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["ID","m/z","RT(min)","Ion mode","metabolites","ppm","adducts","database","VIP","P-value","FC(B/C)","Average(C)","Average(B)","S-1-1","S-1-2","S-1-3","S-1-4","S-1-5","S-1-6","S-1-7","S-1-8","S-2-1","S-2-2","S-2-3","S-2-4","S-2-5","S-2-6","S-2-7","S-2-8"]
["0.7_173.09539m/z",173.09539,0.7,"Neg","5-Isopropyl-2-methylphenol acetate",7,"M-H20-H","HMDB",1.04708,7.52553324331439e-06,0.669938851941543,0.485698897128514,0.32538856153155,0.380006793851019,0.485698897128514,0.491815578283044,0.514864782979029,0.545599155292106,0.46076582747355,0.467122695962114,0.539717446058736,0.297549474859961,0.335456867463498,0.354843173319929,0.346950401606994,0.346079981351142,0.30012586160143,0.251219844643875,0.370882887405571]
["0.75_329.08975m/z",329.08975,0.75,"Neg","Riboflavin reduced",4,"M-H20-H","HMDB",1.03854,0.00248202309001388,0.580242249884085,0.477411583652943,0.277014371419508,0.548446777496876,0.477411583652943,0.57827833310023,0.544634797395067,0.358982202913551,0.587803025344326,0.366430149034696,0.357305800285855,0.140315831275389,0.267133383530156,0.329182342457969,0.267559542650348,0.262217258237288,0.506019893928941,0.140649066861682,0.303037652414287]
["0.77_340.10386m/z",340.10386,0.77,"Neg","(S)-2-Hydroxy-2-phenylacetonitrile O-b-D-allopyranoside",0,"M+FA-H","HMDB",1.29997,5.62531532062846e-07,0.386881337236298,0.385380211452883,0.149096411551299,0.369946637168241,0.385380211452883,0.390630381242936,0.297436345334095,0.462447887392741,0.40036954509978,0.322064531733965,0.454766152198425,0.0770485487014772,0.200521701793134,0.100847221304178,0.154669100993259,0.204034871325116,0.209362817732682,0.143447543436175,0.10283948712437]
["0.79_180.06598m/z",180.06598,0.79,"Neg","2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one",0,"M-H20-H","HMDB",1.32621,0.00121990264401025,0.591928829196613,0.727726757258758,0.430762447399225,0.586063186418286,0.727726757258758,0.50868271121515,0.725002186905534,1.00614752007357,0.494664420491601,0.786653237716519,0.986874037990649,0.414065737091715,0.485168875308775,0.325936560097794,0.463074835808107,0.480362399546566,0.479141086829994,0.470513116862691,0.327836967648157]
["0.98_130.08735m/z",130.08735,0.98,"Neg","(2R,3R)-2-Amino-3-methylpentanoic acid",-0.00145,"M-H ","Main Standard Library",1.74416,2.44073256247932e-06,0.563235404594182,0.958986543984783,0.540135174101645,0.888620901951574,0.958986543984783,0.831930997764339,1.01025182716082,1.17184985028573,0.78294189079093,0.898407224507076,1.12890311543301,0.611481730876742,0.557911636163958,0.496683697857992,0.649071896739702,0.564803710968269,0.531018849085393,0.417786516622684,0.492323354498421]
["1.11_132.10155m/z",132.10155,1.11,"Pos","L-Leucine",0.00185,"M+H ","Main Standard Library",1.1267,1.00237567336983e-05,0.625555036380738,0.466253429148957,0.29166718083392,0.384353696315095,0.466253429148957,0.391115403652576,0.474535159967236,0.580514609160706,0.433564850183983,0.458900588149373,0.540789696613732,0.285688055199564,0.3086056139774,0.259820556924341,0.329752513654543,0.27491155465029,0.33409362092421,0.273750682634486,0.266714848706525]
["1.69_340.13935m/z",340.13935,1.69,"Neg","Mycotoxin t 2",2,"M-H","HMDB",1.19231,2.34793919318586e-07,0.321937098625159,0.291989840342599,0.0940023620279197,0.301933680650676,0.291989840342599,0.318819327920778,0.23131968273815,0.336751415845696,0.314760294033669,0.219477342921903,0.32086713828732,0.0364579250437047,0.141091254982634,0.0563800768011455,0.112774197723832,0.143756945728371,0.125188062632573,0.0807678022639578,0.0556026310471387]
["1.8_109.02964m/z",109.02964,1.8,"Neg","Resorcinol",-0.00096,"M-H ","Main Standard Library",1.38125,1.28247869165177e-07,0.262843653944546,0.367266177917119,0.096533584173983,0.251053916052355,0.367266177917119,0.470018120437257,0.309180413508139,0.39516490137205,0.431903411831818,0.328484955857068,0.385057526361143,0.0313120719085206,0.124198100173965,0.124938211649622,0.080861114865428,0.119220548808172,0.0902901566844851,0.0665698876177722,0.1348785816839]
["1.8_188.98666m/z",188.98666,1.8,"Neg","(z)-[3-(methylsulfinyl)-1-propenyl] 2-propenyl disulfide",0,"M-H20-H","HMDB",3.05096,9.93721659940893e-08,0.250790785471425,1.74968667970309,0.438805296731628,1.18172177954968,1.74968667970309,2.2068900394038,1.44065609721649,1.92288140864974,2.03299606021996,1.60003247645727,1.86262889642471,0.12658088882378,0.551000390011476,0.571896851755339,0.372045592371401,0.549322104245349,0.416272013336302,0.298214962671909,0.625109570637472]
["10.08_499.30398m/z",499.30398,10.08,"Neg","Corosin",4,"M-H20-H","HMDB",1.67042,0.000833015969181453,0.599244142269821,1.2633584284747,0.757060137850669,1.51520902979934,1.2633584284747,1.51799115183927,1.56159490245042,0.881165971358376,1.53719691412178,0.987439513924687,0.842911515829004,0.816010123466343,0.83035202092485,0.767401046563766,0.834664630016746,0.820819910649062,0.73419469493151,0.459503519652714,0.793535156600361]
["10.63_536.26067m/z",536.26067,10.63,"Pos","Sulfolithocholylglycine",9,"M+Na","HMDB",1.67691,0.0218530359939299,0.745174713438225,2.59703620432043,1.93524570934317,3.76163657278631,2.59703620432043,2.12375589392749,3.43685889062473,2.2436605506196,2.07831987617855,2.41287839182622,2.12214325428009,2.40400867919178,1.84103093409681,1.88033028681647,2.14057058328576,1.86498243308881,1.51193976835099,1.5386586885427,2.30044430137205]
["10.99_513.28589m/z",513.28589,10.99,"Neg","Ganoderic acid C1",0,"M-H","HMDB",1.19321,2.80044673073615e-06,0.370428591375913,0.337279543591173,0.124937986232389,0.452408216126126,0.337279543591173,0.342502167126701,0.418193426341642,0.290302225239556,0.341483804762359,0.231052070529401,0.285014895012429,0.101238363853845,0.0874488093725113,0.172408697563164,0.108962983435554,0.0828156671303615,0.130674976465399,0.149737342009782,0.166217050028496]
["11.05_515.30332m/z",515.30332,11.05,"Neg","Probucol",2,"M-H","HMDB",1.14894,3.05792370706476e-07,0.50190490706326,0.375275605961732,0.188352668133332,0.356072501319975,0.375275605961732,0.402377147069283,0.432957939311918,0.372369080621281,0.396884725527329,0.31290962449035,0.35335822339199,0.177804913210535,0.13788791698282,0.211698576814189,0.142572032831413,0.138284350348186,0.251526166140045,0.233593456316981,0.213453932422484]
["11.15_464.29935m/z",464.29935,11.15,"Neg","Glycocholic acid",-0.00275,"M-H ","Main Standard Library",2.21474,0.00101994747542628,0.3001922052956,1.14765530806,0.344517177845732,0.47798203270885,1.14765530806,1.38778181329038,0.237054365853529,1.69481588061254,1.32900068851284,1.29162602168113,1.61532635376071,0.432297406005467,0.473101025622548,0.362274387381107,0.511611893191542,0.474069463268121,0.109068627297384,0.0518523602323545,0.341862259767329]
["11.15_465.30193m/z",465.30193,11.15,"Neg","Ganolucidic acid e",3,"M-H20-H","HMDB",1.19975,0.000851737515750194,0.371212477668426,0.374498363710161,0.13901846547562,0.184806611398743,0.374498363710161,0.443792053608048,0.109312364462117,0.514397087471533,0.439032477123408,0.414789356174928,0.515358595732348,0.15125153379445,0.179548916458571,0.139542372093165,0.19357387951955,0.181919360404967,0.0715753975042244,0.0574253470898428,0.13731091694019]
["11.52_471.30897m/z",471.30897,11.52,"Neg","13'-hydroxy-gamma-tocotrienol",6,"M+FA-H","HMDB",1.44302,8.05519632109777e-05,0.676199660609133,1.06765292724586,0.721946547052,1.20559480781647,1.06765292724586,0.943560149404411,1.04004837431424,1.12786124765968,0.953403284463077,1.10615031625599,1.09695231080717,0.679840220444106,0.89652705316435,0.642719227732915,0.642633709998442,1.03151570535973,0.633824660766047,0.644947401016865,0.603564397933549]
["11.61_594.30618m/z",594.30618,11.61,"Pos","Angeloylsenkyunolide f",0,"2M+NH4","HMDB",1.3755,0.0101370133184118,0.732595354651158,1.50467637176682,1.10231892020973,2.07920694518845,1.50467637176682,1.18108397977848,2.05759367452561,1.34699362014184,1.27209334319831,1.38515162304023,1.21061141649483,1.31853602039273,0.976273895734927,1.11789693714753,1.08606513049695,1.09893271533192,0.94404522563628,1.04687708799499,1.22992434894253]
["11.78_457.32906m/z",457.32906,11.78,"Neg","N-decanoylglycine",2,"2M-H","HMDB",2.64165,0.00418263199861632,0.413769034329765,2.1717551603714,0.898605035507559,1.26128969577095,2.1717551603714,1.29909995111465,1.38573680274073,3.37774638034429,1.30817207097762,3.31137499662322,3.25886622502836,0.423689583390471,1.33138007707138,0.572592394422984,1.186724780784,1.30754966874376,0.977194880473413,0.824896444402071,0.564812454772405]
["11.78_458.32559m/z",458.32559,11.78,"Neg","5alpha-tomatidan-3-one",4,"M+FA-H","HMDB",1.16397,0.0168598593259736,0.567031474299606,0.628335563632508,0.356286041001415,0.381877696221907,0.628335563632508,0.404941513014314,0.736244759987079,0.661113236322592,0.690820058368521,0.900622402143887,0.622729279369254,0.143723602511133,0.400577095742128,0.174995271463553,0.677731174536573,0.721651120575194,0.29645529420656,0.257798764709481,0.177356004266696]
["11.82_199.17062m/z",199.17062,11.82,"Neg","Ethyl decanoate",1,"M-H","HMDB",2.0428,5.20486272055256e-06,1.25438267535544,2.41891965135184,3.03425090373258,2.4547621422007,2.41891965135184,2.41245358383609,2.56532840427922,2.52115986140511,2.33639494087105,2.26381359564442,2.37852503122632,2.54218581206686,3.18627956414006,3.08515934886073,3.04693284149357,3.07757535610921,3.31422725479227,2.96803330899548,3.0536137434025]
["12.09_517.31268m/z",517.31268,12.09,"Neg","(23s,24s)-17,23-epoxy-24,29-dihydroxy-27-norlanost-8-ene-3,15-dione",8,"M+FA-H","HMDB",1.30875,0.021221156125688,0.826121670267461,2.06955199268134,1.70970174889926,2.8036360241641,2.06955199268134,1.74828073394986,2.35843902063366,1.8129607569413,2.14070942418155,1.99288490064937,1.62995308824954,1.73297123421455,1.58458078830079,1.63510006908284,1.81989813701966,1.63178083205418,1.90949378125279,1.66434964405506,1.69943950521423]
["12.33_225.17679m/z",225.17679,12.33,"Neg","Xylometazoline",5,"M-H20-H","HMDB",1.03821,0.00026905753511218,2.15863965694447,0.149309001349938,0.322304331452751,0.230793587247679,0.149309001349938,0.156087675975249,0.161140312096699,0.132133244719364,0.118685310017314,0.107013835877583,0.139309043515677,0.343776001518796,0.317205788299021,0.303960880592024,0.176987213326626,0.318759778726937,0.518908432190906,0.312736159742983,0.286100397224716]
["12.36_415.21136m/z",415.21136,12.36,"Pos","Met His Lys",2,"M+H","Metlin",1.45356,0.000571294863089277,0.743969445878579,1.28115014276237,0.953136561798184,1.26233858983653,1.28115014276237,1.16357073440992,1.31345233837903,1.55270949283129,1.14342043550425,1.03096890778558,1.50159050059,0.915997184768973,0.817049907321753,1.08377262627143,0.95385327560901,0.815554156432349,1.02981604332283,0.902321842782554,1.10672745787658]
["12.48_455.31438m/z",455.31438,12.48,"Neg","(3beta,17alpha,23s,24s)-17,23-epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one",4,"M-H20-H","HMDB",2.43846,8.64711335090895e-05,0.59997144790916,2.50582793750003,1.50342521587312,2.74013914646073,2.50582793750003,2.27835641184029,2.17654477735397,2.64812903403311,2.29329216220228,2.8716799308072,2.53265409980259,0.985062325123292,2.10287756861671,1.07109207958509,1.35848825238606,2.11243670454633,1.54051114543639,1.79178827452656,1.06514537676449]
["12.77_251.20032m/z",251.20032,12.77,"Neg","8-oxohexadecanoic acid",3,"M-H20-H","HMDB",1.13856,0.000217193027689793,2.07917863141859,0.1906123122154,0.396317046443549,0.146925615173616,0.1906123122154,0.134938613647722,0.291400948577087,0.215004316052273,0.13085235829284,0.24292713258356,0.172237201180704,0.538397373602549,0.357695328500524,0.379028904412552,0.222448204260559,0.330942229900713,0.442253164387081,0.521777930556988,0.377993235927423]
["12.94_227.20167m/z",227.20167,12.94,"Neg","2,6,10-trimethylundecanoic acid",0,"M-H","HMDB",3.02173,0.000305718516271402,1.37532382085942,3.9677410475231,5.45692877766024,4.64242560439413,3.9677410475231,3.72758995552178,4.07796793071577,4.17560934925646,3.55051291340116,3.60044296416641,3.99963861520598,6.81123589373144,5.52126940528654,5.7524731302618,3.987309278421,5.53298736442991,5.69600939550579,4.78835828041693,5.56578747322849]
["13.18_703.38537m/z",703.38537,13.18,"Neg","Atazanavir",4,"M-H","HMDB",1.34891,0.00228544833488033,0.708904284696375,1.027739127388,0.72856867095547,1.23846811782166,1.027739127388,0.707654455484925,1.25809850880454,1.05460514915258,1.13934660209802,1.12036258289472,0.675638475459574,0.68475705521184,0.783315895083559,0.690586454230981,0.728391661682382,0.722140035746123,0.818912755294057,0.71403993936895,0.686405571025869]
["13.28_253.21711m/z",253.21711,13.28,"Neg","Cadinene",1,"M+FA-H","HMDB",4.30859,0.000341618357317358,2.07674117178263,2.87478812527951,5.97019085991975,3.97151292921633,2.87478812527951,2.15429791489118,3.49030254158943,3.02139055657904,2.08972401879019,2.55743469140422,2.83885422448616,6.9247096116005,6.09533494523384,5.53780847785373,3.311886402098,6.0889126223454,9.41433833671196,4.88157719388614,5.50695928962847]
["13.28_457.29262m/z",457.29262,13.28,"Neg","Polyporusterone b",6,"M-H20-H","HMDB",2.6314,0.0253051975015136,0.649461486404436,4.27585455899154,2.77700285753183,3.91949783763209,4.27585455899154,2.878826624859,2.21975315712655,6.48295248100601,2.91618809921742,5.41837358498392,6.09539012811581,2.12854352929998,3.38804713529111,2.21114286101199,2.52515689205044,3.29464607727853,3.2524663051633,3.32158061766057,2.09443944249875]
["13.37_241.21727m/z",241.21727,13.37,"Neg","Dodecyl propionate",0,"M-H","HMDB",2.00597,0.00454723763456792,1.25625862218699,2.87781078555572,3.61527461237709,2.97711593140838,2.87781078555572,2.38388752619326,3.43295869473972,3.20307755424455,2.42103344157629,2.71715489210899,3.00944745861889,4.29652660471561,3.81884130530335,3.78617561804166,2.54774509666933,3.8112531941209,3.56204748482669,3.42230321993087,3.67730437540836]
["13.64_330.33651m/z",330.33651,13.64,"Pos","Menthanol",0,"2M+NH4","HMDB",1.37024,0.0260770967679441,0.824366079452722,2.63239520886743,2.17005731790418,2.16810107100025,2.63239520886743,2.96210893258993,2.96200937511177,2.42697992114047,2.95714145508987,2.466933317703,2.48349238943675,2.05663733964392,1.91477304087491,2.66458830059525,2.4426132859293,2.00257436820524,1.38959610667759,2.20091241171636,2.68876368959083]
["13.68_267.23228m/z",267.23228,13.68,"Neg","Avocadene",0,"M-H20-H","HMDB",1.61191,0.00134741657034167,1.60281641103374,0.76417863937622,1.22483806415364,1.11594298299194,0.76417863937622,0.658051965597024,0.79349978266114,0.790785253499569,0.632893863513577,0.631628494867386,0.726448132502906,1.58251422466814,1.16280892698259,1.33680485086928,0.679310873556641,1.20238841529789,1.48951884357176,1.00461678933512,1.34074158894767]
["13.72_415.16388m/z",415.16388,13.72,"Neg","4-Aminobenzoyl-(beta)-alanine",4,"2M-H","HMDB",1.84133,0.0446012268119788,1.56702700932576,1.60124451835824,2.50919340880218,2.57403665074297,1.60124451835824,2.12991210721528,2.47422723456345,0.644085511379406,2.20858891373209,0.571020187477432,0.60684102339708,2.82611546474207,2.58389050891219,2.78137755419841,3.38015267126251,2.30746501392206,2.8145715310027,2.62512751258957,0.75484701378796]
["13.74_403.12809m/z",403.12809,13.74,"Neg","Bentiromide",5,"M-H","HMDB",1.50926,0.0332861347575914,1.20806126497875,2.2069034750348,2.66607460373654,2.46500672814087,2.2069034750348,2.33828236788286,2.33130682026036,1.13083299753477,2.45319642029326,2.36117801248003,2.36852097865144,2.37337271184642,2.75282544930985,2.40293933053752,3.38417470185576,2.47392466031205,2.53799165810218,2.60936723067465,2.79400108725388]
["13.78_511.47002m/z",511.47002,13.78,"Neg","10-hydroxy-16-hentriacontanone",6,"M+FA-H","HMDB",2.10477,0.00170110199766022,1.52717921573043,1.49986504459787,2.29056272251046,1.55900631411726,1.49986504459787,1.2364263067335,1.97295897628472,1.54979374958365,1.25026086743652,1.4724490481088,1.45816004992063,3.30180226247865,2.24943553219011,2.14190569209761,1.43934503304241,2.17562599784541,2.68474823348078,2.2087276615304,2.12291136741833]
["13.79_257.23911m/z",257.23911,13.79,"Neg","Decanoylcholine",12,"M-H","HMDB",1.6829,0.00114474956493429,1.23987667521022,2.07087080915889,2.56762441364983,2.11651948929503,2.07087080915889,1.8724158526673,2.31528634299816,2.26502479541439,1.89713816946296,1.98162630964568,2.04808470462872,2.99373873640259,2.52199779803356,2.58860332942869,1.91732230065124,2.53481790586614,2.78149764255973,2.60660024670565,2.59641734955102]
["13.95_478.29293m/z",478.29293,13.95,"Pos","LysoPE(0:0/18:2(9Z,12Z))",0,"M+H","HMDB",2.70032,0.00229933695302527,0.779846808933504,6.46513376825714,5.04181393850357,6.7137175062182,6.46513376825714,6.69596108675657,6.02945721685452,6.36490879577679,6.35438786406604,6.53930476204932,6.55819914607854,6.8711215014145,5.29094969296414,5.18219453941433,4.72060806770524,5.44048512534206,3.18961680080479,4.24922818935548,5.39030759102801]
["14.03_523.32260m/z",523.3226,14.03,"Pos","3-Hydroxylidocaine",5,"2M+Na","HMDB",1.28361,0.00221639250041015,0.816417082571116,1.37461972214952,1.12226302320203,1.35607769096124,1.37461972214952,1.2719062879524,1.20861878442334,1.68780251715671,1.26538608085318,1.37936094299325,1.45318575070654,1.31521900400853,1.01702410908274,1.03479027371231,1.19582433008902,1.21393575398945,1.01770775809761,0.995975943593234,1.18762701304335]
["14.05_806.46948m/z",806.46948,14.05,"Pos","PE(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))",5,"M+Na","HMDB",1.00974,3.0029034968605e-06,0.781786159131365,0.661838837733845,0.517416442915909,0.678938040603613,0.661838837733845,0.586479388499621,0.701834577715937,0.691355586272444,0.625535429059737,0.631600558002387,0.717128283983178,0.554351545195246,0.505430604402314,0.522064247373925,0.523703651856913,0.529122523909795,0.493937074881288,0.457193332133818,0.553528563573977]
["14.23_498.25811m/z",498.25811,14.23,"Neg","LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))",9,"M-H","HMDB",1.61563,0.00296597997639621,0.79723391689266,2.45558721996391,1.95767741764339,2.38068327231783,2.45558721996391,2.57719477424301,2.11311312737136,2.70746616761269,2.50657063307623,2.52995828055194,2.3741242845743,2.51321169027214,2.0653847171367,2.00213849705272,1.60896213429567,2.25832198436839,1.388499939329,1.90827130836429,1.91662907032817]
["14.31_833.54052m/z",833.54052,14.31,"Neg","11-hydroxyeicosatetraenoate glyceryl ester",2,"2M+FA-H","HMDB",10.444,2.91246459625727e-09,0.203564550677695,19.4849052396416,3.96643598010511,22.2387551712373,19.4849052396416,18.4790437741598,15.120242862295,15.2182141203077,20.1562184217965,20.4838807944643,24.6979815332308,4.66873881522601,5.42226643636806,3.47648449034467,3.70080688301744,3.43534243899775,3.60184248720621,3.3633771874866,4.06262910219414]
["14.32_454.29300m/z",454.293,14.32,"Pos","Glycerophospho-N-Palmitoyl Ethanolamine",0,"M+H","Metlin",2.15949,0.0106735997514542,0.666156496498388,2.72172813851199,1.81309688117223,2.11052756312041,2.721728138512,2.26361778677502,2.06168645407388,3.58414589079329,2.20922716496272,3.24159797562104,3.58129413423761,2.76313637256792,1.75638025428461,2.01181629327758,1.85011976748157,1.86530225334621,0.824492791432911,1.29556176284064,2.13796555414641]
["14.32_455.29539m/z",455.29539,14.32,"Pos","Verapamil",0.00419,"M+H ","Main Standard Library",1.08758,0.00917865630710192,0.660489580348471,0.67250627610396,0.444183388085618,0.51495496562912,0.67250627610396,0.562373231444105,0.484333873526569,0.875670312928047,0.585529681079279,0.790058696995477,0.894623171125126,0.679945433236253,0.446225349907447,0.48158999980592,0.442282643703549,0.460870575160081,0.20135612780201,0.324759048858267,0.516437926211414]
["14.35_395.21943m/z",395.21943,14.35,"Neg","Debrisoquine",2,"2M+FA-H","HMDB",2.37157,0.00103195687832067,0.70958429851819,3.1185426090923,2.21286886967184,2.69783417490143,3.1185426090923,2.86792553654078,2.45530088624117,4.00341519023231,2.91458402399791,3.24594328079262,3.64479517093986,2.79213820748558,2.39780143694511,2.15301842488502,2.04876751097819,2.62181892130535,1.93148813230883,1.75001865963828,2.00789966382839]
["14.38_523.31805m/z",523.31805,14.38,"Pos","26-methyl nigranoate",1,"M+K","HMDB",1.27663,0.00233522857301604,0.816982163305178,1.37356904118311,1.1221814067148,1.34338702000357,1.37356904118311,1.28044264165483,1.2111013076473,1.69014042714023,1.25582295110967,1.3808941922211,1.45319474850508,1.31712914549058,1.01625179993239,1.03652733843389,1.19275931652911,1.21355415565583,1.01357768689603,1.0002828716752,1.18736893910536]
["14.38_770.46464m/z",770.46464,14.38,"Pos","Polypodoside c",5,"M+NH4","HMDB",1.08484,0.000208587585675901,0.746241480603143,0.726607214881325,0.542224443849966,0.678321171402454,0.726607214881325,0.651232901286814,0.708961719414101,0.844888548969852,0.641112032161713,0.766412453127641,0.795321677806701,0.615438611741675,0.582271125956959,0.547330190954226,0.533866690024006,0.632642236243368,0.453754853348084,0.408616733820453,0.56387510871096]
["14.38_991.67223m/z",991.67223,14.38,"Pos","LysoPC(16:0)",0,"2M+H","HMDB",5.55708,0.0329495877465403,0.720235534347183,26.8687977972496,19.3518629387685,34.904889137452,26.8687977972496,20.425298872038,25.9594245365774,30.5278896364414,18.347098250866,25.7366437565563,32.1803403908162,27.8464971150749,23.3410864581376,19.8094941540433,20.4806069042068,25.3304125507062,9.50875850793697,8.39187894184196,20.1061688782002]
["14.46_503.29609m/z",503.29609,14.46,"Neg","2,4-undecadiene-8,10-diynoic acid isobutylamide",9,"2M+FA-H","HMDB",1.38926,0.00422839875708893,0.51772835956901,0.861209805619173,0.44587273990796,1.17291287635012,0.861209805619173,0.700409831609079,0.818011665659759,0.911988428071068,0.80276832218664,0.788708276356929,0.833669239100616,0.815186228861724,0.799543106843064,0.186905818233734,0.135490112525066,0.712427745557973,0.171501130708878,0.609677012035217,0.136250764498025]
["14.47_452.27599m/z",452.27599,14.47,"Neg","LysoPE(0:0/16:0)",5,"M-H","HMDB",5.04623,0.0139843403431005,0.679977389321058,15.8086373200169,10.7495159335885,11.9194233128229,15.8086373200169,13.2368116043513,10.3199627136719,20.8172907998947,14.2581882040166,19.4567203246964,20.6520642806644,16.7417572990821,11.2405826967484,10.9193336398628,10.5006490625875,11.1908571170789,5.67338208747768,8.86235976464535,10.8672058012254]
["14.48_453.27168m/z",453.27168,14.48,"Neg","Sinapoylspermine",0,"M+FA-H","HMDB",2.45275,0.00831533919902046,0.718213806734961,4.03576374164083,2.89854123996679,3.17678363582507,4.03576374164083,3.42189534333178,3.06567024150832,5.08518927473537,3.54261283541544,4.85756634999963,5.10062851067023,4.16256534407545,2.87287164662446,2.89018543716695,2.83334600159019,2.96483852269364,2.02168503653363,2.58610742653221,2.85673050451783]
["14.51_563.31141m/z",563.31141,14.51,"Neg","Propranolol",2,"2M+FA-H","HMDB",1.26321,7.10665307788494e-05,0.750042638572938,0.958466419887177,0.718890682555736,0.991545145946415,0.958466419887177,0.923485839601743,0.768008917096072,1.06185753912437,0.997593609990581,0.961550542829658,1.0052233446214,0.877290334192786,0.79593662696535,0.706916181360751,0.685426309566569,0.743872099021143,0.604648306967732,0.659650196078481,0.677385406293072]
["14.51_979.58169m/z",979.58169,14.51,"Neg","Macrocarpal I",3,"2M-H","HMDB",1.06076,0.0333514150575617,0.741810178831515,0.877873920335426,0.651215809835546,1.33958835388466,0.877873920335426,0.720637322275682,0.873739025922645,1.11467352374523,0.623150123614941,0.715623329510829,0.757705763393992,0.765120713513774,0.56943655343029,0.590547812362569,0.612573157786479,0.717593375127024,0.893434098629022,0.525490353951012,0.535530413884195]
["14.64_465.27363m/z",465.27363,14.64,"Neg","L,l-cyclo(leucylprolyl)",4,"2M+FA-H","HMDB",1.09551,0.0336471189557613,0.745803360943178,1.03181896212825,0.769534049840148,0.710362727923873,1.03181896212825,0.916210907237166,1.26540187762769,1.27731798843552,1.06650367884866,0.737282029367267,1.24965352545756,0.772200549663502,0.667456263504055,0.446755889971637,0.732627858273356,1.11042358254141,1.05024380562246,0.730495762107026,0.646068687037741]
["14.64_478.29158m/z",478.29158,14.64,"Neg","LysoPE(0:0/18:1(9Z))",5,"M-H","HMDB",5.46235,0.00291549120230939,0.724032948835663,18.9250089543034,13.7023300399256,20.0290968070292,18.9250089543034,17.8693610882207,12.6357402805288,23.7511171192453,18.4840287642685,19.6641496756377,20.0415689451933,17.638714768662,14.7483208896078,14.8439885102089,11.0654977017649,15.7519920122142,9.54096831552355,11.6771299478781,14.3520281735453]
["14.72_464.27603m/z",464.27603,14.72,"Neg","LysoPC(14:1(9Z))",5,"M-H","HMDB",2.50404,0.00135128004077305,0.79999186331198,5.03596500480854,4.02873102777071,5.56432054378429,5.03596500480854,4.26760927797224,4.93624277205137,5.96486323402708,4.24058221361027,5.13784268458596,5.14029430762859,4.46401009923202,4.18794201346723,3.83739488785201,4.06216231619582,4.67895378431566,3.87564700400354,3.41364179319527,3.71009632390414]
["14.72_541.32207m/z",541.32207,14.72,"Neg","Arginyl-proline",1,"2M-H","HMDB",1.942,0.00376998506271141,0.72028852272398,2.20141492797583,1.58565390637423,2.15177979498577,2.20141492797583,2.0667210361557,1.71290153790876,3.04839873950425,1.82472109018719,1.92857056501781,2.67681173207136,1.82214398996991,1.39054226830423,1.62665051933782,1.64832895400321,1.91444997789431,1.61719980429594,1.40508597434562,1.2608297628428]
["14.72_905.57232m/z",905.57232,14.72,"Neg","Sambutoxin",4,"2M-H","HMDB",3.64012,0.00715633608602183,0.792296167595398,11.8937399505906,9.42336458122919,12.8639211237777,11.8937399505906,10.1618602563859,11.0857014837971,14.6841124066177,9.64472199277021,11.6034787528058,13.2123836379796,10.6107345828078,10.7417811254235,8.16602074993711,9.54914775371998,11.679279461001,8.87850187366116,7.43842101802674,8.32303008525626]
["14.74_494.31440m/z",494.3144,14.74,"Neg","Chenodeoxyglycocholic acid",4,"M+FA-H","HMDB",4.96914,0.00132217246463715,0.777086653446001,18.0860385396307,14.054419162857,21.3722273781815,18.0860385396307,15.0223963639731,17.5323267388547,21.404354655001,15.0777110513013,17.3998857553884,18.7933678347151,15.6587581038934,14.9620187745707,13.5051252361294,13.8822159264879,16.1987326795583,13.7432646183525,11.771894841853,12.7133431220112]
["14.74_919.58061m/z",919.58061,14.74,"Neg","PE(P-16:0e/0:0)",1,"2M+FA-H","HMDB",1.55202,0.00898880679348094,0.748508151083821,1.8160479699451,1.35932670826313,2.06814061643982,1.8160479699451,1.4620782539107,1.62110725979899,2.31553617658316,1.344748923242,1.7865198717126,2.11420468792839,1.60657103024162,1.53637880977238,1.1830960858259,1.38508366039016,1.76307700981922,1.26906905274307,0.97687942006726,1.15445859724543]
["14.82_480.30857m/z",480.30857,14.82,"Pos","PE(18:1(9Z)/0:0)",0,"M+H","Metlin",2.0891,0.0108490893286783,0.749519048997822,3.77251108889606,2.82756892368311,3.91127579122172,3.77251108889606,3.6085272627669,2.6435187064151,4.26064133375105,3.46122734472841,4.0001910264577,4.52219615693154,3.77563548610311,3.04093004374562,3.1687288035997,2.35613242847088,3.11920414867656,1.60411504425004,2.20238792200905,3.35341751260993]
["14.85_748.52508m/z",748.52508,14.85,"Neg","PE(22:4(7Z,10Z,13Z,16Z)/16:0)",4,"M-H20-H","HMDB",3.33279,0.00153702027730738,2.47731482758868,1.26747754142825,3.13994090701584,0.281670716716829,1.26747754142825,1.48688710454146,1.32943452699375,1.35082898946586,1.03201245419138,1.37087189253911,2.02063710554933,2.65161062388243,4.3670107932914,0.283829394925822,3.77689822118155,3.70358753557414,3.73095082143437,3.50240070019024,3.10323916564672]
["14.92_347.01005m/z",347.01005,14.92,"Neg","Ethacrynic acid",2,"M+FA-H","HMDB",1.32021,0.0214725336773457,1.25952302201318,1.44694741020464,1.82246357479508,0.953630353368527,1.44694741020464,1.78808497059464,1.17301091689599,1.34481578917284,1.69228210730921,1.57867330316335,1.59813443092791,1.4545361699279,2.00744131868906,1.70356057793389,2.28173338566955,1.89270873693967,1.41202259062071,1.75790320779041,2.06980261078948]
["14.92_567.34165m/z",567.34165,14.92,"Neg","Hexylcaine",4,"2M+FA-H","HMDB",1.26767,0.00151373803213489,0.699209422935359,0.86343013687246,0.60371848774759,1.17315402363557,0.86343013687246,0.807875280989346,0.696348434464591,1.02268849437445,0.749174945720622,0.691184608828363,0.90358517009427,0.714001922569935,0.511010876452559,0.65055277365992,0.570229845191174,0.685789012574387,0.658847506681983,0.512267731643295,0.52704823320747]
["14.93_490.29056m/z",490.29056,14.93,"Neg","Dynorphin b (10-13)",5,"M+FA-H","HMDB",1.43759,0.0271721335545643,0.740843306480311,1.74183809992414,1.29042909730118,2.84703553108389,1.74183809992414,1.36172193428503,1.69202262570538,1.96400099787402,1.40251031489209,1.45506364244502,1.47051165318355,1.39182172358897,1.33530625124968,1.20538086605376,1.11394001316935,1.54131876825822,1.44979083555636,1.09524910899472,1.19062521153839]
["14.93_506.32253m/z",506.32253,14.93,"Neg","LysoPE(0:0/20:1(11Z))",5,"M-H","HMDB",1.62783,0.0252702486640357,0.739065782031139,2.37950971745799,1.75861421018379,3.71222282801762,2.37950971745799,1.78676694588626,2.04955751265124,2.56628587980812,1.77216717057243,1.9932909669337,2.77627671833657,2.11225104855539,1.94050577957127,1.59199395804545,1.56894946437279,2.0707407746632,1.7702424338987,1.34818427933464,1.66604594302883]
["14.93_520.33716m/z",520.33716,14.93,"Neg","LysoPC(18:1(9Z))",7,"M-H","HMDB",2.39816,0.0264632569085696,0.733752746755154,4.67016453274848,3.4267460537027,7.66336679201348,4.67016453274848,3.69946631048668,4.44892692774652,5.36722499171055,3.74064724218109,3.7227180050558,4.04880146004527,3.69203436256065,3.57973205646876,3.30032996316138,2.87869442879673,3.90370454081129,4.04628377284958,2.76431202663815,3.24887727833506]
["14.95_475.12596m/z",475.12596,14.95,"Neg","Orientin 7,3'-dimethyl ether",3,"M-H","HMDB",2.42768,0.00339785665181787,1.48638315512277,2.24520072063685,3.33722853102412,0.852701179848721,2.24520072063685,3.54139434367214,1.64381984630499,1.98825992270093,3.16220367350917,2.18053371053731,2.34749236788468,3.56013142497872,3.16358028810062,3.36246678255541,3.36403763825289,3.62839981188394,2.93258376648053,3.06245293642361,3.62417559951722]
["14.97_911.56991m/z",911.56991,14.97,"Neg","PI(20:1(11Z)/20:4(5Z,8Z,11Z,14Z))",5,"M-H","HMDB",1.45224,6.3539133125393e-05,0.666840483979343,0.969897489680674,0.646766911429011,1.17823144698053,0.969897489680674,0.911956800848473,0.99913161648202,0.928712984355775,0.83646822975325,1.01957328239296,0.91520806695171,0.767122855803453,0.610084111353029,0.79300673672494,0.581877738748368,0.52036121014199,0.817712699782891,0.496288627097235,0.587681311780184]
["14_335.25624m/z",335.25624,14,"Neg","MG(18:2(9Z,12Z)/0:0/0:0)",7,"M-H20-H","HMDB",1.28533,0.000761513585986828,1.47095505930103,0.581654735846781,0.855587976460228,0.572082157705658,0.581654735846781,0.492733896942644,0.678065213475439,0.633083497984631,0.477126129088329,0.617430095819416,0.601062159911352,1.02004441199346,0.859820668888718,0.910095776655576,0.486730147773542,0.902862466172827,1.00636686086992,0.782632672250094,0.876150807077681]
["14_563.49910m/z",563.4991,14,"Neg","DG(15:0/18:0/0:0)",9,"M-H20-H","HMDB",2.34933,0.00107729448855796,2.86598017527088,0.50858890522186,1.45760571972857,0.551601236550773,0.50858890522186,0.331515109122855,0.616348947735585,0.57498346013675,0.332628085193026,0.617315765323337,0.535729732490692,2.54512731801959,1.53266163552784,1.33695601203103,0.302308586308807,1.42921487964073,1.96581895258877,1.1322748650559,1.4164835086559]
["15.01_476.11296m/z",476.11296,15.01,"Neg","Ochratoxin c",3,"M+FA-H","HMDB",1.43447,0.00153777477581748,1.53901149299304,0.658610941365014,1.01360980817172,0.34664607135828,0.658610941365014,0.891854153383016,0.570322993361389,0.543857804495826,0.80057397136499,0.736395998702402,0.720625596889191,0.782532354241951,1.0328282961577,0.899236669881689,1.33673258752841,0.976064525833581,0.796282125534979,1.10265022757809,1.18255167861736]
["15.08_510.35552m/z",510.35552,15.08,"Pos","1-heptadecanoyl-sn-glycero-3-phosphocholine",0,"M+H","Metlin",2.16605,0.04825798193377,0.823130794582644,6.65759785444374,5.48007381193999,6.78497055768283,6.65759785444374,5.56050097995486,7.11126217574364,7.66158004084816,5.21161724291306,6.50052682950639,7.77272715445726,7.40655629793528,5.76404637168285,5.6240885845748,5.5081643280695,6.31925680926054,3.71284169248388,3.72993079833163,5.77570561318141]
["15.18_863.56870m/z",863.5687,15.18,"Neg","Latanoprost",1,"2M-H","HMDB",7.24236,0.000206240614481054,3.99649903445714,2.48905338449508,9.94749944784688,0.672645246659753,2.48905338449508,4.562191245105,0.625443842306891,0.718446485620933,3.86157643197955,2.84282382491392,4.14024661487955,9.53562646211072,15.0370185691099,8.61669825634629,5.95006477925957,15.038213354555,5.56053524396371,6.8986823692995,12.9431565481304]
