,25637.2800346905,19900.9669557624,13665.8108698084,17934.2694717845,13942.5701020713,12928.7301484972,20792.0016074898,24300.7945124531,12867.0153244227,9291.44104348252,14695.7391999374,15293.1876790176,13318.3124936017,12901.2570664712,15412.5187119188,13836.3547059211,10742.1957019975,11998.4485465288,11529.8341899967,12873.8311524761,11401.5451511677,8989.13688811497,9582.94184593401,12376.8416056553,12371.2136236001,12502.2377565049,10997.2909050176,13033.2485103338,12203.6033224176,10476.4317016335,12792.1290943165,9593.3792907794,13865.1602142101,12396.067778784,12150.6817643093,15095.5691791586,16751.2166697365,16400.8651390616,11021.0542936133,14376.8308125201,12723.4946639931,10163.3824270068,10259.6069940236]
["0.78_159.0274m/z",159.027412375207,0.779383333333333,"pos","Erythronic acid","HMDB0000613","5586",null,null,"2781043","13752-84-6","JPIJQSOTBSSVTP-PWNYCUMCSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","**",56.6,0,"M+Na","C4H8O5",7.48575423845955,1.0652394450364,0.0279634142069302,0.086486659910199,0.385711508214997,1.30650396974124,64851.9488092969,49637.774022333,60449.7567932224,67812.3450309609,24224.6528862112,63230.7691158897,46103.3431511058,58198.6358781295,23645.8082627337,23439.7752538768,100168.764051724,41733.2204712033,58398.1718733074,24873.7532699593,178081.59512329,53506.6479261354,36936.1368755994,50167.1731600244,75300.9712225644,83622.266462109,105408.14150526,170472.280482988,41773.1592892298,30743.5461242051,66594.3266939602,65344.2377358294,112981.262325923,68441.2131332041,66725.4433708457,71748.2710735031,40242.602351889,53427.13745661,76666.7908814612,76533.6741522526,23118.4373215883,67941.8699210821,51893.5468199629,34960.6981025743,49382.0156616751,50015.9469466366,34359.4454883271,30425.3562750236,39148.9561461575,53737.1238585373,69352.1336238508,63059.5500995786,60866.180350004,47174.2864746505,56295.2917277462,54574.6880717857,37705.2878792995,31489.1060217536,34488.7172428284,64482.6852304479,26563.7515017908,53653.0877116379,42362.6551210554,35757.1921522494,58671.6125528716,45461.9095095582,69806.3195094894,67654.3266516084,46460.2345485405,64869.5726503446,62878.4956244884,55594.6951065284,44505.1122920077,32454.6918628981]
["14.57_605.4062m/z",605.406245990295,14.5664166666667,"neg","3-O-beta-D-glucosyl-brassicasterol","HMDB0304143",{"$nulls":3},"75967394",null,"ILUZPRRJJSFYEH-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Steroidal glycosides","*",40.5,6.4,"M+FA-H","C34H56O6",0.630981732743932,1.06445008175897,0.00250680069879938,0.0144466317088248,-1.52353364624343,0.347832912368694,5521.53253808524,15874.0945486854,1249.04889493919,3562.03590272368,16466.3030501216,27240.0243560307,5999.96582790908,10235.7671640002,3608.34491943199,3079.38003069954,10886.2148389323,1058.14119550496,9777.5615495807,8063.90310279776,5661.15564097934,2991.30808460545,460.403391599305,5787.00770336343,3807.00602835348,1551.93408043036,1374.07984207999,5793.72233484699,6903.10260334466,3411.4042427439,3557.91852081869,4680.2985966289,3859.48519361536,9414.1545800915,4262.72438689386,1373.65757492964,7216.43004827593,201.7062169734,5401.61121684514,1774.75569089702,1500.01694582498,5002.29901128196,27551.1245520407,6952.53320231967,39880.4750476638,8560.2125508191,3656.16028632382,21132.853136508,6929.31627584856,16178.4828092129,22081.6005290896,5483.56374656538,2195.24587250617,93035.0496729582,6627.75439545705,3966.4498279891,9907.28641320244,27558.1712473377,5258.25769520112,12944.3080525608,18105.9262306322,5684.99421437691,12688.1476023175,2308.50753066886,16982.3098584953,4713.89998326563,22928.4134159379,9637.02947121455,12921.2745267869,3280.39985136171,13124.9751940141,9450.82454265067,9619.50783004372,57497.7655299658]