["15.21_557.36382m/z",557.36382,15.21,"Neg","N-[(4-Hydroxy-3-methoxyphenyl)methyl]octanamide",8,"2M-H","HMDB",1.37818,0.00111119029093211,0.57913368754771,0.689065136815992,0.399060833644813,0.775222048701108,0.689065136815992,0.582584356435769,0.815906860988394,0.913126902347068,0.538983751340807,0.580873129110809,0.616758908787992,0.459853851495951,0.431944164592796,0.572760839887417,0.521169210615367,0.166092248278669,0.428333078639982,0.173356499268697,0.438976776379626]
["15.22_508.37507m/z",508.37507,15.22,"Pos","LysoPC(P-18:0)",2,"M+H","HMDB",1.40888,0.00127014356395134,0.671506593433203,1.00041702568684,0.671786628931544,1.05863975277193,1.00041702568684,0.744484835528498,1.09558129226276,1.20696773511246,0.709898721814572,0.960464581877998,1.22688226043964,0.829329178521669,0.652215821326637,0.642660578944107,0.852640133810003,0.728468239858857,0.49996650143233,0.513905496002066,0.655107081556684]
["15.31_627.50428m/z",627.50428,15.31,"Neg","DG(15:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)",8,"M-H","HMDB",1.48162,0.0052098915288561,1.64108327249364,0.616284150821365,1.01137361101589,0.252403591646835,0.616284150821365,0.921853007121122,0.259724073332893,0.480293757009974,0.527853122336336,1.10739583503424,0.76446566926815,0.901345904966846,1.03807534902794,1.23224885474779,0.963014050713631,0.769670460436207,1.08759121727586,0.933778503471163,1.1652645474877]
["15.32_465.30402m/z",465.30402,15.32,"Neg","Cholesterol sulfate",1,"M-H","HMDB",3.71088,0.00340676038062428,0.658342677802426,6.87365541869377,4.52522071463401,9.67694402057039,6.87365541869377,5.1678333541833,5.55457905485922,7.81989585123817,5.18071123825175,8.15967032773314,6.55595408402043,5.33948471324403,4.06108606186701,4.67930268564066,6.25105176145879,4.29078233980997,2.81752610600694,4.4999193397166,4.2626127093281]
["15.39_466.31338m/z",466.31338,15.39,"Neg","Gamma-linolenyl carnitine",9,"M+FA-H","HMDB",2.55783,0.00212682420312801,0.625644036567849,2.81623298981756,1.761959375665,3.19103830846579,2.81623298981756,2.17487725123946,1.83932325254244,3.54135440268107,2.23768697345789,3.75436049228413,2.97499024805214,2.19193354040448,1.74954344600024,1.60695376147015,2.44475632074712,1.77465093814285,1.19397074417379,1.38617966270854,1.74768659167283]
["15.51_569.35657m/z",569.35657,15.51,"Neg","Glyceryl 5-hydroxydecanoate",4,"2M+FA-H","HMDB",1.36862,0.0207561553521291,0.738147797597923,1.34492191875524,0.99275115227035,1.59628458508558,1.34492191875524,1.1191059614009,1.06398081769545,1.97627204568533,0.928482736467278,1.1639975438318,1.5663297411203,1.10071194830792,0.840017400939878,1.26589249062077,1.04103215673233,1.07455576693778,0.779446218076181,0.948467416625812,0.891885819922137]
["15.55_493.31472m/z",493.31472,15.55,"Neg","Asperagenin",5,"M+FA-H","HMDB",1.0212,0.0173611035953728,0.824792366305953,1.2833784388123,1.05852073941404,1.33648224030531,1.2833784388123,1.14920442423677,1.57356816914043,1.17490904734269,1.31081536683799,1.35541074771669,1.08325907610621,0.954491789278834,1.01823318851774,1.42101985252448,1.18021061541037,1.02748570791953,0.82970817173263,0.943281122264836,1.09373546766387]
["15.73_482.32389m/z",482.32389,15.73,"Pos","LysoPC(15:0)",0,"M+H","HMDB",2.9141,0.0348078184475169,0.724119568336001,6.85350339664034,4.96275592116452,4.91426204215023,6.85350339664034,5.33796096029207,5.90126194385449,9.12950033599978,5.06595417885376,8.43273589062101,9.19284842471103,7.0556957756131,4.91294889675341,5.52008995649017,5.59044985822665,4.95917080580413,2.43164549271265,3.71846099216719,5.51358559154882]
["15.76_339.32281m/z",339.32281,15.76,"Neg","Behenic acid",12,"M-H","HMDB",1.16353,0.000430885623043765,0.813529817836095,1.23690254482014,1.00625710196853,1.14871358283451,1.23690254482014,1.30439158153675,1.01792923610444,1.28285819171538,1.24331796409262,1.44802535513635,1.21308190232092,1.07916727931853,1.06778340583233,1.02463039623443,0.915732884957084,1.09701214862471,0.959211645655093,0.931735962678742,0.974783092447316]
["16.15_510.38822m/z",510.38822,16.15,"Pos","LysoPC(O-18:0)",7,"M+H","HMDB",1.05652,0.000870351439479247,0.663836685700173,0.543977660703393,0.361112327376274,0.486990684098899,0.543977660703393,0.479080772576526,0.495036380680732,0.651481179217125,0.458719341381118,0.564844330243296,0.671690936726057,0.509060692741926,0.381992528374875,0.34783824671972,0.407937429531371,0.417165832308916,0.257778101497774,0.214294796977547,0.352830990858061]
["16.2_466.32910m/z",466.3291,16.2,"Pos","Stearoylcarnitine",0,"M+K","HMDB",1.24745,0.0308310409011279,0.63139895181888,0.866682612700388,0.547222493218673,0.571848377988909,0.866682612700388,0.588384322582886,0.557629529236148,1.35406358414982,0.569249546676728,1.10875551158835,1.31684741667988,0.683623134979099,0.488006994173123,0.619625315901307,0.726948688817987,0.515555993309796,0.295897704595147,0.424993378641012,0.623128735331914]
["16.48_761.61653m/z",761.61653,16.48,"Neg","MG(18:0/0:0/0:0)",2,"2M+FA-H","HMDB",1.8485,0.0165371158122473,1.34735014484377,1.68601633282557,2.27165435024149,1.22684163125605,1.68601633282557,2.15483394768981,1.32037261916044,1.51189319449785,1.65189745396907,1.88262774854073,2.05364773466501,1.34854154827608,2.6319724672804,2.13001574779884,1.98765504807801,2.31228483510387,2.06466108632194,2.72834771531392,2.96975635375883]
["16.49_655.56716m/z",655.56716,16.49,"Neg","DG(20:1(11Z)/20:2(11Z,14Z)/0:0)",1,"M-H20-H","HMDB",1.51333,0.00416109244928419,7.00644562308964,0.0759107674959564,0.531864664667419,0.0433096381642132,0.0759107674959564,0.171212109918167,0.0417373161933488,0.0485552385207186,0.0351045359957876,0.0482063021948821,0.143250231484577,1.44157309156343,0.425440358894287,0.544226580922658,0.413009488631473,0.386872595465692,0.321393066966421,0.380367884532563,0.342034250362825]
["16.63_750.51105m/z",750.51105,16.63,"Neg","PC(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))",4,"M-H","HMDB",2.26845,0.00859367199595507,0.725899253909106,3.98820222403999,2.89503301886927,3.08576948593785,3.98820222403999,4.69831698439477,3.34398130137672,5.05740339588059,2.99749178144303,4.25963545707241,4.47481716217458,1.47389284293249,2.8685292052844,3.26842868830183,2.86879934496931,3.68584984306175,3.05333534633206,3.27668138327054,2.66474749680176]
["16.64_793.48514m/z",793.48514,16.64,"Neg","Calcitroic acid ",6,"2M+FA-H","HMDB",1.63569,0.0278944454024678,0.648057121942652,1.86357013011383,1.20769989505986,1.79866996770472,1.86357013011383,2.14443706304505,1.93902955007389,2.38905788441157,0.696289077573533,1.97917178030468,2.09833558768334,0.658752852594156,0.507392173545797,1.72391419605642,1.50069880644398,1.90512721437492,0.550441452738839,1.58892968989091,1.22634277483385]
["16.67_639.53642m/z",639.53642,16.67,"Neg","Pregnanediol",1,"2M-H","HMDB",3.10567,0.00173132882089275,2.26042735122003,1.14580957423684,2.59001930089473,1.88384604101461,1.14580957423684,2.53802259299578,0.223809056731838,0.286356780907258,0.307158033100224,0.354346263122965,2.42712825178521,1.91030557593205,2.47225098008334,2.82099537540997,2.41103666078396,2.73250322666846,2.60147011310062,3.02236758954881,2.74922488563065]
["16.7_638.53277m/z",638.53277,16.7,"Neg","Lactariamide b",6,"M+FA-H","HMDB",3.43492,0.0185248036804422,1.56955073850266,3.73728099323788,5.86585214292848,3.55938145152859,3.73728099323788,6.02304914116055,0.495529450029023,0.631639650410418,5.02333414435117,4.80604385983754,5.62198925534785,4.37829423379623,5.48407126586694,6.54644641685173,5.45548561514115,6.18894482467558,5.92856394507883,6.7598193666718,6.18519147534554]
["16.92_367.35658m/z",367.35658,16.92,"Neg","Tetracosanoic acid",4,"M-H","HMDB",1.77002,3.34105276097038e-05,0.766462374917201,1.97840800981278,1.51637530175631,1.78008628322748,1.97840800981278,2.08131947368947,1.66224321254792,2.16088842658666,2.10765336714578,2.09670797740176,1.95995732809037,1.6622097717674,1.55110877530784,1.67047761912589,1.40696830386995,1.54906089383854,1.33162497173483,1.37145253695475,1.58809954145131]
["16.95_610.50261m/z",610.50261,16.95,"Neg","N-(2r-hydroxyhexadecanoyl)-2s-amino-9-methyl-4e,8e-octadecadiene-1,3r-diol",4,"M+FA-H","HMDB",1.03813,0.00518196422692956,1.32449238028274,0.52337338623881,0.693204062116078,0.388591000565014,0.52337338623881,0.639380688242943,0.454232121088418,0.51537084303916,0.55333525724805,0.519194397625347,0.593509395862738,0.499526753476929,0.888123843652391,0.691614024158292,0.577221676005008,0.721233437466186,0.630047223253843,0.776650182527171,0.761215356388803]
["16.99_269.22634m/z",269.22634,16.99,"Pos","Retinol / Retinol skeleton",2,"M+H-H2O","Metlin",1.20457,0.00506063822409126,0.488852343322453,0.54938719999835,0.268569220110554,0.483149466194084,0.54938719999835,0.747023259163672,0.852891428469935,0.357523691387225,0.778009586322724,0.287338404591941,0.339774563858868,0.196265455913425,0.169729191892723,0.311520177547564,0.439457664287085,0.188042863707942,0.314697924755181,0.198111707252236,0.330728775528279]
["17.07_763.49870m/z",763.4987,17.07,"Neg","Narasin",2,"M-H","HMDB",1.26175,0.000126005622580408,1.66110781855495,0.350633281081369,0.582439684649837,0.312532409736669,0.350633281081369,0.351871187464542,0.331351578782803,0.325029228133175,0.34743616794269,0.392032564632422,0.394179830877282,0.576133396853363,0.681510127421859,0.464186303268419,0.579619090885576,0.673338359574659,0.452973357270029,0.777970813337279,0.453786028587514]
["17.12_738.50497m/z",738.50497,17.12,"Neg","PE(22:4(7Z,10Z,13Z,16Z)/14:0)",4,"M-H","HMDB",2.06359,0.0014663455394869,1.64035176811146,1.07494535299078,1.76328851040162,0.716546692993608,1.07494535299078,1.31190436654331,0.85343786294753,0.956527633403592,1.19036665043109,1.23916260052529,1.25667166409103,1.89585554519156,2.1294175234508,1.22500649692088,1.81891316502904,2.21807437009511,1.33471732080686,2.26567512160447,1.21864854011421]
["17.44_403.30472m/z",403.30472,17.44,"Neg","Glycerol 1-octadecanoate",4,"M+FA-H","HMDB",2.87484,0.00024449790754473,1.28471532866076,4.62099166008426,5.93665881932378,5.08177748795279,4.62099166008426,4.71347323481789,5.09282323019247,4.38149055414285,4.3244803109915,4.68813241995178,4.06476438254052,4.95358987353797,5.6242314659829,5.84154814985599,6.36614919632791,5.43416379836245,5.67293433147608,6.57559872448058,7.02505501456638]
["17.44_459.36665m/z",459.36665,17.44,"Neg","MG(0:0/22:0/0:0)",5,"M+FA-H","HMDB",1.47752,7.56112214101999e-05,1.28411143624889,1.15485103260366,1.4829574181302,1.04921359844067,1.15485103260366,1.20978198777362,1.23806653634743,1.15323696937769,1.15255259151029,1.20108450345237,1.08002104132355,1.2651920242745,1.41555684956692,1.54994546695888,1.43569500400146,1.40532013780118,1.3962966920047,1.65032934323705,1.74532382719691]
["17.98_851.51611m/z",851.51611,17.98,"Neg","Prostaglandin pge2 1-glyceryl ester",0,"2M-H","HMDB",1.79493,0.00238423626612013,2.05893664154406,0.548751104540197,1.12984375622559,0.220677787745088,0.548751104540197,0.789470154512932,0.445014469310237,0.559831909945477,0.482803722448365,0.539701809131872,0.80375787868741,0.878596611358483,1.18443655495612,0.277894022783662,1.45606497157541,1.44780588056004,1.44931928513733,1.29745231886888,1.04718040456479]
["18.02_827.51685m/z",827.51685,18.02,"Neg","Ascorbyl palmitate",1,"2M-H","HMDB",1.53207,0.0469128338532665,1.66416518684017,0.848674812847896,1.41233507848957,0.109117279760813,0.848674812847896,1.2240866756317,0.700538401762281,0.839668116091492,0.654693021671829,0.711080080995208,1.70154011402195,1.96546660111868,1.36662236921921,0.235870119002172,1.70319454662131,1.84058775576253,1.57984272502543,1.65117860109425,0.955917910072956]
["18.04_742.53549m/z",742.53549,18.04,"Neg","PC(15:0/18:2(9Z,12Z))",5,"M-H","HMDB",7.42363,0.0109260186854904,2.20012687413461,9.12793515182846,20.0826154328958,0.518966275653191,9.12793515182846,15.1612504915406,6.44413232798654,7.42523935509033,6.36641202826951,8.9905114192046,18.9890341650544,25.7124913366096,20.3045040157954,0.646906616056549,26.9687029394034,26.0538771774786,22.7299394535054,24.3547010367929,13.8898008875242]
["18.12_702.54119m/z",702.54119,18.12,"Neg","PC(15:0/P-16:0)",4,"M-H","HMDB",1.77294,0.0030252087430361,1.36587564791282,1.41879129828914,1.93789248380375,1.83910539112928,1.41879129828914,1.82109075360833,1.50803869087325,1.23212580761687,1.03759045645222,0.807519996415221,1.68606799192879,1.72999509163007,1.97004371683423,1.99271150511925,2.14195275716816,1.65099303247981,1.92051690754685,2.12176674778904,1.9751601118626]
["18.14_740.51869m/z",740.51869,18.14,"Neg","PC(15:0/18:3(9Z,12Z,15Z))",7,"M-H","HMDB",2.08083,0.00627017693793449,1.23377847782096,3.52251709576948,4.34600578051678,2.57613849123268,3.52251709576948,3.6576500974056,3.334991008119,3.68518962515285,4.06610715019322,3.78132629475829,3.5562170035247,4.60341475307866,4.94874898078958,3.54190101646524,4.21291635217634,5.05316511629736,3.77114420758791,4.77446263732537,3.86229318041378]
["18.41_283.26325m/z",283.26325,18.41,"Pos","Oleic acid",-0.00135,"M+H ","Main Standard Library",1.02506,0.00734721425771887,1.42662454502603,0.470853328865932,0.671730916067353,0.514156909203762,0.470853328865932,0.338296699964053,0.64487437189959,0.491077131143842,0.343401075981256,0.466886050044523,0.497281063824499,0.873756764848879,0.660964292366887,0.706638162010863,0.361967551539322,0.692594847123053,0.762460548721003,0.568081850208197,0.747383311720623]
["18.54_797.58943m/z",797.58943,18.54,"Neg","Allolithocholic acid",5,"2M+FA-H","HMDB",1.39039,0.0298207113798994,1.59966306594491,1.13091614015487,1.80908478008672,0.235044839383095,1.13091614015487,1.03769227875069,0.872648092796565,2.37370846524727,1.19139611479063,1.1470167125504,1.0589064775654,2.4461732231227,1.65364665873515,2.43742667505361,2.35173622105665,1.36271754059608,1.09703233219573,1.448756737075,1.67518885285883]
["18.55_862.61222m/z",862.61222,18.55,"Neg","3-o-sulfogalactosylceramide (d18:1/22:0)",4,"M-H","HMDB",7.26464,0.00163088754880326,2.94679772952371,4.00596830515477,11.804778306174,0.831304056348031,4.00596830515477,10.7756147691239,0.820470176837584,0.629177667767296,1.34495243177011,1.21767347002871,12.4225855642078,12.2451647082041,17.5650212066696,10.120537643175,11.4317837746295,8.86885026610741,9.61142818358865,9.89266836728712,14.7027722997307]
["18.58_787.60463m/z",787.60463,18.58,"Neg","Tetradecanoylcarnitine",1,"2M+FA-H","HMDB",1.3387,0.00827994344336517,1.7338836678149,0.401827020955112,0.696721308920783,0.153559609393435,0.401827020955112,0.698796189173202,0.202630912363719,0.277937034251553,0.297129990825244,0.333382466405292,0.849352944273337,0.714943658947446,0.893962934598772,0.64208956949011,0.745249363403079,0.615622449752091,0.501185996923962,0.68794562501485,0.772770873235956]
["18.58_825.61142m/z",825.61142,18.58,"Neg","SM(d18:0/22:3(10Z,13Z,16Z))",2,"M+FA-H","HMDB",1.39266,0.00811630292705732,1.85664742079688,0.525450497576337,0.975576311081546,0.205381010042103,0.525450497576337,0.636704005396441,0.473760764873788,0.717325441982559,0.543412992704129,0.488040133753228,0.613529134282113,0.678096099885911,1.0068504338272,1.62147552899297,1.50885007863989,0.70908869310178,0.635468781799784,0.76758223262102,0.877198639783818]
["2.1_134.06122m/z",134.06122,2.1,"Neg","2,3-dihydro-1H-Pyrrolizine-5-carboxaldehyde",1,"M-H","HMDB",1.00594,2.60042064417532e-06,0.436758842526205,0.262003827314444,0.114432488355292,0.185941431388238,0.262003827314444,0.292193579709621,0.210172327389643,0.299461737271415,0.281145075779287,0.277475306017326,0.287637333645576,0.0927125990501789,0.169527306815273,0.0883632500603561,0.120398101225891,0.16662210093137,0.111268112158144,0.070035219782352,0.0965332168187725]
["2.1_178.05129m/z",178.05129,2.1,"Neg","Hippuric acid",9e-05,"M-H ","Main Standard Library",2.25382,1.83134159019074e-06,0.420376539510315,1.26563163546425,0.53204184721124,0.917437298285053,1.26563163546425,1.41587977285202,1.00134128324098,1.4479023423697,1.34740920579453,1.34223475498074,1.38721679072671,0.428800707066195,0.789440501869159,0.420222852646372,0.585690848720038,0.787393233993331,0.512569264287587,0.303142526571839,0.429074842535404]
["2.2_188.07065m/z",188.07065,2.2,"Pos","Dl-Indole-3-lactic acid",0.00015,"M+H-H2O ","Main Standard Library",1.62235,6.92899720090171e-05,0.729240934677736,1.46831390657813,1.07075460563335,1.26883819843826,1.46831390657813,1.51727840236231,1.58513495771104,1.59377424021408,1.50079734791889,1.29295902984616,1.51941516955618,1.18496580913888,1.13522915094173,1.10813853408444,1.22732873094704,1.15959612466655,0.823499701559381,0.814630828606252,1.11264796512255]
["2.32_212.00258m/z",212.00258,2.32,"Neg","Indoxyl sulfate ",-2e-05,"M-H ","Main Standard Library",1.62725,0.0114852911667681,2.0223428954508,0.438734515009906,0.887271629419338,0.582938864971897,0.438734515009906,0.37542424920127,0.741435246330522,0.431906521666298,0.355712531620981,0.190516418723483,0.393207772554895,0.316461490021963,1.34361761380314,0.84693708990715,0.352403381543807,1.30827335892433,0.821468055578697,1.26304637500573,0.845965670569888]
["2.34_182.02792m/z",182.02792,2.34,"Neg","1h-pyrrolo[2,1-c][1,4]thiazine",1,"M+FA-H","HMDB",1.07482,1.93568412013035e-06,0.550126459713063,0.360349483128183,0.198237785412739,0.29683937023973,0.360349483128183,0.408020282135595,0.282827657912384,0.421422242914277,0.388245932909941,0.328439841321834,0.396651054463521,0.152513980886396,0.216620067571636,0.212221133391505,0.206209634200153,0.216154888861777,0.213772658135708,0.155854542486541,0.2125553777682]
["2.51_203.08289m/z",203.08289,2.51,"Neg","L-tryptophan",1,"M-H","HMDB",1.89977,1.01234590925365e-05,0.686379461134417,1.67050680349359,1.14660155960331,1.51761037632265,1.67050680349359,1.7528318631245,1.8216800550651,1.79496392829005,1.70822610398327,1.37559368431752,1.72264161335206,1.31644087892187,1.24990875074512,1.10897064816283,1.31581876038248,1.25146819271869,0.956940388269582,0.899476317877088,1.07378853974881]
["2.59_285.11301m/z",285.11301,2.59,"Neg","4-Methylbenzaldehyde",1,"2M+FA-H","HMDB",1.14505,0.000694425013003577,0.506244643540617,0.45818888969099,0.231955671135886,0.601079725711421,0.45818888969099,0.549620424204472,0.483835065307453,0.381169961190081,0.504132062414886,0.314028755331107,0.373456233677509,0.0804632748257239,0.245540507658976,0.234225757427821,0.249447450550245,0.252857061762286,0.454523726878256,0.113276094378025,0.225311495605759]
["2.6_329.10225m/z",329.10225,2.6,"Neg","2'-Hydroxy-4',6'-dimethoxychalcone",2,"M+FA-H","HMDB",2.02339,0.00019668662209242,0.465541280704501,1.24237985991297,0.578379111105362,1.56797324535441,1.24237985991297,1.5278359678958,1.25748159010031,1.04099918019465,1.44572047671332,0.855924276347922,1.00072428278437,0.19434842169141,0.612567447255425,0.634801138035957,0.650045412510939,0.600883809015966,1.06722770219006,0.240932930118837,0.626226028024308]
["2.85_153.01951m/z",153.01951,2.85,"Neg","2,4-dihydroxybenzoic acid",1,"M-H","HMDB",1.92579,2.17871665882178e-05,0.307425155325973,0.821393934676999,0.252517157951889,0.626256493735547,0.821393934676999,1.201728922378,0.554256509994704,0.841713833467557,1.14116775764237,0.564784225266229,0.819849800254587,0.178391256855201,0.370242051047725,0.195896761243053,0.270852209453656,0.367413346406104,0.253493082350677,0.188960648867537,0.194887907391157]
["21.02_804.54737m/z",804.54737,21.02,"Pos","PC(22:4(7Z,10Z,13Z,16Z)/14:0)",5,"M+Na","HMDB",2.18489,0.00773409563824388,0.489411184378162,1.79684041979853,0.879393797992151,0.461030658959907,1.79684041979853,2.32047104296963,1.27656726788007,1.86398860854242,2.05820099932329,2.35600187487476,2.2416224860396,1.52027886181695,0.0908359849712022,0.884336440618586,1.11974300329035,0.0908217611130862,0.872211458021112,1.13823031141558,1.31869256269034]
["21.03_802.53611m/z",802.53611,21.03,"Pos","PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:0)",0,"M+Na","HMDB",3.42074,0.00240263806190901,0.744965387293389,8.29710732607879,6.1810577725871,7.54429280990248,8.29710732607879,9.27538165795442,5.83126206347728,8.78822334550347,9.06687270955934,9.00105303076027,8.57266566539428,7.47765848342955,7.08467963774578,6.02881556331248,6.7744134120514,7.05706049750014,4.22981220794573,4.81236890216364,5.98365347654811]
["21.04_780.55334m/z",780.55334,21.04,"Pos","PC(22:5(4Z,7Z,10Z,13Z,16Z)/14:0)",1,"M+H","HMDB",5.66448,0.0178433088012405,0.742151318402967,26.8519933071183,19.9282422346255,17.7954082384354,26.8519933071183,31.9755323528246,19.0709217886221,28.7865532520548,30.478959179201,31.4305279109873,28.4260504277028,26.7478860719236,22.5597478253021,18.6186206107416,22.1693104575133,23.8273732552819,12.8992511085502,13.7801964514015,18.8235520962896]
["21.07_764.51932m/z",764.51932,21.07,"Pos","PE(20:3(8Z,11Z,14Z)/16:0)",1,"M+Na","HMDB",1.24383,0.0106673158726583,0.5772659072466,0.798439114267325,0.4609116796787,0.557837510076924,0.798439114267325,1.26494718482465,0.450695711464235,0.601633731714874,1.20566734631271,0.833313492019988,0.6749788234579,0.669797684040134,0.451014203797596,0.554594768278668,0.443347108007508,0.483805095919734,0.266354437563971,0.304385195306882,0.513994944515104]
["21.22_739.55952m/z",739.55952,21.22,"Pos","Tetracosapentaenoic acid (24:5n-3)",5,"2M+Na","HMDB",1.19692,0.0455444665956949,0.825339992655831,1.9919176142041,1.64400926907823,1.69714364869755,1.9919176142041,2.21346404706667,1.87661238123939,1.90092963491922,2.26006174460153,2.13188759116068,1.86332425174366,2.23966933720799,1.79701432547963,1.54026029644949,2.0515904283747,1.7486508364594,0.985311301403228,1.3014938030595,1.48808382419193]
["21.48_716.55854m/z",716.55854,21.48,"Pos","1,2-dipalmitoyl-sn-glycero-3-PC",1,"M+H-H2O","Metlin",1.55656,0.000328581767219294,0.564146058765975,0.914889735649818,0.516131438572289,0.749000913060252,0.914889735649818,1.13123958383574,0.648788458804712,0.898844769301108,1.06380844553591,1.03668845501292,0.875857523998076,0.80981022171078,0.568448773103277,0.507977135197104,0.560630984055884,0.623974188458414,0.26835074648624,0.289245224093275,0.500614235473336]
["21.58_828.55087m/z",828.55087,21.58,"Pos","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)",1,"M+Na","HMDB",3.40797,0.00210471965906602,1.32136192990836,6.72072183115802,8.88050596919623,7.18745922614378,6.72072183115802,5.50196370974951,7.47090262656933,7.38944001613486,5.53064075523921,6.7185824037683,7.24606408050118,6.48652562308033,8.65533244691253,9.15727148984128,10.3585319894744,8.01881063174483,8.21110711880803,11.0665511432246,9.08991731048379]
["21.59_896.53821m/z",896.53821,21.59,"Pos","Hebevinoside XIV",2,"M+NH4","HMDB",1.1437,0.00225885783120923,1.33685855762098,0.735899351342656,0.983793345390161,0.676721072151977,0.735899351342656,0.638478116906701,0.788224022516746,0.847880601208564,0.652864545822942,0.745142181586285,0.801984919205378,0.684734163131845,0.945006357303247,0.982561679146502,1.08658251236336,0.851824087877862,1.03480600094015,1.27738377678519,1.00744818557313]
["21.61_743.59576m/z",743.59576,21.61,"Pos","DG(18:1(11Z)/24:1(15Z)/0:0)",1,"M+K","HMDB",1.20749,0.00660826993535038,0.628457512481483,0.780548322888337,0.490541457373998,0.689293074100198,0.780548322888337,0.69944903257303,0.657420396839362,0.795350225900354,0.675863543146512,1.1056280916072,0.840833896051706,0.968886188661309,0.543442526429024,0.372065649573193,0.506004791877249,0.489816683763227,0.281703303828432,0.390524334240924,0.371888180618623]
["21.65_776.57887m/z",776.57887,21.65,"Pos","Leukotriene b4 ethanolamide",1,"2M+NH4","HMDB",2.94597,0.000248753957701053,0.612014955246404,3.64051936000295,2.22805229318587,3.33335096439042,3.64051936000295,4.00683271777703,3.56761875134181,3.46542217401017,3.78842300690535,3.81072180497782,3.51126610061804,3.63960729082623,2.30397612738601,2.29366036547137,2.68044401477208,2.20159649464637,1.00275306899495,1.41001453904157,2.29236644434839]
["21.82_830.56593m/z",830.56593,21.82,"Pos","PC(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)",1,"M+Na","HMDB",3.56069,0.0154597951593933,1.24313613373164,11.04172388208,13.7263659365012,14.2521629260206,11.04172388208,8.80463699250703,10.720864954499,11.8707212722265,8.9785729347666,10.7489403132258,11.9161677813145,10.2149869665675,13.6684497181909,13.5272886089894,13.033298839313,12.5875550837742,15.5782162814916,17.5139366289795,13.6871953647038]
["21.87_752.55675m/z",752.55675,21.87,"Pos","PE(P-18:0/18:1(9Z))",0,"M+Na","HMDB",1.63522,0.000892581866367614,0.612778869215037,1.13527941490871,0.695675236110866,0.750868137826005,1.13527941490871,1.21365292883482,0.811167401941753,1.21020217813666,1.22164217616191,1.44560768365574,1.29381539780407,0.974409923394478,0.667676702508517,0.663649998813094,0.920067763742749,0.702154336147369,0.442501630515821,0.537940250738135,0.657001283026768]
["21.9_730.57369m/z",730.57369,21.9,"Pos","PE(P-18:1(9Z)/18:0)",1,"M+H","HMDB",2.77201,0.000274754091187024,0.521858430349806,2.57196033396558,1.34219918280524,1.8581975592614,2.57196033396558,2.82463385488008,1.71853682433896,2.77198162973304,2.66454678703971,3.367050389378,2.79877529312788,2.20802125317523,1.46326946076849,1.22089953203561,1.61637240057438,1.51372090259746,0.678683426784376,0.811532849503907,1.22509363700248]
["21.91_720.55169m/z",720.55169,21.91,"Pos","PC(15:0/16:0)",3,"M+H","HMDB",1.15572,0.0106530116330674,0.750977843161809,1.17333013193961,0.881144931800772,1.16132734851721,1.17333013193961,1.32282809722905,0.759549036267919,1.16774923367533,1.25610931102666,1.40506149731964,1.14068639954148,1.18494635368539,1.05845122300772,0.81524266150042,0.79382412620393,1.09201438176945,0.629179481721492,0.663128966372213,0.812372260145553]
["22.01_575.50290m/z",575.5029,22.01,"Pos","Montecristin",1,"M+H","HMDB",1.08248,0.0241270563869341,0.764115988191781,1.15213010408249,0.880361033006491,0.821237752633629,1.15213010408249,1.39117913167813,0.960537164901019,1.07404890402208,1.48998026237134,1.22677669536951,1.10115081760173,1.30870796015152,0.96163672540635,0.879443536803852,0.832760829401043,0.88777691141535,0.618017810936688,0.648849488656258,0.905695001280867]
["22.02_716.52303m/z",716.52303,22.02,"Pos","1-Palmitoyl-2-linoleoyl PE",1,"M+H","Metlin",2.59585,0.0212577862389866,0.694328812805653,5.05377875303303,3.50898420177585,3.44517930524461,5.05377875303303,6.74510240532114,4.21922764646108,4.47975564631488,6.64634211457106,5.4744130293243,4.3664311239941,5.79693489561728,3.6331152625736,3.75186670088925,3.48270751782915,3.71271263307145,1.77994558237548,2.16239879672381,3.75219222512679]
["22.13_808.58339m/z",808.58339,22.13,"Pos","1,2-Dioleoyl PC",1,"M+Na","Metlin",7.88155,0.0210911636190602,1.39243873225325,32.2520234737104,44.9089666783353,60.7026239654347,32.2520234737104,22.192191356027,38.783956221701,28.0170748958581,20.4678979383481,27.3441062448101,28.256313693794,39.0990116831521,50.5427539511966,41.5818878403639,44.0086642275997,49.6417809342606,40.3259137425063,52.0331557748888,42.0385652727146]
["22.28_744.58872m/z",744.58872,22.28,"Pos","Leukotriene b4 dimethylamide",0,"2M+NH4","HMDB",7.67743,0.00185422459029067,0.677498799471494,32.260750182684,21.8566195188182,21.901348231837,32.260750182684,35.0825092503566,28.0628503484855,34.9146106355997,33.1321454453955,37.8188662614616,34.9129211056523,28.759039929654,23.7724992364494,23.2984862077126,25.6123587242135,24.416619935569,12.6667857990718,13.176077138529,23.1510891793463]
["22.3_796.58514m/z",796.58514,22.3,"Pos","PE(22:4(7Z,10Z,13Z,16Z)/18:0)",0,"M+H","HMDB",3.65628,0.00041657662077324,1.22980400749446,9.01995441140267,11.0927760825604,9.70628292011182,9.01995441140267,7.95344524342375,10.028663096333,9.09915408802817,8.07893130682852,9.12281902728752,9.15038519780586,11.4022554479438,12.1797109110474,9.92851743576106,11.010487503753,11.9127577973231,9.85547699131753,12.4456947246644,10.0073078486726]
["22.35_700.52686m/z",700.52686,22.35,"Pos","PE(16:1(9Z)/P-18:1(11Z))",1,"M+H","HMDB",1.48911,0.0170467550118397,0.754272344712024,1.83342456713846,1.38290144710815,1.3060598465458,1.83342456713846,2.18311725245264,1.76691892984706,1.72539744081505,2.22831158128489,1.82325957151028,1.80090734751348,1.25467635357857,1.24983736914594,1.65842716455537,1.97214892501928,1.27072093913376,1.00477125916755,0.90255218276525,1.75007738349948]
["22.38_730.53712m/z",730.53712,22.38,"Pos","PE(20:2(11Z,14Z)/15:0)",1,"M+H","HMDB",1.38497,0.0144311538806309,0.678754611377015,1.3116653021681,0.890298872429823,0.877013470186016,1.3116653021681,1.73331629246258,1.28874764185557,1.11818071447015,1.67039859453864,1.33291193110018,1.16108847056353,1.50282197780617,0.868041839129776,1.00090651371179,0.93422829957656,0.883093502828149,0.453173478911158,0.523592700693811,0.956532666781163]
["22.44_792.58664m/z",792.58664,22.44,"Pos","1-o-hexadecyl-2-o-dihomogammalinolenoylglycero-3-phosphocholine",1,"M+Na","HMDB",2.5294,0.0101227647875413,0.811192971387841,6.25506827338528,5.07406741892122,4.21224660593553,6.25506827338528,6.41454631122219,5.79049134531802,7.07390396869956,6.61009077063735,6.79034469898609,6.8938542128982,5.39597116780977,5.001383278638,4.46034136045911,6.41442220777043,4.85114023247542,4.41109456523044,5.32046085493116,4.73772568405543]
["22.46_770.60408m/z",770.60408,22.46,"Pos","Dihomo-&gamma;-Linolenoyl PAF C-16",2,"M+H","Metlin",5.93815,0.000467223274545579,0.62359857976033,15.2950743349046,9.53798663257517,10.4857296680049,15.2950743349046,15.3120458449635,14.0949099153673,17.0824839437521,14.4091141780175,18.2675248085769,17.4137119856498,13.2352366995171,10.6530471406779,8.516500773552,12.020274056338,10.9704876228154,5.90835195224065,6.32994275463242,8.67005206082786]
["22.51_726.54220m/z",726.5422,22.51,"Pos","PE(18:3(6Z,9Z,12Z)/P-18:0)",1,"M+H","HMDB",1.73442,0.00747116111735711,0.737282929419815,2.18963377602546,1.61437960474463,1.33108371459655,2.18963377602546,2.71199600342767,2.07558206367817,2.11482007327098,2.73542628666299,2.19881173612032,2.15971655442157,1.7063407072135,1.5400936839073,1.77706169851724,2.11701035647823,1.56451317676278,1.22133770989856,1.27893306572711,1.70974643945229]
["22.52_727.54587m/z",727.54587,22.52,"Pos","10,20-dihydroxyeicosanoic acid",4,"2M+K","HMDB",1.2721,0.00552259448944974,0.703155794792263,1.00947012881336,0.709814770744809,0.584426371970695,1.00947012881336,1.28467614909993,0.947428745445225,1.00078155322535,1.31086198243695,0.958890899596005,0.97922519991939,0.752918686887228,0.700696874080174,0.774712516058752,0.924654982101649,0.671375427924419,0.556894553805286,0.52755274882788,0.769712376273082]
["22.53_832.58209m/z",832.58209,22.53,"Pos","PC(22:4(7Z,10Z,13Z,16Z)/16:0)",1,"M+Na","HMDB",4.76409,0.0184359889758037,1.26733363875095,18.6060014300802,23.5800114949889,17.361281930693,18.6060014300802,16.1299992540488,16.5736304063559,22.3141980464565,17.4718220515628,18.9393954353594,21.4516828860851,18.3743223799717,24.7251840635129,22.0644793217764,18.1141092434515,21.5944939990612,30.8270625050058,30.0821181962241,22.8583222509072]
["22.75_748.59523m/z",748.59523,22.75,"Pos","1-o-beta-d-glucopyranosyl-2,3-di-o-palmitoylglycerol",3,"M+NH4","HMDB",1.25282,0.0329627201218899,0.814171627512577,1.98665213099981,1.61747579879745,1.74605628953927,1.98665213099981,2.29065075830158,1.56084794374738,1.89802224782163,2.20092055370135,2.29247317326969,1.9175939506178,2.17474983151911,1.74796144083021,1.55628071644789,1.78501608484707,1.81204569622519,1.20747809942596,1.05673118011946,1.5995433409647]
["22.77_767.53701m/z",767.53701,22.77,"Pos","PC(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))",5,"M+NH4","HMDB",1.65766,0.00385538316918439,0.662162075799607,1.4519437975877,0.961422118955037,0.874392133237958,1.4519437975877,1.68296696549065,1.26414431247133,1.32891321375045,2.17592699382918,1.46922127772805,1.3680416866063,1.10445491848763,0.941010638330861,1.01122515329707,1.16160781542478,0.84240972337463,0.7554526894463,0.799968989837017,1.07524702344201]
["22.78_766.53561m/z",766.53561,22.78,"Pos","PE(22:2(13Z,16Z)/14:0)",0,"M+Na","HMDB",2.53468,0.00807491058428793,0.622855902273999,3.34157107507403,2.08131726697793,1.84596112473551,3.34157107507403,4.54327734909228,2.56347320701119,2.87693241749812,5.3097239173641,3.25971742549618,2.99191208432081,2.22447320015911,1.96757039419877,2.37931428398417,2.49936468319593,1.96344368407463,1.58593256810429,1.64268609058498,2.38775323152156]
["22.83_744.55906m/z",744.55906,22.83,"Pos","1-O-beta-D-Glucopyranosyl-2,3-di-O-(8-hexadecenoyl)glycerol",4,"M+NH4","HMDB",4.42887,0.0149018687162296,0.722304639219581,15.0556788428398,10.8747866747833,10.4537272908401,15.0556788428398,19.3024146463861,13.7647979721494,12.5352555567808,19.5018214793079,16.6012634857156,13.2304714686986,14.7527611304365,10.3314713502103,11.8808833367123,13.4624241623704,10.8702021334533,6.78428604670845,7.15280441933781,11.7634608190372]