["10.70_319.2239m/z",319.223868921652,10.7042833333333,"pos","12-Hydroxy-8,10-octadecadienoic acid","HMDB0029998","86652",null,null,"131750940","170171-31-0","XTLVZNQEJRQDTP-KDFHGORWSA-N","Lipids and lipid-like molecules","Fatty Acyls","Lineolic acids and derivatives","**",58.3,9.16,"M+Na","C18H32O3",-1.67651703890661,1.05671790972023,0.0294839896720108,0.0898546839867044,0.123713664927507,1.08953584801461,92365.3832813998,84774.9832643976,83937.7273478524,79317.0050156971,76158.1417038003,81009.5853392586,102519.777663598,92271.4757338085,128016.457051659,101942.864598527,68601.1512527801,91277.2578978035,117581.068137818,107122.870082734,116036.738577317,115497.334075893,90282.9965748375,107210.992579515,94303.6278455569,70993.7117977894,86661.8992775786,113218.487357747,87077.975707017,74714.8278750117,81023.7255373341,100690.489493756,94922.2473026972,85778.5482787389,85513.2289911122,75462.8660340363,84143.9649835183,111659.773603481,89674.9910787914,78581.6645965019,74852.1748926257,89099.3526609439,82894.6943282056,74673.5858660525,84690.2393878129,69097.8264801802,69522.6675953006,89407.0315836757,72556.7472496706,72482.626353358,81223.4309345605,79470.8607737015,80157.7446993863,104133.53345714,58957.5671845586,74072.3036925997,106492.365806717,91857.2146547498,87332.7517438737,73838.2767309514,85630.6006206524,101220.15987543,84690.0403714708,98894.501610332,82379.7822289079,79694.2050924241,89286.1381421157,115958.280160879,78326.0372922712,85026.8069613915,80447.2824975562,83987.1730643601,88623.1557618123,101449.46286208]
["8.48_493.2041m/z",493.204115671335,8.47505,"neg","Diflorasone diacetate","HMDB0251258",{"$nulls":3},"3056",null,"BOBLHFUVNSFZPJ-UHFFFAOYSA-N","Lipids and lipid-like molecules","Steroids and steroid derivatives","Pregnane steroids","*",46.6,44.7,"M-H","C26H32F2O7",-0.440499213656348,1.05537107800382,0.000639951492903199,0.00501571393614248,6.03189050413764,65.4304598114421,6747.96023533109,103.131786858558,213.171540663714,172.20799353917,70.8898070152764,391.345403785096,11193.1282638252,58.018330234771,27934.5652138298,48.3403183009432,11795.0918658784,157.164387760084,12155.4220131685,31843.8500526475,18446.6886198076,13080.3808217866,24322.44318863,8445.57733989825,576.375982765082,148.040450559216,20.9512625098144,11126.2492966269,38975.6015445275,103.307844056527,16.7488442550878,9668.67096677658,16.1625964532031,215.700612128239,6.15701154224917,138.037525715608,394.504451409181,68.2427179662303,181.435564005739,419.09376627762,279.122167580167,60.8851831461049,30.3140812463345,5.70924082623781,369.787256364871,32.6384485168318,215.748229506823,2.70628783319919,187.142575629462,33.5036046870017,31.100471490597,143.049430358531,283.950645603142,40.4897738156866,64.1609941637646,724.765747222019,31.7507457471327,2.78597719902934E-10,2.78597719902934E-10,39.2478888470023,2.78597719902934E-10,65.1746861393576,83.3788006418365,10.7889212708226,1.7964795101259,160.946125619594,1.03146587815893,2.78597719902934E-10,349.148375515106,130.630753687352,2.78597719902934E-10,190.361860885764,35.6015919483749,77.5393002297865]
["14.99_579.5003m/z",579.500271256796,14.9933833333333,"neg","Reticulatamol","HMDB0041023","95457",null,null,"85355815",null,"IWBHCLOBTQKEFG-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty alcohols","*",38.6,0,"M+FA-H","C35H66O3",1.63219746303757,1.05400941642418,0.000407602480010191,0.00359186206590991,-0.707430220193984,0.61241001443142,10169.0045522031,16604.8959235984,16245.529912042,23041.0397776323,10167.2002849647,17928.4499772859,10249.8468352499,22458.2260892334,3776.43629243834,11620.7823088104,3899.1462804049,1521.61762681806,8995.92700726878,11464.692479941,15376.0287497236,8021.68358300076,7110.70681843046,13141.2661648651,10098.7605799923,26174.2816461253,11994.736679976,7951.31969022962,12890.8722440162,4920.63012391393,3238.81993001728,8934.20632295265,5319.59993511136,4398.50495049393,8227.8115660834,2428.75139049335,3234.05808399103,4357.08052499654,4046.84874911167,8661.65405033884,23680.6335667497,19198.837735903,14111.2795773271,24867.1775803108,3380.00172573367,29076.5524640527,25376.3575017861,7088.73566284844,14530.5874398227,21871.4729567505,8458.10667337482,14314.718717728,13383.1309656276,9901.68333034881,19960.8138090484,34205.7639734549,21656.4637496528,8434.02317093797,5571.03761709391,16433.0498911172,13136.0180976884,13573.2126390501,22674.6684554723,19194.4065432975,10737.0304253951,17671.7287630247,6246.20608195775,17745.6615618825,17218.7762641175,22323.3324258252,10112.3231829018,24314.9189438628,13649.315307018,27544.172244334]
["11.13_559.3740m/z",559.374032821299,11.1335666666667,"pos","LysoPA(a-25:0/0:0)","HMDB0114762",{"$nulls":3},"131821854",null,"SNRYVUFKJWZTSR-UHFFFAOYSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphates","*",36.6,0,"M+Na","C28H57O7P",1.15839802895613,1.05337202988113,2.76969631920812e-05,0.000455268113793899,-0.24534483480182,0.843614130308411,37401.3717850966,44334.6909936457,31218.8679804866,33611.4290811751,35464.7236547359,36007.8754809617,41061.0889723636,39905.2966735037,40614.2873625635,34733.8069271612,55365.1907137073,35786.2416305979,27176.1043910752,39279.1951128498,37126.8817377475,34620.743196139,29952.777719927,34240.9974285093,33581.4022553304,43284.7198169524,36967.3232283418,40727.5077036731,32475.5818626691,40717.2357096785,41680.4067977509,30735.6621753448,37684.7625314813,42008.7198536634,33440.8328231117,52512.0261011718,29086.9737505902,38391.4686173311,36856.828721982,39571.9400949891,38356.3688006213,41970.910853754,50266.0966952993,37522.266746041,54180.8171926827,42099.3139919314,44804.6573914758,37920.0923784738,52458.7002846101,42759.3850924732,37713.6658605808,45691.5041979441,31475.8197414831,44365.2232771231,51775.5369278935,50938.7846375055,47215.2068915481,44095.3471534867,49864.9121635693,51523.0069150466,52134.2286730369,50348.7907033509,50072.8734552099,47300.1815196605,42108.3295119767,46105.2895375599,39354.5107020567,42638.2372997323,46246.1839528859,40557.5951066712,48599.8713952296,40695.4254038461,29725.5268588564,28516.5102773146]
["11.47_623.2874n",646.276632877797,11.4705166666667,"pos","Leukotriene C5","HMDB0012993",{"$nulls":3},"53481570","75207-09-9","OSBTVMNXIHRFGN-KERZFGRDSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","*",40.5,7.13,"M+H, M+Na","C30H45N3O9S",-0.383187109379355,1.05139071250244,0.0487065954191742,0.127448286992356,-0.174431360272018,0.886116714090483,96568.8570403161,108979.839229683,104235.519965801,78503.3144235406,124664.775642201,109509.75947267,81820.9564959038,127399.832968203,29433.3148202014,26301.7473932522,70265.6000047703,91645.9979671153,88343.93571187,68406.4211892429,58051.8288346633,106694.270164151,100882.94258179,108945.61197099,144357.919581818,104763.871429571,139666.122416279,68732.2390150774,94885.2285407102,109146.298907334,90234.334355166,156247.179914074,132840.219065858,101644.651350809,133017.389561773,91131.6934061976,107809.610373951,69993.6542567936,143368.819241459,64259.3673053374,59567.8540018574,109816.749893479,92529.4754072314,137013.748241343,94070.695845894,128020.141422797,102298.622154302,110438.781922112,100569.318153827,124788.271096437,122767.511678425,93097.0491914567,103529.277716496,77038.0595179684,101620.600203491,90399.2583698995,106666.769043547,138725.892747043,94846.5036710535,90477.2582684851,101238.629178255,130085.812193046,131154.703282731,86691.1373331006,104308.521521416,95854.0838861209,120242.637435269,105401.494128112,107740.810086484,109676.5758704,118721.356093286,107307.201020153,129634.042994245,129563.705011645]