["22.89_825.59037m/z",825.59037,22.89,"Pos","3-o-sulfogalactosylceramide (d18:1/18:0)",4,"M+NH4","HMDB",1.50714,0.0135189703596675,1.21162608250076,2.21976560331096,2.68952590200959,1.7337984450394,2.21976560331096,2.24771925089964,2.13960523051578,2.43702111335845,2.22927235923605,2.29434432081279,2.45659850331459,2.49673829038655,2.68142684300552,2.41206428918824,2.28752145096616,2.41198117703537,3.23528768410815,3.41921600211877,2.57197147926794]
["23.03_794.60239m/z",794.60239,23.03,"Pos","PC(o-18:0/18:2(9Z,12Z))",1,"M+Na","HMDB",3.631,0.00853357936811682,0.732665283366518,9.4386041966995,6.91533761835925,5.4801500684152,9.4386041966995,11.6309866160075,6.57101409002442,10.1652865764611,11.5121368381175,10.5932389407463,10.1174162471245,7.75447238805391,6.94570419754226,6.52655694516249,8.05744478611831,6.54287543668118,6.39507795942054,6.55372168512151,6.54684754877382]
["23.06_772.62051m/z",772.62051,23.06,"Pos","Arachidonoyl serinol ",1,"2M+NH4","HMDB",5.5105,0.000902113641481139,0.581335452982801,12.2686595126407,7.13220673527275,8.38170965334109,12.2686595126407,14.9703884925607,8.86656603786938,12.2172240886547,13.9472536569276,14.7693177576187,12.7281569015131,11.2870696418851,7.39311902237833,6.66551870800511,8.71812211773455,8.2942867288022,4.47047312234259,3.68038242242446,6.54868211860967]
["23.08_728.55859m/z",728.55859,23.08,"Pos","PE(P-18:1(9Z)/18:1(9Z))",0,"M+H","HMDB",3.66744,0.00424466156214966,0.639843202010854,6.56547794156845,4.20087642886478,4.34487085140206,6.56547794156845,8.64951675788784,4.42990767038618,6.24711025966692,8.65721605826939,7.17400718432952,6.45571680903722,4.651616037601,3.73816667219993,4.4006091691258,6.45083913524809,3.85452325363778,3.41855823424062,2.78593603684326,4.3067628920218]
["23.3_605.54863m/z",605.54863,23.3,"Pos","DG(16:0e/18:0/0:0)",1,"M+Na","HMDB",1.09269,0.00621227552192407,0.703687815527473,0.754631026655834,0.531024658676698,0.498903702926559,0.754631026655833,0.937127907013151,0.574457445912832,0.705008885423539,1.02103010211269,0.856854783659185,0.689034359542878,0.568362169694334,0.498366653332942,0.614348163171865,0.628167620730281,0.475602711032771,0.424392350105441,0.425328590947537,0.613629010398412]
["23.42_663.49652m/z",663.49652,23.42,"Pos","DG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0/0:0)",1,"M+Na","HMDB",1.63049,0.000948292134382789,2.48786952403845,0.306810263238708,0.763303903573797,0.0970575449506747,0.306810263238708,0.119606707618608,0.718134511940977,0.381247623831262,0.105154871625487,0.393496614320858,0.33297396838309,0.782170011793687,0.537125253559685,0.786512619692263,0.617487088548656,0.537443049565426,0.782496943522967,1.25581158291507,0.807384678992614]
["23.71_665.51537m/z",665.51537,23.71,"Pos","DG(22:5(7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/0:0)",2,"M+H","HMDB",1.59274,0.00139468094898549,1.55962363781189,0.81530423606057,1.27156775856823,0.865578248799814,0.81530423606057,0.641354643684134,1.26295920132655,0.756745892046799,0.619817511116435,0.810471085727223,0.750203069723038,1.35855113122174,0.999738533190367,1.66355741983309,1.19850283605373,1.00016040632733,1.10876397930698,1.22828424307143,1.61498351954119]
["24.08_668.56863m/z",668.56863,24.08,"Pos","SM(d18:0/12:0)",2,"M+NH4","HMDB",1.64813,3.47864229254691e-06,1.77722914902156,0.474242772272091,0.842838078594756,0.546591929642077,0.474242772272091,0.361295932143831,0.612537800219838,0.42682526998564,0.337397178117265,0.576272711722208,0.458778584073782,0.828882258226065,0.96478506757113,0.891470123529818,0.809122603542817,0.87491324998494,0.621032954463675,0.882556101987027,0.869942269452579]
["4.67_592.26086m/z",592.26086,4.67,"Pos","N-ribosylhistidine",6,"2M+NH4","HMDB",1.03588,0.034410105218843,1.57537246087249,0.406845085594302,0.640932543686573,0.260574139796375,0.406845085594302,0.20352714258562,0.21070347893504,0.650748703736256,0.19103941369581,0.680182136031332,0.65114058437968,0.484565326498639,0.853234719155002,0.617489688683751,0.412050833308859,0.736579210170616,0.52646128997802,0.905681628564713,0.591397653132982]
["5.44_417.11737m/z",417.11737,5.44,"Neg","Phlorizin",3,"M-H20-H","HMDB",1.63019,6.38651406056475e-06,0.313190847519923,0.569042566144681,0.178218923565765,0.233016732580187,0.569042566144681,0.709496932324088,0.461929101132725,0.633799134380436,0.681849251813014,0.658189958788177,0.605016851994139,0.207262151092448,0.206770539908917,0.165920529869349,0.177422920867671,0.211234511649327,0.146913344156629,0.150997580908376,0.1592298100734]
["5.7_201.02373m/z",201.02373,5.7,"Neg","1-(3-Hydroxy-5-methyl-2-thienyl)ethanone",5,"M+FA-H","HMDB",1.0537,0.00411740535587724,0.549280722240763,0.479915252714382,0.263608196625314,0.200034340643697,0.479915252714382,0.685984106792688,0.518538867959856,0.502472174548852,0.606133291828441,0.353504057262278,0.492739929964862,0.40278561188329,0.336974284132117,0.164073412202326,0.3393099463612,0.3357252189213,0.166410678160698,0.193639503749636,0.169946917591946]
["6.4_363.01465m/z",363.01465,6.4,"Neg","6-Thioinosine-5'-monophosphate",6,"M-H","HMDB",1.07554,1.81343018360205e-05,0.433565830784988,0.292455542913102,0.126798730430794,0.259944045490812,0.292455542913102,0.252474660313206,0.233120909728351,0.345568023623071,0.246806377025473,0.361855091506241,0.347419692704557,0.065070392038373,0.141042985211543,0.112699488185774,0.244542565570383,0.127887014810224,0.102833181432386,0.105225771170738,0.115088445026928]
["6.56_755.42904m/z",755.42904,6.56,"Neg","Pipercide",2,"2M+FA-H","HMDB",1.1279,0.000593279329125744,0.602752899005045,0.512678449684368,0.309018421804665,0.525404064787252,0.512678449684368,0.592148891988909,0.632653232983292,0.497172561034678,0.58149279015178,0.295501539668738,0.464376067175927,0.277899931097994,0.229605653570479,0.344585217318113,0.470817469528589,0.223456819069997,0.281993401033063,0.299708523558056,0.344080359261027]
["6.6_345.22494m/z",345.22494,6.6,"Neg","Quinestrol",9,"M-H20-H","HMDB",1.01351,0.000266348961279349,0.392626632090271,0.269070537025939,0.105644258747215,0.210358131486566,0.269070537025939,0.31292568112081,0.0807927934034342,0.30913838813645,0.305530503396378,0.366945641716469,0.297802619921467,0.0452316614942207,0.137567152166711,0.0814060688645428,0.154764826762088,0.143752447783395,0.109828916676554,0.089949306198218,0.0826536900319919]
["6.65_337.03681m/z",337.03681,6.65,"Neg","Grevilline c",6,"M-H20-H","HMDB",1.04669,0.00130471268791886,0.551799720245055,0.478532280311129,0.264053978403909,0.352846052948669,0.478532280311129,0.518927817415796,0.772503044098301,0.394368605162979,0.492031496647097,0.392566701198133,0.426482244706929,0.204833039278858,0.337414517887239,0.231274236878866,0.21642595482411,0.321638337242375,0.385809035650426,0.170971223604231,0.244065481865167]
["6.95_353.02086m/z",353.02086,6.95,"Neg","1-(2-Thienyl)-1,2-propanedione",14,"2M+FA-H","HMDB",1.81185,0.00114792582057804,0.228433343705272,0.762103608619884,0.174089875566894,0.454220872641629,0.762103608619884,1.42197577068831,0.4730203488464,0.543785417216023,1.37722897643443,0.511004729297133,0.553489145215268,0.256751604132069,0.189558740513191,0.12286752257227,0.247477826737329,0.193926587364495,0.145453118280709,0.11154589085592,0.125137714079168]
["6_387.20074m/z",387.20074,6,"Neg","Kiwiionoside",3,"M-H20-H","HMDB",1.01449,6.19426164449815e-07,0.279063802618343,0.203276359097905,0.0567270737522732,0.152356105451325,0.203276359097905,0.251974332625271,0.180350454475894,0.21226679155611,0.252010567113335,0.170427504960403,0.203548757502998,0.0154614507233008,0.0963081351913792,0.0448953593355976,0.0814365771167396,0.0972984138624585,0.0586313533492624,0.0179179683870611,0.0418673320523866]
["7.04_257.17568m/z",257.17568,7.04,"Neg","Ethyl 10-undecenoate",1,"M+FA-H","HMDB",1.80193,4.47082457972278e-06,0.330013337642562,0.72448530605366,0.239089813923762,0.397044730917098,0.72448530605366,0.987854165852872,0.612653135655971,0.725413869189647,0.948059244034027,0.698849755444776,0.701522241281226,0.245978537446548,0.291496024584338,0.255359153751269,0.19842203932897,0.292509812784566,0.18598809191416,0.187508787876472,0.255456063703769]
["7.52_325.12689m/z",325.12689,7.52,"Neg","S-Propyl-L-cysteine",2,"2M-H","HMDB",1.22073,5.28234993025512e-06,0.426150568854023,0.376829971205079,0.16058630659029,0.246522440082362,0.37682997120508,0.404949974231759,0.26906552914914,0.470335608079634,0.402895835695743,0.40713747222422,0.436902938972699,0.120306486467495,0.203590846475437,0.150181557693484,0.17815274447143,0.198890613318105,0.106601531183719,0.174202686883109,0.152763986229537]
["7.65_541.26371m/z",541.26371,7.65,"Neg","Cortolone-3-glucuronide",3,"M-H","HMDB",1.16753,0.00263515008293447,3.29055718081149,0.113121884219054,0.372234028423935,0.12662884049339,0.113121884219054,0.0758236665161517,0.188073913213146,0.111184020716171,0.0839096786570812,0.108587384147511,0.0976456857899299,0.369721222140803,0.151740256583884,0.613467420219163,0.3645141403284,0.156527981451248,0.177357338073355,0.534874354114291,0.60966951448034]
["8.07_469.29098m/z",469.29098,8.07,"Neg","(3beta,17alpha,23s)-17,23-epoxy-3,29-dihydroxy-27-norlanosta-7,9(11)-diene-15,24-dione",11,"M-H","HMDB",1.33994,5.58800548923291e-05,0.504869600244528,0.580846742492391,0.29325186268547,0.419780088672501,0.580846742492391,0.471583831321221,0.670197620724953,0.732819312115179,0.470070577813585,0.559333712368939,0.742142054430359,0.188457845991195,0.38019945413837,0.257456290311734,0.274432712065046,0.388175811137008,0.26396123021611,0.348180192359534,0.245151365264762]
["8.21_526.24627m/z",526.24627,8.21,"Neg","N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-glycine",2,"M-H20-H","HMDB",1.27979,0.0237393845738495,0.490590318048821,0.619047138655237,0.303698532640086,0.479637873414703,0.619047138655237,0.352754946095043,0.265991866443008,1.05946760173631,0.333991428455127,0.811881192511091,1.02960506193138,0.198324482791927,0.317039257706411,0.172292583564856,0.538172224679682,0.306798721712407,0.538598341071511,0.176685199345427,0.181677450248463]
["8.24_229.05415m/z",229.05415,8.24,"Neg","(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone",1,"M+FA-H","HMDB",2.19575,6.24187799039821e-05,0.439586481730401,1.29485170621032,0.569199305895602,1.27181534929475,1.29485170621032,1.13125259136943,1.11742574273756,1.53969960210982,1.09072173679918,1.36127242504561,1.55177449611589,0.302259558868765,0.841656874938596,0.391237724393865,1.13686206015306,0.809856253945057,0.356862477089208,0.292496784076439,0.422362713699817]
["8.26_528.26112m/z",528.26112,8.26,"Neg","N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-glycine",5,"M-H","HMDB",2.45462,0.000265175931560177,0.201215370291233,1.16034336475315,0.233478919803782,0.356176602898913,1.16034336475315,1.37460736886702,0.328198943498137,1.68201979014416,1.35597143934045,1.41438057962289,1.61104882890051,0.148264277173826,0.244705107423558,0.155593519183256,0.319945323383671,0.239671959443662,0.474479451062847,0.132798224267323,0.15237349649211]
["8.27_529.26389m/z",529.26389,8.27,"Neg","Cinncassiol d2 glucoside",3,"M-H","HMDB",1.36404,0.000219967205354517,0.210781865593304,0.358964813493864,0.075663273070589,0.116174166901524,0.358964813493864,0.426727055654461,0.113057565129235,0.525630283822093,0.411113232133365,0.433813972654414,0.486237418161956,0.0576984584343345,0.0735798861218634,0.0506500813865377,0.0975518549095051,0.0799134804742232,0.148922530914872,0.0442669058147832,0.0527229865085924]
["8.42_420.18011m/z",420.18011,8.42,"Pos","Sulforidazine",6,"M+NH4","HMDB",1.23708,0.0337910210414229,0.76707849633382,1.63478298047562,1.25400687049536,2.40178184613607,1.63478298047562,1.44417241282437,2.13800794509877,1.37168568826483,1.38931381771902,1.48375711662591,1.2147620366604,1.52115638903498,1.28295839433038,1.29483635586005,1.43902236950444,1.09931197316399,1.03704383335335,0.991835474946251,1.36589017376946]
["8.49_471.29328m/z",471.29328,8.49,"Neg","Procaine",9,"2M-H","HMDB",1.31554,0.00153570502470841,0.679430736274979,1.07923001658528,0.733262044778596,1.37807309526465,1.07923001658528,1.0076234531219,1.10874822454453,1.1152673027604,0.957996836938227,0.924883573684948,1.06201762978231,0.421918653474843,0.898867250401291,0.594977090175312,0.582529248637236,0.91382566837971,0.880685849612854,0.979297527020233,0.593995070527289]
["9.08_665.35233m/z",665.35233,9.08,"Neg","Physagulin D",3,"M+FA-H","HMDB",1.01125,0.0203929611795616,0.416931088938975,0.380625737343846,0.15869470314897,0.33704593175525,0.380625737343846,0.197566780900946,0.118094047613458,0.658165851509227,0.191886358378708,0.508130227578267,0.653490963671066,0.0721212781595577,0.326763049155786,0.0659588217620221,0.14152567519398,0.337234374569764,0.197097883798554,0.0690840747591891,0.059772467792907]
["9.13_624.33611m/z",624.33611,9.13,"Neg","Glycochenodeoxycholic acid 3-glucuronide",5,"M-H","HMDB",1.01608,0.0443907750976798,0.527680197782406,0.479730710551762,0.253144396226248,0.305689527524391,0.479730710551762,0.231768116386576,0.233365335224685,0.816359349476044,0.229745940460483,0.778471083322408,0.762715621467748,0.186666707383204,0.335149243455756,0.124498853626405,0.439288597755344,0.342230606834977,0.27637529694563,0.204561723736365,0.116384140072304]
["9.52_360.19097m/z",360.19097,9.52,"Neg","Saxagliptin",5,"M+FA-H","HMDB",1.00035,0.00029735431079741,0.48832568390151,0.316932268630735,0.154766166829561,0.444966917429542,0.316932268630735,0.348166891199937,0.119819203983241,0.343408245745362,0.339726614128141,0.298874113787572,0.323563894141352,0.127464119475193,0.191519911551281,0.148073250027897,0.13959396839638,0.195495421704122,0.182193737000912,0.111111766567284,0.14267715991342]
["9.53_359.18822m/z",359.18822,9.53,"Neg","Tricyclodehydroisohumulone",5,"M-H","HMDB",2.19649,0.000260335965628243,0.475271344953964,1.48786508136496,0.707139638330365,2.07809312730795,1.48786508136496,1.63515692995229,0.535667715077315,1.60177045204995,1.61268586716829,1.40603717596608,1.54564430203285,0.558895825166469,0.891661273955894,0.669701923423607,0.646028701858227,0.878674856343213,0.825877908764551,0.526409760830206,0.659866856300752]
["9.57_478.22228m/z",478.22228,9.57,"Pos","Demethylbatatasin iv",0,"2M+NH4","HMDB",1.90051,0.011829451927306,0.747099193918805,3.06126765932776,2.28707060065348,4.2537200327221,3.06126765932776,2.57040342002087,3.85057217420234,2.6746021646006,2.61211457994331,2.95479848850546,2.51266275529964,2.79787729397163,2.2426727298692,2.28747320920687,2.59203153232702,2.1051567022583,1.78515313152226,1.78525653311851,2.70094367295403]
["9.8_309.12327m/z",309.12327,9.8,"Neg","Dictyoquinazol b",2,"M-H20-H","HMDB",1.57403,9.12715124731114e-05,0.205357161146765,0.495015611672063,0.101655000736304,0.321075046930564,0.495015611672063,0.766420954084474,0.138487780532828,0.499205517068243,0.721904686640559,0.533881188293124,0.484134108154649,0.110681352336519,0.162934935452189,0.0674509919289019,0.0878897202978045,0.161308600612484,0.0917669867539144,0.0636106271365925,0.067596791372028]

{"sheet":"original data of urine","index":1,"n_rows":527,"n_cols":29,"rows_kept":527,"flags":["formulas_cached_only"]}
["ID","m/z","RT(min)","Ion mode","metabolites","ppm/Da","adducts","databases","VIP","P-value","FC(B/C)","Average(C)","Average(B)","S-3-1","S-3-2","S-3-3","S-3-4","S-3-5","S-3-6","S-3-7","S-3-8","S-4-1","S-4-2","S-4-3","S-4-4","S-4-5","S-4-6","S-4-7","S-4-8"]
["2.49_74.02471m/z",74.02471,2.49,"Neg","Glycine",1,"M-H","HMDB",2.22063,0.000114419192936504,0.374032487232492,5.89023960912145,2.20314097139504,4.21573768412955,8.84111796552817,5.10183756440759,4.14790982399654,5.89023960912145,5.21503947641596,8.28520093891836,5.42483381045395,1.29343744360444,1.77527145541009,2.20314097139504,3.66474268586325,1.82611083477774,1.5348585499369,3.52318533414679,1.80438049602605]
["3.95_91.05384m/z",91.05384,3.95,"Pos","1,3-Dihydroxyacetone",0.00074,"M+H ","Main Standard Library",1.23708,0.000121703579041923,0.558007499174352,2.71551530984273,1.51527790701501,2.09373029944219,3.36121199004525,3.31467839526835,1.92030340738726,2.71551530984273,2.75928909435008,2.68650380036902,2.87289018203693,1.04745462811228,1.33664688781007,1.51527790701501,1.97451453952988,1.51229190303014,1.17403152751991,2.21654218179631,1.34546368130646]
["1.92_93.03451m/z",93.03451,1.92,"Neg","Phenol",1,"M-H","HMDB",1.13646,0.00163358325895347,1.59578332374354,1.80231532906825,2.87610474625447,2.31168698247342,1.37507744987237,1.98353133900826,1.53270820899224,1.80231532906825,1.89821550292076,1.49339305446223,2.02159476574844,3.19348490064149,2.86895686891259,2.87610474625447,2.11778978303826,2.8129512398245,4.32330321568253,1.98705721029918,2.82919000538273]
["0.57_96.96185m/z",96.96185,0.57,"Neg","Phosphoric acid",0.00025,"M-H ","Main Standard Library",2.48551,0.000393307933488033,0.557473372775924,11.0555192741119,6.16315761752838,8.27780762375999,16.7510192211383,11.235710293811,7.07199233361043,11.0555192741119,10.2761051312407,11.8413455955684,11.9346547196543,4.88902298013414,6.56786401301746,6.16315761752838,6.49069896583319,7.10283994906157,4.94244934441504,6.54399826635711,6.60522980388016]
["1.6_100.07530m/z",100.0753,1.6,"Pos","delta-Valerolactam",4,"M+H","Metlin",1.0758,0.000516976023966143,0.489573598022465,1.7708332377828,0.866953199719098,1.57110077532887,1.641657310894,1.11399544045647,1.98961296881438,1.7708332377828,2.22906598138502,1.54510831093052,2.30529187667036,0.415170923971599,0.748543877963081,0.866953199719098,0.759997310677718,1.82831632152165,0.686397947069364,0.772638656570576,0.857607360259697]
["3.45_107.05014m/z",107.05014,3.45,"Neg","P-cresol",1,"M-H","HMDB",1.24855,0.0314328554606453,0.421257635283311,3.25595412815007,1.37159553661543,7.09032358478299,5.42126926519105,1.62716293151793,1.08530169503559,3.25595412815007,1.65323475258691,4.11875785543084,1.79562881250519,0.724072563815474,0.888843177552307,1.37159553661543,2.33809275140768,1.17094485817563,1.00418382506825,2.26880541838618,1.20622616190251]
["2.77_109.02942m/z",109.02942,2.77,"Neg","Pyrocatechol",1,"M-H","HMDB",1.79534,3.38915679487993e-08,2.78625190521099,1.17890082600551,3.28471467251267,2.17932362572599,0.843788937497245,1.06419630092405,1.07057823641187,1.17890082600551,1.05980896098124,0.904963623838728,1.12964609665947,2.50690833680844,3.55383606705565,3.28471467251267,3.23099411004142,3.53189865917798,3.48538877758871,3.12584648737306,3.55813026954342]
["0.76_112.05106m/z",112.05106,0.76,"Neg","Creatinine",-0.00284,"M-H ","Main Standard Library",1.54912,1.1574795536156e-05,0.589905058388888,4.08103973918437,2.40742598563093,3.36445001228556,3.95800234701953,4.05149685525016,3.70673092491035,4.08103973918437,4.16100655944798,4.99664131327816,4.32895016209885,2.37807452333962,2.14021492111589,2.40742598563093,3.24016782703476,2.19885914786177,1.55639603289673,3.07935599669077,2.25891345047695]
["2.97_123.04493m/z",123.04493,2.97,"Neg","1-(2-Furanyl)-2-propanone",2,"M-H","HMDB",1.01573,6.59929971452929e-05,0.649327844350569,2.28745178692187,1.48530613785783,1.92911223013517,2.65839957100733,2.37370499035933,2.29733525022727,2.28745178692187,2.17731865507444,2.12636805936015,2.44992375228939,1.47603808196181,1.24866776340766,1.48530613785783,2.03561773847397,1.24132065901636,1.13884702228827,1.96996659186362,1.28668510799314]
["2.73_128.04926m/z",128.04926,2.73,"Pos","2-Methyl-5-nitroimidazole",0.00376,"M+H ","Main Standard Library",1.38446,6.4102751505996e-06,2.94722769089442,0.689593858435482,2.03239011505178,0.809295582822302,0.609766304196665,0.866175349246909,0.672227978933419,0.689593858435482,0.745822640956968,0.400632207542889,0.723236945349222,1.17495234840079,2.37696867229378,2.03239011505178,2.53069065065986,2.04976729219347,1.31833664903902,2.56820374533399,2.20781144744157]
["2.97_134.05957m/z",134.05957,2.97,"Pos","5-Hydroxyindole",-0.00103,"M+H ","Main Standard Library",1.16093,0.000966362006925134,0.524038734978594,2.31285134547609,1.21202369327683,1.60904232733051,3.53210603116191,1.75512383655554,1.47115164582295,2.31285134547609,2.44297541782666,2.85381416950117,2.52574599013387,0.530386339598454,1.30664235233192,1.21202369327683,1.25164874978957,1.37994266667904,1.39180526573161,1.23067731931431,1.39306315949288]
["5.35_134.09577m/z",134.09577,5.35,"Pos","1,2,3,4-Tetrahydroisoquinoline",-0.00063,"M+H ","Main Standard Library",1.1089,4.01050064894806e-05,3.45138662033077,0.376932185699554,1.30093870249547,0.607333382358225,0.268956943470007,0.348069292010711,0.345898607506286,0.376932185699554,0.355802365074089,0.390635729628079,0.32182897984948,1.09531067736723,1.4958817406936,1.30093870249547,0.703587489229542,1.61935914935413,1.9183264900075,0.724938661897737,1.54916670891857]
["2.7_135.03004m/z",135.03004,2.7,"Neg","Threonic acid",1,"M-H","HMDB",2.56139,7.74037138944569e-07,2.42293827870477,3.09001282473748,7.48691035474511,5.72430240958293,2.16178673801604,2.84917842384422,3.46917346938923,3.09001282473748,2.59491749749278,2.02808651051567,2.80264472432152,5.50991786357434,7.88723156002078,7.48691035474511,8.25221628503835,7.84247057769751,6.80749555232663,8.09542964480201,8.01361099975612]
["5.33_135.08095m/z",135.08095,5.33,"Neg","Allyl hexenoate",0,"M-H20-H","HMDB",1.43486,0.000541102057581568,2.735364355161,0.923303995929032,2.52557283944199,2.94422467340522,0.392265994288893,0.800000556419404,0.52603180546947,0.923303995929032,0.767416530731304,0.233283081552181,0.799905329636747,1.91383252764909,2.83638123273778,2.52557283944199,1.95929432428879,2.73785833191704,3.47142678352555,1.92960806026831,2.8306086157074]
["0.92_137.04545m/z",137.04545,0.92,"Pos","Allopurinol",-5e-05,"M+H ","Main Standard Library",1.38206,1.76678343362779e-05,0.447246215197293,2.42047687307245,1.08254912045423,1.82631709325074,2.90468839038495,2.14569883923336,2.05403667577287,2.42047687307245,2.29642351530501,3.42908011689033,2.2870934806699,0.766812433499298,0.858485541112752,1.08254912045423,1.49955205384226,0.983524722678753,0.876555321662908,1.58148890580606,1.01142486457759]
["6.21_144.04506m/z",144.04506,6.21,"Neg","1H-Indole-3-carboxaldehyde",3,"M-H","HMDB",1.11243,0.000377137651918716,2.69935101542472,0.555013022944992,1.49817496706051,0.592913422177696,0.374388090915262,0.529018755701485,1.01803286243892,0.555013022944992,0.502446737803788,0.339557046391429,0.52873424518636,2.11098458370045,0.947548013286339,1.49817496706051,2.05641704321882,0.916746213758277,1.42520408858615,2.09541488539741,0.934909941476124]
["1.07_144.04643m/z",144.04643,1.07,"Neg","2-Hydroxyquinoline",-0.00097,"M-H ","Main Standard Library",1.37529,0.000645023289617856,0.796445131739067,7.55063247090911,6.01366447300648,7.51119743559068,8.11769514056131,7.10474264775911,8.64507905051883,7.55063247090911,7.0101950409295,7.11149113028818,7.35402685071615,5.07224345790115,6.33747392973216,6.01366447300648,6.69160407487469,6.31958405677192,4.46157274773099,6.74488885974272,6.46828418429174]
["3.23_144.08106m/z",144.08106,3.23,"Pos","3-Methylquinoline",-0.00054,"M+H ","Main Standard Library",1.04947,0.00634415076320544,2.90047396864877,0.642416441358404,1.86331216519203,0.504945038449136,0.182955335127364,0.323174871246304,0.273389068028035,0.642416441358404,0.44855698986494,2.33184161085914,0.432052175933911,1.4161743688918,2.62296397675712,1.86331216519203,0.737841750129563,2.7327842569439,2.26172049212818,0.726151806979114,2.54554850451453]
["0.81_144.10152m/z",144.10152,0.81,"Pos","1-Aminocyclohexanecarboxylic acid",3,"M+H","Metlin",1.94348,0.0471278782183612,0.672400834618576,11.5606666466533,7.77340190195684,9.18945219822939,12.1659588941272,6.92603664821152,10.0071009464477,11.5606666466533,11.6061201280431,20.0700833906934,10.959914320821,4.85262525066519,8.28880697175052,7.77340190195684,4.70498610136178,13.9639196099448,8.40025458327406,4.97166007784717,9.23156071885433]
["4.62_146.05968m/z",146.05968,4.62,"Pos","4-Hydroxyquinoline",-0.00172,"M+H ","Main Standard Library",3.61529,2.9859101393062e-05,4.43976125041959,2.67982423744441,11.8977798073409,3.78600865180003,1.99592803939091,2.81971230551795,4.52491849597539,2.67982423744441,2.39975647160763,0.907954713458863,2.32449098436009,16.1728642307519,8.3494436216285,11.8977798073409,16.8641684733122,7.49625569005581,9.74492975174555,16.8901756808433,7.76662120304924]
["4.64_147.08025m/z",147.08025,4.64,"Pos","Benzylideneacetone",1,"M+H","HMDB",1.26732,3.36668734589249e-05,2.61040112104371,0.703998499505074,1.83771847232113,0.824290997378308,0.7628958213414,0.614472068884424,0.876748848187144,0.703998499505074,0.736351294926457,0.365433018783269,0.747797447034517,2.27082497201256,1.38132709875593,1.83771847232114,2.42726568607349,1.39057420389487,1.4783924328005,2.56519993432704,1.35044497838356]
["8.17_149.09668m/z",149.09668,8.17,"Neg","Dihydronepetalactone",0,"M-H20-H","HMDB",2.25118,0.000526262091563718,2.47156747499819,2.78053980416079,6.87229174290162,7.2887088331697,1.4411314031961,2.51703856248482,1.85211933723451,2.78053980416079,2.44602377850833,1.39275486516891,2.52600184936312,5.65932336967011,8.58340180821366,6.87229174290162,4.59953713149713,8.41394270223165,7.95194313594766,4.41724441763124,8.48064963511991]
["2.29_150.05597m/z",150.05597,2.29,"Neg","3alpha,4,7,7alpha-tetrahydro-1H-Isoindole-1,3(2H)-dione",1,"M-H","HMDB",2.0205,1.38172292942429e-05,3.1439072391889,1.33340962866427,4.19211618436179,2.03810952262996,1.02847779232009,1.4035662018262,1.36226175532513,1.33340962866427,1.46217314596938,0.570810395400088,1.46846858717904,1.32992388992707,4.56899116474347,4.19211618436179,4.78181216532523,4.61309351790226,4.61753612797203,4.73074620567207,4.70271021899041]
["1.13_150.08915m/z",150.08915,1.13,"Pos","Nor-psi-tropine",1,"M+Na","HMDB",1.31524,1.6142541499107e-07,1.99780670010489,1.20429720783792,2.4059530307362,1.5832676139309,1.17247392177109,0.83018890698799,0.914258651037884,1.20429720783792,1.12873272403203,1.6761740497841,1.12498458732142,2.35894791742238,2.31026959341973,2.4059530307362,2.15492674310867,2.85480072449284,2.43489482200897,2.37126609042463,2.35656532427617]
["5.16_150.09091m/z",150.09091,5.16,"Pos","Synephrine",-0.00019,"M+H-H2O ","Main Standard Library",1.10554,3.63540527953146e-08,3.00722381724927,0.389889674912368,1.17248551649605,0.667638114319879,0.299104489657069,0.532112488088689,0.3802335534256,0.389889674912368,0.320438879710567,0.208908756086953,0.320791443097821,0.912412459330822,1.28554860320037,1.17248551649605,1.205004154731,0.993466871249711,1.22144619507546,1.27255522748916,1.31696510439582]
["0.79_151.03695m/z",151.03695,0.79,"Neg","Mandelic acid",-0.00405,"M-H ","Main Standard Library",1.31076,0.0464449477696395,0.457519929293994,3.2854926008174,1.50317834242192,2.11915627928505,3.83894179120311,2.08258335594395,1.63370263773265,3.2854926008174,2.29134860918102,8.70375265948388,2.32896287289218,1.4556604430315,1.53531712540636,1.50317834242192,1.65960020903159,1.53997310119093,1.1372247277818,1.61782067047725,1.57665212003401]
["2.32_151.03865m/z",151.03865,2.32,"Pos","3-Carboxybenzadehyde",0.00035,"M+H ","Main Standard Library",1.35006,0.000272181400522554,2.16306746506018,1.23991937904051,2.68202926810014,0.844588201460141,2.11814116107266,1.22082681456348,1.57263963888754,1.23991937904051,1.14230834052436,0.625213512298885,1.1557179844765,1.19445407764446,3.30008064014372,2.68202926810014,2.33339947127009,3.33883811779832,2.88739865762768,2.45591112073641,3.2641227914803]
["1.11_151.06102m/z",151.06102,1.11,"Pos","7-methylhypoxanthine",3,"M+H","HMDB",1.35548,1.7580418086194e-06,0.622210955569654,3.35512824845563,2.08759755353032,3.20120790056326,3.48559897704447,3.06394390910284,3.49147617516606,3.35512824845563,3.38559233487955,3.52547437467748,3.33260406775578,1.15781250695548,2.14332205042437,2.08759755353032,2.28271464714096,2.02369473134133,1.98300361405572,2.42960330144713,2.59303202334724]
["2.77_153.01936m/z",153.01936,2.77,"Neg","2,4-dihydroxybenzoic acid",0,"M-H","HMDB",4.6669,2.98834714584224e-08,2.97187866310638,7.21258867479076,21.4349383883734,14.0707566571468,5.05080719351029,6.43733843446982,6.47501302515651,7.21258867479076,6.29227604090675,5.60572755532337,6.55620181702176,16.5914730275259,23.0728730818385,21.4349383883734,20.6176842751312,23.1017368809367,23.3022359802528,20.1795482114665,23.1790172614623]
["2.6_156.05027m/z",156.05027,2.6,"Pos","5-acetyl-2,4-dimethylthiazole",16,"M+H","HMDB",1.87353,0.00165199386119839,0.627790812573732,8.5611609901806,5.37461821460001,5.73018461037672,10.0663513094548,11.8317730287653,7.51610620816077,8.5611609901806,9.68815178739234,5.40311444986746,9.69244553724674,4.16264811222265,5.70578920292958,5.37461821460001,4.95091050233407,6.21742914009902,5.26613982804115,5.18394670618444,6.13546401038918]
["0.65_157.03350m/z",157.0335,0.65,"Neg","Allantoin",-0.0026,"M-H ","Main Standard Library",1.17921,0.000186752895271522,0.669174493260455,3.23411713387021,2.16418869420255,2.58693742346394,3.95292143271807,2.94881732967462,3.30259350156695,3.23411713387021,2.90424041891029,3.90371693206693,3.03959289869064,2.11315149521308,1.85844835663781,2.16418869420255,2.70223430881986,1.8158762289546,2.1200672283562,2.71365883731239,1.8258844041239]
["4.56_163.11092m/z",163.11092,4.56,"Pos","Dihydroactindiolide",-0.00138,"M+H-H2O ","Main Standard Library",1.10372,0.000196330451212952,0.416202004506587,1.55891031176288,0.648821596601699,0.818376004385975,1.31118174873944,1.33209097592011,1.59265424074738,1.55891031176288,2.22813828284362,1.49347202640696,2.13645890329666,0.416050407013169,0.669726183601544,0.648821596601699,0.496210567436373,1.18180531966342,0.503733719527063,0.519500779709597,0.754724199260722]
["1.59_164.05789m/z",164.05789,1.59,"Neg","1-Methylguanine",-0.00151,"M-H ","Main Standard Library",1.5878,9.40082759865142e-08,0.459729990814869,3.05246296781995,1.40330877215859,2.10467483237523,3.33556562169759,3.05560377907537,3.2958187189512,3.05246296781995,2.97694425937607,3.4467660508277,3.15186751243647,1.30097209365383,1.32111955761195,1.40330877215859,1.70369062077362,1.33571519760799,1.08807205749918,1.72229451751285,1.35129736045073]
["0.64_165.03979m/z",165.03979,0.64,"Neg","1-Methylxanthine",-0.00241,"M-H ","Main Standard Library",2.09187,1.17118698894901e-08,0.355493254051987,4.50302157718591,1.60079379354013,5.75368126513109,4.96445646217153,4.29689973374889,3.76178413567951,4.50302157718591,3.96132158726338,4.49227484310694,4.29073301320003,1.321285960541,1.6355752759398,1.60079379354013,1.98132670054421,1.60990498548434,1.03064155572147,1.96380459853038,1.66301747801971]
["6.32_170.06119m/z",170.06119,6.32,"Pos","Indoleacrylic acid",3,"M+H-H2O","Metlin",1.02963,0.00754839272020134,2.3566952443876,0.741718994219291,1.74800562634855,2.40292974464759,0.443570748471185,0.699401761444651,0.136169940527882,0.741718994219291,0.581371819597329,0.354763334308404,0.573825610537993,3.09282886980854,1.62101465567202,1.74800562634855,1.49014450214751,1.51371466706408,1.07312263700559,1.66273216424725,1.78248188849488]
["2.58_171.10995m/z",171.10995,2.58,"Pos","Gly Ile",18,"M+H-H2O","Metlin",1.25141,5.15573843915527e-06,3.92598829096668,0.375024994576562,1.47234373752742,0.519089528057345,0.363518815675916,0.278359248150785,0.408864917759806,0.375024994576562,0.345832893019192,0.349323377715629,0.36018618165726,1.10969747832243,1.83411156001021,1.47234373752742,0.977537081138805,1.43375696110308,2.22811182871613,1.05189280097381,1.6712984524275]
["2.73_174.05777m/z",174.05777,2.73,"Pos","Atrazin-desisopropyl",0.00297,"M+H ","Main Standard Library",2.37101,8.20328788262627e-06,2.96340413771218,2.01654192570778,5.97582868651252,2.59057598025586,1.39574766027342,2.59596006745284,1.87984010917518,2.01654192570778,2.27931856069071,1.14431686439125,2.2300342377152,3.4871803941676,6.99945447156157,5.97582868651252,7.26722707938739,5.9058944777114,3.78445660981958,7.50774926589619,6.8788385070439]
["0.95_174.12333m/z",174.12333,0.95,"Pos","L-NIO",2,"M+H","Metlin",3.59038,7.89060362667323e-06,0.728423184168109,34.0317097944394,24.7894864111506,29.8528190856044,34.2394605086978,35.5678063723793,32.5754880663913,34.0317097944394,36.2236573808424,33.6506712938837,36.1120658532772,18.2888172334838,24.4734359751634,24.7894864111506,27.6255409090899,25.7893968066537,23.0490402148714,28.7315838054217,25.5685899333701]
["1.94_175.12291m/z",175.12291,1.94,"Pos","N-methyltryptamine",0,"M+H","HMDB",1.41077,0.000163379744179753,6.53411738280215,0.285503499012333,1.86551337574732,0.275160150861911,0.222354508702443,0.345042668046022,0.192669128780471,0.285503499012333,0.275354600620743,0.404906228355036,0.283037207719707,1.61598269416603,2.2511435591741,1.86551337574732,0.622480950716778,2.46198160377785,3.13883168701036,0.668019392771826,2.30015374261432]