["1.36_276.0176m/z",276.017595364148,1.35588333333333,"neg","2,5-Dioxopyrrolidin-1-yl 2-(acetylthio)acetate","HMDB0247382",{"$nulls":5},"FLCQLSRLQIPNLM-UHFFFAOYSA-N","Organoheterocyclic compounds","Pyrrolidines","Pyrrolidones","*",49.2,52.1,"M+FA-H","C8H9NO5S",-3.25035328640852,1.04524719641895,0.00783216840069115,0.0341925988764118,0.275883490176984,1.21073530288941,47483.425276227,39218.6675014005,63938.536190414,62733.3420562722,47896.5218886658,24510.7890214799,41323.3032295214,39267.0195112731,28188.8427363498,31041.1816463447,51366.7942859075,35362.4858642834,45539.5706542348,54393.628235418,36767.0976912284,48313.7929478142,57943.175730316,37253.5116011714,43714.0441983936,53305.9236844325,64896.2968682621,43474.8455821201,31965.9662965969,40479.6888132231,53996.0736889387,48201.7132740471,41290.2018988962,54349.6680627126,53306.6075157816,73178.4701380234,54510.5078024367,24822.6677988894,104152.819491928,38995.7850985216,36472.1606115937,35572.5490998984,38579.5703529485,35373.6357621741,48058.1841694581,36858.8337133727,31121.1365825456,32342.5080568633,36492.4740758447,50210.5902982934,41229.4712494578,31203.629885343,35980.2126683461,27695.1390942448,63256.6463215257,38185.0338991087,29874.282798882,30596.4503639461,38332.4432734741,40359.499929272,43559.2536014976,45979.4510163136,28728.7731199466,46977.0245116357,45420.3883578589,32766.3337755533,38952.7031456328,45739.4733077335,47258.3392096461,34973.737150213,36787.484006982,45517.1603209911,38704.8331592199,41528.7812679921]
["7.74_499.2919m/z",499.291857639197,7.73563333333333,"neg","1-(4-O-beta-D-glucopyranosyl-3-methoxyphenyl)-3,5-dihydroxydecane","HMDB0303085",{"$nulls":5},"VFLYULAVOFVIAM-RRDRPCBCSA-N","Organic oxygen compounds","Organooxygen compounds","Carbohydrates and carbohydrate conjugates","*",42.3,19.4,"M+FA-H","C25H42O7",1.32312244658048,1.0349385267915,0.000594455015298396,0.00475445818911536,-1.08196986075559,0.472383388924915,5453.65168298838,11544.9692153659,18389.0155379408,27058.9800935233,14449.63388467,11496.8024966647,1208.02714207527,4761.90544054495,1269.29989615735,10518.0465837129,11870.5597508323,2255.14923302653,6958.59324932188,3710.94698265272,521.745604011406,2870.05931203762,1375.831488873,2113.3497711052,4418.87799832038,4305.0826602123,3393.40797132736,6685.15270570585,3078.72457096963,4377.91175185471,2752.85760378509,3189.74907302772,2530.8848971954,2140.12397139527,2626.45119014291,1231.89406001671,9947.96583033833,591.465286188112,1672.32042671855,295.21113831557,5904.47793595273,5799.47625901373,11769.582040022,5629.93780311318,10479.7657489742,9064.61757726134,9126.72698074311,16099.4059855167,13297.5336875727,37197.2592554044,11160.6346807927,3540.52688088953,3444.95431343114,11305.084427291,4598.42194380709,10183.6486680726,7420.78651295388,20570.6822119759,31237.5061837035,6331.79895227405,11599.2114231636,7232.61396566789,5503.25145802442,16315.8381739746,18482.5051652366,20145.4450291176,9349.55867312899,13912.7293686004,2955.77409982817,1900.48862778728,11280.7621919841,17891.9571629876,10896.034252869,5259.4644018927]
["2.72_187.0937m/z",187.093742864127,2.71715,"pos","2,6-diamino-4-hydroxy-5-formamidopyrimidine","HMDB0304046",{"$nulls":5},"BKXIMINDJGDBPF-UHFFFAOYSA-N","Organic nitrogen compounds","Organonitrogen compounds","N-arylamides","*",39.9,0.89,"M+NH4","C5H7N5O2",-0.338066314733591,1.03236038273968,0.00102951216266331,7.29639364644995E-3,0.27732574230657,1.21194627169093,44979.5730252569,37113.5041840598,44900.2091049089,40112.7354637912,35680.4922080086,26937.2641223518,43744.9130412526,43263.1066117097,46079.2827573593,56868.7203535727,50621.181747182,56861.8889691386,50145.2145604801,58678.183688257,46685.3701128776,53984.9733967854,55165.2505763794,45250.0441329579,59987.159599039,40838.2693881537,30574.6031814408,38279.1028656506,42524.3578399049,41942.1161476022,40683.6741838767,62265.5134186355,39727.4765318277,24996.2239683715,57290.2228619589,29881.655053228,34958.4607041957,58481.8899612206,45268.6287056515,47880.5124750166,33767.2121006919,28885.6890728227,38457.4688819855,31500.6925463465,34152.3339706433,34283.9496262281,29561.4791012144,34884.8571269984,33416.3144456556,28742.0208777831,39933.5729622967,41108.7917966551,35407.3948292316,25573.0505256032,40361.1270806213,24954.300983642,39343.0787600075,48677.4923310269,35617.9738673006,30443.2705555672,29883.2779551329,46364.4482983395,55667.6753578046,46218.418717502,32863.5822188369,53253.160392599,48515.7427573754,30999.7980020245,43415.4975922202,52902.289399749,41915.1816033498,25435.4494177884,28532.2517344099,33474.005285212]
["12.76_450.2992m/z",450.299235846747,12.76105,"pos","N-Linoleoyl Phenylalanine","HMDB0241982",{"$nulls":3},"146158338",null,"HKUGGWURERXWKM-UHFFFAOYSA-N","Organic acids and derivatives","Carboxylic acids and derivatives","Amino acids, peptides, and analogues","***",64.1,58.1,"M+Na","C27H41NO3",3.20842654489084,1.03209858384594,0.00055160120129117,0.00462817028085866,0.693543907965357,1.61725133982548,20785.7911419554,12852.5422302006,14409.4409486969,20359.670065202,6016.20496110787,8637.54503251726,10060.4838700662,19323.3831354911,37036.9459045471,10790.4253433404,25090.6902223939,20114.2572077719,4635.69886651967,21342.6567860632,31396.348811453,18741.6313138863,22431.5857779396,20054.4728477174,8345.10421335144,30665.2600209395,34400.1520411862,26440.7680137462,7559.56831579661,25541.9491105432,13022.2252869216,30499.7938632931,14532.3195824792,25023.1680652011,16121.1583216591,42633.4296222725,19528.2463723707,42365.8830116133,11290.5865354308,16321.4831210395,31198.5710919697,19219.3800836229,10291.7481245324,12769.4401814162,24113.3507595853,13298.3388302946,2842.86538961667,11618.6198712736,3716.85577147795,5349.14631161689,7325.86238546807,15309.0936387945,31290.0844334192,20047.341936483,15552.4989098622,12282.4935597298,15304.0730169143,14484.4453487303,10461.4862013246,17695.993959458,13295.6083849757,7484.55837108928,6849.55365531331,8373.12494068594,35868.0992889254,4998.89572195461,9946.86234126203,12975.5566339889,5528.85059957352,8407.38920557767,8481.73879111757,14764.2790183521,11480.1466293311,12706.1113008507]
["6.15_376.2253n",421.223476724404,6.1521,"neg","Macrophorin C","HMDB0030455",{"$nulls":3},"131751019",null,"ZJIGIRXWBMNWPJ-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","*",55.3,79.3,"M-H, M+FA-H","C22H32O5",0.796678543209564,1.03029147391463,0.00201447504747118,0.0122014421958727,44.3686703257676,22714366859082.8,6328.17081597923,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2213.14716154295,20008.5798444933,40857.2892166336,2.78597719902934E-10,3576.15276352964,2.78597719902934E-10,19755.6973758185,2.78597719902934E-10,2.78597719902934E-10,15194.8196052014,2.78597719902934E-10,7921.63560724986,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,123.373091574091,9013.53698950261,44088.4075875807,194.254333476072,2.78597719902934E-10,9294.02295019881,2.78597719902934E-10,6146.89248705673,2.78597719902934E-10,4825.72144625246,21190.9951047062,1232.69008181691,1135.63328508414,2026.14905495046,30.6389406421819,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10]
["10.26_200.2006m/z",200.200589497271,10.2629166666667,"pos","Dodecanamide","HMDB0251566","36671","LMFA08010001","C13831","14256",null,"ILRSCQWREDREME-UHFFFAOYSA-N","Lipids and lipid-like molecules","Fatty Acyls","Fatty amides","**",47.3,15.7,"M+H","C12H25NO",-1.51290411449871,1.02928933396928,0.0205019382537553,0.0694729972769672,0.316117092083102,1.24497527602398,34453.3088181843,27673.8899813466,28771.7816885536,31635.6348457697,32271.6181132279,28848.2171872418,31423.4387497516,14217.4884042634,34796.0278765638,33400.6936130075,26343.2326380327,44868.4944960414,22301.9193177678,77027.5017499878,45215.6998863707,33661.4262511804,36046.323789557,23520.1899858016,39530.3244345659,13499.267701669,44809.4299013689,14305.8243819369,40782.4125416196,34118.0963529286,14924.7014854322,49254.6982087083,19390.919549361,45847.4575703346,59500.3123738276,23551.2761266351,42880.7173144621,57647.8831198393,40464.5093341526,29586.3935066992,22515.2785034225,18865.251399929,26575.3579270249,20633.7069846603,25272.9731821236,19707.9530157875,20655.4488399776,31796.9079066319,29144.294105119,32533.6605598997,41653.7768970785,44036.7238989086,24396.1854192525,30519.0482518979,10912.2948107676,20537.65216148,28154.7504600918,49667.8164565288,26851.8463874111,29824.9012501053,25605.723090004,27816.2697015512,34440.7414493297,26914.8365278939,24515.4413538799,39434.8221377659,16347.1858257398,26950.1192842918,22733.4038629641,35242.611055011,25473.7539311228,22156.1931674353,35760.4766001468,18106.2414826261]