["4.06_175.12310m/z",175.1231,4.06,"Pos","D(-)-Arginine",0.0044,"M+H ","Main Standard Library",1.04942,3.42167321041641e-05,2.89051547039102,0.434084396367143,1.25472766315457,0.753122585858439,0.320619585307636,0.335935068184723,0.460787084213515,0.434084396367143,0.34672592260407,0.453097817763877,0.368302710637744,0.907972483289736,1.63708064631438,1.25472766315457,0.777629632971006,1.40150795209871,1.66534044784194,0.857980865845843,1.5355816137204]
["5.8_175.14598m/z",175.14598,5.8,"Pos","Irisone",-0.00172,"M+H-H2O ","Main Standard Library",1.05826,9.52362571029672e-05,3.73381108943308,0.313545912923893,1.17072120672165,0.432082720652254,0.320528271240517,0.32374823919253,0.304721519224479,0.313545912923893,0.249673882979267,0.27404783020529,0.290018926972917,0.84988825018889,1.54283658485012,1.17072120672165,0.626623821579861,1.17826431646706,1.68951087549192,0.611578223807853,1.69634637466586]
["0.8_177.02383m/z",177.02383,0.8,"Neg","Esculetin",0.00363,"M-H ","Main Standard Library",1.24504,0.000456923955370922,0.637879569271282,3.30829963075785,2.11029674348816,2.55602677372776,3.51335655758402,3.1896220826941,2.74815763534464,3.30829963075785,3.17631847892393,4.46225767350742,3.51235821352308,1.97360019349534,1.85167577663243,2.11029674348816,2.81336476940294,1.87995193165165,1.44466077937885,2.80005925557567,2.00876449828024]
["2.41_178.01989m/z",178.01989,2.41,"Neg","S-Carboxymethyl-L-cysteine",11,"M-H","HMDB",1.02766,0.00183458861452797,4.49484699742285,0.284965482284981,1.2808762424178,0.410560001459683,0.292658331217486,0.322493628005314,0.187338844678976,0.284965482284981,0.355627217745784,0.142215352173718,0.283865000713909,1.55921026349616,2.01521023615578,1.2808762424178,0.200633557708403,1.96951171392183,0.887736253562412,0.362650104312948,1.97118156776707]
["1.95_178.05141m/z",178.05141,1.95,"Neg","1-(4-Methoxyphenyl)-2-nitroethylene",2,"M-H","HMDB",6.07819,0.00687614483102872,1.22235663820891,143.429342332897,175.321808714555,163.584319988038,114.66401699913,158.640364086258,143.55249041123,143.429342332897,149.702788051082,116.956007538177,156.905409256362,155.780435042147,162.019522077693,175.321808714555,209.856362396831,160.60425713831,167.210601994485,208.695807122558,163.085675229862]
["3.26_180.06548m/z",180.06548,3.26,"Pos","3-Methylcrotonyl glycine",0.00138,"M+Na ","Main Standard Library",3.62155,0.0162451599541692,1.28557968401968,42.988195009379,55.2647501567339,55.3766875906979,28.3522962334396,50.9214229412084,37.873318062516,42.988195009379,48.2749504098112,32.7977748689016,47.3209149590783,48.6642935904078,55.9014195014073,55.2647501567339,67.3199578827857,44.7748626326563,49.1944548988803,68.6670684802298,52.3311941107701]
["1.5_180.08781m/z",180.08781,1.5,"Pos","Tricine",0.00041,"M+H ","Main Standard Library",1.10852,0.00689182541725709,0.783272601683324,5.44199363687092,4.26256451429598,5.28894650079542,5.61160912348749,4.76586307978447,5.60777181773028,5.44199363687092,5.43941349009024,6.01764941511069,5.36270203109782,3.45155631497161,3.49018842168596,4.26256451429598,5.70737920821695,4.46419612870723,3.33629954871498,5.76470129112574,3.62363068664936]
["5.14_181.05388m/z",181.05388,5.14,"Neg","2',4'-dihydroxy-6'-methoxyacetophenone",18,"M-H","HMDB",2.82127,0.00138029019427689,2.35625350172639,5.13082230201674,12.0895180158628,6.52768359033906,1.70708550026611,7.60645198650747,4.0901524088449,5.13082230201674,7.05920742725451,1.31122024234876,7.61395495855633,12.2765904945914,16.1178908907544,12.0895180158628,5.78013098670405,15.5167707894025,12.741980409911,5.80578626052165,16.3874762791544]
["2.54_181.06068m/z",181.06068,2.54,"Pos","Nicotinuric acid",0.00028,"M+H ","Main Standard Library",1.54367,0.00534922031913032,1.55227827135311,4.26422312618128,6.61926090297264,3.06043566814437,7.10947792128329,4.25334584517202,4.16927617874053,4.26422312618128,3.8269807809382,3.68297388628469,3.74707160270586,9.95290974650278,6.59949917506519,6.61926090297265,4.71350048349078,7.27721626529073,6.32612808703992,4.87340457494455,6.59216798847457]
["1.79_181.99223m/z",181.99223,1.79,"Neg","Saccharin",3,"M-H","HMDB",5.97939,9.49106201823833e-09,5.95376841306507,4.71974806691108,28.1002869584001,10.9881502453332,2.66892469512323,4.49050072156767,4.41885142356729,4.71974806691108,4.21979752353745,1.7681228651135,4.48388899413525,28.2892887521106,31.4688523514068,28.1002869584001,21.0528273136906,30.0338799883165,33.3564354168792,20.7208384082986,31.7798864780987]
["2.29_182.04585m/z",182.04585,2.29,"Neg","2-aminobenzoic acid",0,"M+FA-H","HMDB",1.81988,0.00160124925085706,0.674556935663294,8.9834809155406,6.05986935797675,5.75330313319698,9.31819049249904,10.1569260798041,11.0600837141959,8.9834809155406,9.78455823314107,6.67540783046868,10.1358969254784,3.56161192153992,6.7083644780399,6.05986935797675,6.38299432391163,6.87363459762469,5.84997605427008,6.38536276668335,6.65714136376766]
["3.45_187.00708m/z",187.00708,3.45,"Neg","P-cresol sulfate",0,"M-H","HMDB",4.56814,0.0329397421023776,0.427241431261863,44.2314355153001,18.8975018163236,97.5010494807037,71.4530190503611,22.0103891626734,15.6364517156093,44.2314355153001,22.3947197872931,57.057344411653,23.5670749988071,9.96126590211698,12.3755979055577,18.8975018163236,31.4250050168882,16.4083374649478,13.9052097656095,31.0697315523667,17.1373651067785]
["2.24_188.07001m/z",188.07001,2.24,"Pos","Dl-Indole-3-lactic acid",-0.00049,"M+H-H2O ","Main Standard Library",1.10402,0.000174322197619015,1.8883727215911,1.14485902872724,2.16192055991581,1.33501756757648,1.30837678381801,0.148462581573785,1.06119228541306,1.14485902872724,1.18708916568882,1.75499468968694,1.21888012733362,2.06898401081788,2.57112197535199,2.16192055991581,1.65670144207543,2.4364207693345,2.27277614516112,1.68777562328878,2.43966395338095]
["3.45_189.00405m/z",189.00405,3.45,"Neg","Oxalosuccinic acid",0,"M-H","HMDB",1.10107,0.0429370079471008,0.436873360989684,2.74944340055374,1.20115857925082,6.40484384020857,4.32169623475264,1.35133615687137,0.94679620027446,2.74944340055374,1.33627220568152,3.46757762644871,1.41758153963888,0.589828102545265,0.813933576586778,1.20115857925082,1.99687895724802,1.09060104924205,0.90010294862364,1.90473562262617,1.11202979788378]
["2.63_190.04980m/z",190.0498,2.63,"Pos","Kynurenic acid",0.0005,"M+H ","Main Standard Library",5.0501,0.00631378158510435,1.77119309303065,34.8461167573774,61.7192013196065,30.8475586245924,40.8715846344829,29.8044087013027,40.9346155208871,34.8461167573774,32.5990368335949,37.0721883475676,31.7934246392139,29.4497958605053,87.6876443807635,61.7192013196065,45.834187898537,86.4474101490959,45.0862496302637,48.2820052041326,89.2471161139474]
["0.56_191.02360m/z",191.0236,0.56,"Neg","Citric acid",0.0044,"M-H ","Main Standard Library",1.84234,6.32431400011326e-05,0.351325660843125,3.97349018111038,1.39598906373227,1.47048316471625,3.86394983324105,4.6310153911243,4.74119149837473,3.97349018111038,4.67154216338501,3.46758708310627,4.96866213382508,1.2363922244832,0.972759182971575,1.39598906373227,2.38782201823872,0.929964907812844,0.886635339752364,2.35876623773614,0.99958353513109]
["4.15_191.10829m/z",191.10829,4.15,"Pos","(+/-)-Isobutyl 3-methylthiobutyrate",9,"M+H","HMDB",1.43108,0.00181748527722896,0.562100602086703,3.92908313518457,2.20853999593596,2.69121685330214,2.75324605065357,5.20716601256173,3.68265522285128,3.92908313518457,4.95909672138227,3.33029512515079,4.87990596039022,1.81483304872351,2.20595930641581,2.20853999593596,1.49633946238588,4.01150529640723,1.91101123813536,1.65393723513132,2.36619438435259]
["2.46_193.06482m/z",193.06482,2.46,"Neg","4-aminohippuric acid",15,"M-H","HMDB",2.15454,0.00135065739838455,0.448277531995594,6.91426330319703,3.09950888912487,5.5002160029245,10.3566619648165,5.39495319027842,4.62635389561464,6.91426330319703,5.52446985997294,11.148865930972,5.84832227780022,2.03482802086529,2.43967667742014,3.09950888912487,4.86507614316465,2.49789119848878,2.44343694990494,4.86134509577817,2.5543081382521]
["1.33_194.04636m/z",194.04636,1.33,"Neg","3-Hydroxyhippuric acid",0.00056,"M-H ","Main Standard Library",1.96257,0.00976203770255933,1.95548236100508,3.88969571111648,7.60623135276539,3.66330396976974,5.5979787536752,3.11011120440512,6.28707441600129,3.88969571111648,2.86665448118964,2.62657680528249,3.07617034749191,6.10139828167735,6.36101891156036,7.60623135276539,12.4154622228153,6.31416423271051,3.04655115841345,12.4482611493333,6.5567635128475]
["2.29_194.04960m/z",194.0496,2.29,"Neg","L-methionine",2,"M+FA-H","HMDB",1.70642,0.000172957785268847,2.15501143491292,1.91312579191819,4.12280795801052,2.41670286803587,2.03081568587784,1.83489220033058,1.72810249972926,1.91312579191819,1.85842739354544,1.67344374550477,1.84949615040354,1.1636712325903,4.54627737483183,4.12280795801052,4.83389989311372,4.54910795296497,4.48120661141656,4.65028003395928,4.635212607197]
["3.95_194.08116m/z",194.08116,3.95,"Pos","N-Phenylacetylglycine",-0.00064,"M+H ","Main Standard Library",5.47995,0.000395860205765292,0.520075735697809,50.2238225075123,26.1201914401506,42.4101120016642,67.6606297082506,52.1391438787705,33.8327974326008,50.2238225075123,46.5918362462207,64.4204075952978,44.5118306897813,17.9411196639104,22.1779231627525,26.1201914401506,40.9675245566289,20.5586153573932,18.9421698664904,41.20097963046,21.0530078434189]
["7.65_194.11750m/z",194.1175,7.65,"Pos","butamben",0,"M+H","Metlin",2.01967,7.16975982426989e-09,3.3706365136431,1.1134643522535,3.75308360234562,1.87212579176981,0.914629655209229,1.12994806819771,1.05037744663473,1.1134643522535,1.07980470553922,0.7051416009492,1.04222319747463,3.72103903605995,4.1719016732987,3.75308360234562,2.94333414960119,3.82148596048969,4.51289152429963,3.15591755266268,3.94501532000752]
["0.64_195.05032m/z",195.05032,0.64,"Neg","D-Galactonic acid",-0.00148,"M-H ","Main Standard Library",2.04677,7.30622710785005e-07,0.589095840937016,6.65618857015386,3.92113300317014,5.66679031564779,5.25311329834262,7.01101474514387,7.02814168599233,6.65618857015386,6.7259718263192,7.76634166162217,7.14194645800904,3.85885081573024,4.40289746332925,3.92113300317014,3.69537972447299,4.16567152242712,3.14777436650585,3.77628026309121,4.40107686663434]
["5.9_195.16986m/z",195.16986,5.9,"Pos","Geranylacetone",-0.00464,"M+H ","Main Standard Library",1.2813,0.00179432242932623,5.57348962830014,0.327920445647154,1.82766120272197,1.06677200066183,0.106192099833349,0.226465836110774,0.28166464374778,0.327920445647154,0.213941430254844,0.208828677755993,0.191578431165505,1.43389865088276,2.75879264414922,1.82766120272197,0.310087476458754,2.80700155926231,2.33022649013077,0.308832852268215,2.84478874590179]
["1.93_197.04915m/z",197.04915,1.93,"Neg","Ethyl gallate",18,"M-H","HMDB",2.0485,5.41382682605233e-05,1.72533848801635,4.16293575689969,7.18247328451852,6.07351494536298,2.35174675084163,5.22309923436979,3.60385742155291,4.16293575689969,4.69815257212165,2.01799754639223,5.17218182765665,7.42522510954572,7.64777804596373,7.18247328451852,7.1312620599005,7.47536792222379,6.20005541437379,7.00991732545529,7.38770711416685]
["4.25_197.11796m/z",197.11796,4.25,"Pos","2,4,6-Triethyl-1,3,5-trioxane",16,"M+Na","HMDB",1.06523,7.22640238111658e-06,1.93247002652132,0.880294874518209,1.70114345950679,0.960738610210143,0.656921422791087,0.798634907176682,0.763840184794263,0.880294874518209,1.06789991916553,0.803874769855431,1.11015430763433,1.42985829010581,1.91309653543219,1.70114345950679,1.2883188395672,1.97604386251345,1.90939666429722,1.36992478549618,2.02136523913545]
["5.26_198.11544m/z",198.11544,5.26,"Pos","Deglymidodrine",15,"M+H","HMDB",1.32565,4.99808813068231e-05,3.37246823414487,0.538608891605382,1.81644137756712,0.808195798496238,0.511832419983644,0.733727351475426,0.557784239881229,0.538608891605381,0.511041327571993,0.135722927885194,0.511958175943947,0.994967937267439,2.14469691408423,1.81644137756712,1.2345798903434,2.04660431980803,2.79054316914143,1.33003344171531,2.17366397061003]
["11.78_199.16986m/z",199.16986,11.78,"Neg","8,8-Dimethoxy-2,6-dimethyl-2-octanol",0,"M-H20-H","HMDB",1.28422,6.34223710993934e-05,0.5411523022315,2.74025873514474,1.48289732323356,1.79331164096852,2.99999275611417,3.12685010405907,2.53672277298016,2.74025873514474,3.58639232932246,2.01646245215177,3.12207909041705,1.12647959382953,1.51140425523456,1.48289732323356,1.52975902918802,1.80817404991754,1.33409830979009,1.55851663082184,1.51184939385331]
["2.58_200.04734m/z",200.04734,2.58,"Pos","p-CHLOROPHENYLALANINE",0,"M+H","Metlin",4.18561,0.000113307518424629,0.523083948894898,29.0637433078341,15.2027776191295,23.4904739555953,31.7383815267462,44.2497250247492,24.8589599522544,29.0637433078341,30.0023774953445,20.0621922903806,29.0440929097686,15.2769494350813,15.5792271625039,15.2027776191295,13.9282475416628,17.1454822427807,13.102125664151,14.1177385500288,17.2696727376981]
["5.61_201.02290m/z",201.0229,5.61,"Neg","3-(acetylthio)-2-Methylfuran",1,"M+FA-H","HMDB",5.97632,1.07990384217756e-05,2.46680306302424,16.9018491275708,41.6935331986652,34.9961988384189,9.80533877874423,16.1685517408634,16.1309244836334,16.9018491275708,14.7396077631218,10.5052349554809,15.967087332733,49.0145632024966,37.6294255125148,41.6935331986652,50.4724210600815,36.8954525748114,31.6368911479124,49.2471503481675,36.9588285446724]
["1.09_201.11270m/z",201.1127,1.09,"Neg","Sebacate",-0.0002,"M-H ","Main Standard Library",1.46101,1.38108506667446e-05,1.9351459332191,1.62948455979263,3.15329041912602,1.31277439350656,1.45205333277314,1.63006431269097,1.69539378208935,1.62948455979263,1.5534310672792,2.08322532213063,1.67944970807854,3.77548485337788,2.56511342063521,3.15329041912602,3.92288959361486,2.43092089998864,2.95136350445615,3.85534390062396,2.57191676118545]
["2.56_202.04484m/z",202.04484,2.56,"Pos","Thiabendazole",0.00024,"M+H ","Main Standard Library",2.4484,0.000572470972125952,0.523730076164171,10.687934137769,5.59759256001139,8.28293102476452,11.5973942860189,17.5828178732067,8.87977120104807,10.687934137769,10.8067478089114,7.03932962169378,10.6265471487395,6.54211107051699,5.54291548249903,5.59759256001139,4.97703247918652,6.24762314106263,4.70918232394386,4.97226769754751,6.19201572532321]
["5.61_203.02570m/z",203.0257,5.61,"Neg","Sinalexin",14,"M-H","HMDB",1.53602,7.85294184040031e-06,2.50331988176309,1.08387247023589,2.71327950403718,2.23365270634771,0.636728691416376,1.00986308908598,1.0544920641654,1.08387247023589,0.947593024588454,0.687405071702896,1.01737264434442,3.22227879636929,2.46877746743876,2.71327950403718,3.28416128570202,2.38068618580863,2.07205519683874,3.15538474751972,2.40961284858308]
["11.18_203.17899m/z",203.17899,11.18,"Pos","Farnesal",4,"M+H-H2O","Metlin",1.67172,3.77368392866142e-06,2.19953849867892,1.6304562456621,3.58625128274527,2.88564337930197,1.39216252932495,1.67585999922618,1.3085582622424,1.6304562456621,1.48657441860207,1.17978909914421,1.48460603179289,3.28424629097421,4.43268450280864,3.58625128274527,2.94685930657515,3.88244666789875,3.5238041786667,2.92790724732264,4.10581078497078]
["9.12_203.17913m/z",203.17913,9.12,"Pos","(1alpha,6alpha,7Alphah)-2,4(15)-copadiene",1,"M+H","HMDB",1.61942,3.01820501498466e-07,3.54513594850124,0.680668824451661,2.41306351858766,1.40108328401497,0.551051709703323,0.664398233895903,0.548864238294215,0.680668824451661,0.566188808619093,0.493098279120835,0.539997217513289,2.09101978949452,2.57027286465192,2.41306351858766,1.97727385448596,2.36509483207554,3.3781226256034,2.01822424537509,2.4914364184272]
["13.61_205.15925m/z",205.15925,13.61,"Neg","Neryl butyrate",0,"M-H20-H","HMDB",1.55454,6.1049013694555e-06,0.529452850757518,3.74911511288132,1.98497968433311,2.64171329822996,4.06310681714255,4.63663764344192,3.43238602566822,3.74911511288132,4.13955431786991,3.02036768071672,4.31004000709995,1.5273468647921,2.03768951347038,1.98497968433311,2.17778487587982,1.9194801915312,1.99044374510547,2.26266318335049,1.97944941620232]
["1.23_208.06026m/z",208.06026,1.23,"Neg","3-Carbamoyl-2-phenylpropionic acid",6,"M-H","HMDB",1.1037,0.00835320416170481,0.714560685933402,3.81343644568782,2.72493176239413,4.06480863395033,5.13959153510845,3.04962040487051,3.08124136610909,3.81343644568782,3.04604268901911,5.08068063361081,3.23206985714646,2.39019467080158,3.19214613987992,2.72493176239413,2.71737953406959,3.09130221545821,1.78555081797269,2.69454929059111,3.20339966798577]
["4.32_208.09702m/z",208.09702,4.32,"Pos","2-Cyclohexylaminoethanesulfonic acid",-0.00348,"M+H ","Main Standard Library",1.99945,0.000221874214795994,3.09943390693419,1.49036942719394,4.61930153650299,2.49070821818604,0.0722728726575409,1.63429955245669,1.52272317745505,1.49036942719394,1.70602152968036,1.36935775097264,1.63720288894926,2.32560517472201,5.40855788185965,4.61930153650299,3.03886187638759,5.649371625612,7.19507940051645,3.08695983804875,5.63067495837447]
["3.05_209.11573m/z",209.11573,3.05,"Pos","Exo,exo-1,8-epoxy-p-menthane-2,6-diol",4,"M+Na","HMDB",1.61004,0.00189925807354052,1.74510807469156,3.21637960124796,5.61293001341106,3.48145926699338,4.87831531999628,1.94895524360314,2.97432345441996,3.21637960124796,2.11510046563873,5.12057603445057,1.9959274236337,5.93914079366235,5.77729071429227,5.61293001341106,3.86273776890816,6.0258677962602,7.79580300037722,3.8805733804846,6.00909663989261]
["4.54_209.11746m/z",209.11746,4.54,"Pos","3,4-dihydro-6-methoxy-3,7-dimethyl-1h-2-benzopyran-8-ol",1,"M+H","HMDB",1.47128,0.00175075678420886,0.66754180606627,5.45496728463691,3.64141871321894,4.61533996099299,4.21369452474825,4.79856801394412,5.29931467793128,5.45496728463691,7.14756337278339,5.00243104294373,7.10785939911463,2.85005134576725,3.8993080143935,3.64141871321894,2.95505340950042,5.17683548619893,3.665387319142,3.07636916888213,3.86692624864838]
["6.37_209.15325m/z",209.15325,6.37,"Pos","(3R,8E)-3-Hydroxy-5,8-megastigmadien-7-one",2,"M+H","HMDB",1.25308,2.64925888893344e-06,3.28032420294185,0.482143196200443,1.58158599578006,0.661012474324252,0.351801683760596,0.512287319801531,0.475625589252237,0.482143196200443,0.469620644605807,0.431910127003882,0.472744534654798,1.65580457292286,1.86326277732278,1.58158599578006,1.01548755611243,1.71358625870168,2.18906462813837,0.999588850893869,1.63430732636841]
["4.77_211.13298m/z",211.13298,4.77,"Pos","(+/-)-Jasmonic acid",0.00138,"M+H ","Main Standard Library",1.35025,0.00196538811085743,0.807024312470875,8.96814535401344,7.23751133846157,8.15314515318967,8.38118715161706,9.34658746072048,10.1078964429421,8.96814535401344,9.72860648372389,7.38732272662859,9.67227205927228,6.17160061805179,6.74463795919276,7.23751133846157,8.49341839061553,6.78750456956674,6.82862997707441,8.71655458160953,6.92023327312018]
["2.21_212.00479m/z",212.00479,2.21,"Neg","Indoxyl sulfate ",0.00219,"M-H ","Main Standard Library",9.50104,5.73477152987185e-05,0.508885301712765,134.66702003412,68.5300671208223,111.118955098531,172.62232770683,125.748189782245,95.5212520878237,134.66702003412,125.244771237732,179.280036868388,133.133607457291,29.7818877177029,68.8868601194204,68.5300671208222,80.8541974158326,69.8745849815005,79.9431325448135,79.8604353791675,70.5093716873183]
["2.05_217.01795m/z",217.01795,2.05,"Neg","2-propenyl 1-(2-propenylsulfinyl)propyl disulfide",0,"M-H20-H","HMDB",3.73592,0.0108204468200232,1.83716779334381,15.6479622185238,28.7479322193326,28.7204054095588,9.65948961494357,15.6742088590365,15.1595352818746,15.6479622185238,14.5697820656231,9.98462072807398,15.7676935705558,26.097133144974,23.358386295705,28.7479322193326,45.8900542600448,22.6288793516649,14.5198336496998,45.3434150975065,23.3978237357336]
["3.23_217.09769m/z",217.09769,3.23,"Pos","1-Methylpyrene",-0.00221,"M+H ","Main Standard Library",2.10049,0.00288770426518849,2.76543397119194,2.51509707104886,6.95533488112387,2.43405013348007,1.04013722606772,1.52287332008272,1.39040190143207,2.51509707104886,2.16776211026185,6.91310336001447,2.13735144600313,5.34765649897098,9.91987485414094,6.95533488112387,2.92224160476273,9.70433103826169,8.82710846361258,2.78344546685895,9.18268624125922]
["6.96_218.11812m/z",218.11812,6.96,"Pos","N-Deisopropylpropranolol",3,"M+H","HMDB",1.10662,2.41200985017497e-06,1.66493781422828,1.26127426013792,2.09994320981641,1.64177474035537,1.0834864274009,1.37630026686065,1.14553167657674,1.26127426013792,1.18687879280244,1.15196743193609,1.24298048503322,1.76086237084325,2.59404694154225,2.09994320981641,1.86226124783398,1.9931814154554,2.19665948324136,2.05310151682288,2.23948949297574]
["4.11_219.11644m/z",219.11644,4.11,"Pos","N-Acetyl-5-hydroxytryptamine",0.00274,"M+H ","Main Standard Library",1.13807,0.000714175810756471,1.76323020384881,1.44073940252462,2.54035523040649,1.63617612552123,1.83046921753197,0.978030143650832,1.70324521203734,1.44073940252462,1.415772771386,1.34001478604326,1.1814675615017,2.03332004722116,3.06881139944477,2.54035523040649,1.64504373259441,3.10042562311869,3.33148249362649,1.71170985430742,2.89169346253249]
["6.83_219.13677m/z",219.13677,6.83,"Pos","Ser Leu",13,"M+H","Metlin",1.15005,6.87819665738864e-05,1.75562083699916,1.2710736766192,2.23152343203381,2.03494983844304,1.03783124875126,1.3361229296866,1.05632570804146,1.2710736766192,1.29175043032518,0.919468019954665,1.22106756113222,2.26970452227489,2.17961208227697,2.23152343203381,2.67288487449359,2.12588474007726,1.57929008304089,2.67850185033836,2.1147858717347]
["4.52_223.14541m/z",223.14541,4.52,"Pos","&alpha;-Dodecene oxide",2,"M+K","Metlin",1.39185,0.00203370455093997,1.9062976333478,1.95850203674984,3.73348779756306,4.41839301655892,0.328795949631368,1.39047679567706,1.4616591050456,1.95850203674984,1.35734056778261,3.37104321012296,1.38180561243039,3.5382542259746,3.9931360799138,3.73348779756306,3.58498751341811,4.08447812960321,3.56780954819799,3.45286459746937,3.91288448836436]
["1.41_224.05642m/z",224.05642,1.41,"Neg","Methyl N-formylanthranilate",0,"M+FA-H","HMDB",1.78082,2.18748974515035e-05,1.83905869986597,2.7312156122662,5.02286583294792,2.79815286941684,2.28492570644313,2.85622578121329,4.06661804331787,2.7312156122662,2.71949656676403,1.4822233515028,2.91086696720547,3.59783500338312,5.76291004103943,5.02286583294792,4.68668078777501,5.51503422979504,4.89838671651474,4.71261450943647,5.98659954269161]
["3.54_224.09154m/z",224.09154,3.54,"Neg","6-Benzyladenine",-0.00186,"M-H ","Main Standard Library",2.25658,0.000429907456832198,4.17091019908853,1.29608179196874,5.40584076497536,2.16484239828333,0.786228006958138,1.36743917380215,1.20787803508188,1.29608179196874,1.29588610978792,0.907384366855828,1.34291445301195,2.73959772243214,6.91890624086241,5.40584076497536,2.62249903760142,6.7478772833059,9.23130868065216,2.59870854998125,6.98198783999226]
["4.62_225.11186m/z",225.11186,4.62,"Pos","2-Amino-1methyl-6-phenylimidazo[4,5-b]pyridine",-0.00164,"M+H ","Main Standard Library",1.66487,0.00539742378252342,0.630504199349869,6.6857660944506,4.21540359842207,7.15209691208603,6.98081247825981,4.93599740809986,5.99274543936475,6.6857660944506,7.78082352477391,6.24640256976368,7.71148432880614,2.28599476221727,3.96659913923718,4.21540359842207,3.38547972951026,8.68249715427607,3.88584475527342,3.36743511223733,3.93397453620299]
["0.68_226.01630m/z",226.0163,0.68,"Pos","Cystathionine ketimine",8,"M+Na","HMDB",1.33857,0.00699821915475119,1.7074200682877,2.39154793629246,4.08337694069778,4.10602541613417,2.2773090890631,0.966407934379853,3.5443453217613,2.39154793629246,1.95580979106166,1.9572305308303,1.93370747081683,2.76658387156573,4.47318733554082,4.08337694069778,5.44299091772515,4.08819320589589,2.56171458267846,5.7540970358054,3.49687163567303]
["5.22_226.11077m/z",226.11077,5.22,"Pos","Cytokinin b",9,"M+H","HMDB",2.03655,6.51310319547324e-06,2.97727317160103,1.45581882658525,4.33437033510397,2.6802414744919,1.07927342576784,1.57244500740158,1.28808929648361,1.45581882658525,1.3425075617887,0.843493148389068,1.38468187177408,2.92667820856572,4.85384086480498,4.33437033510397,3.36271265533783,4.75437727199973,6.05136390485305,3.45178343377257,4.93983600639393]
["12.9_227.20093m/z",227.20093,12.9,"Neg","8,8-diethoxy-2,6-dimethyl-2-octanol",1,"M-H20-H","HMDB",1.22052,1.26271408267391e-05,0.550274806438302,2.44816441393314,1.3471631990062,1.80725967580852,2.75239634095617,2.7858944182238,2.48598100668016,2.44816441393314,2.8983925739496,1.72267603592947,2.68455084598424,1.01672679822177,1.38102305940074,1.3471631990062,1.39218526644084,1.57887678530919,1.30650717282134,1.41282812350474,1.34199518734476]
["7.9_228.10219m/z",228.10219,7.9,"Pos","2'-Deoxycytidine",0.00449,"M+H ","Main Standard Library",1.59535,4.47641647400161e-07,4.1032842468432,0.555589280826857,2.27974074373179,1.14678723048144,0.397124342990845,0.488088322326404,0.561692620217617,0.555589280826857,0.483963402869978,0.3878458870552,0.42362315984651,2.51180707962527,2.5945388784291,2.27974074373179,1.49636003501939,2.29835749777755,2.93883131445728,1.5987032169713,2.51958718384261]
["9.95_228.19509m/z",228.19509,9.95,"Pos","altretamine",9,"M+NH4","Metlin",1.45413,1.26850239520094e-07,0.443216116546461,2.61477276897218,1.15890943231529,2.34952165653194,3.22612513545255,3.01661631391772,2.44301495542607,2.61477276897218,2.6242927255038,2.00138645229403,2.64245214367917,0.803371968950852,1.3807797594694,1.15890943231529,1.28603089540144,1.22194055688355,1.02263319398101,1.29240028350119,1.10520936801958]
["8.18_229.05372m/z",229.05372,8.18,"Neg","(+/-)-3-[(2-methyl-3-furyl)thio]-2-butanone",1,"M+FA-H","HMDB",9.7632,0.000417869331269855,2.39862074306806,54.166837852717,129.925700859931,140.069590966096,28.3718560729719,48.422195434292,36.7547538424786,54.166837852717,47.9572675973211,27.9579609477478,49.6342401081122,107.491564011164,157.110438899001,129.925700859931,92.8217422549512,155.726338194583,149.838887446495,89.0598248137857,157.43111039954]
["4.73_229.14191m/z",229.14191,4.73,"Pos","Traumatic Acid",7,"M+H","Metlin",1.26716,7.86774418628134e-05,0.689167461356332,4.15981062212854,2.86680612617543,4.14448672056261,3.82183016618039,4.26051034455909,4.85170600191917,4.15981062212854,4.24552321368509,3.67473077699522,4.11988713099825,2.5521024870704,2.35954958643516,2.86680612617543,3.68411804721601,2.43266090559,2.96492395303165,3.73376200241149,2.34052590147333]
["0.95_229.15316m/z",229.15316,0.95,"Pos","Pro-Leu",-0.00124,"M+H ","Main Standard Library",1.99565,0.0416624059371533,0.763810532957965,17.5760017735708,13.4247352819412,17.9632533014266,22.4496231513516,10.9732121386943,17.9146411702962,17.5760017735708,14.5221465863134,25.203824691521,14.0053113753926,9.21434719222347,14.3300287855848,13.4247352819412,13.9799768287059,16.7917340418822,10.2016403118672,14.4956609942874,14.9597588190379]
["2.39_230.01407m/z",230.01407,2.39,"Neg","Paracetamol sulfate",5,"M-H","HMDB",1.17701,0.0169070240906359,1.48411480028873,2.61494420021569,3.88087738946928,3.40938535070179,1.21379750201371,3.31190714996867,2.43055890553189,2.61494420021569,3.1336665170099,1.3720153482733,3.43327862801061,2.44583540394184,3.2554659848754,3.88087738946929,5.03046297075465,3.26516205504251,4.89220854734208,4.94830410830921,3.32870265601931]
["8.18_231.05196m/z",231.05196,8.18,"Neg","Hexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'h)-furan]",0,"M-H","HMDB",2.98321,0.00019869869275127,2.85357273747888,3.76716309926448,10.7498739176976,9.95579358724565,1.80177237777876,3.40584121208017,2.43878839989625,3.76716309926448,3.38599941473088,1.92026175390753,3.46168494921209,9.4731349151354,13.7371180032661,10.7498739176976,6.67190448395158,13.415169893823,11.8796221255711,6.47013643289174,13.6020315692441]
["6.33_231.13251m/z",231.13251,6.33,"Pos","Clasto-Lactacystin &beta;-lactone",7,"M+NH4","Metlin",2.47317,8.74917504909142e-09,1.67711334261797,5.83725456288811,9.78973751167726,6.19389951897075,5.27062570710767,6.44849502779542,5.70743656004761,5.83725456288811,5.76876681174704,5.86514121572212,5.60641709882615,9.53599844678045,9.68527949720915,9.78973751167726,10.503057280158,8.74078807258165,8.75083242949994,11.308028890615,10.0041779648966]
["8.32_231.13800m/z",231.138,8.32,"Pos","N-(&beta;-ketocaproyl)-L-Homoserine lactone",7,"M+NH4","Metlin",1.05958,7.44768347197113e-05,1.53565662306922,1.68058970148983,2.58080870575478,1.2846434915402,1.63684085909387,1.80363499556911,1.37708495451638,1.68058970148983,1.57994831126077,2.52029684539741,1.56167845305105,2.32540751776565,2.83515049371224,2.58080870575478,2.2868551475382,2.63261711025426,2.97748200292777,2.27838207664126,2.72976659144407]
["6.32_232.13297m/z",232.13297,6.32,"Pos","1-(m-methoxycinnamoyl)pyrrolidine",1,"M+H","HMDB",1.02109,1.0753224545501e-07,1.61756749949185,1.1153632519627,1.80417534650239,1.16320434675494,1.02578849846589,1.21224979071494,1.09287246100631,1.1153632519627,1.15369837339727,1.10295322465473,1.05677606874479,1.81223264992144,1.74395404997454,1.80417534650239,1.90845283804468,1.6114819623922,1.54187285321135,2.15544519693434,1.85578787503821]
["3.56_233.04890m/z",233.0489,3.56,"Neg","7-hydroxy-2-methyl-4-oxo-4h-1-benzopyran-5-acetic acid",14,"M-H","HMDB",1.06517,0.000213520467713793,3.01847701118712,0.469300288913828,1.41657213342987,0.483232848876477,0.372376040491525,0.435001893646317,0.465073744113526,0.469300288913828,0.408926643764717,0.691645077090137,0.428845774414097,1.56760385834586,1.94326075283595,1.41657213342987,0.589682056581611,1.77746673920863,1.58793818958643,0.605140322397027,1.84491301505356]
["8.51_233.08449m/z",233.08449,8.51,"Neg","Aloesol",11,"M-H","HMDB",1.85638,0.00155400011975323,3.06267151193181,1.56251438272528,4.78546828695644,1.19792531349654,1.58480087198136,1.98452880487744,1.11970855353904,1.56251438272528,1.80532964194675,1.26757718729561,1.97773030594023,6.68934856087941,6.80301446767437,4.78546828695644,1.57868125212979,6.59009446531087,3.4282044646317,1.61933982763207,6.78959497043687]
["4.43_233.09219m/z",233.09219,4.43,"Pos","Nalidixic acid",-1e-05,"M+H ","Main Standard Library",3.08633,0.00873160710900444,1.2828565177068,28.5457437255561,36.6200933911175,34.2819809266776,32.0447734398519,35.3804869235448,23.2044001630815,28.5457437255561,29.8086817209377,12.9510545144284,32.1488283903708,34.058223918946,37.1189494080266,36.6200933911175,37.7814189415109,35.6736807695063,38.7502504904062,37.4523099038045,35.5058203056222]
["6.01_233.15349m/z",233.15349,6.01,"Pos","1,3,11(13)-eudesmatrien-12-oic acid",0,"M+H","HMDB",1.73202,0.000133724701239689,1.91254537872725,2.49462638433545,4.77108616301183,2.46332407240906,2.38492721801622,2.81595774215072,2.52022631409826,2.49462638433545,2.55246749501996,2.3691343787872,2.35634746986675,5.03585344483532,4.67910314380554,4.77108616301183,6.39770583976234,3.79211067311154,2.69527949233174,6.34299198912982,4.45455855810652]
["6.57_233.15361m/z",233.15361,6.57,"Pos","Thr-Leu",0.00431,"M+H ","Main Standard Library",1.10458,0.0457090869280436,1.40790081953416,4.10332529675014,5.77707504810978,3.51109332346684,2.66154522056211,2.78273872272722,5.02221924350779,4.10332529675014,4.95014911679311,7.10862048860911,2.68691096158482,6.84293206568098,8.05151341758721,5.77707504810978,4.41451126265771,4.28380196084794,7.49072693262279,4.90639486930273,4.44964482806909]
["1.81_234.09978m/z",234.09978,1.81,"Pos","Muramic acid",8,"M+H-H2O","Metlin",1.10406,0.000220933521775202,0.489740314227398,1.8073095570665,0.885112350383928,1.36098868218126,1.99619309426279,0.826853214772314,2.29118374022549,1.8073095570665,2.14907983501566,1.87158145247789,2.15528688053013,0.60992035691297,0.769196180759232,0.885112350383928,1.11387917792256,1.24531239051896,0.845377663382004,0.823977613163003,0.788123070028762]
["9.64_235.13293m/z",235.13293,9.64,"Pos","(10S,11S)-Pterosin c",0,"M+H","HMDB",1.24131,2.69986423508995e-09,2.75686545497052,0.563913427354162,1.55463344746672,0.90510955748015,0.39816259170376,0.528755424852248,0.554483898604085,0.563913427354162,0.531257767800502,0.512227641368581,0.517397109669811,1.4611132692455,1.69733530711725,1.55463344746672,1.46109695251819,1.47733990569682,1.79863817495814,1.33065970019204,1.65625082253909]
["7.17_235.16881m/z",235.16881,7.17,"Pos","Procurcumenol",2,"M+H","HMDB",1.34176,1.06482595246437e-08,2.06852037465305,1.10969528796899,2.29542731282034,1.20886329997697,0.920269069874464,1.07112642988067,1.08278034665846,1.10969528796899,1.04642382638153,1.47189334689241,0.966510696118445,2.41396357591088,2.26855047357524,2.29542731282034,2.56302320753859,1.99066754588221,2.09318908327544,2.61752806790942,2.12106923565062]