["9.55_583.2543m/z",583.254330055581,9.54726666666667,"pos","21H-Biline-8,12-dipropanoicacid, 3,18-diethenyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-","HMDB0245624",{"$nulls":5},"RCNSAJSGRJSBKK-UHFFFAOYSA-N","Organoheterocyclic compounds","Tetrapyrroles and derivatives","Bilirubins","***",59,71.7,"M+H","C33H34N4O6",-1.34170247166827,1.02805665557046,0.0164916395728476,0.0593235976427165,0.514747841464158,1.42874439771552,26903.6536643521,18830.2776251438,18139.7243131446,22805.3578982346,15458.2901392513,13895.3376109726,14028.974670235,33970.8637600956,4628.55784688394,4571.60860502163,18107.4749697322,5622.95819180809,36442.4303204056,22281.6775465134,24635.1181689699,63863.9012808846,58029.6694003818,72690.4073965173,22338.0651077479,20755.5199277446,17721.1785307682,25889.2783894224,26402.6479437451,27732.3655645892,25064.0322143052,20048.3217127426,16282.7331813154,29474.9968792076,51192.2640116782,32886.2563182525,7882.69106884617,33119.9516451783,14213.663198159,36457.3813036324,51186.8718072323,15479.9238004617,10732.3331392968,20349.3693169348,11480.2480131102,18487.3322398846,13948.1550866945,26795.657645271,12199.529359635,20397.6057708632,10484.6135941738,24566.2695354076,25104.471702345,11314.5537205627,26191.5525152407,14141.5579595276,12631.4909779584,19198.9820393122,22888.2654454858,19425.9329713008,30056.1813863227,12789.7331186504,11285.3769427069,15970.5343541441,14195.8602518436,21277.8667261489,15984.6207043439,32035.3014797412,11334.5918680533,25669.2724132317,39250.5525795717,43447.9752116314,6411.20117909441,5872.2485807943]
["5.99_402.1818m/z",402.1818157233,5.98826666666667,"pos","3-Quinolinecarboxylic acid, 7-((3R)-3-(1-aminocyclopropyl)-1-pyrrolidinyl)-1-((1R,2S)-2-fluorocyclopropyl)-1,4-dihydro-8-methoxy-4-oxo-","HMDB0251648",{"$nulls":3},"91292930",null,"ZLICIITZJTYKAQ-UHFFFAOYSA-N","Organoheterocyclic compounds","Quinolines and derivatives","Quinoline carboxylic acids","*",47.3,42.7,"M+H","C21H24FN3O4",-1.35898524302937,1.02292513765482,0.015768194212835,0.0573212593811621,9.01312690264218,516.679882833319,8165.9186552422,15.8045995722975,223.455559027791,11.7323720477868,2.78597719902934E-10,96581.4491156892,2.78597719902934E-10,15360.5552550242,28457.1765751289,13.8784804744096,12255.2856890137,2.78597719902934E-10,2.78597719902934E-10,30785.3288234949,2.78597719902934E-10,2.78597719902934E-10,214.604551500748,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,15.4191114800965,312.028937709083,2.78597719902934E-10,20.4617207046172,22542.0042124226,39.935792617635,27570.5687293834,2.78597719902934E-10,6371.02564409809,17.5881172284598,28665.7727279439,17.0442079990785,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,153.820494267837,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,13.1823910961059,2.78597719902934E-10,286.961312433701,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,67.5875880800943,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10]
["6.08_190.0861m/z",190.086074203766,6.08301666666667,"pos","Indole-3-propionic acid","HMDB0002302","6602",null,null,"3744","830-96-6","GOLXRNDWAUTYKT-UHFFFAOYSA-N","Organoheterocyclic compounds","Indoles and derivatives","Indolyl carboxylic acids and derivatives","***",65.6,96,"M+H","C11H11NO2",-0.956345995883383,1.01780407712535,0.0115352784786192,0.0453113356276892,-2.14417230128889,0.226224596069247,3742.43702591129,16543.015617832,1348.88036623716,302.559844795415,164.150165258543,5263.72791151363,5837.09789384423,226.525819038414,194.108626880476,14702.1593889426,249.931599266666,13523.1349216573,2935.6760704308,171.004966526747,15584.5049736447,21581.3128958775,331.999340426927,401.552533318129,2746.78098216403,12725.5358785689,3420.72371376032,1908.42699350665,168.372988159121,125.696506133164,1776.17723339102,3522.56697641975,2995.52144206435,1187.71833699912,2308.04630089474,1701.05986932823,284.381293086629,250.44428248639,318.268653388808,4554.28302994968,688.090057112366,3047.215835505,22882.5646254857,3287.38264995351,12351.1077541518,5092.82185665347,4979.71694404311,25515.0647584817,12474.8705509106,2805.81227287767,997.315703976001,39379.9495029138,1989.55155239679,21462.4183224262,1715.76042014563,15362.1619063255,34324.8296376023,2965.91036154205,8056.56367873192,7286.91510098626,6065.53337485691,11081.7177927158,20450.4595224557,10838.7785063845,23903.8936017038,5892.01921944879,39334.664172559,158205.762327518,1657.37533171177,11636.5591162969,20860.2247161938,447.277589012616,780.177622491062,8787.13905999766]
["5.95_428.0899m/z",428.089865352195,5.94841666666667,"neg","Pigment A aglycone","HMDB0029250",{"$nulls":5},"PDRWPABNSNPHHW-UHFFFAOYSA-O","Phenylpropanoids and polyketides","Flavonoids","Flavonoid glycosides","*",38.2,0,"M-H2O-H","C25H19O8+",-0.639875868984304,1.01532563677957,0.0265498122572728,0.0835306988829601,4.62550019659393,24.6839298849442,8800.3537603013,356.521583123966,2.78597719902934E-10,2.78597719902934E-10,5266.07003600725,52944.05059076,1002.15249409553,2.78597719902934E-10,26008.6021212683,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,234.193311347297,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,8651.81203504073,2.78597719902934E-10,26850.2712940617,2.78597719902934E-10,770.473232058073,6413.19440495843,35748.5845034359,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,106081.971926983,12352.1858755836,53.5992474979634,8034.51301683998,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,129.531020568901,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,7035.66437079564,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10,4547.35773199804,2.78597719902934E-10,52.6591197202304,2.78597719902934E-10,2.78597719902934E-10,2.78597719902934E-10]
["9.23_335.2188m/z",335.218792782552,9.23148333333333,"pos","15d PGD2","HMDB0060046",{"$nulls":3},"131769805",null,"QUGBPWLPAUHDTI-GYLTVPKHSA-N","Lipids and lipid-like molecules","Fatty Acyls","Eicosanoids","**",56.2,0,"M+H","C20H30O4",-8.6563885540323,1.00888980183079,3.80446069181818E-3,0.0200659670577747,0.108397293693601,1.07802997530333,120615.178167757,111884.809264064,118346.933756543,115987.610388423,130964.070298134,129206.424082365,115713.540981452,111833.0843282,150624.011989055,117140.104109039,99641.9966489148,119582.970123405,132835.021173628,128565.407216461,122512.863807224,137879.923592231,119430.714323629,110178.685063928,126880.280645652,131869.322358673,137048.63187563,125311.750684512,117919.894938195,120593.573013617,117921.917824869,115915.097721888,114799.961383655,103558.142811528,120080.795104441,98654.8291498959,116481.236210478,130248.250179719,130274.027245267,101538.787947707,110761.018557629,108353.44886926,94911.0168273539,126331.51932865,101059.468749207,113142.922325359,101113.153877329,120405.167553349,101033.719733154,106017.587676132,107312.985994301,114215.23164452,127677.381789111,130850.329722951,101384.77033555,100585.749260135,128247.443808495,118852.648954151,107962.379483693,96020.9165301303,107711.402941525,103542.448505157,110687.054265421,123735.51462268,102780.148429343,99373.4306171806,115576.431554371,111375.020652684,108226.195595845,114167.4202674,107328.79966131,102528.674543612,145792.367258325,133895.954336436]
["11.65_594.3779m/z",594.377878562772,11.6497833333333,"neg","LysoPC(20:1(11Z)/0:0)","HMDB0010391","61701","LMGP01050131","C04230","52924051",null,"YYSFWGQAKJTHRE-MEOKJUQFSA-N","Lipids and lipid-like