["9.63_236.10439m/z",236.10439,9.63,"Neg","4-hydroxydebrisoquine",1,"M+FA-H","HMDB",1.00073,1.2436527736074e-05,0.536952474185758,1.59840619751479,0.858268162509417,1.32962589177083,1.82636275237705,1.78791848402367,1.46790989863547,1.59840619751479,1.95886538952998,1.05889671798636,1.75926424828019,0.689175917154294,0.929442073622934,0.858268162509417,0.83138756333893,1.03150595265477,0.728611081585027,0.870891149082422,0.926863400127547]
["1.94_237.12311m/z",237.12311,1.94,"Pos","Ala Phe",1,"M+H","Metlin",2.09437,0.000217377104473351,6.86393583890465,0.60187455803248,4.13122834940403,0.724652680936763,0.482448293206946,0.587154978594306,0.410777371809462,0.60187455803248,0.558323094466212,0.881101143061596,0.568664344152073,3.76112794902556,5.06600722726503,4.13122834940403,1.22464892526235,5.47813417365951,6.95938322550096,1.28036471948935,5.14893222562546]
["3.87_238.11121m/z",238.11121,3.87,"Pos","3-hydroxy-carbofuran",16,"M+H","HMDB",1.69544,6.31775642098741e-06,2.6989242851226,1.15994349353403,3.13059966406892,2.58798896868188,0.835307046294341,0.84036464362705,0.776215407345852,1.15994349353403,1.03049643798594,1.05263722449313,0.996594726309991,2.48582553940952,3.09512664930883,3.13059966406892,2.92374226243853,3.09355805989072,4.34888212158744,2.91452580709079,3.05253720875664]
["17.09_239.23500m/z",239.235,17.09,"Pos","Myristic Acid ethyl ester",2,"M+NH4","Metlin",1.42631,0.00148739492201141,0.540347826735947,3.93928928117706,2.12858640196823,2.64256007660705,4.19375925821749,6.30226737290278,2.27897772397579,3.93928928117706,4.54248648450375,3.13276947318568,4.48220457884686,1.71934664365403,2.49147832754481,2.12858640196823,2.27749741333071,2.2146746137807,1.91369782210934,1.95386785530429,2.32954213805377]
["6.71_240.10794m/z",240.10794,6.71,"Pos","Ethyl-L-NIO",15,"M+K","Metlin",1.90715,8.12072228719062e-07,3.12160432023029,1.13930362634473,3.55645512205174,1.48193358516855,1.65908038900296,1.42726918178703,0.495821633443407,1.13930362634473,1.34746365969144,0.211389100045675,1.35216783527404,4.89409675639816,3.05242080340438,3.55645512205174,3.77234491081636,3.16467604097967,3.02342464087017,3.88575830755075,3.10246439434269]
["2.28_241.12160m/z",241.1216,2.28,"Neg","gamma-Glu-Leu",0.0021,"M-H2O-H ","Main Standard Library",3.2273,2.68693122050108e-07,0.535069778772531,14.8209427668351,7.93023856745083,12.8041210752286,12.7137203173205,16.7044740608926,13.3402370490697,14.8209427668351,16.0572552699287,14.8908396985286,17.2359518968774,7.4219262734825,9.35382488310871,7.93023856745083,7.1762909253938,8.99893627103945,6.05605760635814,7.18874342897254,9.31589058380064]
["0.74_243.06161m/z",243.06161,0.74,"Neg","Uridine",-0.00109,"M-H ","Main Standard Library",2.77847,6.38049752814341e-07,0.488220968351888,10.1037490710111,4.93286215543351,6.81271960813344,10.5186919448423,10.2740648516532,9.49086174237217,10.1037490710111,10.8447712740144,11.7460907277866,11.0390433482754,4.67243259601814,4.52354197282249,4.93286215543351,6.36884167778862,4.34316890790217,3.91506057651783,6.05455028895123,4.6524390680341]
["4.1_243.08496m/z",243.08496,4.1,"Neg","Flurbiprofen",9,"M-H","HMDB",1.01833,0.00489853699422175,2.02030320200565,0.940193443435927,1.89947582427832,2.45139410041965,0.60813565456087,0.795745960692646,0.489189020054756,0.940193443435927,0.728393807135097,0.725403867977664,0.783091693210805,3.10658741338315,2.02497008791263,1.89947582427832,1.50010290880313,1.77156121846289,1.61253004177164,1.51547691710751,1.76510218250733]
["1.59_243.11611m/z",243.11611,1.59,"Neg","Etomidate",9,"M-H","HMDB",1.21542,0.000469741625320881,0.746286914232892,4.75485790155757,3.54848823096928,4.39448701639195,5.88104907104118,4.46091538674544,5.21789838091958,4.75485790155757,4.19403612452418,4.57246239473446,4.56315693654617,4.14761338808493,3.24128835813089,3.54848823096928,4.07674972019347,3.22666553107112,2.74013935512407,4.12024170603571,3.28671955814476]
["5.01_245.04471m/z",245.04471,5.01,"Neg","Coriandrone c",3,"M-H","HMDB",3.31842,0.00116632804599611,2.5217549441537,5.87871833373854,14.8246870233921,14.2323219175512,4.47954422091545,4.6387720783764,5.11356036373863,5.87871833373854,4.37795246226432,3.45192665883339,4.85695063449037,10.5195896027312,16.1131588905023,14.8246870233921,9.81959547088523,15.7786615856203,25.5623025123724,9.79356197020945,16.1859391314241]
["0.73_245.05914m/z",245.05914,0.73,"Neg","N-acetylcystathionine",2,"M-H20-H","HMDB",1.16272,1.17492073300419e-06,0.442878918075313,1.66976914109833,0.739505550645172,1.46866612004477,1.43110371744327,2.06895193074602,1.26507097031146,1.66976914109833,1.82899892874164,1.54709836970235,2.07849395069877,0.634220669028447,0.858164924071479,0.739505550645172,0.691708446622869,0.867299926933348,0.571261856866121,0.64520863607546,0.908674394918475]
["5.32_245.10113m/z",245.10113,5.32,"Pos","Threo-syringoylglycerol",3,"M+H","HMDB",1.62229,8.19435657500623e-05,4.48324186521184,0.563730866289049,2.5273418204592,2.64525502911964,0.177210728838842,0.224189942655018,0.227560386242674,0.563730866289049,0.330198492770982,0.0924307550964917,0.249270729299701,3.76542136457311,2.71639253008736,2.5273418204592,2.15191480313544,2.36221566721205,2.1178732518658,2.06359883903671,2.51397628730394]
["3.41_245.13907m/z",245.13907,3.41,"Neg","Hexyl glucoside",1,"M-H20-H","HMDB",1.26029,6.19123872674953e-05,0.547317753031097,2.70969589153006,1.48306466674983,2.40947022390716,2.27963961993142,2.64450084273465,3.90337379177634,2.70969589153006,2.56573124377198,2.43187302953999,2.73328248904889,1.49307331105408,1.13806891295556,1.48306466674983,1.97697974419553,1.12896099669021,1.52725520270722,1.9783153485543,1.1387991510919]
["0.83_246.99061m/z",246.99061,0.83,"Neg","Vanillic acid 4-sulfate",5,"M-H","HMDB",1.06316,0.0025470830634904,0.631708084861928,2.44351352541564,1.54358724947453,2.33276278097729,2.86026462975816,1.73138777556295,2.51114084984594,2.44351352541564,1.99374221597618,3.83051425956138,1.8447821662276,1.59020715104286,1.72545854093563,1.54358724947453,1.38069501725031,1.65803574915455,1.43530106996327,1.27890250483625,1.73651071313887]
["2.77_247.02772m/z",247.02772,2.77,"Neg","4-methoxyphenylethanol sulfate",2,"M-H","HMDB",1.38628,0.0222120973594318,0.736189914145117,7.15354266492297,5.26636596032308,4.52337804967376,6.68247467880596,6.33493685552288,9.31156639846714,7.15354266492297,6.16237293281704,10.3308099880813,6.7292597510927,2.9538784852709,5.72435745605719,5.26636596032308,5.48804865200947,5.49034837557677,5.99407587329234,5.46616821296383,5.74768466709104]
["7.27_247.02874m/z",247.02874,7.27,"Pos","Busulfan",7,"M+H","HMDB",1.08024,0.00190499696274612,6.03603295204873,0.208947524806482,1.26121414498094,0.116393912760185,0.315166082145449,0.225826918509113,0.140477250511829,0.208947524806482,0.279005487329005,0.150658228850672,0.23510479353912,1.44437560893023,1.74908957631854,1.26121414498094,0.0942395854079367,1.58974748872625,2.21720738572642,0.0709858769797184,1.66285349277751]
["4.16_247.06266m/z",247.06266,4.16,"Neg","Phenylmethanethiol",2,"2M-H","HMDB",3.37302,0.00013684436817312,7.30374212288832,1.4479711376673,10.5756077909072,2.38798440965124,0.884235878932048,1.42295022576412,1.44352900445492,1.4479711376673,1.23061078791801,1.47087740432301,1.29561025262778,12.2341758460285,16.9379051169639,10.5756077909072,3.75017182734394,10.5977271878251,10.1465326217336,3.79529313434231,16.5674488021132]
["2.99_247.09606m/z",247.09606,2.99,"Pos","Marmesin",2,"M+H","HMDB",1.08679,0.000972618659139442,0.539875361537568,2.09573781469081,1.13143721039415,1.96065206015791,2.71923552429377,1.93908311621009,1.10227063689936,2.09573781469081,1.94916219859253,3.15888167988024,1.84087948680177,0.821982734573464,1.07181752925411,1.13143721039415,1.45645436000308,0.943592355567178,1.14436698083025,1.482896693134,0.998949819396983]
["5.4_247.11765m/z",247.11765,5.4,"Pos","(4-Hydroxybenzoyl)choline",1,"M+Na","HMDB",1.43703,2.22208325441457e-06,2.28192162129783,1.12584139976804,2.56908183228292,2.18646274323408,0.927189276892826,0.898377226372287,0.894939576352314,1.12584139976804,0.991702257199007,1.0835762864338,0.898642431891995,3.09344776756939,2.76150405746767,2.56908183228292,2.1651045160424,2.66435181293369,2.46565799762736,2.19359215204714,2.63991452229278]
["6.41_247.13306m/z",247.13306,6.41,"Pos","(+/-)-Abscisic acid",0.00106,"M+H-H2O ","Main Standard Library",1.04383,0.000153812707838138,1.40919554452872,2.13577522603453,3.00972493264268,1.92026641192559,2.3640681455136,1.75299181748792,2.05537761375218,2.13577522603453,1.60903268088089,2.78633706363676,2.46235284904475,2.64009908378838,3.21906529070562,3.00972493264268,2.65606200686679,2.88452109004502,3.43513852972629,2.96968630216266,3.26350222520403]
["1.33_249.01049m/z",249.01049,1.33,"Neg","Heptenophos",6,"M-H","HMDB",1.01504,2.48344453583774e-06,2.54465160565793,0.491706981789993,1.25122296072512,0.521043092465941,0.399895147594058,0.426036598458607,0.578741000142308,0.491706981789993,0.426396136550884,0.628053249058233,0.461783648259922,1.5198045931208,1.11403094846676,1.25122296072512,0.965278487423366,1.58519809442643,1.05594664766844,0.949178311953851,1.5691236420162]
["6.34_249.14852m/z",249.14852,6.34,"Pos","(1H-Indol-4-yl)-Carbamic Acid tert-butyl ester",6,"M+NH4","Metlin",2.11033,5.78071238456615e-09,1.51750348085788,5.55410587439755,8.4283749974515,5.70866219686166,5.24494903055729,6.314203690855,5.19680249180441,5.55410587439755,5.5972474873956,5.38859089240896,5.42828533089991,8.68271067225528,8.62270999828668,8.4283749974515,8.68587828218912,7.58753451095241,7.58751152916034,9.0785537889391,8.75372620037757]
["3.62_251.06620m/z",251.0662,3.62,"Neg","N5-(3,4-dioxo-1,5-cyclohexadien-1-yl)-l-glutamine",5,"M-H","HMDB",1.25119,0.0033179999349136,3.67318611492444,0.579264993622888,2.12774813143739,0.590180615696032,0.416676341808462,0.551050096814326,0.651929704300884,0.579264993622888,0.512689702384864,0.748687167356507,0.583641326999146,1.48538471500871,3.51208640183371,2.12774813143739,0.496286255985801,3.28074339338818,2.2044938191717,0.488859306273533,3.42638302840006]
["7.99_251.12745m/z",251.12745,7.99,"Pos","Trolox",1,"M+H","Metlin",1.04709,3.54036693764796e-05,1.61701493224754,1.23941739983347,2.00415644281814,1.50539200846161,0.970501349687905,1.16028762237706,1.20633462527524,1.23941739983347,1.27685831351863,1.24009240993063,1.31645546958324,2.15743659169214,1.64586379808969,2.00415644281814,2.22554682335016,1.56521571715983,2.36256980304724,2.38472551271133,1.68773685367659]
["4.99_251.16411m/z",251.16411,4.99,"Pos","Ketosantalic acid",0,"M+H","HMDB",1.11539,0.000875395646393902,0.664768480776081,2.76334948873391,1.836987641479,2.51652663856967,2.24765915916598,2.35119009384915,2.53365282867052,2.76334948873391,2.85548220637426,4.01956438329219,2.81937111121563,1.57063772568992,2.09019619667627,1.836987641479,1.57448267034532,2.17350208603067,1.59367505765189,1.62770050084191,2.22871925311704]
["6.93_251.16413m/z",251.16413,6.93,"Pos","ent-Corey PG-Lactone Diol",2,"M+H-H2O","Metlin",1.76287,7.0257423516402e-10,1.70391756763364,2.80522661112635,4.77987490389157,3.29599199229699,2.49973121042114,2.94355783887871,2.95542618172293,2.80522661112635,2.74621766254039,2.49259680046645,2.70306459155781,4.32837734191713,5.06653628253431,4.77987490389157,4.85529341891449,4.67106542734734,4.55075031795969,5.19863317727718,4.78846836129083]
["5.39_252.15640m/z",252.1564,5.39,"Pos","N-decanoylglycine",2,"M+Na","HMDB",2.01091,4.98514577956636e-07,3.18251363683553,1.21845621255889,3.87775351235564,2.36814567388969,1.10942294471534,0.973711784529332,0.934930420561169,1.21845621255889,0.984734347821355,1.18817527463967,0.970073041755656,4.54340150786761,3.26657373865643,3.87775351235564,4.63746474338902,2.99681560986257,4.05209663027686,4.6655882417049,2.98233411473208]
["2.66_253.10790m/z",253.1079,2.66,"Neg","3,4-dihydro-6-methoxy-2,2-dimethyl-2h-1-benzopyran-4-ol",1,"M+FA-H","HMDB",1.68343,0.000121280624988345,2.20740898371978,1.84725587600423,4.07764921592089,2.28437651970527,1.47881278571845,1.56926723807407,1.57140606787757,1.84725587600423,1.64626556310725,2.62616435241971,1.75449860512731,3.97902274779549,4.58184856130098,4.07764921592089,2.53161758789715,4.40903658865051,5.94026184063153,2.51261311942346,4.5891440657471]
["7.27_253.13926m/z",253.13926,7.27,"Pos","Talaromycin a",7,"M+Na","HMDB",1.42187,0.0015896740032016,0.586015735721743,4.13116272878225,2.42092636589358,3.64817224343266,2.12008564704003,3.28773347419316,4.58650486485311,4.13116272878225,5.02293688224527,5.53875564128457,4.71395034842696,1.98576251831381,2.18736311345684,2.42092636589358,2.48089113882869,1.89899922909574,3.76282186168354,2.52995114728412,2.10069555259229]
["9.61_253.14347m/z",253.14347,9.61,"Pos","Dodecanedioic aicd",0.00297,"M+Na ","Main Standard Library",1.24216,2.47960547668517e-08,2.55463375809558,0.650020531768126,1.6605643939101,0.955148343229689,0.495864288751463,0.658767348085797,0.629020762912041,0.650020531768126,0.60749844193746,0.574874725464264,0.628969811996168,1.41934089512068,1.8772104335104,1.6605643939101,1.46765161965981,1.6934079744964,1.9620260173697,1.38267326668558,1.82164055052811]
["2.64_254.10232m/z",254.10232,2.64,"Neg","Glutaconylcarnitine",2,"M-H20-H","HMDB",1.75506,0.0013305524355243,1.7258311182033,3.44083885047345,5.93830676086996,4.0293322441314,2.93660819754548,3.57076199871358,3.16269295926935,3.44083885047345,3.73998717694215,2.65073638313111,3.9957529935811,4.21079744453395,6.09921861882804,5.93830676086996,4.7370028090043,5.98882400558255,9.70197231554804,4.70560823959851,6.12472389299432]
["1.92_255.13375m/z",255.13375,1.92,"Pos","MIDODRINE",1,"M+H","Metlin",1.39853,0.000514179928140896,2.54155403505261,1.06598198723984,2.70925082096282,1.15870167375041,0.948954373564947,0.85989959872132,0.992524224191178,1.06598198723984,1.09044029333882,1.29363895364359,1.11771479346862,2.45472249016545,3.10227328568636,2.70925082096282,1.22062576500467,3.46338132298616,4.19648987501887,1.32000433367388,3.20725867420434]
["15.36_255.23238m/z",255.23238,15.36,"Neg","Ethyl tetradecanoate",2,"M-H","HMDB",8.55302,0.000347773933223417,0.519086644040675,122.814376376987,63.7513024734784,74.0744418698168,147.64460054456,146.447134613394,75.9016604759835,122.814376376987,152.01321919976,104.163838730919,159.455739204473,46.3878046288868,71.9962022963678,63.7513024734784,64.8523152882074,71.42400617391,54.9871066682898,63.8697156009629,72.7419666577238]
["16.56_256.26357m/z",256.26357,16.56,"Pos","Hexadecanamide",0.00167,"M+H ","Main Standard Library",1.68481,6.33079581708572e-05,0.553954383550168,5.00018061280112,2.76987196900374,5.23076694620165,5.75183221574112,7.07748537310802,3.43114084408006,5.00018061280112,4.66966353366561,4.01256385515586,4.82781152165552,2.60684390394622,3.00475790968187,2.76987196900374,2.80877078864557,2.65774596307258,2.66678957067887,2.50466788955729,3.13952775744381]
["0.7_257.08171m/z",257.08171,0.7,"Neg","Benzaldehyde",1,"2M+FA-H","HMDB",1.70092,4.33167509027078e-06,0.341831794305155,3.07176235050873,1.05002603595342,2.14322187456227,2.26270070606718,4.19328309071474,2.41084659617084,3.07176235050873,3.58208991963721,3.0526287959225,3.85756547048637,0.903983182959017,1.23561046997498,1.05002603595342,1.10154793464048,1.15527494060874,0.658376513506351,1.00161481528338,1.29377439470099]
["1.64_257.08229m/z",257.08229,1.64,"Neg","Wyerone",1,"M-H","HMDB",1.94272,2.3835179928359e-09,0.338389607686272,3.60146804420427,1.21869935857293,3.0259663078694,3.80622219591863,3.42391320894547,3.09224278944113,3.60146804420427,3.69944496076127,4.18656600630176,3.97592084019224,0.912013555913846,1.53246533201491,1.21869935857293,1.12809486677344,1.51141568609839,0.749984788101821,1.1344861751172,1.5624351059909]
["1_257.10944m/z",257.10944,1,"Pos","1-(beta-d-ribofuranosyl)-1,4-dihydronicotinamide",15,"M+H","HMDB",1.14347,4.3857300614086e-05,0.643524976793003,2.71907266145404,1.7497911713607,2.43092904943026,3.01811401321508,2.4971322949726,2.80936683980151,2.71907266145404,2.65645384764445,3.05764230122214,2.56387028389226,1.02149121714278,1.58952709600967,1.7497911713607,2.23871118374259,1.69281758092901,1.62999437377209,2.35244800249543,1.72354874543334]
["3.72_257.13888m/z",257.13888,3.72,"Neg","Dihydrojasmonic acid",2,"M+FA-H","HMDB",1.35021,0.00131569634664219,0.704630166872497,5.68444874230138,4.00543406586598,8.40330981059722,4.86195157098372,5.52727366240796,5.31390596584766,5.68444874230138,5.26902300349839,4.9140528669342,5.50162431584052,4.4380861568568,3.77140835996108,4.00543406586598,4.38581317927283,3.57726406445868,3.81883226500559,4.36278865291037,3.68384578259647]
["18_257.24531m/z",257.24531,18,"Pos","Palmitic acid",-0.00159,"M+H ","Main Standard Library",1.29473,0.000222720308004602,0.527371808402395,2.89738897213255,1.5280012618787,1.83711273050938,3.04326613747193,4.14177442358786,2.60606593722817,2.89738897213255,3.45886665345155,1.99066805706364,3.20396886561532,1.36881502701699,1.6053732471452,1.5280012618787,1.7840455511764,1.42114103209002,1.18685426943553,1.82801657707218,1.50176312921459]
["0.67_259.06989m/z",259.06989,0.67,"Neg","1,2,3,4-tetrahydro-b-Carboline-1,3-dicarboxylic acid",10,"M-H","HMDB",1.40575,1.23338437973109e-07,0.483179259568725,2.45550775916947,1.18645042094076,2.25867607552218,2.01912546100027,2.45561533991008,2.61685161431617,2.45550775916947,2.34070171226879,3.00150065030608,2.49608346086271,1.35047441993239,1.27140864725983,1.18645042094076,1.29819594334986,1.20444940627227,0.6277865191188,1.27351897617878,1.2793190344734]
["3.01_261.13066m/z",261.13066,3.01,"Pos","Glycerol tripropanoate",10,"M+H","HMDB",1.71144,4.86037655067605e-06,5.24132202043072,0.491687107767954,2.57709046510607,1.32565743169506,0.200930636877289,0.764953157248519,0.210411319436875,0.491687107767954,0.208685503419111,0.529375669636286,0.201796036062542,3.19139202787566,2.86245713664515,2.57709046510607,1.4885783036055,2.90788193207769,3.33971733297812,1.45113576976782,2.79847075279254]
["4.51_261.13534m/z",261.13534,4.51,"Pos","Diaveridine",0.00124,"M+H ","Main Standard Library",1.57946,8.89414184339284e-07,0.2511117391033,2.21557773427487,0.556357577972313,1.46061164083204,2.44000281653795,1.33227435320092,2.41972510812576,2.21557773427487,2.40366230155861,2.90730999506821,2.54545792460061,0.464069865357715,0.492780976017539,0.556357577972313,0.776871603396179,0.42909536116103,0.438067037096695,0.827151876939963,0.466466325837067]
["8.86_261.14830m/z",261.1483,8.86,"Pos","Ile Glu",15,"M+H","Metlin",1.73431,8.27595800689662e-10,3.78185815360241,0.690422260069654,2.61107905367303,1.35693790387311,0.506859585944882,0.634491660653401,0.64032717674649,0.690422260069654,0.590080971956861,0.545001173533995,0.559257347778836,2.23267569578968,2.81050494908451,2.61107905367303,2.38826468418073,2.57716836409329,2.96235362248198,2.43467329454483,2.87191276553619]
["0.99_262.12872m/z",262.12872,0.99,"Pos","Methylmalonylcarnitine",1,"M+H","HMDB",1.61683,0.000145244904022488,0.617876977373073,5.25064973678323,3.24425558860834,6.42722423903254,4.71658777143049,4.315353990947,3.88349027250834,5.25064973678323,5.50646879051116,6.42306057270515,5.48236252034791,2.30257249879969,2.58645384035289,3.24425558860834,3.29402938147439,3.73791128742622,4.23068794824631,3.38841052927447,3.16972363468442]
["3.51_263.02270m/z",263.0227,3.51,"Neg","Tyrosol 4-sulfate",2,"M+FA-H","HMDB",1.66145,1.05987364637661e-05,9.01334896067827,0.245965410762596,2.21697207945984,0.324410111355922,0.141800287612656,0.258064645500264,0.300608016085661,0.245965410762596,0.253295594151273,0.186258364915808,0.257320855716585,3.88359921957241,2.05843280486493,2.21697207945984,1.47917561888076,1.78446527200594,3.00609636884779,1.46203581268776,1.84499945935933]
["6.5_263.11568m/z",263.11568,6.5,"Pos","Anserine",16,"M+Na","HMDB",1.31388,8.36205528532575e-10,1.65150573250864,1.66566877646321,2.75086153278963,1.79391410142287,1.66629974923493,1.73010014774607,1.70010457844497,1.66566877646321,1.75301736461911,1.41269836142904,1.60354713234545,2.92620860248595,2.86169939476139,2.75086153278963,2.60690148740684,2.3953427656533,2.90649411308605,2.81641683077386,2.74296753536003]
["0.76_265.03653m/z",265.03653,0.76,"Neg","2-vinylthiophene",1,"2M+FA-H","HMDB",1.26344,6.24085546443848e-05,0.306335097634765,1.71999822811422,0.526895825140992,0.484773754235579,1.65464092947386,2.20776885410609,1.54331843098844,1.71999822811422,2.18497902004549,1.66774535386605,2.29676125408401,0.390480158637921,0.474780429128028,0.526895825140992,0.774982565586093,0.47053389739373,0.339691310175558,0.73898597745762,0.498816437607994]
["5.51_265.11129m/z",265.11129,5.51,"Neg","Sapidolide a",12,"M-H","HMDB",2.26228,1.34430540953785e-06,2.41730948733065,2.58389261113918,6.24606812315032,3.28124048532473,2.27793398098445,2.43159144471032,2.61221911308804,2.58389261113918,2.41395105478837,2.53186047117607,2.53845172790229,7.69924971224162,7.24158008029113,6.24606812315032,4.6069498719561,6.99451065333557,5.27931505992354,4.60857790761825,7.29229357668599]
["4.23_265.11798m/z",265.11798,4.23,"Neg","N5-(4-methoxybenzyl)glutamine",5,"M-H","HMDB",4.73187,0.000142892883578523,3.09944271538616,8.24972024224101,25.5695353087877,15.8745200177036,5.93377480436961,7.28692535584329,8.01635196710726,8.24972024224101,7.10108098737125,6.1392557576093,7.3961328056828,24.5531563783155,30.9634929460441,25.5695353087877,12.8083226617716,29.2225163246474,38.1816398520591,12.6367296215699,30.6208893771058]
["3.5_265.12041m/z",265.12041,3.5,"Pos","Phenylacetyl-L-glutamine",0.00111,"M+H ","Main Standard Library",1.70424,0.00397263447050968,0.583720236671835,6.48016006656663,3.78260056772765,7.97529122808754,8.48873323729517,4.86388813465924,4.52007665562335,6.48016006656663,5.48510722622907,8.61551176854626,5.41251221552581,2.28181098038707,2.9443202871844,3.78260056772765,5.99850909301187,3.09042800011525,2.84941484317855,6.11493204395632,3.19878872626006]
["6.42_265.14362m/z",265.14362,6.42,"Pos","Abscisic Acid (cis,trans)",1,"M+H-H2O","Metlin",1.74819,7.4709806067857e-08,2.10465717714685,1.8435715330163,3.88008605854637,2.40612318983888,1.70293641878934,1.77247832772842,1.73942764507975,1.8435715330163,1.70098678642713,1.8742768017083,1.70877156154227,3.72133322318791,4.29669270541049,3.88008605854637,3.14897952584332,3.85589904602848,4.58957274322838,3.23133620752044,4.31678895860559]
["12.24_265.14694m/z",265.14694,12.24,"Neg","6,7-dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5h-2-pyrindinium",1,"M-H20-H","HMDB",1.1904,7.62074650511746e-07,0.517846625975057,2.06316135225704,1.06840114510845,1.81432814698351,2.16189121263004,2.41574824557275,1.65690649979982,2.06316135225704,2.49907020350859,1.64588574977756,2.24829940752703,0.998236007508825,1.03970869808905,1.06840114510845,1.09941442368436,1.17012400523287,1.02022345411751,1.1236558658713,1.02744556125522]
["4.57_267.09110m/z",267.0911,4.57,"Neg","Moclobemide",2,"M-H","HMDB",1.40092,0.000655004780613097,2.82403384993091,0.939765907083202,2.65393073261399,1.17850498789889,0.631363076869193,1.06597765623859,0.996986719162092,0.939765907083202,0.944878726611025,0.716134385098472,1.04451579770415,2.67042846777043,3.80914881367347,2.65393073261399,1.11629461678614,3.63305978767701,2.44907643654736,1.09955977787033,3.79994722797316]
["5.39_267.13010m/z",267.1301,5.39,"Pos","Phe Thr",14,"M+H","Metlin",4.55521,0.000692493817404201,1.91531367371077,19.1010862310639,36.5845716410851,23.4100032377246,16.3093729740035,19.6267912539893,17.2186751596049,19.1010862310639,19.9336493343075,16.7713655304196,20.4377461273976,35.1084616158596,44.3498169980048,36.5845716410851,19.9538926603358,43.9440393250028,49.3243203693678,20.0466295261297,43.3648409928949]
["3.89_267.14755m/z",267.14755,3.89,"Neg","Hesperaline",0,"M-H","HMDB",1.5259,0.0027225609983495,2.03997972354426,1.97916762204591,4.03746181846898,2.89428551536692,1.45156820465045,1.75403749533884,2.07506273352775,1.97916762204591,1.66353734185698,2.25329248190626,1.76238958167418,5.07017909508435,3.20717542796131,4.03746181846898,6.00367717311638,3.07405870086066,1.72499240676939,6.01960035141074,3.16254957408]
["6.39_267.15903m/z",267.15903,6.39,"Pos","1,11-Undecanedicarboxylic acid",10,"M+Na","Metlin",1.88222,3.17256017422398e-10,1.34440591009576,6.55833344616222,8.8170622453992,6.72438860228705,6.48862595867151,6.95801542013885,6.57508467393984,6.55833344616222,6.3922958029989,6.56968851882675,6.20023514627265,8.74892209165641,8.97180816298538,8.8170622453992,9.03525428227096,8.31634031918564,8.37365548183744,9.36706379136517,8.9063915884934]
["8.88_267.16657m/z",267.16657,8.88,"Pos","Atenolol",-0.00483,"M+H ","Main Standard Library",1.05775,2.53768121448434e-08,2.08895999286318,0.672171707494241,1.40413980529,1.05239858156215,0.57963297418698,0.702034536004608,0.622216367497808,0.672171707494241,0.567427893118202,0.603545214637748,0.577946385452187,1.47522854395121,1.48013569315939,1.40413980529,1.26252049446896,1.35565619293049,1.41480106979448,1.30048936571702,1.54014727700846]
["0.95_268.10775m/z",268.10775,0.95,"Pos","2'-Deoxyguanosine",0.00445,"M+H ","Main Standard Library",1.02941,0.020570085272632,0.764336296031842,5.16449805390621,3.94741331338633,6.94367251344988,4.68854915642661,4.46965876793848,4.46285186828908,5.16449805390621,4.93367032024289,5.4814709440349,5.17161280696164,2.49493237238117,3.29083938923548,3.94741331338633,5.5357303568586,4.08110158126868,3.26055236005069,5.35782375260701,3.61091338130268]
["5.39_268.13284m/z",268.13284,5.39,"Pos","Met Thr",1,"M+H","Metlin",1.84394,0.00110652309231038,1.76502817505798,3.84658649998046,6.78933355026316,4.72727177080157,3.17815378930204,4.23261327979604,3.33403444672656,3.84658649998046,4.05977868646492,3.39589205323683,3.99836147353524,6.4552380048784,8.36690291688683,6.78933355026316,3.80868184594259,8.05514584231856,8.75499949512761,3.91650989685369,8.16785684983443]
["4.63_269.04531m/z",269.04531,4.63,"Neg","3'-hydroxydaidzein",1,"M-H","HMDB",1.1806,5.24438166336913e-06,4.73674788395146,0.248907224270056,1.17901076786142,0.700605596478736,0.122444434581221,0.216528677435858,0.180369233193721,0.248907224270056,0.191561874270259,0.110616522617356,0.220224231313237,0.963421673048497,0.925933565860604,1.17901076786142,1.28581866922476,0.942382112026525,1.87813668245858,1.26513698733905,0.992245685071915]
["4.84_269.15597m/z",269.15597,4.84,"Pos","(s)-3-methylthiohexyl hexanoate",5,"M+Na","HMDB",3.05327,2.4124366797196e-08,0.465223273682889,11.3138277584208,5.26345598765687,9.2681851908,9.6144374314778,10.9291678759778,12.6404635313745,11.3138277584208,12.574644705983,11.6526118431395,12.5172837301932,3.60830733126243,4.99879689103801,5.26345598765687,5.44347838195594,6.44168279124763,5.27282994819483,5.52446812181209,5.55462844808717]
["14.06_269.24742m/z",269.24742,14.06,"Neg","(+/-)-11-methylhexadecanoic acid",4,"M-H","HMDB",1.31211,0.000122784969511357,0.558158207645114,3.04510909604158,1.6996526351304,1.97095254177115,3.26736016618527,3.63256819166489,2.80129433248856,3.04510909604159,3.9826100422032,2.20962494141903,3.45135345655899,1.28640500678347,1.72443114283367,1.6996526351304,1.73606896804079,2.07963361844014,1.60832196870564,1.71725570357321,1.7454520375359]
["7.14_270.17108m/z",270.17108,7.14,"Pos","Rizatriptan",1,"M+H","HMDB",1.03693,0.000186979425614628,1.66924062787011,1.16870899836933,1.95085654223547,1.40554305438691,1.08457818323566,1.36501499640841,1.43586252645412,1.16870899836933,1.18105305842613,0.536788422491111,1.17212274718295,1.91393008984814,1.83204904809719,1.95085654223547,2.42067923312767,1.73543093529814,1.55431776794866,2.48833405108674,1.71125467024172]
["7.25_273.16962m/z",273.16962,7.25,"Neg","(s)-3-octanol glucoside",2,"M-H20-H","HMDB",1.17303,0.00113451184330321,1.93832533234506,1.14218861677118,2.21393313020375,1.8800918829876,0.730553854850342,1.08449247628355,1.25185409237982,1.14218861677118,1.04465897187089,0.883775308921249,1.11989373010484,2.18500463924194,1.79056843497836,2.21393313020374,2.14222268349381,1.71408921198887,3.77783138804679,2.08411564247647,1.80369991119997]
["1.56_274.09496m/z",274.09496,1.56,"Neg","Ethenodeoxyadenosine",1,"M-H","HMDB",1.11634,4.31660356658995e-06,3.34213737975655,0.376137481528949,1.25710313694539,0.728454061024969,0.247774881972892,0.298368410783302,0.319739249900513,0.376137481528949,0.313322188125516,0.422177012667966,0.303126566227483,1.4114182816272,1.35970024434069,1.25710313694539,0.806495382741582,1.3520858666755,1.74142420003643,0.826065900953561,1.30253208224274]
["5.74_275.12950m/z",275.1295,5.74,"Pos","Gossyvertin",6,"M+H","HMDB",1.08959,1.17153728448429e-05,1.45440950499924,1.84774081861064,2.68737180936239,2.14863197541232,1.42675548578794,1.98261659992612,2.36795598112702,1.84774081861064,1.66068619145445,1.7464537665597,1.6010857300069,2.27307645270794,2.69436919433412,2.68737180936239,2.80489005266215,2.71589652500904,2.69443483456611,2.92039224288984,2.70854336336752]
["3.99_276.12603m/z",276.12603,3.99,"Pos","Ala-trp",-0.00497,"M+H ","Main Standard Library",1.26291,4.34698614122821e-07,0.582660823008114,2.68204990426816,1.56272540456972,3.23736565739839,2.36870068708768,3.09169101605541,2.29229143158166,2.68204990426816,2.5880448558557,2.60080619755707,2.59544948434122,1.33491746585782,1.70063223076875,1.56272540456972,1.61735318958177,1.36159464161697,1.73409179422126,1.53289552639677,1.6575929835447]
["1.41_277.08259m/z",277.08259,1.41,"Neg","Phenobarbital",1,"M+FA-H","HMDB",1.23724,5.61815591337312e-06,2.18665521593855,0.882352353124992,1.92940037525642,1.53445246278968,0.414982207322338,0.807791268687964,1.42797590333029,0.882352353124992,0.731667529832144,0.47269947071786,0.78689762919467,2.07520585667407,1.86876571444399,1.92940037525642,1.88159092770698,1.78804369636974,2.10938859960936,1.89891873895843,1.88388909303235]
["10.35_277.12513m/z",277.12513,10.35,"Pos","(s)-argpyrimidine",7,"M+Na","HMDB",1.10668,0.008906518981863,1.42556843172106,2.96816518895022,4.23132259350082,2.8901241327286,3.0871071564226,2.66532265764959,2.38557183470848,2.96816518895022,2.44842567285933,4.80825979064384,2.49234507763908,3.85245262613954,3.98234690070107,4.23132259350082,5.55155600773817,3.36360810989424,3.34625581217902,5.57323659097486,3.94980210687886]
["7.6_277.14323m/z",277.14323,7.6,"Pos","Saccharopine",14,"M+H","Metlin",1.36708,0.00211604841989557,2.08883032094219,1.47675371668069,3.0846879399667,2.68580974606944,1.09572302218024,0.781840360343437,1.47501216447327,1.47675371668069,1.03397606179987,2.3302189510425,0.934695710856099,2.32466964432341,2.61823887365372,3.0846879399667,4.3507807771296,2.31704198901657,2.51924617158225,4.91368934340426,2.54914878065711]
["4.52_278.13518m/z",278.13518,4.52,"Pos","DIHYDROPTAEROXYLIN",13,"M+NH4","Metlin",1.29536,3.87257045905781e-07,0.566569708951415,2.56570960929651,1.45365334659297,2.23231359632514,2.93376994691748,2.76457863515442,2.38761637578395,2.56570960929651,2.22248923267034,3.08268615899921,2.33651331922501,1.19039073118527,1.50845384751544,1.45365334659297,1.57421360008863,1.45892169534322,1.3556857926033,1.59823295455936,1.48967480485556]
["4.07_279.12299m/z",279.12299,4.07,"Neg","Toxin t2 tetrol",1,"M-H20-H","HMDB",1.29533,6.2453480697559e-05,2.089298134451,1.17117420466872,2.44693208093149,1.8769720329006,0.891046727746331,0.784343291794231,0.959176667314003,1.17117420466872,0.77005468323551,2.09874376395935,0.817882265731,1.91064573689322,2.45061433070478,2.44693208093149,2.36231583103109,2.37433052595285,3.25338611320836,2.34139107097816,2.43584095775197]
["4.03_279.13442m/z",279.13442,4.03,"Pos","Asp Ala Gly",17,"M+NH4","Metlin",7.45362,1.97135260430922e-05,3.43646260911464,16.6758256686808,57.3058513865358,33.7151022497686,10.8747805753579,12.6473434600523,14.0661671509172,16.6758256686808,15.5056253461029,15.3655103127028,14.5562505858641,43.3344101046279,75.3466543307956,57.3058513865358,35.3195241410817,62.7709726354491,75.4175262206607,37.1529538874068,71.798918385729]
["4.03_280.13677m/z",280.13677,4.03,"Pos","Ala His Ala",14,"M+H-H2O","Metlin",3.20975,2.27778152485944e-05,3.01106633019441,3.76568636435015,11.3387314217669,7.03686165540993,2.54239101457004,3.12837053853404,3.10832214388784,3.76568636435015,3.36110249579845,3.80166538324205,3.38109131900871,8.97046973119213,15.0893876582637,11.3387314217669,7.18897120951493,12.3112137065755,14.7679943037467,7.43835434152812,13.6047290015474]
["0.82_281.10674m/z",281.10674,0.82,"Neg","3-hydroxynevirapine",8,"M-H","HMDB",1.29442,0.000589161342509886,1.89210622148867,1.64773545971094,3.11769051468658,2.1942131892559,1.17278941736469,1.31957438021258,1.35465552925761,1.64773545971094,1.38277618551166,2.63735287447827,1.4727866418959,2.60472945847148,3.59529405435058,3.11769051468658,2.06989612189551,3.86321154378606,3.83416918006074,2.01075650392507,3.84577674031659]
["5.75_281.11869m/z",281.11869,5.75,"Pos","Phenprocoumon",5,"M+H","HMDB",3.55696,0.000431625815829055,0.572512710378037,24.9752287311542,14.2986358931845,22.9343459160448,26.0461642375586,32.9019277131422,16.8496947866637,24.9752287311542,27.675199360357,18.6696071230011,29.7496619813121,12.7577408751918,15.2832771111671,14.2986358931845,18.5197347034288,13.8694668541274,6.70026196108256,18.9512060586374,14.0087636886565]
["6.48_281.11952m/z",281.11952,6.48,"Pos","Asp-phe",0.00422,"M+H ","Main Standard Library",3.98947,3.34012536881574e-06,2.37249903999668,8.19217233539356,19.4359210012086,7.28744602197494,8.64359525179134,9.1593260202374,8.63250365762719,8.19217233539357,8.76635944487324,6.47678135733954,8.37919459391131,24.0098502333589,22.6903911408357,19.4359210012086,12.6437148530181,19.0878838648857,22.8502730950427,13.7861065775923,20.983227243727]
["5.76_282.12253m/z",282.12253,5.76,"Pos","Ser Gly His",8,"M+H-H2O","Metlin",1.61904,0.000383035892185065,0.599542113633741,5.52651466316838,3.31337828218383,5.18616430137928,5.86387898362045,6.9911844470472,3.81432867600612,5.52651466316838,6.17394153712031,4.13202201624075,6.52408268076454,3.00529878288043,3.57165532023929,3.31337828218383,4.25111419207469,3.10808935250053,1.8514666218789,4.23047413048307,3.17554957522991]
["17.09_282.27899m/z",282.27899,17.09,"Pos","Oleamide",0.00049,"M+H ","Main Standard Library",1.89986,0.00294977704496677,0.54424015759695,7.85008314321466,4.27233048701231,12.4769905721192,10.2421135823932,8.47199435058134,8.34685303507238,7.85008314321466,5.27277324148061,4.88364634363339,5.25621087722255,3.49082208226383,6.07461091339391,4.27233048701231,4.24104770823828,3.23120308619197,4.71570864240346,4.54087241612664,3.61204856046808]
["0.73_283.06053m/z",283.06053,0.73,"Neg","Cystathionine sulfoxide",0,"M+FA-H","HMDB",1.05275,4.97564174384617e-12,0.38076651433999,1.11449520431985,0.424362454197504,1.10276312194672,1.14266795698449,1.07778529183978,1.12432586305493,1.11449520431985,1.00361043554521,1.23779515942595,1.11251860144187,0.419674013873303,0.485767225360692,0.424362454197504,0.343847921689057,0.474538020402039,0.386443443109708,0.342526262781222,0.517740292166508]
["1.77_283.09360m/z",283.0936,1.77,"Neg","Gamma-glutaminyl-4-hydroxybenzene",0,"M+FA-H","HMDB",1.5234,4.03328674770749e-06,0.470342263720752,3.0935329762333,1.45501930293636,2.62548828076678,2.22966259814552,3.8018135992874,3.31366203017378,3.0935329762333,3.46202010816757,2.47956172873709,3.74252248835496,1.3237664015915,1.72144824658858,1.45501930293636,1.45115983128418,1.64869159610997,0.979616852540006,1.4196162213945,1.64083597104582]
["4.53_283.12601m/z",283.12601,4.53,"Pos","Gamma-l-glutamyl-l-leucine",2,"M+Na","HMDB",1.43876,2.42739657379244e-05,0.584734404875887,3.55942386557653,2.08131759573892,2.42326891521014,4.0625847363475,2.62344589369449,4.04177428676038,3.55942386557653,3.98647131213877,3.72178781997577,4.05663409490867,1.94431047213856,2.0611093585882,2.08131759573892,2.18474501685978,2.1162274523891,2.09153960033422,2.27550772265748,1.89578354720511]
["18.07_284.29498m/z",284.29498,18.07,"Pos","Stearamide",-0.00152,"M+H ","Main Standard Library",1.19697,3.49225137596661e-05,0.499742491194242,2.18038932925324,1.08963319517436,1.88483419175583,2.66658889695952,3.18366928844334,1.63019102540785,2.18038932925324,2.01381845271694,1.7991830927755,2.0844403567137,0.998365891113688,1.18966268220499,1.08963319517436,1.15635963002392,1.0679654712733,1.03876966648833,0.955759673965978,1.22054935115028]
["6.53_285.07825m/z",285.07825,6.53,"Pos","Diazepam",-0.00205,"M+H ","Main Standard Library",2.55419,4.10687454946849e-05,0.159962255793519,5.63252827690659,0.900991928994761,3.84002801737604,1.18079506216293,5.1253950457584,7.36312060275818,5.63252827690659,7.71178712799665,6.87702933058527,7.32954275170868,0.635554214291867,0.736532123184201,0.900991928994761,0.656268977401989,0.766252376662802,1.99182425843972,0.74546630212806,0.775045250854682]
["5.56_285.11224m/z",285.11224,5.56,"Pos","FLAVOKAWAIN B",0,"M+H","Metlin",7.17915,5.53670842503995e-05,0.396266919004602,62.2964694601193,24.6860300178257,60.3407204022729,51.5974454440395,45.4479552330475,60.3320623136632,62.2964694601193,84.1036910049348,53.3737378498083,80.8796739730688,12.334485492357,24.5026258933118,24.6860300178257,15.3687094287588,53.0332887393351,25.4839746411779,15.3000836236695,26.77904230617]
["2.3_285.11290m/z",285.1129,2.3,"Neg","Matricarin",1,"M-H20-H","HMDB",9.84291,3.46674282898971e-07,0.418188228756016,108.26479936586,45.2750646834345,79.4921295803017,86.4882682627942,118.093096307844,118.107649007317,108.26479936586,114.422428678268,120.50704918347,120.742974541024,40.9110744623674,58.990867176282,45.2750646834345,36.5341926374313,56.6148695536346,28.9202832562259,36.8673384147377,58.0868272833623]
["19.36_285.27880m/z",285.2788,19.36,"Pos","Methyl heptadecanoate",0.0001,"M+H ","Main Standard Library",1.34207,0.000850041269242222,0.463142603180316,2.87494608097212,1.33151001194447,1.51900572695458,3.07259287199744,4.38776924665174,1.7814109190381,2.87494608097212,3.74050149129017,2.03793152966153,3.58541078121126,1.26789069624541,1.49782540494358,1.33151001194447,1.29648783253003,1.36896520949962,1.02433352685134,1.35753692780293,1.5075304857384]
["5.79_288.16429m/z",288.16429,5.79,"Pos","Ritodrine",0.00369,"M+H ","Main Standard Library",1.44753,7.14454782742295e-06,0.492549870257412,2.88825072043985,1.42260751762352,2.93705088418101,3.09254368435709,2.71411576397677,2.34540905745069,2.88825072043985,2.45456243955285,4.01825908205551,2.65581413150501,1.72344160164937,1.20682429266217,1.42260751762352,1.7299937956747,0.939528875077831,1.5722827487359,1.65585173278237,1.13032957678232]
["7.13_289.10905m/z",289.10905,7.13,"Neg","5,6-dihydro-11-methoxyyangonin",3,"M-H","HMDB",3.41972,0.000151744206804817,3.63868058868734,3.58737405773967,13.0533083482579,5.09394511734677,2.14234284825405,4.19751503000549,3.26317809033549,3.58737405773967,3.91938795200598,2.28036022329175,4.21488914293813,14.7223287913825,18.1542848240002,13.0533083482579,5.49595458104142,17.0259026290795,12.2664585564697,5.60554041470493,18.1026886411268]
["5.87_290.17620m/z",290.1762,5.87,"Pos","(-)-Hyoscyanine",0.0009,"M+H ","Main Standard Library",1.58975,3.42095237916913e-08,0.366059357832227,2.64291070939086,0.967462197087534,2.63912492031381,2.83011268597582,2.5333296387413,2.52318249906633,2.64291070939086,2.38043767785647,3.19206933071762,2.40211821306469,1.39813390813628,0.622050745232368,0.967462197087534,1.29020974452214,0.561572556872223,1.1252320752791,1.23197347137998,0.543062878190649]
["1.46_291.01770m/z",291.0177,1.46,"Neg","Citreovirone",7,"M-H","HMDB",1.27559,0.00876838931321748,9.29878384322148,0.174003623266395,1.61802208069155,0.214931395878058,0.177030225916594,0.145530621058543,0.19884982676715,0.174003623266395,0.13066345339493,0.198876887310437,0.152142952539055,0.401467822300319,0.46757772901779,1.61802208069155,3.21411910888616,0.474181241450678,2.90177544794744,3.36471811265267,0.502315102585804]
["8.05_291.12136m/z",291.12136,8.05,"Pos","Kamahine c",4,"M+Na","HMDB",1.14024,1.57955938614103e-06,1.64058980047506,1.35400786329349,2.22137149028233,1.71256599136151,0.972909355788195,1.32830715746047,1.1886147249845,1.35400786329349,1.57424024720591,1.14766110136653,1.55375646488728,1.88506320252836,2.29969556413755,2.22137149028233,2.13173835500516,2.18103105487939,2.52503421456284,2.35624619104936,2.17079184981363]
["6.4_291.12541m/z",291.12541,6.4,"Pos","Argininosuccinic acid",-0.00439,"M+H ","Main Standard Library",1.13668,0.000618104823186033,2.46701965571297,0.763156767709501,1.88272274632972,0.887925480827204,0.571712077758842,0.92698466446937,0.641523127488064,0.763156767709501,0.864639966550279,0.581905732747361,0.86740632412539,1.91256578675434,2.57483648654991,1.88272274632972,0.848060376481546,2.50630996878483,1.77750709162107,0.906703816690324,2.653075697426]
["10.49_293.10773m/z",293.10773,10.49,"Pos","N-desmethylpromazine",2,"M+Na","HMDB",1.54954,0.00016336522115745,2.60266789976623,1.08802492416013,2.83176754425716,1.98064399497807,0.278097368502059,1.20383118305595,1.8155176582024,1.08802492416013,0.988909844451124,0.310113209978128,1.03906120995319,3.09631261866608,2.21991154587242,2.83176754425716,3.91655263025652,2.00660399372118,2.55563743880852,3.88076745440265,2.14658712807275]
["8.71_293.14134m/z",293.14134,8.71,"Neg","Tocopheronic acid",6,"M-H","HMDB",2.28286,3.95233318024766e-07,2.9420064316064,1.82051205008994,5.35595816018156,0.387353405790079,1.80071821118052,2.98392025606819,1.32540755793718,1.82051205008994,2.73330918146282,0.624286404990589,2.8885893332002,5.37364769852991,6.00989286499814,5.35595816018156,4.79874422490794,5.70431665240435,4.94424203190455,4.70720332607925,5.95366032244675]
["13.18_293.17665m/z",293.17665,13.18,"Neg","Phytuberin",3,"M-H","HMDB",1.17299,8.47032585543972e-06,0.48451066740759,1.95930091773963,0.949302195306333,1.495085883806,2.0263135225475,2.39638020871665,1.52476368317642,1.95930091773963,2.44221966320608,1.47998336416881,2.35036009855596,0.871062078031978,0.921743847244481,0.949302195306333,0.984285358207357,0.992623477751629,0.905010318988996,1.01527623323648,0.955114053683408]
["1.13_294.15018m/z",294.15018,1.13,"Pos","4'-Hydroxy atomoxetine",13,"M+Na","HMDB",1.21224,0.000106938284673444,2.3924701640258,0.775720287195533,1.85588764274484,1.49663860404249,0.823197513256985,0.712979231725374,0.405418206064376,0.775720287195533,0.70744724691204,0.543469682906912,0.740891525460553,1.8925997397651,1.78228485585733,1.85588764274484,1.3349325852222,1.93007054874093,2.88963247283859,1.38506162734072,1.77663166944901]
["6.01_295.09708m/z",295.09708,6.01,"Pos","Gamma-l-glutamyl-l-methionine sulfoxide",4,"M+H","HMDB",6.87787,1.03685533761794e-05,0.373574897460388,53.6637971330592,20.0474475113177,46.9757149510964,38.5378402310166,70.9437894444942,43.4435598883166,53.6637971330592,64.3724401410235,47.0194573789196,64.3537778965477,11.1030457012905,23.4693018096717,20.0474475113177,12.9863873384893,36.2111198841515,19.7757460864589,12.9906754002701,23.7958563588917]
["1.99_296.09972m/z",296.09972,1.99,"Neg","5'-deoxyadenosine",1,"M+FA-H","HMDB",1.85458,4.38096867919603e-06,0.495770625837795,4.80487964529999,2.38211818882566,3.0959109082202,5.57095404292421,4.89863340697791,4.92272147765866,4.80487964529999,4.80754724154497,5.27078479569389,5.06760564408009,2.38985428426238,1.85379098094571,2.38211818882566,3.31960249407142,1.79432895424285,2.17136577804992,3.2277085201196,1.91817631008775]
["4.19_297.10022m/z",297.10022,4.19,"Neg","2-phenylethanol glucuronide",8,"M-H","HMDB",1.80697,0.000265573590903229,1.9343592479008,2.84023943892483,5.49404342493683,2.8454861187254,2.39116451930229,2.67102319944188,3.70202212212259,2.84023943892483,2.60125862789472,2.93814441721606,2.73257706777089,6.38577624449768,5.50750647251398,5.49404342493683,6.93404618638244,5.28024050266172,2.16589808069133,6.84267866192786,5.34215782588278]
["2.31_297.13351m/z",297.13351,2.31,"Neg","10-hydroxy-8-nor-2-fenchanone glucoside",1,"M-H20-H","HMDB",1.00062,0.00746203270327906,1.61835600398349,1.58566059976262,2.5661633519059,2.29478430162241,1.09820596749317,1.48153751984473,1.60404570697189,1.58566059976262,1.44567972034229,1.59220240094865,1.58316858111521,1.79105514980526,3.1449683999572,2.5661633519059,1.61325182574239,2.97987191876258,3.79956929968139,1.58113897801394,3.05328789137856]
["2.28_298.10564m/z",298.10564,2.28,"Pos","(+/-)-ribaline",2,"M+Na","HMDB",1.10354,6.5866187774274e-06,1.86561134690612,1.01752972476874,1.89831500034282,1.26911581253215,0.849895900998228,0.774217482732619,1.00207417048421,1.01752972476874,0.973267425836882,1.3205629087951,0.933574372001989,2.45118999180631,1.95419048955453,1.89831500034282,2.04471402117833,1.62913079265442,1.50490236991719,2.05414216943336,1.64993516785558]
["1.02_298.11490m/z",298.1149,1.02,"Pos","1-Methylguanosine",0.002,"M+H ","Main Standard Library",1.59326,0.000834991521513008,0.631429438937872,5.65485795157678,3.57064378363749,6.2737180317883,5.92008403131585,4.72534814468129,5.50970149403731,5.65485795157678,5.0096463721487,7.18443940866873,4.96106817839728,2.5711146581217,4.64310682171186,3.57064378363749,4.8702939421077,2.77516635036458,2.35741439512775,5.08330066000834,2.6941096580205]
["5.74_299.13249m/z",299.13249,5.74,"Pos","(+)-Enterolactone",3,"M+H-H2O","Metlin",1.81528,0.0011029817698401,0.615916448676042,7.65514256897533,4.71492822519208,7.14354132386391,8.01699439890626,10.0976046709339,5.34319232450149,7.65514256897533,8.30141142344092,5.58278458933041,9.10046925185044,3.93355444973702,4.98706075331313,4.71492822519208,6.33359585769666,4.72984600695515,2.36776780467867,5.98602641889833,4.66664628506559]
["10.33_299.16681m/z",299.16681,10.33,"Pos","Ala Asn Ile",15,"M+H","Metlin",1.68403,0.00257757256406131,2.29611222714519,1.81047826906993,4.15706129059211,4.11724953616527,1.11663980624702,1.93670194272855,1.30055836384548,1.81047826906993,1.56767003269905,1.05002384308213,1.58450435872199,4.33608221548555,3.21908503445349,4.15706129059211,6.61608697710551,2.75578575116081,2.71069728691681,6.24585287594309,3.21583889307954]
["1.58_300.08968m/z",300.08968,1.58,"Pos","8-Hydroxyguanosine",-0.00352,"M+H ","Main Standard Library",1.33818,0.00350681147127038,2.24864366720301,1.16969612358646,2.63022978085461,0.966326139699332,0.812796219910946,1.55884605990875,1.24251920990416,1.16969612358646,1.45662360594955,0.800126025019005,1.35063560471348,1.66342436087184,1.84428022365661,2.63022978085461,3.88668672967471,1.31755645173369,4.06264991658883,3.86132202158042,1.77568876187614]
["1.62_301.07333m/z",301.07333,1.62,"Neg","Isoferreirin",5,"M-H","HMDB",2.90777,2.93766803475e-06,0.188022440566689,7.52417265466983,1.41471330577617,11.9785056850261,4.74054271571877,7.88014695366619,7.70643910339792,7.52417265466983,7.86094966806741,4.6513481712751,7.85127628553731,1.03094233705772,1.79397007296247,1.41471330577617,1.10920975745154,1.95114770861637,1.00699190597685,1.17832915189918,1.83240220646902]
["0.79_301.14299m/z",301.14299,0.79,"Neg","6-ketoestriol",5,"M-H","HMDB",3.69353,0.00059695704891885,0.210078830170129,13.9244350063404,2.92522901691198,3.98105315983886,11.8277205837888,19.5614051351326,3.82053015818367,13.9244350063404,19.5186309898305,18.2209959593637,20.5407090582447,2.4869520700297,2.70597967575812,2.92522901691198,1.41778514601707,2.82848271591052,6.57457806160482,1.39275648374059,3.070068965323]
["12.24_302.30537m/z",302.30537,12.24,"Pos","Dl-Dihydrosphingosine",0.00107,"M+H ","Main Standard Library",1.76098,0.0040920116929637,0.709907676704506,10.8273742547947,7.68643610203149,9.36657273410641,11.0123872331176,14.6182046989381,7.69713987563659,10.8273742547947,12.6061451573656,7.94731814298507,12.5438519414134,7.53060604150842,8.76647559700553,7.68643610203149,8.95115075988391,6.19611404855918,6.92095143130111,8.31792936124422,7.12182547471808]
["5.81_304.16178m/z",304.16178,5.81,"Pos","Glu Arg",1,"M+H","Metlin",1.7286,6.47945713565041e-06,0.392472596669118,3.35988942480597,1.31866452707471,3.4487103950413,2.78724218401032,3.08254707887291,2.75198608743199,3.35988942480597,3.10892808286994,5.18956985347714,3.15024229193817,1.70123120210477,1.15485637601158,1.31866452707471,1.57767428833911,0.948161061565507,1.2557278034391,1.59128329158618,1.00171766647672]
["2.64_304.17327m/z",304.17327,2.64,"Pos","Pimelylcarnitine",7,"M+H","HMDB",2.18988,0.00223323222899909,0.457860283963835,8.02112836752625,3.67255611206594,5.08549881642681,15.2375958888572,7.24941189668484,5.01539095358778,8.02112836752625,8.07216099945008,7.49395258422506,7.99388743345194,3.2393541337669,2.76569911424398,3.67255611206594,4.89728349460123,3.28075764381728,3.56600270390009,5.11499580079326,2.84379989333882]
["6.19_305.10465m/z",305.10465,6.19,"Neg","Trans-o-methylgrandmarin",5,"M-H","HMDB",1.52543,7.90073792921932e-05,3.11475578542903,0.877135471249967,2.73206278368086,1.00254492069348,0.597055733442988,0.953880590097734,1.00165990996055,0.877135471249967,0.914166862134752,0.704953112644585,0.96568716977568,2.95126027384482,3.7452269342352,2.73206278368086,1.43811958772206,3.53674064774872,2.30347233436843,1.43494836375148,3.71467134409529]
["7.4_305.18494m/z",305.18494,7.4,"Pos","Ala Lys Ser",10,"M+H","Metlin",2.13888,9.49822624358762e-05,2.06552907103303,3.34628804090381,6.91185522853699,4.16932638204926,2.46858702183959,2.83251966838669,5.58899426763288,3.34628804090381,2.33947012400801,3.5469382127556,2.47818060965462,6.88926738011657,7.92962735852719,6.91185522853699,8.15854304253054,6.45885126540349,3.54329338103677,8.2253448276869,7.1780593444575]
["4.45_306.18298m/z",306.18298,4.45,"Pos","N-dealkylated tolterodine",0,"M+Na","HMDB",1.1132,5.66856627511759e-07,0.490047138313306,1.65627797027311,0.81165427958371,1.39557999693684,1.87402747776574,1.28725290268719,1.93988700286086,1.65627797027311,1.7234761630483,1.71505050723183,1.65867174138102,0.920649195865712,0.630414049677747,0.81165427958371,1.02801414153661,0.68086078789086,0.79470060746353,1.02382724048016,0.603113934171344]
["0.84_307.07548m/z",307.07548,0.84,"Pos","P-cresol glucuronide",11,"M+Na","HMDB",1.13668,0.00275522931335976,0.535604720963781,2.26742530830728,1.21444369956214,1.57566131842034,3.13991562296183,1.735035577339,1.69885780235657,2.26742530830728,2.00843775901723,3.70628559206728,2.00778348598873,0.664807092340065,1.12272768015662,1.21444369956214,1.34894562396636,1.66202992984072,0.934479778924705,1.44547581154072,1.32263998016577]
["8.46_307.20094m/z",307.20094,8.46,"Pos","Val Thr Ala",12,"M+NH4","Metlin",3.63472,0.000294689507156678,1.98706083109656,10.3235015596457,20.5134255889363,16.5916625614821,7.48122721681501,6.65666332561716,11.2848019137405,10.3235015596457,8.20083753868903,13.6972793389272,8.3520390222489,26.4018004085859,14.5139695757388,20.5134255889363,25.5830243480917,14.3497577697348,21.3522678413409,25.0611905789945,16.3319686000671]
["10.12_307.26286m/z",307.26286,10.12,"Pos","8,11,14-eicosatrienoic acid",1,"M+H","HMDB",1.23097,0.000347244009217675,2.66689999395678,0.703635820413714,1.87652636520911,0.922370992574532,0.480991941717801,0.833447558456109,0.764606991364237,0.703635820413714,0.658217698035836,0.643851794146362,0.621963766601121,2.97517644023042,1.36361842274503,1.87652636520911,2.43176955020753,1.12688973665352,1.35633246113887,2.55402798527231,1.32786996021607]
["8.46_308.20144m/z",308.20144,8.46,"Pos","M 344",15,"M+H","Metlin",1.73114,0.00016661231213625,2.0070534206039,2.24850399438606,4.51286763317407,3.62808926998376,1.69795610658995,1.48490951607461,2.39690652260862,2.24850399438606,1.79358114408024,2.89264829794332,1.84543710342192,5.75612686071634,3.30297325045936,4.51286763317407,5.53126545073359,3.21617601424922,4.45735752256007,5.59526234680393,3.73091198669593]
["2.45_309.10035m/z",309.10035,2.45,"Neg","1-Pentadecanecarboxylic acid",8,"M-H","HMDB",2.0944,4.47869571216371e-06,0.511742856294091,6.4217838984464,3.28630203469436,7.46508619890986,5.01515882607378,7.42584881146005,5.68503826797717,6.4217838984464,6.98070459233569,4.96760165295468,7.41304893941358,2.95992222794539,3.89569174056349,3.28630203469436,2.93984195492727,4.04419012670864,2.3453634687192,2.92560947441463,3.89349524958191]
["8.12_309.12818m/z",309.12818,8.12,"Pos","Gly Asn His",9,"M+H-H2O","Metlin",1.06391,5.60685317656546e-06,2.24714311408762,0.624386257703607,1.4030852795296,1.04522373897168,0.551879027539328,0.616255944454759,0.568662832840397,0.624386257703607,0.576297989990522,0.431414481108794,0.58096978901977,1.22346683607316,1.48228743278164,1.4030852795296,1.13111035511796,1.45491056518203,1.89850835321494,1.11980260443458,1.51151080990289]
["0.71_309.16698m/z",309.16698,0.71,"Pos","1-[(5-amino-5-carboxypentyl)amino]-1-deoxyfructose",4,"M+H","HMDB",1.03618,0.0435743224925779,1.2773729302106,4.47899173500984,5.72134279693857,2.44044982048798,3.65622975351521,5.34378684643356,3.40336226380198,4.47899173500984,6.40640309409778,3.91423418155624,6.1884761851761,4.32893651405578,5.44529385461988,5.72134279693857,6.1132859432371,5.81786675443603,6.81734889967282,6.25704465513452,5.26962295741386]
["2.63_310.11363m/z",310.11363,2.63,"Neg","1,7-dimethylguanosine",7,"M-H","HMDB",1.61659,3.51199504239675e-05,0.668294526687572,5.81023957616216,3.88295130749269,5.65258503497773,5.5588179737007,5.55416642202019,5.75466432486523,5.81023957616216,5.47492595584382,6.851650504463,5.82486681726447,3.83938700215556,3.2694687286292,3.88295130749269,5.0148717856375,3.16851513543423,3.30430177523946,5.20600785852706,3.37810686682581]
["18.44_310.31010m/z",310.3101,18.44,"Pos","D-erythro-Sphingosine C-20",3,"M+H-H2O","Metlin",1.2105,0.0435526623753251,0.661600510522724,5.82719141576563,3.85527281558417,9.62012694742338,7.12813749839786,5.98263688952716,5.40397206945306,5.82719141576563,3.67037213387243,5.22329707900748,3.76179729267803,1.68255467928928,7.24732557544952,3.85527281558417,3.99303541964294,2.58866610589532,3.99846290542943,4.36159187446617,3.11527314891656]
["14.96_311.29123m/z",311.29123,14.96,"Neg","Ethyl stearate",14,"M-H","HMDB",1.0923,0.000520749720700394,0.55553711732569,2.19534051767519,1.21959314273756,1.15529112729834,2.15801187760691,2.52812734908055,2.10820833184509,2.19534051767519,3.01772336330098,1.63827442449614,2.76174715009834,0.98501288091669,1.28022324484225,1.21959314273756,1.20678976235644,1.48198848121457,1.08571664830128,1.21183588760143,1.2855850939303]
["1.5_312.13049m/z",312.13049,1.5,"Pos","His Ser Ser",1,"M+H-H2O","Metlin",1.65842,0.0121458652181086,0.79810172665695,13.6830770397666,10.9204874114178,14.5498271963367,13.517186643197,11.8029316085741,13.8106128824158,13.6830770397666,12.7763386354925,16.3573711471839,12.967271165166,10.0432573565383,8.75377497060176,10.9204874114178,14.5682067527243,10.8403517947352,8.75610252705181,14.3824027594981,9.09931571877508]
["6_313.10717m/z",313.10717,6,"Pos","SAPPANONE A DIMETHYL ETHER",6,"M+H","Metlin",7.7243,3.59248080792301e-06,0.35303694991539,64.3194769246428,22.7071519536292,59.6665227642595,47.7996066582794,83.5033884799882,49.5363671282692,64.3194769246428,75.4651176900917,58.5021455741315,75.7631901774798,11.7446846058764,24.4557511257726,22.7071519536292,15.5549149438778,42.3343279524419,24.406997547804,15.3478826626397,25.1055048369917]
["7.34_313.11063m/z",313.11063,7.34,"Pos","Asn Ser Ala",4,"M+Na","Metlin",2.93429,0.000851010025965097,0.283905657058538,9.7627849544121,2.77170987720357,7.00945307997151,1.32433604716923,8.68946209678652,13.4615992624049,9.7627849544121,12.3691575413363,14.1575688144594,11.3279178387569,2.02299049437401,2.11795724207884,2.77170987720357,1.8914066426476,1.73509334339726,7.94058638334304,1.80632676188529,1.88760827269898]
["17.08_313.27375m/z",313.27375,17.08,"Pos","Ricinoleic Acid methyl ester",0,"M+H","Metlin",4.47479,0.000897880172308772,0.569932258703028,39.9847685189448,22.7886094357199,27.9372778688141,43.9654422697734,56.3409681301699,22.6200648831937,39.9847685189448,48.5395155255438,33.3384310701118,47.151679885007,19.141033891291,26.6439696799845,22.78860943572,23.9381066359397,23.2716223752109,20.2010329456619,21.553141453233,24.7713590687187]
["6.01_315.11897m/z",315.11897,6.01,"Pos","DEOXYSAPPANONE B 7,3'-DIMETHYL ETHER",12,"M+H","Metlin",1.18918,3.41721553686761e-05,0.671275128336085,3.11017070031352,2.08778023600009,3.45394513542596,3.04215887749152,2.53078975375998,2.66267700956158,3.11017070031352,3.49697890740749,3.0569173032302,3.52772791531791,1.69709229405219,2.12719236342075,2.08778023600009,2.07891457488012,2.64993314627311,1.68204442748668,2.17889041692777,2.20039442896002]
["4.59_315.12295m/z",315.12295,4.59,"Neg","Sorgolactone",3,"M-H","HMDB",8.08496,4.31219197778303e-05,0.566949427932218,116.264507432857,65.9160959778793,131.131293875029,102.893399865263,135.252606326544,85.0599688077085,116.264507432857,129.243533622076,95.5032941318149,134.767455401563,63.5509332180435,65.9713482661913,65.9160959778793,83.5540252652934,64.043600983509,36.4472985590059,83.2289650037527,64.6165005493594]
["10.39_315.14510m/z",315.1451,10.39,"Pos","Litcubinine",4,"M+H","HMDB",1.65329,7.97843485331854e-07,2.52232709834087,1.22081032113027,3.07928295492109,2.03702063904186,0.788879426186236,1.21110296953836,1.30807978281973,1.22081032113027,1.13209456287265,0.960934265909821,1.10756060154321,2.55810366007191,3.54712115739969,3.07928295492109,3.51173650368858,2.99764565612022,2.1390134974516,3.52836696238018,3.27299324733546]
["9.95_317.14081m/z",317.14081,9.95,"Neg","(s,e)-zearalenone",4,"M-H","HMDB",2.00558,0.00208217558206282,4.19025906265067,1.19629540496672,5.01278766226916,2.12418458532981,0.482003273243999,1.38787107027394,1.20047714840722,1.19629540496672,1.28874749415812,0.557977731645245,1.33280653170872,5.63377504223722,8.03338400278615,5.01278766226916,1.23242127612664,7.56970415068452,3.35070158654136,1.29924798696646,7.97027959054179]
["5.77_317.16390m/z",317.1639,5.77,"Pos","Timolol",1,"M+H","HMDB",1.07882,0.00961649549033677,0.740578022575624,4.66192446900072,3.45251880464947,4.87859577013811,4.17558067861196,5.71531257852799,3.14182164545298,4.66192446900072,4.93323714607483,4.38142730243954,5.40749616175966,2.61442870596763,3.37370127767484,3.45251880464947,4.69153675778289,3.70735208759938,2.18043166908162,4.32032481345059,3.27985632098936]
["10.33_317.17734m/z",317.17734,10.33,"Pos","6-Gingerol",0.00494,"M+Na ","Main Standard Library",2.47169,0.00333610685092607,2.25148799211567,4.10717582212482,9.24725704502182,9.1879981079721,2.38468138520083,4.10951112398722,4.25666529758,4.10717582212482,3.31230477513126,2.21323410517796,3.28583595982436,9.48217993876385,6.94821683373017,9.24725704502182,14.8739445232509,6.01282284398378,6.02895945614713,14.0906513073711,7.29402441190587]
["10.33_318.17961m/z",318.17961,10.33,"Pos","Ile Trp",5,"M+H","Metlin",1.23534,0.00178793914546652,2.38380997677817,0.894564248727543,2.13247118098579,2.09379658974418,0.527171466905183,0.920956477371127,0.663521262627257,0.894564248727543,0.778555456415115,0.516648513420906,0.761299974609036,2.21089919235522,1.60867190329917,2.13247118098579,3.32004820627312,1.4271639738872,1.40112786953495,3.20132459645242,1.75806252509844]
["4.01_319.12879m/z",319.12879,4.01,"Pos","Glu Asn Gly",12,"M+H","Metlin",1.86837,0.00211008784040718,1.71034697001055,4.65544103626822,7.96241947044414,4.74641374837152,6.55973858095315,2.99075306902231,3.79535192697961,4.65544103626822,3.80152360357436,6.92301009632657,3.77129622865002,4.776778372818,9.91427519619807,7.96241947044414,5.80972350985861,9.55669925260998,9.03280561863211,6.45598734582612,10.1906669971661]
["7.22_321.17836m/z",321.17836,7.22,"Pos","Ser Lys Ser",5,"M+H","Metlin",2.27935,0.000792074688118273,0.585270971995748,9.69812421939366,5.67603058842003,11.0718573035916,8.91332283157709,8.49359619561661,8.24567235441375,9.69812421939365,7.91672137836297,15.3640463021473,7.88165317004633,7.70217690918899,5.78426852339399,5.67603058842003,5.23197676992307,4.93845737588566,5.5754013241369,5.39291696155321,5.10701625485842]
["9.1_321.18098m/z",321.18098,9.1,"Neg","PERINDOPRILAT",1,"M-H20-H","HMDB",1.69302,9.43220861330154e-05,4.04852254182573,0.743222966251055,3.00895493246998,1.51234998300207,0.554210220445404,0.647893025032544,0.492306306700615,0.743222966251055,0.590912851241566,0.779460894793803,0.625427482541381,3.16611928411056,4.02283523171465,3.00895493246998,1.25319233706932,3.84444631077954,3.40257185186953,1.2831371492151,4.09038236253116]
["10.12_321.23514m/z",321.23514,10.12,"Pos","3-oxooctadecanoic acid",15,"M+Na","HMDB",2.29444,1.26111209093418e-07,3.12839090515145,1.63801210494521,5.12434217163857,2.7629331251322,1.34945595407782,1.51962877410581,1.52119033368227,1.63801210494521,1.25123966730551,1.8489970302026,1.21263985011026,6.19724200690742,5.48958307661682,5.12434217163857,4.3284964864754,4.21242877263596,6.46558219100592,4.2201220449972,4.95694062283128]
["9.21_323.11768m/z",323.11768,9.21,"Pos","Promazine 5-sulfoxide",4,"M+Na","HMDB",2.07973,0.0035542684744901,1.75698945089309,4.82849042562666,8.48360674156436,7.26653808344181,1.13820459469194,5.41471926317698,8.59568609739705,4.82849042562666,4.7930120639165,1.81109821749736,4.78017465926501,10.160447032946,7.27455102901737,8.48360674156436,10.1958853659162,6.44098564608528,7.9419036367187,10.4477424625492,6.92373201771778]
["14.5_323.15185m/z",323.15185,14.5,"Neg","Norcotinine",2,"2M-H","HMDB",2.5924,3.33534837664739e-05,0.57026227083937,11.6240247672611,6.62874276007137,7.62737243315658,12.8168036831363,13.2174710826448,11.3608430327427,11.6240247672611,14.0679739007727,9.0238395526396,13.2538696857346,5.59820043412222,6.78700945211008,6.62874276007137,6.90652049535716,7.88272621913758,5.71432916433441,6.74555343343734,6.7668601220008]
["10.82_323.19692m/z",323.19692,10.82,"Pos","9-cis-retinoic acid",4,"M+Na","HMDB",1.61871,1.9100635564053e-05,4.04787079944481,0.640088829394823,2.59099688155811,1.2748114878399,0.465630957893096,0.652788477418966,0.399783753877914,0.640088829394823,0.51026017085222,0.63271500480696,0.544631953074703,3.13078704715438,3.59208030767576,2.59099688155811,1.39129783605302,2.66238597375535,2.72294358944852,1.3375373033751,3.29994611344465]
["9.71_323.25720m/z",323.2572,9.71,"Pos","5(S)-HETrE",0,"M+H","Metlin",2.06279,3.86264842020353e-12,4.20858233561461,0.83084402654012,3.49667549374767,1.45227514628692,0.609945749797235,0.774605587733663,0.826860125401182,0.83084402654012,0.699824474842477,0.832734449985329,0.619662651734035,3.53250398858501,3.52038780385732,3.49667549374767,3.75344567283903,2.98409883934148,3.60460831855591,3.61067612244222,3.47100771061272]
["10.38_323.25792m/z",323.25792,10.38,"Pos","8(S)-HETrE",0,"M+H","Metlin",1.60374,0.00010645708331556,4.09574059981382,0.621652439586095,2.54612713578608,0.925019226710155,0.360492050684074,0.814924873214729,0.605363485724467,0.621652439586095,0.505832822436404,0.613740818450701,0.526193799882135,4.77875604800064,2.10979745673401,2.54612713578608,2.37109243578299,1.49886547572411,2.98984288089203,2.21919733024799,1.85533832312077]
["1.44_324.07180m/z",324.0718,1.44,"Neg","DIBOA-Glc",0,"M-H20-H","HMDB",3.44766,0.00725098727095343,0.0855709776149967,11.4010901457072,0.975602429644868,1.57910375796061,20.0859583369187,7.62037384160243,1.68997643710775,11.4010901457072,9.29181798404047,29.580834354235,9.95956630808531,0.568452895953235,1.01886398417238,0.975602429644869,0.959412267292332,0.963573027690248,1.29008351842226,0.981893720569467,1.04693759341415]
["7.45_325.12822m/z",325.12822,7.45,"Neg","Dihydroconiferin",2,"M-H20-H","HMDB",10.8692,1.33826070345153e-05,5.36987276219428,18.7838594938176,100.866935464736,72.9984892482183,6.51972823607453,12.9586139833619,9.26606808407033,18.7838594938176,12.1162176996796,4.49322308668654,13.134676118632,86.4810441804326,100.452881537382,100.866935464736,77.2592585593661,99.2305026536946,164.213212745905,76.8188835144577,101.612765061912]
["7.11_325.13238m/z",325.13238,7.11,"Pos","Mapenterol",0.00178,"M+H ","Main Standard Library",1.38355,0.0289916171958253,1.75332908890252,2.6834594729153,4.70498755275342,3.32092146739632,0.955175495153694,4.71026656148611,1.71675236519089,2.6834594729153,2.2110756987863,3.642110006212,2.22791471618177,4.91717560829785,2.69603717527936,4.70498755275342,7.66904993400607,2.80984198670683,4.32104432524753,7.67544899642863,2.84631484330769]
["13.29_325.18225m/z",325.18225,13.29,"Neg","Isoacitretin",4,"M-H","HMDB",1.9183,9.87575775019974e-06,0.525917554131218,5.78422238877124,3.0420240912536,5.24630013051839,5.75480987489694,7.3898428266518,4.63381632650943,5.78422238877124,7.03418247145185,4.18000792367846,6.25059716769178,2.66666138766397,2.96501532481725,3.0420240912536,3.48896422789048,3.24071870507877,2.57988633905756,3.45958664248848,2.89333601177869]
["10.01_325.27315m/z",325.27315,10.01,"Pos","15(S)-HEDE",2,"M+H","Metlin",1.46216,0.00024502392888663,2.57972889073028,1.03107084360288,2.659883243632,1.15573374587702,0.749307999330425,1.20713415915645,1.23657089332118,1.03107084360288,0.897630000664312,1.04927829440642,0.921840812464362,3.70576172431236,2.11396289071291,2.659883243632,3.81947706721645,1.51971540456313,1.92350805083621,3.61932927158968,1.91742829619323]
["2.17_327.08635m/z",327.08635,2.17,"Neg","Betagarin",3,"M-H","HMDB",2.85497,0.00030135514757778,0.309022172674202,9.06454879181919,2.80114656195928,10.3927162736572,0.260169942153588,10.1452276105289,9.09336102055772,9.06454879181919,11.1569739463379,12.2570037351483,10.1463890143507,2.9908714270746,2.77703224775274,2.80114656195928,2.77520374577633,3.20618938372272,2.26887190034037,2.63596631093576,2.95389091811242]