molecules","Glycerophospholipids","Glycerophosphocholines","***",62.7,92.6,"M+FA-H","C28H56NO7P",0.429439318456321,1.00703538486626,0.00305489408659839,0.0169315344466876,-0.375846964789973,0.770652851736435,19702.9375184337,25566.5537005917,20030.2828149883,16064.6930335306,22260.2816367932,20864.1444725327,13464.7287991036,21644.2622295361,8952.52471280115,5892.45769268176,21552.4692694197,16649.8730876334,12625.4743565179,7426.05469896939,12487.4477514363,18354.4079225527,43730.322832074,14401.4669847455,24246.1272180738,24698.6874074277,26801.8976294832,9686.68750259596,19515.0240056146,25492.3549238492,13243.2196787318,39069.5769790326,32314.9921590659,20533.7366423334,21951.1563375309,19259.0811760661,24287.9116379677,16571.1678517147,18166.4011639731,15896.254663824,22061.7688357123,34530.0623512241,27427.0515917576,34996.5731119533,17774.4550116128,33172.5095899716,37008.7640751313,18051.2472249447,30896.8094352309,27647.2522207226,31332.3549587599,17465.98533276,26339.4152922173,12667.8533267178,26482.2088254684,20134.5495006144,16937.5536875513,37186.9738394403,24345.4804258308,29878.9259337529,20998.9647266861,24495.3221787738,21962.2512363683,19466.2654307036,26728.5362634696,26384.4174089794,42497.5435678764,19065.3870481968,23264.7141422861,21837.103901058,35956.9518451642,20594.7127378511,15193.3099358328,20974.7659606193]
["14.78_529.4265m/z",529.426495990654,14.77645,"neg","Octahydrohyperforin","HMDB0255901",{"$nulls":5},"RCAWJUYLDQRENX-UHFFFAOYSA-N","Organic oxygen compounds","Organooxygen compounds","Carbonyl compounds","*",38.7,0,"M-H","C34H58O4",0.494094638630031,1.00415244061658,6.92912194492159e-05,0.00092694398387686,-0.902700400098254,0.534884610199748,7439.58960985333,13908.7748422507,14452.3988834759,20485.6518660994,8851.02890423773,6527.81973702723,3701.09716474374,17080.9299324515,1722.08425884689,7462.52745066516,5812.00431503258,4936.81846886607,7879.52320163764,12095.7167026267,5989.75008761448,8817.26446379966,2020.84024366744,15115.8677214019,6873.7606495137,11133.4918130189,7466.30747519188,11238.4013391149,10366.6690317843,4000.79295803942,4747.85500813845,4251.8047636976,6724.45234149519,5975.50128614003,5073.60892947532,4679.25287724643,2527.62010376135,1151.23820823834,4748.70970520968,2586.05750650837,9009.60972639203,23072.8756989798,4699.56509735707,24094.0451327865,5234.54453165459,21161.8983101936,11681.5500474707,11037.7701558594,8822.79878573339,26873.5873900173,4737.56832585842,23967.6269773349,6141.170859062,5798.7987108427,19334.4255374218,13517.5312698833,13526.2171942997,9501.43912439972,5905.2765743424,10636.2202197263,15838.1544625577,29891.646371349,30237.621486121,15646.9733690959,9720.09094917931,7441.34267244774,7115.23333267394,8865.25263516283,12421.7350073759,13015.0034592243,9227.86478680128,15825.8871144892,13441.5998625881,20556.2543419833]
["8.04_291.1708m/z",291.170772775091,8.04488333333333,"pos","Norgalanthamine","HMDB0255738",{"$nulls":3},"11357792",null,"AIXQQSTVOSFSMO-UHFFFAOYSA-N","Alkaloids and derivatives","Amaryllidaceae alkaloids","Galanthamine-type amaryllidaceae alkaloids","*",36.7,0,"M+NH4","C16H19NO3",1.66133889688092,1.00060929323867,0.000225661768668422,0.00228473967001372,2.80023709608516,6.96554914795187,7137.63340480633,1024.7050524229,1157.86869347239,1180.11117765497,1205.20639837177,1596.16271974245,16380.5212498774,1036.23203024887,31871.0959102059,944.60092203637,9611.93587870305,1322.37444599141,28424.6375594523,13890.9721540992,13141.6278598444,11504.0013370995,15293.367789993,10381.2926630215,4554.73133713161,1211.01749825896,1535.59763564909,10189.555729306,27361.2915253146,1106.05976651272,2603.85993488,18194.6596232159,952.44431522831,828.003347473993,987.238012919261,1002.31517546632,1258.60386130003,1185.54512450297,1154.02841780408,1143.18408805948,1331.75817577119,895.02019257902,872.193025338494,1148.75177360956,780.276627504051,1151.77720981575,885.976307154995,1307.0536043262,823.161371197151,1048.49665526767,797.799754704261,1019.77414266841,1180.40136987756,1019.17956078324,1020.45820853657,1078.51444721983,993.372692596182,1046.90227027521,1006.2702735126,1052.75269479852,1087.49378674601,1074.13979414146,916.187099533681,920.489300213481,875.970455179259,942.553592230624,1115.08961010324,881.047267827767,1048.88069384136,1074.7261524732,946.200320156408,1025.87687480733,1469.78311841063,1308.69648252608]