["7.51_327.14177m/z",327.14177,7.51,"Neg","S-methylmethionine",0,"2M-H","HMDB",5.20875,9.55333039872064e-06,4.39966712618157,5.65101042993296,24.8625648182853,14.1330872422348,3.51774434667837,4.62926361384979,4.76583518830744,5.65101042993296,4.39626446309765,3.43473647961019,4.68014167575252,23.005927182177,27.9684869652121,24.8625648182853,15.2055012438942,27.2717533178575,37.4942143127163,15.3720518728346,27.7200188333052]
["1.58_328.08396m/z",328.08396,1.58,"Neg","8-Hydroxyamoxapine",6,"M-H","HMDB",1.8702,0.00347654910997951,0.564899181676989,6.9236431081731,3.91116032603051,10.0888173586292,5.8174336190482,5.54325940706313,4.42155063792377,6.9236431081731,5.66721783970234,11.0056522887129,5.92157060613213,3.58649785502533,3.92107726283762,3.91116032603051,4.59874144890221,4.10036273992819,2.67753690389233,4.61583875148012,3.87806732014778]
["2.41_329.10228m/z",329.10228,2.41,"Neg","2'-Hydroxy-4',6'-dimethoxychalcone",2,"M+FA-H","HMDB",12.1362,1.20736746264786e-06,0.426093189837548,174.422541699995,74.3202571725236,158.08820778964,108.327563715103,200.338132830226,171.628652939148,174.422541699995,197.934492608476,175.975604661017,208.665137356355,59.7683341827142,90.4710874080146,74.3202571725236,56.8530409521049,89.1444995931986,76.8308313292855,57.2605258128944,89.9134809294532]
["7.18_329.20222m/z",329.20222,7.18,"Pos","8-o-methyloblongine",11,"M+H","HMDB",1.15142,0.0208291787136525,1.46579896954057,3.35967269190375,4.92460476978612,3.82826337703998,1.84520828971454,4.55062945764158,2.05107953773549,3.35967269190375,4.21874139747763,3.17476348825341,3.84902329546362,4.77602100875197,7.07182515491887,4.92460476978612,3.66786757343591,5.68583351635136,3.13505424973871,3.73733820138331,6.39829368392272]
["8.57_330.16146m/z",330.16146,8.57,"Neg","Demethoxyfumitremorgin c",2,"M-H20-H","HMDB",1.7224,1.01305768019768e-06,5.69103861722848,0.42218598980216,2.40267677161692,1.58428515983889,0.611257133749408,0.122173837385432,0.198551517047169,0.42218598980216,0.11150817484274,0.205762267160006,0.121763838591475,2.24242365547919,2.41052362725644,2.40267677161692,2.03809562729585,2.26403577616578,3.47765919058414,1.99515234460402,2.39084717993305]
["10.62_330.17246m/z",330.17246,10.62,"Pos","(s)-reticuline",7,"M+H","HMDB",1.05503,1.18467771709421e-07,2.55802539253311,0.4787570137061,1.22467259791353,0.788346201397562,0.454882060192383,0.421925534195876,0.394803920842237,0.4787570137061,0.351524293047785,0.592099836201177,0.347717250065677,1.53412001697071,1.2956011101758,1.22467259791353,1.08857139901925,1.04222370394601,1.27103307336726,1.09884736087985,1.24231152103582]
["2.65_331.11476m/z",331.11476,2.65,"Neg","Mytilin a",0,"M-H","HMDB",2.61933,0.0143215838911541,0.448559487196182,12.7062554559195,5.69951143149095,26.8421285538275,5.96567495597185,8.11226429662578,14.4890104875442,12.7062554559195,8.80828469728539,15.5061194920299,9.22030570815204,2.98378906770789,8.33594592222119,5.69951143149095,2.67163545413015,8.12958272007345,6.89900544080967,2.58885696119829,8.287764454296]
["2.61_331.12371m/z",331.12371,2.61,"Pos","Asn Glu Ser",5,"M+H-H2O","Metlin",1.20733,8.2829193285268e-05,0.499749804793871,2.21198040177601,1.10543677399543,2.68393513768587,3.02433481371691,2.06268570673615,1.71959512958246,2.21198040177601,1.64761086230382,2.70420302417629,1.64149813823055,1.01398209408258,1.05140109340587,1.10543677399543,1.41943786022638,0.947781324497632,0.959332673336677,1.39030880009368,0.955813572325187]
["17.09_331.28418m/z",331.28418,17.09,"Pos","Glycerol 1-hexadecanoate",0.00018,"M+H ","Main Standard Library",3.94189,0.000829335190710581,0.575222410620492,31.2247474926806,17.9611745237559,21.964282043622,34.4738353135382,43.1413249086294,17.8920814552241,31.2247474926806,38.114481476555,26.2552604213966,36.7319668297987,14.9033381282947,21.3204174122624,17.9611745237559,18.8118756240962,18.2077740304327,15.9122445379003,16.7928780681103,19.7796938651945]
["5.97_332.12202m/z",332.12202,5.97,"Pos","Nizatidine",3,"M+H","HMDB",1.33895,0.000150473511392922,0.529559165763745,2.84975478689957,1.50911376758177,3.02969258400919,2.45112868777727,2.98273127394611,2.28858617954973,2.84975478689957,3.35473262302066,2.65954511357156,3.18186704642245,0.792272732619569,1.76871269287397,1.50911376758177,1.04295331541294,2.39217114714827,1.10829559718059,1.00536189238993,2.45402899544715]
["6.1_333.16639m/z",333.16639,6.1,"Neg","4-chloromethandienone",11,"M-H","HMDB",2.2425,0.00395037541464014,1.80528072390805,5.29373463977558,9.55667710267119,10.8070028949748,3.66180061801791,4.78713068181558,4.57549359424689,5.29373463977558,4.65704441865115,3.71700364271822,4.85066662800445,9.17378783640645,7.68860715819127,9.55667710267119,13.6710152072355,7.43992148423523,7.5099464976873,13.6215902067562,7.79187132818633]
["8.35_333.20257m/z",333.20257,8.35,"Pos","PGB3",10,"M+H","Metlin",1.27693,0.0117363031513509,1.52379876163883,2.98160256691311,4.54336229916134,4.04347459241709,3.57315056491386,2.568954425017,4.02631475157142,2.98160256691311,2.28068096560468,2.27043670691547,2.10820596195224,4.65951349186725,3.99461400257696,4.54336229916134,6.43815416813939,3.48529289848004,2.81410076385343,6.40911732688482,4.00274344232751]
["9.26_333.20557m/z",333.20557,9.26,"Pos","19(R)-hydroxy-PGA2",11,"M+H-H2O","Metlin",1.13664,0.000215500499388942,1.46157973761515,2.16889958857935,3.17001969158943,3.0992713712526,1.78393696366368,2.15718086002907,2.2391835131372,2.16889958857935,1.86123711508143,2.28775234435809,1.75373495253341,3.32755064064616,3.20968058543613,3.17001969158943,3.58331794940831,2.81883336242375,2.48464403852069,3.62213472685019,3.14397653784078]
["5.76_334.16638m/z",334.16638,5.76,"Pos","EPIAFZELECHIN TRIMETHYL ETHER",5,"M+NH4","Metlin",2.25356,0.00664972957658191,0.666849129964033,15.506732962671,10.3406513847417,12.2455296232053,16.9655533643433,20.9013936236916,10.4442450217105,15.506732962671,16.7732986389802,11.9003894962108,19.3167209705552,7.73968029281033,9.84102237199384,10.3406513847417,14.3573087870667,11.4610946453413,6.24974644096936,13.3305548649319,9.40515229007873]
["2.88_335.05413m/z",335.05413,2.88,"Neg","Dicumarol",6,"M-H","HMDB",1.10296,0.00140095467661801,0.749979738344568,4.10545660071131,3.07900926718645,3.69117776873424,3.78104985070252,4.31434200231026,3.31443394833101,4.10545660071131,4.11956063658202,5.15138819921857,4.36624379910056,3.02798627698123,2.70827727178035,3.07900926718645,3.7333349385755,2.67622331817257,2.77256285656456,3.90924444948924,2.72543575874168]
["1.6_335.08874m/z",335.08874,1.6,"Neg","L-N-(1H-indol-3-Ylacetyl)aspartic acid",1,"M+FA-H","HMDB",1.11654,3.25860306783437e-07,1.74710733601197,1.13980094064867,1.99135458500064,1.54323626743967,0.933890026175669,1.01364112778415,1.07735070510494,1.13980094064867,0.991514672015803,1.3324648612124,1.08650892480806,2.00031603508194,2.11921030815608,1.99135458500064,1.78735722849731,1.98713977847065,2.24760627775706,1.71135629413987,2.08649617290156]
["4.74_335.10446m/z",335.10446,4.74,"Pos","Penicillin G",0.00076,"M+H ","Main Standard Library",1.04279,0.000926106405750261,2.22204255019012,0.762056583608371,1.69332215443032,0.893189471531921,0.521304106547735,0.711332664462782,0.476575744091177,0.762056583608371,0.729041172593998,1.33170315649746,0.671249769533526,1.45182117456435,2.02462306038694,1.69332215443032,1.00796475361824,1.5967949292832,2.77748012933415,1.05720594517539,1.93736508864994]
["4.04_335.11405m/z",335.11405,4.04,"Pos","Mukurozidiol",5,"M+H","HMDB",1.19477,0.00820540463035251,1.67700770823053,2.20529104949577,3.69829008889619,2.854802020318,1.86177274344509,1.69955806640461,1.5327823328164,2.20529104949577,1.95098764922163,3.63733074202667,1.89980379223795,3.01529998472111,4.77292372151517,3.69829008889619,2.1385759613207,3.78329865571628,5.31535326713799,2.22454474490556,4.63803428695651]
["5.76_335.16892m/z",335.16892,5.76,"Pos","Ala Asn Asn",5,"M+NH4","Metlin",1.0301,0.0301683001705525,0.705648509730038,4.40817049688463,3.11061894176255,4.09423688054372,4.60884956993552,5.58746082886041,3.05112430121882,4.40817049688463,4.66497067391194,3.73654536249006,5.11400586123191,0.357377983367696,3.44115113433863,3.11061894176255,4.46448439665448,3.74290032975008,2.27052534317453,4.18320497786155,3.31468842719092]
["1.86_336.15542m/z",336.15542,1.86,"Pos","Phe Ser Thr",1,"M+H-H2O","Metlin",1.37266,0.000163363788739792,1.61960479204582,2.61429319681001,4.23412178936629,2.64893965082252,3.06777637658299,1.730850749543,2.4201947387323,2.61429319681001,2.20701555790211,4.02346239830224,2.20181290578489,3.99735916485634,4.201372940846,4.23412178936629,4.11671529356953,5.49770289347134,3.5213971453395,3.90132373500361,4.40298135247768]
["4.56_337.11430m/z",337.1143,4.56,"Neg","(s)-2-aceto-2-hydroxybutanoic acid",1,"2M+FA-H","HMDB",1.26864,4.82506866221927e-07,0.574026009708753,2.63068416437801,1.51008113368192,3.09481214876477,2.16713647198502,2.83069263088284,2.21883448093822,2.63068416437801,2.74702026424859,2.37770166418998,2.97859148963666,1.41039981500952,1.55104133501099,1.51008113368192,1.59176471945579,1.50777402123781,1.2969530856716,1.60059602898787,1.61203893039984]
["3.04_337.13119m/z",337.13119,3.04,"Neg","Acetyldeoxynivalenol",6,"M-H","HMDB",2.37962,0.00811388285294331,0.44051335147447,9.89362985918014,4.35827604751533,21.006333308865,5.19169622800626,8.65476517749293,6.97051500018734,9.89362985918014,8.32047165481059,10.6572590988993,8.45436854599956,3.85298024395002,6.40757009613373,4.35827604751533,2.63022236584522,6.05659539939895,2.605513265458,2.69164115942796,6.26340980239344]
["3.31_338.08724m/z",338.08724,3.31,"Pos","3-indole carboxylic acid glucuronide",1,"M+H","HMDB",11.3443,0.00770138740145774,1.54535108074748,216.781986515461,335.004277148253,86.3493469203417,407.86572309575,250.87123683001,201.065436533183,216.781986515461,251.888829039942,69.9850241631865,249.448309025814,323.51608636316,313.510142545776,335.004277148253,349.657105730079,351.590396145436,332.087119139796,360.931308406488,313.737781707034]
["1.71_338.08737m/z",338.08737,1.71,"Neg","Topiramate",-0.00423,"M-H ","Main Standard Library",1.8358,0.045901209157004,0.472461316766322,8.11247213672926,3.8328292679492,2.97975752429015,20.0581108757417,5.35361587362073,11.0738666764008,8.11247213672926,5.23889080373865,6.60482679125159,5.4782364120612,5.23664194390178,2.58242335080173,3.8328292679492,4.76961204982214,2.28678458626679,4.85242224076415,4.74272225721766,2.35919844687017]
["19.68_338.34178m/z",338.34178,19.68,"Pos","Erucamide",-0.00012,"M+H ","Main Standard Library",6.96895,2.64840714331494e-06,0.561501980873378,80.3611946303338,45.1229699702835,86.2602516024922,98.8909069877391,96.9110824206116,67.7338040824716,80.3611946303338,70.7150018196354,72.2512500656102,69.766065433776,40.6597152287296,47.835650356169,45.1229699702835,53.6763503489913,39.3165707889829,44.9417112147194,45.4729806822062,43.9578111721861]
["5.75_339.09273m/z",339.09273,5.75,"Neg","3'-ketolactose",2,"M-H","HMDB",3.55972,2.07409863787538e-06,4.23752121614945,2.65300948521111,11.2421839802278,5.51832961142639,1.9797749473634,2.15529094236431,2.59029236127521,2.65300948521111,2.1079528811843,1.98669905489861,2.23272659796553,10.8686501585442,11.1814002825762,11.2421839802278,8.54358712215826,10.6801664687066,17.9113688084332,8.55524362289458,10.9548713982814]
["7.37_339.12476m/z",339.12476,7.37,"Neg","Dolichin b",3,"M-H","HMDB",1.01928,0.00132432629517716,1.7211077215368,1.37606858038056,2.36836225905716,1.44726325851864,1.18324373549336,1.114464713,0.88624386931358,1.37606858038056,1.14582975252004,2.65142072488213,1.20401400893616,2.66426895037047,2.7426381999219,2.36836225905716,1.70818853499341,2.59217065433671,2.5611738798857,1.63050839435382,2.67958719953815]
["8.03_339.19061m/z",339.19061,8.03,"Pos","Phytocassane e",7,"M+Na","HMDB",2.39154,4.70132862795991e-07,2.1255195542266,3.37732613359545,7.17857273795764,4.6103865970827,2.87014662230891,3.39281314727102,3.68169766541994,3.37732613359545,3.00802123788725,3.09689949660082,2.98131816859751,8.40458025830456,6.82952403146988,7.17857273795764,8.84426779998924,5.74497070950725,6.16705742423004,7.77180122678467,6.48780771541786]
["13.65_339.19798m/z",339.19798,13.65,"Neg","Canrenone",4,"M-H","HMDB",1.63924,1.47139773286975e-05,0.536748658109722,4.34010159149125,2.3295437052928,3.82779339677276,4.22286816661498,5.49817481205327,3.54971513641201,4.34010159149125,5.42680747044686,3.1635241347594,4.69182802337946,2.04998237151626,2.20674082467861,2.3295437052928,2.58000932399775,2.59142911305695,1.96036509745342,2.66050952285207,2.2577696834945]
["8.9_339.25229m/z",339.25229,8.9,"Pos","13,14-dihydro-PGE1",3,"M+H-H2O","Metlin",2.48761,5.96112376356423e-08,2.64890816003022,2.49927929574558,6.62036132069503,3.50155948322128,1.93876496849269,2.17279588619008,2.74324766052382,2.49927929574558,1.89350045124415,3.41927054975443,1.82581607079259,8.40537589089929,6.68468704231622,6.62036132069503,6.10076936564013,5.30125014176161,7.19162535156132,6.32622447593259,6.33259697675409]
["1.47_341.02710m/z",341.0271,1.47,"Pos","3,3',4',5,5',8-Hexahydroxyflavone",1,"M+Na","HMDB",2.31347,1.1260640254428e-06,18.1850979502885,0.212845647394582,3.87061894616304,0.310775897594318,0.192542247306598,0.242619534443231,0.142026837643461,0.212845647394582,0.246168008262708,0.107936649401245,0.247850357110511,5.9916362446158,3.53257964818773,3.87061894616304,2.67259312720513,3.43092267089671,5.62715862058811,2.64023914907198,3.19920316257582]
["4.18_341.12178m/z",341.12178,4.18,"Neg","Metronidazole",1,"2M-H","HMDB",3.08757,0.000117378180651143,3.37672685895449,2.98707869173755,10.0865488482008,8.87250941225791,1.39665751001251,2.49797110214439,2.18990365232025,2.98707869173755,2.32277153815484,1.16442760706537,2.46531002020756,8.02430795979484,11.5571938772634,10.0865488482008,6.66916885309273,11.0270137352197,15.3017822877268,6.68118659303575,11.3451886312725]
["5.4_341.12379m/z",341.12379,5.4,"Neg","1-(3,4-dimethoxyphenyl)-1,2-ethanediol 1-o-b-d-glucoside",0,"M-H20-H","HMDB",2.54125,0.000545501660031265,3.5376643730517,1.99895330139103,7.07162587772513,5.34708786319921,1.01574424960943,1.55913060760396,1.94025084754253,1.99895330139103,1.53893138002261,0.925659484583538,1.66586867717592,6.19737057523103,7.44165214358237,7.07162587772513,3.9858561028311,7.13537970514592,13.3439866931217,4.07705952329267,7.3200764008711]
["1.6_341.13859m/z",341.13859,1.6,"Neg","Quassinol",1,"M-H20-H","HMDB",2.11654,3.01964481057336e-05,4.06675256656369,1.09695741034748,4.46105436394167,1.80157551325492,0.641787554108906,0.922276297307517,0.991017145163869,1.09695741034748,0.860441567851442,1.50809167645763,0.953512118288063,3.95208278527369,4.79744376591161,4.46105436394167,2.36425565004541,5.59379437893451,6.64329836611556,2.35724198530725,5.51926361600365]
["18.52_341.30484m/z",341.30484,18.52,"Pos","Hexadecyl Acetyl Glycerol",1,"M+H","Metlin",3.29314,0.000319137684220774,0.576698312836578,21.6024517192973,12.4580974596524,15.9817797609158,27.8422974330636,29.7511080331875,16.0775303334627,21.6024517192973,23.2132795891032,16.2773385240736,22.0738283612749,13.4188221573692,12.6930423731944,12.4580974596524,12.7520428410012,9.98930701291463,14.1300631016609,12.1627319588229,12.0606727726036]
["0.81_342.15474m/z",342.15474,0.81,"Pos","Mycotoxin t 2",0,"M+H","HMDB",7.19404,0.000501215654167772,5.2630418479461,10.2789210382322,54.0983915759498,29.5002143828665,4.33120201806018,5.95939776822476,7.84123553614306,10.2789210382322,8.25919103205503,8.1143458502818,7.94686067999433,44.4091834100049,62.7276097981994,54.0983915759498,17.3679146863959,90.7374175473065,73.0536134356674,17.8678560665008,72.5251460875737]
["2.06_343.04254m/z",343.04254,2.06,"Pos","Trans-3,3',4',5,5',7-hexahydroxyflavanone",0,"M+Na","HMDB",1.29959,3.9685219436265e-05,5.0723841420154,0.30043134857467,1.52390320827446,0.28259129250211,0.333183847415105,0.356204890978156,0.212908508150928,0.30043134857467,0.314936235696857,0.306767164432485,0.296427500847049,1.90718487349146,1.59008309397818,1.52390320827446,0.913539142776821,1.08839171824909,2.69845476519731,0.963189196866592,1.50647966736174]
["8.12_344.17162m/z",344.17162,8.12,"Pos","His Gly Asn",12,"M+NH4","Metlin",4.8673,1.62568567908943e-05,5.01628753420487,4.13370309892299,20.7358433252314,12.6560152624147,1.96185502365394,3.69111431785611,2.27666050735159,4.13370309892299,3.22338278920732,1.62284568324701,3.50404810873025,13.0928655951817,20.1493475050968,20.7358433252314,16.5395173008014,22.9007843113652,34.3984226979971,16.4300205397733,21.6399453264047]
["2.42_345.09718m/z",345.09718,2.42,"Neg","2',4-Dihydroxy-4',6'-dimethoxychalcone",2,"M+FA-H","HMDB",1.34244,0.000804197950593117,0.51300701992465,2.90673059681527,1.491173201196,3.84286242166352,2.68584450416782,2.61119791127936,2.56390562959824,2.90673059681527,2.49756086217718,3.43295564657924,2.71278720224157,0.347870877369071,2.3032746539357,1.491173201196,1.30639295616415,2.34369108207978,0.41536455897075,1.39446435951798,2.3271539203346]
["4.63_345.13732m/z",345.13732,4.63,"Neg","Desmethylclomipramine",1,"M+FA-H","HMDB",3.16761,0.000287436222917351,2.83808553405885,4.53128012426069,12.8601605714327,6.39124479592972,2.15228600894848,4.48962692840906,4.65975429151933,4.53128012426069,4.35814124998445,5.02414473832956,4.64376285670427,12.091931843066,16.7787376343816,12.8601605714326,5.75506589948566,17.2792414882797,16.0316910710574,5.69425754700449,16.3901985167537]
["10.82_345.17992m/z",345.17992,10.82,"Pos","Formoterol",-0.00228,"M+H ","Main Standard Library",1.35582,3.31920940718594e-05,3.52123276004803,0.552472919031829,1.94538574153424,1.01248403580204,0.548682966150739,0.529129715327823,0.392949563498813,0.552472919031829,0.37656043591027,0.615461368232362,0.392042348300757,2.07040716391222,2.86790859860852,1.94538574153424,1.15112007264813,1.96967480238427,1.9943911735809,1.01480677127825,2.54939160832742]
["7.2_345.18828m/z",345.18828,7.2,"Pos","Ser Thr Arg",1,"M+H-H2O","Metlin",2.11665,4.04025343824559e-05,1.61946688986001,5.19453926597016,8.41238434931642,8.44143342325698,4.9449825115803,4.67294962083892,4.40419666933487,5.19453926597016,4.36144801146116,5.4574371143615,4.07932751095739,8.54691637459512,8.95719401677368,8.41238434931642,7.98285206597949,7.42667205982854,9.70349602347376,8.12927509971067,8.14028480485366]
["5.65_346.20314m/z",346.20314,5.65,"Pos","Rosmaricine",5,"M+H","HMDB",1.70007,5.69289802763808e-05,0.710372794714209,7.12862006832054,5.06397776038866,6.90528757070675,6.97153730399361,7.04513920530735,5.71644788151433,7.12862006832054,6.86653652442766,9.31736451701564,7.07802747527846,4.87844548706868,4.69554561180072,5.06397776038866,5.14211905696332,5.27818798494213,5.39341833838902,5.28622674551911,4.77390109803765]
["7.44_347.11275m/z",347.11275,7.44,"Neg","7-beta-d-glucopyranosyloxybutylidenephthalide",1,"M-H20-H","HMDB",1.54741,0.000307266420955893,3.45760099231244,0.734577592617602,2.53987621316511,1.36747983593216,0.496533250034063,0.682314336166873,0.661842975287346,0.734577592617602,0.643639645382723,0.575127461553424,0.715105643966624,1.58543175133391,1.99174148523604,2.53987621316511,4.18592824262467,1.87879885443207,2.00181698038574,4.15548294581002,1.97993323233329]
["4.67_347.13911m/z",347.13911,4.67,"Pos","Gln Ser Met",1,"M+H-H2O","Metlin",1.7636,0.0039181275844658,1.88323094596323,3.06096047422785,5.76449548943616,6.49480005124778,1.19231411688517,4.17566912774807,1.88975762757856,3.06096047422785,2.50159943898311,1.88573245936915,3.28685049778313,4.87355963057728,7.19876700866114,5.76449548943616,4.07874114487019,5.41944447634489,8.08434139058086,4.07535088526039,6.62126388975835]
["6.03_348.14446m/z",348.14446,6.03,"Pos","Val Asp Asp",12,"M+H","Metlin",8.70947,0.00659901834245207,0.453463319452291,124.688182235282,56.5415170128831,125.598927039981,110.295206316506,48.7157646405173,112.107926941605,124.688182235282,156.229743514128,121.649448381252,198.220258812986,27.422461367645,36.2988469807261,56.5415170128832,23.1466725374325,147.946228927916,49.6148592784134,21.8380554771114,89.5234945209382]
["7.32_348.14734m/z",348.14734,7.32,"Pos","Gln Asn Ser",12,"M+H","Metlin",2.13837,0.00117246948791463,0.334364113043192,5.79360511056872,1.93717363411782,4.2384668270687,1.05905901429253,4.99892064474654,7.37181488967271,5.79360511056872,7.53184015127416,7.22226169071583,8.1328725562106,1.35694580587238,1.43863922060708,1.93717363411782,1.37215409462095,1.40070114251234,5.1485025683167,1.52819832620635,1.31507428068892]
["5.55_349.14837m/z",349.14837,5.55,"Pos","Trp Ser Gly",7,"M+H","Metlin",5.0762,0.000309799480651469,0.422164512869896,34.5294202363882,14.5770958737748,30.7238982694494,25.5656831119721,44.0674781625356,28.9837956218188,34.5294202363882,40.6564447513231,28.1090047232523,43.5996370143663,8.3044105579729,11.5144005025998,14.5770958737748,7.14948746784957,34.4838976479109,12.9139511707016,6.55740740096361,21.116116368425]
["0.73_350.10365m/z",350.10365,0.73,"Neg","Isorheagenine",2,"M-H20-H","HMDB",1.09306,2.66290843607871e-07,0.285591360716799,1.10824112813975,0.316504091787752,0.765970542109599,1.26866674943145,1.10727513137555,0.857593370880964,1.10824112813975,1.08562579352399,1.45945663470754,1.21309967494916,0.310830626099643,0.25135938961436,0.316504091787752,0.476897448669948,0.229727440383457,0.227182170441998,0.475151591787247,0.244379975517613]
["8.09_350.12237m/z",350.12237,8.09,"Pos","Voriconazole",0,"M+H","HMDB",1.12433,1.28925032636406e-07,3.03225221451962,0.40771619929934,1.23629834822094,0.900526694118399,0.266344330602836,0.395302343323007,0.29695999260282,0.40771619929934,0.351572688534913,0.257947312758442,0.385360033154963,1.08864815750633,1.34558443811709,1.23629834822094,1.09311143996171,1.25479158576031,1.41903669658462,1.13832777687021,1.31458834274634]
["8.06_350.12442m/z",350.12442,8.06,"Neg","Zanthodioline",0,"M+FA-H","HMDB",1.32932,0.000309265047062827,0.542554069414504,2.88031795765746,1.56272822913473,3.22594474374583,1.39267240570405,2.92701765978381,2.83483291658351,2.88031795765746,2.93403590516342,3.72746599055198,3.12025608206964,1.10379320697978,2.01479006044478,1.56272822913473,1.35450226065468,2.00448625659157,1.05583327830277,1.35603346120827,2.04965907976127]
["10.37_350.19653m/z",350.19653,10.37,"Pos","Gibberellin A4",1,"M+NH4","Metlin",2.73148,5.81603320475034e-05,2.61833765357153,3.29737448333771,8.63363976764911,5.88145451785703,1.87044005601995,3.6274035489838,2.7725228624584,3.29737448333771,2.9610354861755,2.80302525291563,3.16573965895368,8.59547027497429,7.03140941140803,8.63363976764911,11.9472528655302,6.35316573474435,6.74714839328439,12.5977553716365,7.16327632196602]
["0.64_351.07148m/z",351.07148,0.64,"Neg","Isoferuloyl c1-glucuronide",0,"M-H20-H","HMDB",1.29212,0.000142434025804729,0.310637949388847,1.92521644427277,0.598045288378579,0.983104421907203,1.36220828604884,2.57359795849685,2.18970010848011,1.92521644427277,2.96830947096326,1.08677829876904,2.31281656524408,0.544944611945164,0.572251671321107,0.598045288378579,0.744578152388768,0.498427218913296,0.548494563564433,0.724975396017457,0.552645404499831]
["7.8_351.14143m/z",351.14143,7.8,"Pos","3-hydroxy-4-isopropylbenzyl alcohol 3-glucoside",0,"M+Na","HMDB",1.1738,0.000143211603005236,2.41599001795333,0.757174138175595,1.82932515968466,1.25915082223142,0.653539975830955,0.794967689682857,0.638724811377478,0.757174138175595,0.756616044968712,0.508337225420514,0.68888239771723,1.43520709565177,2.29951030269747,1.82932515968466,1.03723394911861,2.27614643205005,2.27715941980893,1.17111562784887,2.3089032906169]
["10.34_351.20465m/z",351.20465,10.34,"Pos","Cys Leu Val",4,"M+NH4","Metlin",1.69866,2.2759353076763e-06,2.00934509962007,1.95261516686202,3.92347771697803,3.02416784931164,1.3490837355047,2.12827764434009,1.80342469368378,1.95261516686202,1.60434291506491,2.09025228427221,1.66875704585683,4.01943641014574,4.06711299274321,3.92347771697803,4.56564947269989,3.15588510384718,3.21082500981211,4.54393700196353,3.90149802763454]
["8.53_351.21636m/z",351.21636,8.53,"Pos","PGG2",2,"M+H-H2O","Metlin",1.48799,0.00215212880291054,1.54005853964474,3.42845470372856,5.28002094426235,4.25640061040203,2.83624371350787,3.35838961259401,4.10484817208088,3.42845470372856,2.97082026043588,3.66571845972086,2.80676209735838,5.36832013520264,4.56394595448681,5.28002094426235,7.00097757249411,3.73487593258064,4.60122745444074,7.35029970329753,4.34049985733402]
["6.9_353.03320m/z",353.0332,6.9,"Neg","Cis-resveratrol 3-sulfate",1,"M+FA-H","HMDB",2.76086,0.00077798072691342,2.45366729083208,4.68190336172293,11.4878331374963,6.21702332445724,4.4454974282366,2.54990005913407,8.77165122325646,4.68190336172293,2.52107941743907,5.65112136030011,2.61705071923695,6.6347781105777,15.866956663075,11.4878331374963,8.53826380035212,15.7265091804836,8.74466781321907,8.58153761265743,16.3221187821093]
["5.59_353.10009m/z",353.10009,5.59,"Pos","Americanol a",2,"M+Na","HMDB",5.19289,1.95097437573407e-05,0.344950644721367,29.7356696200994,10.2573384066749,21.5109139252501,28.0176561383002,29.9388435636155,26.6760319943386,29.7356696200994,41.0423678526376,21.0685849865584,39.8952888799956,4.75748866334912,13.4965991714557,10.2573384066749,7.02543999548098,18.2771695634667,6.62776413564332,7.67590267368351,13.9410046436447]
["2.65_353.12538m/z",353.12538,2.65,"Neg","Methyl helianthenoate f glucoside",3,"M-H","HMDB",1.53741,8.42789382890056e-07,0.491917241116176,3.07374065209232,1.51202602148389,3.37577383733176,2.1528511160412,3.11281869151699,2.74878930378528,3.07374065209232,3.0426751446896,3.80108682462835,3.28218964665306,1.39765373785851,1.80245504820971,1.51202602148389,1.2959159185035,1.6984383929891,1.26878073682107,1.33481700044364,1.78612131556169]
["3.46_353.12661m/z",353.12661,3.46,"Neg","Methyl (r)-8-hydroxy-9-decene-4,6-diynoate glucoside",7,"M-H","HMDB",1.09471,0.0257397331065092,0.694672582546772,4.08413021967833,2.83713328716126,4.45373177310253,2.72031775876045,4.69473842738848,4.13195589651078,4.08413021967833,4.37155753233383,3.51836780039016,4.69824234926211,2.5740509313014,4.37177786877749,2.83713328716126,1.3725014459682,4.07267366899643,1.87746528838206,1.41324023610137,4.17822357060192]
["5.04_355.10758m/z",355.10758,5.04,"Neg","1-o-feruloylglucose",12,"M-H","HMDB",1.25206,8.41402853057979e-06,3.22913615462049,0.512467178253833,1.6548262933558,0.81931681864985,0.463685791508561,0.476066432637609,0.49081933938196,0.512467178253833,0.441175959199972,0.457078082884771,0.439127823514112,1.31294656025692,2.38799716184066,1.65482629335579,1.17989017429501,2.19980515771282,1.82635582978978,1.17151551029986,1.50527365929551]
["14.69_355.28438m/z",355.28438,14.69,"Pos","1-Linoleoyl-Rac-Glycerol",0.00098,"M+H ","Main Standard Library",1.34948,0.0048485311115886,0.62186171663557,4.71586137489966,2.93261365001048,3.30631299201893,4.25253662964711,7.71165650703516,3.00267582964671,4.71586137489966,5.33349022800083,3.97497132798821,5.42938610996069,2.91015251720334,3.18268887458599,2.93261365001048,3.17608802746348,2.5819825576352,2.57934916487158,3.09454346685252,3.00349094146128]
["5.39_356.17318m/z",356.17318,5.39,"Pos","Phe Ala His",2,"M+H-H2O","Metlin",1.08673,0.00261820948100422,0.727101992920019,3.77320257851568,2.74350311452971,3.80884686432535,3.58719386505,3.71180318526138,2.84576624570432,3.77320257851568,4.25491560327155,3.48418388073277,4.7197084052644,2.13720532666579,3.56280074406588,2.74350311452971,2.39998586733102,3.21733163415043,2.17466160370979,2.30306310384845,3.40947352193659]
["10.32_357.17034m/z",357.17034,10.32,"Pos","Lys Ser Thr",12,"M+Na","Metlin",1.59686,0.00611694533414625,2.07606488053354,2.08046393788324,4.31917811665589,4.90944942052037,1.18728685661027,2.30203006447438,1.48532287534583,2.08046393788324,1.71117097907151,1.26055717759546,1.70743019156484,3.58016063467736,3.54289038417681,4.3191781166559,7.01329661178944,3.16778705861173,2.86863235232601,6.44399344695472,3.61748632805521]
["11.25_357.27658m/z",357.27658,11.25,"Pos","Docosatrienoic acid",1,"M+Na","HMDB",2.05202,0.000656592023633909,0.616044244324744,9.20303806032395,5.66947862736413,10.3780497862733,7.70445670309797,11.1479585541923,7.51672416091709,9.20303806032395,9.35071044416912,8.9448622600749,9.37850451354292,10.2903377086063,5.50262520010406,5.66947862736413,5.194082202897,3.94343900029913,4.67365853423794,5.25092476542322,4.8312829799812]
["9.8_357.27803m/z",357.27803,9.8,"Pos","Docosahexaenoic Acid ethyl ester",2,"M+H","Metlin",1.8532,0.0197771482692875,0.615443593448064,10.0262674508338,6.1706020688125,16.9455980867111,14.497865126153,6.73644906726476,9.99598491554408,10.0262674508338,5.89556176421356,10.4692453899875,5.64316780596242,7.88976524106326,6.28033830778249,6.1706020688125,5.96787288174534,4.90592342638228,6.6302399413975,5.67979892484663,5.84027575847001]
["6.61_358.15595m/z",358.15595,6.61,"Pos","Almotriptan",0,"M+Na","HMDB",1.9851,4.47654885701053e-05,4.01935936162482,0.988355965601618,3.9725578029586,1.13667361199251,0.815412193325389,0.954482663478614,0.818450562255897,0.988355965601618,0.860160539543052,1.39695366888738,0.936358519728482,2.54145826023506,4.63676870395674,3.9725578029586,2.4037896472665,5.04641050571842,6.10532068225331,2.22482424821452,4.84933257306567]
["4.67_359.12961m/z",359.12961,4.67,"Neg","Nitrendipine",13,"M-H","HMDB",1.24058,3.8516356620018e-06,1.8653535672868,1.25026805006621,2.33219196725572,1.90636260228343,0.990913884973097,1.11270557851753,1.06527389370832,1.25026805006621,1.02872494885613,1.46389973676251,1.18399570536249,1.79258642256689,2.53134987737703,2.33219196725572,2.17612100483996,2.46720504716028,2.6726648308455,2.13380607114339,2.55161051685698]
["5.47_360.17249m/z",360.17249,5.47,"Pos","Grepafloxacin",2,"M+H","HMDB",2.00321,0.00183028452860019,2.85956699584987,1.80048320862872,5.14860235997656,3.27501606653259,0.0955372387188293,3.20434916870582,1.67537805848481,1.80048320862872,0.505211904327809,2.13385853748068,1.71403148615048,4.8173176984932,4.77579704699906,5.14860235997656,3.49920126522497,4.6229256523558,10.3811704009262,3.47958659960189,4.46421785623475]
["19.68_360.32288m/z",360.32288,19.68,"Pos","N-Cyclohexanecarbonylpentadecylamine",2,"M+Na","Metlin",1.82074,1.27897332177146e-06,0.584002559840241,5.68334391192023,3.31908739301386,5.56839104999603,7.19912351017451,6.46645676569512,5.01881477335347,5.68334391192023,5.15328240990881,4.9986092660391,5.37872960827454,2.82321493036354,3.58109770542763,3.31908739301386,3.79735435258323,3.04620269602275,3.27071348139016,3.32128835143971,3.39374023387002]
["6.37_363.01813m/z",363.01813,6.37,"Neg","Hesperetin 3'-o-sulfate",2,"M-H20-H","HMDB",2.70632,1.57215705635691e-05,2.91242483353285,2.71437651081957,7.90541755766917,7.14585624395357,1.57908532659305,2.59565387101833,1.59742821910301,2.71437651081957,2.37183708097629,1.09428084302525,2.61649399106751,6.30236347297076,9.27803785148036,7.90541755766917,6.5412286786342,8.84142679214849,8.60747510082159,6.49347408428911,9.27391692333966]
["6.18_363.18340m/z",363.1834,6.18,"Pos","Ser Lys Glu",11,"M+H","Metlin",1.88744,0.0018597027168711,1.73671887295504,4.28177490210126,7.43623928222449,5.29027470103977,2.96519087631834,5.522456576307,2.64520018811957,4.28177490210126,5.06981795612498,3.59678914533174,4.88269487146741,5.02326887912491,10.2214798059447,7.43623928222449,5.30538820574,8.6628393319577,8.202731219042,5.1461101017762,9.49185743198598]
["5.82_365.10663m/z",365.10663,5.82,"Pos","beta-Gentiobiose",0.00223,"M+Na ","Main Standard Library",1.50976,0.000683047634164674,2.23267099232723,1.64118829535136,3.66423349997796,0.321927211974557,0.120778465241283,2.09334723088648,2.5809202888424,1.64118829535136,2.01966542925662,2.19646333241825,2.15521610883991,2.63753835914389,4.78240981164726,3.66423349997796,2.54788744375825,4.57694069832585,3.7569612918458,2.68969683282108,4.65820006230356]
["7.8_365.20319m/z",365.20319,7.8,"Pos","His Ala Arg",5,"M+H-H2O","Metlin",1.82906,0.00691398916790758,1.59463597433736,5.35738659417732,8.54308139150784,9.07121045542282,4.75351221801133,4.54729606434188,2.91221824690665,5.35738659417732,4.17412562819691,8.02230166134354,4.0210418850181,11.1146217073523,8.27522394272438,8.54308139150784,7.33732674909398,6.40634508675986,11.7953363000334,7.39051427203541,7.48220168255561]
["2.66_366.14176m/z",366.14176,2.66,"Pos","N1-(2,4-Dimethoxybenzyl)-N2-(2-(pyridin-2-yl) ethyl)oxalamide",2,"M+Na","HMDB",1.13437,0.0125301859475996,0.533297149010732,3.17099024491671,1.69108005715492,2.77663178320804,2.300316734274,2.43528754503509,3.5988968524719,3.17099024491671,4.74767888167278,2.01779305011344,4.32032686764172,1.32306305444519,1.00833427111684,1.69108005715492,1.61336303781443,0.928810980428119,4.25352736827318,1.67938975516683,1.03107193283989]
["1.29_367.14989m/z",367.14989,1.29,"Pos","Asp Asp Thr",11,"M+NH4","Metlin",2.33796,0.00153183309708539,0.742036479956301,18.4294229889794,13.675304162368,18.022356210281,22.210695871773,16.8954828706466,17.3101492194384,18.4294229889794,17.2078665906063,19.7762659798085,17.5831441803022,11.1163890043785,11.6021834702947,13.675304162368,18.0681243544792,13.9990281606915,10.7861115912479,18.0470542794851,12.1082382759994]
["9.79_367.17520m/z",367.1752,9.79,"Neg","Citroside a",1,"M-H20-H","HMDB",3.77407,0.000111626853926206,1.90165000908943,11.3104715515792,21.5085583288663,22.4562339525299,5.71980718200972,11.0007030853536,10.8614656099129,11.3104715515792,10.599580006672,7.55810816684295,10.9774028577336,19.471039904407,19.7694464249656,21.5085583288663,24.0876669708037,19.1956282971673,23.8451588488868,24.474862269687,19.7161055861471]
["1.29_368.15251m/z",368.15251,1.29,"Pos","Pro Asp His",11,"M+H","Metlin",1.13911,0.00448925039923694,0.757683831259153,5.02946505011814,3.81074434835752,5.23667913565646,5.4375871192009,4.66466228269377,4.45671551071743,5.02946505011814,4.68320352299605,5.90521630283954,4.82219147672283,2.93890577253151,3.20483310170664,3.81074434835752,5.2241462221151,3.69968736711408,3.19787523107689,5.16851271741749,3.24125002654091]
["2.66_368.15651m/z",368.15651,2.66,"Pos","Casuarine 6-alpha-D-glucoside",4,"M+H","HMDB",1.23727,0.000102282214366981,0.626130840862135,3.03475063515895,1.90015096699897,3.15897001359459,3.19933800711555,2.49674722092436,2.44753989776471,3.03475063515895,2.89834132872398,3.92775838866256,3.1145595893269,2.43865417624363,1.45584730478909,1.90015096699897,2.3502635251316,1.7741629143943,1.67953402994536,2.15091034767393,1.4516844708149]
["11.44_369.18569m/z",369.18569,11.44,"Pos","17-HYDROXYPROGESTERONE",9,"M+K","Metlin",1.2992,5.48286029903816e-06,1.86651257518287,1.36716927091062,2.55183863655827,2.01177811779021,1.4505212120866,1.18365717829658,1.36783502264403,1.36716927091062,1.03939056300156,1.48321644105205,1.03378636150331,3.03231694903419,2.62474779399795,2.55183863655827,2.77170898278908,2.06518081442669,2.03373503168462,2.84346084216985,2.49172004180551]
["4.27_373.14086m/z",373.14086,4.27,"Neg","Dictyoquinazol b",1,"M+FA-H","HMDB",1.10831,2.03169453379119e-06,1.73325054909472,1.10502893776248,1.91529201314237,1.52382942815738,1.0368561612787,0.999996652217163,1.29098014162121,1.10502893776248,0.982402791802495,0.902013809122484,0.999123580137925,2.00911013327293,1.75233224700984,1.91529201314237,2.06543114672246,1.6562789749433,2.22726086143436,2.06113039021124,1.63550033840246]
["8.49_373.27024m/z",373.27024,8.49,"Pos","Pregnan-20-one, 17-(acetyloxy)-3-hydroxy-6-methyl-, (3a,5b,6a)-",10,"M+H-H2O","Metlin",1.66785,0.00980943792408526,0.640396016040816,8.1921699335843,5.24623298819674,12.8104020722954,7.5477529524801,7.9557028196085,6.86324414603341,8.1921699335843,7.24813684219817,7.97607494178218,6.94387576069232,8.9034165889324,4.82694264451075,5.24623298819674,3.46242160789305,3.83926327648203,7.73571685420996,3.59149279712212,4.36437714822686]
["11.48_376.25898m/z",376.25898,11.48,"Pos","Lys Thr Lys",9,"M+H","Metlin",2.2628,0.000381965990250959,0.658770979143268,11.5767367093701,7.62641817731554,8.40023986977321,14.2991269148313,9.94642864301846,11.2795013698526,11.5767367093701,13.1789828765193,11.1774198922564,12.7554573993392,4.96640462301587,7.96141797896905,7.62641817731554,7.22599525749407,10.3346640712424,6.9432653253287,7.33478634270669,8.61839364245196]
["5.46_377.14141m/z",377.14141,5.46,"Pos","Asp Phe Asn",12,"M+H-H2O","Metlin",1.88073,3.24839241353081e-06,0.320750553763089,3.69275876452776,1.18445441863578,2.05343105818499,4.22478748570403,4.37978715701424,3.23260464919407,3.69275876452776,4.27671008921395,3.4064919750146,4.27549893736848,0.5743667582749,0.931497395923919,1.18445441863578,2.01928429763942,1.01715070950593,0.760804503856642,1.96797624764549,1.02010101760418]
["6.95_379.08812m/z",379.08812,6.95,"Pos","7-Methylguanosine 5'-phosphate",2,"M+H","HMDB",2.45815,0.0283033534219637,0.732657770959614,25.2882127653303,18.5276055961994,24.0293951810127,42.0723454729015,21.4796849953226,19.2958852469846,25.2882127653303,20.7856769792881,28.5509693211264,20.8035321606764,19.8551078334976,18.7350714170199,18.5276055961994,20.4495452990745,17.5341689354066,13.6278251990605,21.9688999599156,17.522620529421]
["0.81_380.11038m/z",380.11038,0.81,"Pos","Gravacridonetriol",0,"M+Na","HMDB",1.77585,5.05577839352403e-05,4.0931143492355,0.765804154778585,3.13452397462839,1.1677009212288,0.583041480310693,1.21488030111401,0.574484408664598,0.765804154778585,0.710424046508703,0.39300056116042,0.717097364462871,4.04114440510061,3.77702647669737,3.13452397462839,1.40105235998659,3.26346675549292,4.23836614246954,1.40341190478213,3.81719977786956]
["3.55_381.16358m/z",381.16358,3.55,"Pos","Prednisone",10,"M+Na","HMDB",1.64702,0.00023606171230882,1.81555429959936,2.79715227288124,5.07838183566366,3.02287526323821,2.57952801622667,1.55552611968366,3.05917488346352,2.79715227288124,1.88344478516205,5.54389856526969,1.93561827712489,5.67020120589233,5.40537722284444,5.07838183566366,5.23018474484355,4.19695774259917,4.87272717213671,5.20427817514099,4.96894658618845]
["9.7_381.26074m/z",381.26074,9.7,"Pos","13,14-dihydro pgf-1a",1,"M+Na","HMDB",1.3532,1.55118339658669e-09,2.10997511123111,1.05793226785958,2.23221075455201,1.19574858519798,0.940692827622618,1.03144544312189,1.11446358338006,1.05793226785958,0.975077524100573,1.11595636862009,1.03214154297388,1.85925379381732,2.13222180807987,2.23221075455201,2.55007060158916,2.14958604268823,2.15926153143587,2.54316970197763,2.23191180227598]
["18.54_381.29741m/z",381.29741,18.54,"Pos","MG(18:0/0:0/0:0)",0,"M+Na","HMDB",2.65465,0.000155959431533611,0.60874386587747,14.7556016755881,8.98238200734558,11.3111176443185,17.9078260428037,18.9655281084431,11.9670536064373,14.7556016755881,16.7174443750194,10.6748437655969,15.7453981864979,8.91742459454343,9.18364637739287,8.98238200734559,8.98061750183583,7.9637312979285,10.085593419662,8.64242916297266,9.10323169708385]
["4.19_382.11126m/z",382.11126,4.19,"Pos","Epinephrine glucuronide",1,"M+Na","HMDB",1.07317,0.00452198147723921,0.426084581603627,1.70541487209361,0.726650982236611,1.31944737141781,2.21931471500175,0.882110374159774,2.58237846442827,1.70541487209361,0.954693571290175,2.97163197657766,1.00832763177986,0.871483788058744,0.697235351592913,0.726650982236611,0.534420919019138,0.762098914444141,1.02580574209403,0.524168635590476,0.671343524856838]
["7.02_383.04054m/z",383.04054,7.02,"Neg","Shoyuflavone b",1,"M-H20-H","HMDB",1.00788,0.000988520012644613,2.39262114490396,0.664658139547663,1.59027511881427,0.758371596876719,0.498213946926498,0.278888339974694,1.60417291869892,0.664658139547663,0.333008931226332,0.857466483086412,0.322484760044066,1.05526410459676,2.08837512328414,1.59027511881427,1.31833200192666,2.09224686045709,1.10487524357375,1.336503306301,2.13632919156045]
["6.41_383.17029m/z",383.17029,6.41,"Neg","Methyl 7-epi-12-hydroxyjasmonate glucoside",1,"M-H20-H","HMDB",2.29609,5.44565672688075e-05,2.11431984922113,3.45342785726128,7.30165106646074,5.74396054577795,3.32753429509176,2.27548905198802,5.05452502877524,3.45342785726128,2.32162093848532,3.01540310302876,2.43546203768195,7.56001383007126,7.10587261739251,7.30165106646074,5.90618270464014,7.01959905610887,10.4216756990707,5.93039513602832,7.1678184219134]
["5.58_383.17202m/z",383.17202,5.58,"Neg","Oxoamide",1,"2M-H","HMDB",2.14708,8.01059421664883e-05,2.53261201669596,2.3310915919239,5.90375057772539,3.12664039164442,0.916636249208199,2.19737992075596,2.46878091024442,2.3310915919239,2.25010301595268,2.97006099977738,2.38803965588423,5.17324912979108,7.24146889662938,5.90375057772539,3.5133709978742,6.72446627161323,8.25987702634149,3.56045643021214,6.8533652916162]
["6.66_383.26117m/z",383.26117,6.66,"Pos","Apo-12'-violaxanthal",8,"M+H","HMDB",1.0773,1.89437353638773e-06,1.94468923979909,0.833488218269887,1.62087556956876,1.10682592843621,0.712176984681919,0.912224133429199,0.692288395615256,0.833488218269887,0.737596791315027,0.909575489344808,0.763729805066785,2.09922759481005,1.49005864811121,1.62087556956876,1.60366595079003,1.2975364520047,1.68210121068885,1.78859083254429,1.38494829803223]
["10.07_383.27444m/z",383.27444,10.07,"Pos","Misoprostol",12,"M+H","HMDB",1.63422,3.7892775853346e-05,1.94914990169489,2.01442493498735,3.92641616400233,2.45419345867968,1.33313882023589,2.12827880308647,1.77090454683866,2.01442493498735,1.83819200865009,2.59606884279703,1.98019806462363,4.2829815766107,3.40342783610344,3.92641616400233,4.87003901262155,2.736224188025,3.95083346901707,5.11402607282351,3.12738099281505]
["1.42_384.11491m/z",384.11491,1.42,"Pos","N6-Succinyl adenosine",-0.00179,"M+H ","Main Standard Library",2.48131,0.000524572427093342,0.5719045694603,11.3869744210926,6.51226270375039,11.4672979331017,14.0143066144578,9.00389762732051,11.3581198925399,11.3869744210926,9.29279491767794,15.2669732639143,9.30543069863574,3.91430463624402,5.76326142442925,6.51226270375039,9.66764286035905,6.14024595246173,4.59698985886372,9.47931878986327,6.02407540403172]
["7.54_384.25664m/z",384.25664,7.54,"Pos","(e,e,e)-sylvatine",9,"M+H","HMDB",1.57414,0.000203314728205121,3.21957477159379,0.829366230359899,2.67020659167857,1.51933132425685,0.584361288595968,0.765285873166683,0.84597097519873,0.829366230359899,0.622681845299785,0.8119440713043,0.655988234696982,2.69833909887765,2.15569944746087,2.67020659167857,2.25619499186084,2.12891856590736,5.08762935679982,2.17367893158943,2.19098574925404]
["6.62_385.18572m/z",385.18572,6.62,"Neg","Pisumionoside",1,"M-H20-H","HMDB",3.8353,9.5903717351842e-05,3.19320599841815,4.86178461090711,15.5246797825656,9.72291176020242,3.84391483227964,3.84430956098038,4.36270039145211,4.86178461090711,3.88780355948123,4.34965538691553,4.02119678503844,14.673301698706,13.566809163698,15.5246797825656,12.9389862125184,13.0278000420392,28.2584965136684,12.7730928769473,13.434271970382]
["8.8_385.20330m/z",385.2033,8.8,"Pos","Bortezomib",2,"M+H","HMDB",1.91095,4.12708559980459e-07,1.69947670169623,3.51177070967139,5.96817250278577,4.55246288520134,2.98136681385808,3.46160013024093,3.24074349815168,3.51177070967139,3.0153353193713,4.26995074349581,3.0609355773806,6.50566738466805,6.07548443626415,5.96817250278577,6.05384920446034,4.7673400323387,6.1380846093429,6.22310119472759,6.0136806576987]
["8.44_386.17217m/z",386.17217,8.44,"Neg","N1-(2-Methoxy-4-methylbenzyl)-N2-(2-(5-methylpyridin-2-yl)ethyl)oxalamide",0,"M+FA-H","HMDB",1.0739,1.42153694328758e-06,2.8363358894446,0.436614078805731,1.23838418155349,0.685514644037923,0.351032616498864,0.348459479128458,0.405689693595303,0.436614078805731,0.350304709641657,0.558006506292034,0.357290902445879,1.36045570419213,1.30668362830407,1.23838418155349,0.89158307046412,1.26788617199871,1.68075575197336,0.88900120103094,1.27232374291108]
["10.59_386.21418m/z",386.21418,10.59,"Pos","Arg Pro Asn",1,"M+H","Metlin",2.84923,4.60088857396769e-05,2.07741864327101,5.25194178384074,10.9104817751248,9.54789386071644,2.72223720399045,5.87120570011687,4.54087676886561,5.25194178384074,5.12782122463365,3.55278658928143,5.40077113928071,8.22669031069439,9.62811594722627,10.9104817751248,13.1598819553217,9.59467750861666,11.8062044649529,13.6970704575335,10.260731781528]
["10.56_387.23516m/z",387.23516,10.56,"Pos","10,11-dihydro-20-trihydroxy-leukotriene b4",7,"M+H","HMDB",1.77026,8.20387705193249e-05,2.0026923793124,2.29569289679799,4.59756666965895,3.95731556624558,1.63340845741546,2.3460951492109,1.3506872527457,2.29569289679799,2.09632955965743,2.51130246018994,2.17471183212093,6.32111926036332,4.17738543619251,4.59756666965895,4.15728230895765,3.63241266780479,5.60278832898945,4.23955712720617,4.05242155809874]
["9.61_387.25283m/z",387.25283,9.61,"Pos","12a-hydroxy-3-oxocholadienic acid",0,"M+H","HMDB",1.17659,0.0445801369562471,0.564551479027621,3.77736861770487,2.1325190399578,2.70596072262223,2.00010107588442,3.78229710105063,8.3087623895741,3.77736861770487,3.10938040282243,3.5605608870034,2.97451774497686,4.18753795209958,1.80033030245829,2.1325190399578,2.09384003783495,1.46630668192575,1.92002707194045,1.76217051079701,1.69742072264858]
["5.41_388.22806m/z",388.22806,5.41,"Pos","alpha-Hydroxytamoxifen",2,"M+H","HMDB",1.83836,0.0104986374483189,0.443131186335568,6.60839903805872,2.92838770551379,14.7365382203791,4.16340794404694,6.51361496176638,7.0580826473361,6.60839903805872,4.17108977631137,5.34260912104021,4.27345059553093,3.16783309339215,2.33987087269701,2.92838770551379,3.26180012936687,2.463302576715,3.71636297861551,3.19980698468223,2.34973730312776]
["5.9_389.21542m/z",389.21542,5.9,"Pos","Gln Lys Asn",3,"M+H","Metlin",4.35528,0.00114294317847798,4.79002222489138,4.46235506011472,21.374779913306,11.1633801881337,2.00907851354787,3.49974171931538,3.92105545363893,4.46235506011472,3.31296232894709,4.04132057069698,3.28894664652307,16.6694581427601,32.7159321999455,21.374779913306,5.33028937666473,31.7609706076473,25.916594878099,5.21606774289657,32.0141464451288]
["7.88_389.21810m/z",389.2181,7.88,"Neg","(3s,5r,6s,7e,9x)-7-megastigmene-3,6,9-triol 9-glucoside",0,"M-H","HMDB",5.84073,0.0014005567578529,3.63249695428888,10.3156353496349,37.4715139891034,11.6363096890133,10.0034461773777,11.1712094691038,7.77673238969985,10.3156353496349,10.8081238300475,9.33877796288887,11.4748479293131,23.9169540868853,20.9044263930923,37.4715139891034,65.9160646674106,21.8616676455425,41.023986733458,66.621234896679,22.0562635006561]
["0.96_390.08633m/z",390.08633,0.96,"Pos","3-methylbutyl glucosinolate",6,"M+H","HMDB",1.08305,5.09672888503688e-05,0.614113440885747,2.3228101889972,1.42646895768954,1.59152271585463,2.71147502836485,2.49836127416917,2.100515568949,2.3228101889972,2.58825634822575,2.18226632347833,2.58727406393863,1.07265752630112,1.16423333686157,1.42646895768954,1.75618871891909,1.39197260554254,1.48003302671611,1.77920704008319,1.34099044940315]
["4.25_390.17697m/z",390.17697,4.25,"Pos","Gly Trp Gln",1,"M+H","Metlin",1.13659,5.7260692368759e-05,1.57968229610366,1.73259950013927,2.73695675660806,2.38101853795407,1.46036207973075,1.49394835255685,1.59143047327409,1.73259950013927,1.37356616165315,2.39737306265739,1.43049783314862,2.27247663274309,2.82597418984293,2.73695675660806,2.58234375344592,3.04015930391789,3.0146073645339,2.48554042381519,2.93759562795752]
["10.58_391.17999m/z",391.17999,10.58,"Pos","(2s,4s,6s)-2-[2-(4-hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2h-pyran-4-ol",12,"M+H","HMDB",1.43786,0.0003016734414605,1.71240392033125,2.17062039913379,3.71697888102768,3.82133067096825,1.26829321252895,2.40630971048795,1.88316767288391,2.17062039913379,2.0027930017463,1.78634318024345,2.02610534507772,2.9524554965117,3.87978281873285,3.71697888102768,4.48493890906155,3.26683922158518,3.50858439422771,4.44021333784632,3.48603798922842]
["6.41_391.19418m/z",391.19418,6.41,"Neg","Betamethasone",4,"M-H","HMDB",1.45296,0.00134094734527925,0.609497339039062,4.97920170458219,3.03481018948161,5.84331643640093,4.58419261451993,4.4404593005754,6.62085501304734,4.97920170458219,4.38464652491572,4.27940500865525,4.70153703396077,4.35589794890982,1.7987233836593,3.03481018948161,4.03735660722895,1.79302358194239,3.45946786924358,4.00645145190706,1.79275048348017]
["7.46_391.21875m/z",391.21875,7.46,"Pos","Perindopril",4,"M+Na","HMDB",1.47782,0.00136263563991727,1.85015295772395,2.06443374120366,3.81951819231307,2.68306021756136,1.85207306891674,1.99962532782624,1.57848196262227,2.06443374120366,2.04681707517002,2.35520569074628,1.93577284558272,2.99372782732872,2.92694437677089,3.81951819231307,5.7166661072252,2.77665014319905,3.79432991337265,5.59577026989117,2.93253870840384]
["9.64_391.26706m/z",391.26706,9.64,"Neg","3-Hydroxy-10'-apo-b,y-carotenal",7,"M-H","HMDB",1.51422,0.0194110589853268,1.6268217413575,4.57761478299038,7.44696325252824,5.46994151439314,2.60459318087681,2.38551961299868,4.58553535564752,4.57761478299039,2.705071552033,11.4997851468049,2.79285711817863,6.87803864040103,7.45229041001356,7.44696325252824,7.9947881213655,7.05388522079244,6.73903296382898,8.28457040843203,7.72613700286415]
["20.39_391.28404m/z",391.28404,20.39,"Pos","Bis(2-ethylhexyl)-phthalate",0.00104,"M+H ","Main Standard Library",2.8455,0.0024266226787676,0.728590249519799,26.3345965957392,19.1871303046929,20.0459870887743,32.198004921429,24.5490207653638,25.8256788981895,26.3345965957392,30.3679824731069,20.9300724928751,30.4254295304358,13.8466939915524,20.470491588399,19.1871303046929,18.4159252686248,25.0159221432642,17.701235948242,18.1068990569312,20.7527441358364]
["1.16_392.17712m/z",392.17712,1.16,"Pos","N-Desmethyltoremifene",1,"M+H","HMDB",1.62608,2.77999401473925e-05,2.59767926080856,1.29962283591371,3.37600328772626,1.23310872822039,1.05874252497221,1.05941053592609,1.25153573629716,1.29962283591371,1.15769803431285,2.35559858139904,0.981265710268245,3.72966148481175,4.17960856881779,3.37600328772626,2.23789595415128,3.76358690123685,3.55058713429631,1.91688913899791,4.25379383177192]
["1.96_393.16842m/z",393.16842,1.96,"Pos","Sparfloxacin",0.00082,"M+H ","Main Standard Library",1.0032,0.0145593947153059,0.576563577629631,2.35419158276989,1.35734112138737,1.74011906101874,4.06278242132805,1.62863195196215,1.69458944837746,2.35419158276989,1.85536329413322,3.69001425145177,1.80784065111784,1.05505442025531,1.40587497218531,1.35734112138737,1.66936390666066,0.875543193685998,1.27576030405614,1.70820366864672,1.51158738422147]
["20.38_393.29315m/z",393.29315,20.38,"Pos","Diethylhexyl adipate",11,"M+Na","HMDB",1.06492,0.00187921535941328,0.710094962801574,3.41907065345532,2.42786484848131,2.55758926311752,4.23375333037549,3.18115106817818,3.34991205010392,3.41907065345532,3.89980685088256,2.66310805035411,4.04817396117549,1.73205198757847,2.51554045096078,2.42786484848131,2.30685125391398,3.1270607713734,2.26894448138815,2.33730891021104,2.70729608394336]
["5.98_394.21177m/z",394.21177,5.98,"Pos","Tamoxifen",6,"M+Na","HMDB",1.14082,0.000671809319943909,1.61973395500544,1.71380511708781,2.77590834040921,2.38806076174242,1.35697112409745,1.72561598080844,1.39287870240902,1.71380511708781,1.53206812322832,1.99164851646598,1.60939261086306,4.15982923058432,2.60446789630066,2.77590834040921,2.68138972319174,2.10479065252901,2.68789926060627,2.77406103045122,2.41892058920128]
["6.68_395.20493m/z",395.20493,6.68,"Pos","Tyr Gly Arg",3,"M+H","Metlin",1.86799,2.60552747408712e-06,2.07850345238297,2.22649240183602,4.62777214392062,3.73306929477072,1.6090202355664,2.18464713680128,1.76480973756959,2.22649240183602,2.03112022882891,2.31139376408219,1.95138641523303,4.54683455743473,5.19607536071487,4.62777214392062,3.85332853308622,4.35930758726116,5.66998146980961,3.91119397114692,4.85768352799082]
["8.37_395.21141m/z",395.21141,8.37,"Pos","Secoeremopetasitolide b",13,"M+H","HMDB",2.14339,2.92661530622574e-07,2.14388768108928,2.70982134248469,5.80955259410574,4.14076928698911,2.25466830574027,2.37501752702338,2.60379740969991,2.70982134248469,2.39135777159167,2.83094216413414,2.37219693221436,5.09015755106154,6.63123734288232,5.80955259410574,4.91623652318246,6.00131215682571,6.87074355169603,5.02398582376989,6.13319520932222]
["14.7_395.27660m/z",395.2766,14.7,"Pos","11-hydroxyeicosatetraenoate glyceryl ester",7,"M+H","HMDB",1.23538,0.0129629723131695,0.652806000643507,4.75809758155129,3.10611465288404,3.36552886301629,3.9044977389755,7.9344982660461,2.84664478526881,4.75809758155128,5.42258392983836,4.22082913846168,5.61210034925227,3.65191227032017,3.33881110172757,3.10611465288404,3.35733005505208,2.42623622795143,2.80619816214445,3.21315386933891,2.94916088365365]
["3.02_396.19018m/z",396.19018,3.02,"Pos","Met Phe Val",13,"M+H","Metlin",1.61714,0.000643705183998942,2.00262174326851,2.24335363551067,4.49258876831413,3.2534916223655,1.69773394545453,2.08227865049118,2.06866460085034,2.24335363551067,1.87862986968054,2.65121986804424,2.07145689168835,3.33367601264709,5.07745391919409,4.49258876831413,2.99183189612191,6.35865348190443,5.7422381124464,2.62588241185544,5.31838554402955]
["8.44_398.27229m/z",398.27229,8.44,"Pos","5-trans-17-phenyl trinor Prostaglandin F2&alpha; ethyl amide",7,"M+H-H2O","Metlin",2.65684,6.50217347997321e-06,1.83259304945676,5.92056970008844,10.8499948812063,9.56789327726204,5.01163526020266,5.13959783051459,4.94848462354117,5.92056970008844,4.63559494900442,7.37031617512512,4.77046578496908,12.1669480085316,10.206356005332,10.8499948812063,10.6814183085219,9.3615080313154,12.3937671237643,10.9434972819624,10.1964694090168]
["2.71_399.16418m/z",399.16418,2.71,"Neg","Valganciclovir",2,"M+FA-H","HMDB",2.60789,1.07886090052454e-05,3.84698152330614,1.71944202383589,6.61466169609279,2.57083532447688,1.08264793271703,1.90579483392896,1.63223013798093,1.71944202383589,1.76578987864949,1.20455857358954,1.87423748550842,9.1447651937018,7.12057237670674,6.61466169609279,3.73858701489235,6.71724213081565,8.91177725807954,3.70693898031299,6.96274891814046]
["8.39_399.26539m/z",399.26539,8.39,"Pos","10'-apo-beta-caroten-10'-al",1,"M+Na","HMDB",1.16113,0.00031803527017725,1.25709487511653,4.38417921137786,5.51132921821553,4.25683772331435,3.7363365924349,4.02401965954548,4.48986484725371,4.38417921137786,4.22573752733224,5.74358022016819,4.21287790959617,5.82285252873758,5.43934070255916,5.51132921821553,5.60341984630217,4.87294855241455,5.68587744928135,5.83597430058471,5.31889114762917]
["3.37_400.16734m/z",400.16734,3.37,"Neg","Moxifloxacin",1,"M-H","HMDB",1.6023,0.00019402024865554,4.43485329993821,0.572835043991085,2.54043938516411,1.10213039003177,0.377984549919976,0.493654486290861,0.493720477955651,0.572835043991085,0.456923218357161,0.598702407096371,0.486729778285811,2.98267927398043,2.54776784546904,2.54043938516411,1.30142225792348,2.38849977054619,4.8055868486102,1.35215128253096,2.40496841708848]
["13.79_401.12834m/z",401.12834,13.79,"Neg","E-3179",0,"M-H20-H","HMDB",3.5838,0.000650043279508772,0.492766670271539,20.968648894645,10.3326512959072,12.5325221953898,19.9524633744308,23.2706045062999,14.6004018689908,20.968648894645,33.4073740224045,16.7144818292512,26.302694465748,9.20174608351686,9.0720131578352,10.3326512959072,9.89990598802486,13.2527190668923,9.55801593831308,11.4204836218774,9.92367521489079]
["3.87_401.16414m/z",401.16414,3.87,"Neg","Clusin",9,"M-H","HMDB",4.62428,2.74102305683676e-08,2.81791453692888,7.71384060765547,21.7369435838646,9.97563502673829,5.91400355287002,6.63706151002777,7.93097543749637,7.71384060765547,6.59232340873982,9.90806801023829,7.03881730747771,25.1719456498799,20.2136412285788,21.7369435838646,19.5468851898576,19.3391838057152,28.2447449547057,19.6151323018324,20.0270719564828]
["5.55_403.19563m/z",403.19563,5.55,"Pos","Thr His Glu",5,"M+NH4","Metlin",2.3918,9.32819299377807e-09,2.91593320671869,1.93771680464979,5.65025277589515,3.12014476797741,1.47689246986205,1.7554158595392,1.67345685358984,1.93771680464979,1.79436057988824,2.13867373094788,1.60507337074392,5.94641232076691,5.99300499948501,5.65025277589515,5.01039135891862,5.17831966138148,7.03435485023695,4.80451586672553,5.58477037375152]
["8.45_403.23063m/z",403.23063,8.45,"Pos","CAY10510",11,"M+H-H2O","Metlin",2.32673,0.00030594563055717,1.5031111154717,8.46015320615007,12.7165503227578,12.8326434548076,7.57845492131413,7.64294290837712,7.62507249051504,8.46015320615008,6.647489353062,10.4084790253306,6.4859902896441,15.0179449086597,13.0656175635305,12.7165503227578,12.7194781979223,10.1433210862692,12.8672907300667,13.0961555102722,12.1060442625836]
["16.55_403.23295m/z",403.23295,16.55,"Pos","Arg Asp Leu",7,"M+H","Metlin",1.12986,3.78150180179594e-05,0.678792373592908,2.87489198072366,1.95145475141863,2.33827984625462,3.39581303540515,2.66002208907078,2.67948549908633,2.87489198072366,3.14030808149197,2.71329795397841,3.19703735977839,1.48189331808285,2.07278766526935,1.95145475141863,1.87516054579785,2.41139817885886,1.80445105701386,1.86344579626408,2.15104669864358]
["6.03_405.12089m/z",405.12089,6.03,"Pos","Farnesyl pyrophosphate",2,"M+Na","HMDB",1.3835,0.00743423016501558,4.24606186301712,0.611981646811645,2.59851193139334,0.809255671008268,0.524186644680211,0.557187693933564,0.634028722734199,0.611981646811645,0.413646490821909,0.767853724491035,0.577712580012331,0.340113289046576,3.14074876238712,2.59851193139334,0.818539055168181,4.52719509529667,3.47306686858214,0.799139411433722,5.09078103783896]
["4.05_405.21052m/z",405.21052,4.05,"Neg","Kiwiionoside",6,"M-H","HMDB",1.8979,1.28386149330135e-08,4.25606420057569,0.71470051599385,3.0418112802544,1.5371457874025,0.451374182010043,0.490449632776402,0.691461681380869,0.71470051599385,0.468933243579755,0.842665773701972,0.520873311105409,2.21990532963442,2.81551972583832,3.04181128025439,3.55813506990977,2.9818259473199,3.2311501595959,3.54970704916791,2.93643568031455]
["2.69_407.07049m/z",407.07049,2.69,"Neg","Cysteineglutathione disulfide",2,"M-H20-H","HMDB",1.76969,0.0175341208468964,0.684613403325414,9.58613185844734,6.5627943563378,8.47928475309111,11.6849505703307,7.82295002836739,6.90552992795109,9.58613185844733,7.79477190946656,16.1392362463972,8.27619957352731,5.69000588606168,6.1953109729435,6.5627943563378,8.06455010961937,6.05924886743356,5.60242975037957,8.11211071768966,6.21590419023728]
["2.84_407.18238m/z",407.18238,2.84,"Pos","(6beta,7alpha,12beta,13beta)-7-hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide",1,"M+Na","HMDB",1.37377,0.00136593477978662,0.366137691282389,2.50251138008411,0.916263739111901,3.18340923064853,3.43594140442217,1.31362914559522,2.63276938605755,2.50251138008411,2.14972184550064,2.46662449207422,2.33548415629044,0.112957311253087,0.144025540759288,0.916263739111901,1.58925718928403,2.63769830230378,0.296698811935118,1.49119419471135,0.142014823536662]
["7.44_408.25533m/z",408.25533,7.44,"Pos","13,14-dihydro-16,16-difluoro Prostaglandin D2",1,"M+NH4","Metlin",3.13308,0.00216494766766324,2.4928171741216,5.36022605921268,13.3620635775795,5.44247434418508,5.03935490117946,5.72459641718618,6.93061329953455,5.36022605921268,4.77026114138376,4.37278380230951,5.24149850871022,7.63556189227323,8.09620697833071,13.3620635775795,22.4386953685643,9.63108668273242,15.3445254362111,21.6684074177035,8.71996126724124]
["9.23_409.11886m/z",409.11886,9.23,"Neg","Hydroxy torsemide",0,"M+FA-H","HMDB",1.49894,6.65502628186884e-06,1.62892399779291,2.41772228682519,3.93828585300832,2.67174290266836,1.78122559478929,2.5678728970372,2.90872911170597,2.41772228682519,2.44841086075776,1.98515009138604,2.56092454943176,4.40571189984224,3.39147048010112,3.93828585300832,4.45301471952059,3.3116976147994,4.11532330552538,4.45743832646134,3.43334462480815]
["10.81_409.18392m/z",409.18392,10.81,"Neg","Tafluprost free acid",2,"M-H","HMDB",3.16828,4.48804203110184e-05,2.2998820420894,5.60837074890565,12.8985911707876,12.1298066686079,3.74223084643236,5.53657370076828,4.24175453534617,5.60837074890565,5.09670783369446,3.07554011739697,5.43598154009345,14.0970349546965,14.3352915427553,12.8985911707876,9.45786003763714,13.4963305593242,15.2665201822467,9.60440655767476,14.0326943611785]
["6.08_410.16757m/z",410.16757,6.08,"Neg","Trimethaphan",1,"M+FA-H","HMDB",1.05947,1.65316022713309e-05,2.44978969498636,0.569245515482224,1.39453179774555,0.930780408372973,0.440270093684708,0.433474892380515,0.535723233370998,0.569245515482224,0.466725624853598,0.702644796009438,0.475099559703338,1.38265157211712,1.59026006451823,1.39453179774555,0.929107049930654,1.51314667463688,1.85603411888911,0.928802760793559,1.56172034333331]
["10.82_410.18862m/z",410.18862,10.82,"Neg","Carphenazine",5,"M-H","HMDB",1.53555,5.17900442103462e-05,2.21638019535339,1.41509646573357,3.13639178116646,2.97728827600802,0.973721287228141,1.39734111388118,1.05630082514839,1.41509646573357,1.2682312474406,0.873612427488706,1.35918008293994,3.39306932196809,3.49976366783507,3.13639178116646,2.30655653199239,3.27804464500436,3.73629457765967,2.34202729226645,3.39898643143922]
["8.64_411.19887m/z",411.19887,8.64,"Neg","Adapalene",6,"M-H","HMDB",4.27367,3.3543044151882e-06,2.88713514560654,6.64665340695735,19.189786651892,12.4790984135996,4.81038454395724,5.85536217599025,6.26399932146972,6.64665340695735,5.81131287970593,5.34803382975435,5.95838268422438,17.0151704410363,20.357712679207,19.189786651892,14.9028200294184,19.6414111254702,27.745596416486,14.5839391272718,20.0818567443545]
["7.62_411.20539m/z",411.20539,7.62,"Pos","Met Ile Met",10,"M+NH4","Metlin",2.37435,1.73333587123548e-05,2.61355391172385,2.59433213882065,6.78042690972562,4.99803199903801,3.32902836859578,0.795401090679702,3.50872985932759,2.59433213882065,0.632761423933158,4.30349200818128,0.592880221989068,5.79552621407086,7.89620870930789,6.78042690972562,6.48289436521017,6.90835209278364,7.12866973807154,6.11836071996342,7.13297652867177]
["3.26_412.03782m/z",412.03782,3.26,"Pos","Progoitrin",9,"M+Na","HMDB",1.38515,0.00203817146190852,0.492669770468313,3.44536175071609,1.6974255829056,2.36372252462313,2.02502811569012,4.30350758771501,3.60195083006204,3.44536175071609,5.12320722649603,1.81163171497919,4.88848425544708,1.3059016899768,1.85749040784162,1.6974255829056,1.84915327611576,1.91936186769549,1.27362317800128,1.80108406570044,1.87536459500781]
["5.86_412.14374m/z",412.14374,5.86,"Pos","Gemifloxacin",11,"M+Na","HMDB",1.38483,0.000864982911820207,1.30498629786208,5.06366614110758,6.60801493109354,5.52485498905851,5.05294800630873,4.28845876797039,6.06601052648196,5.06366614110758,4.60905234332867,5.23606506388964,4.66827329071515,5.28168553439013,6.68357223499399,6.60801493109354,6.7461738206608,6.2143514056522,8.42950544722612,6.44248150501667,6.45833456971486]
["9.39_413.21407m/z",413.21407,9.39,"Neg","Miglitol",0,"2M-H","HMDB",5.5208,1.87212631007444e-05,3.37733399732488,9.00866115657968,30.4252575944966,23.0957066147121,5.89238041707114,6.13469053028541,7.94253943774322,9.00866115657968,6.07525387483635,7.5162670779828,6.40379014342669,28.0641819688288,29.6094989657463,30.4252575944966,23.9816144923768,28.9476822621511,48.3354204632679,24.4928032629047,29.5456017462007]
["10.32_413.21488m/z",413.21488,10.32,"Neg","Buclizine",0,"M-H20-H","HMDB",4.25859,1.54181901783021e-07,2.57878185486805,7.60967527466921,19.623692519755,15.2824075722849,5.14801133600286,6.52078997316361,6.18730005086109,7.60967527466921,6.37116236279346,7.15963049206707,6.5984251355115,21.3108666682401,20.0721608609298,19.623692519755,17.4689209933066,19.0490860802946,21.9203832567179,17.7648300656412,19.7795997131548]
["7.53_413.21535m/z",413.21535,7.53,"Pos","His Glu Lys",2,"M+H-H2O","Metlin",3.47767,3.2472761178337e-10,2.69561977876467,4.4769583347765,12.0681774359289,6.43240020811562,3.94148727763182,4.85604440107789,3.56241188963499,4.4769583347765,4.49438171483977,3.89587238052161,4.15611047161383,11.5843849790159,12.284891788158,12.0681774359289,11.7917764750529,10.8974032721222,14.4884697443913,11.8487978161075,11.5815179766545]
["20.4_413.26591m/z",413.26591,20.4,"Pos","Diisooctyl phthalate",0.00011,"M+Na ","Main Standard Library",5.48693,0.000311942295246234,0.657188576319489,70.1220267021368,46.0833948970145,51.6639142557242,86.8614380510162,66.5337808367604,70.4627285029611,70.1220267021368,81.7852386295692,53.9621268194229,79.5849598195035,34.5254741052241,47.683514525433,46.0833948970145,43.1704205082626,57.646057691021,42.9133351335854,45.4287497763743,51.216212539201]
["11.22_414.24752m/z",414.24752,11.22,"Pos","Val Lys Trp",7,"M+H-H2O","Metlin",2.57912,1.85367314369329e-07,2.85640124012174,2.40002837871593,6.85544403729157,4.73769068338098,1.57172813977561,2.18033056413392,1.71954267528164,2.40002837871593,2.05284571091716,2.29864762932195,2.23941324820026,5.98703304996751,7.75662753618739,6.85544403729157,5.88772268135725,6.84181269103583,7.3912255915668,5.89302740516816,8.23065930575808]
["12.36_415.21112m/z",415.21112,12.36,"Pos","Met His Lys",0,"M+NH4","Metlin",2.81269,1.82390358516856e-06,0.62182840508517,15.1762546607625,9.43702623086829,16.3571959714677,15.0968116565384,18.0914074084058,11.4207035725508,15.1762546607625,15.5197170287779,13.7626430097136,15.985303977883,8.98125127332844,9.43935542795123,9.43702623086829,9.85537997838394,7.99166380041329,9.5152985314092,10.2915736842356,9.98466092035633]
["9.95_415.22917m/z",415.22917,9.95,"Neg","CPA(18:2(9Z,12Z)/0:0)",9,"M-H","HMDB",2.47088,1.02970017107692e-07,2.86483218294919,2.17884881952839,6.24203621996578,4.45211593501893,1.5092006374739,1.72527349756946,1.96182177854441,2.17884881952839,1.62677301774422,2.24980717393133,1.72694969641649,6.5221871353168,6.61498297498757,6.24203621996578,5.24022930961233,6.31156371798013,7.1987704815919,5.33843758073219,6.46808233953958]
["20.4_415.27197m/z",415.27197,20.4,"Pos","Ascorbyl palmitate",7,"M+H","HMDB",1.13374,0.000349560424506461,0.655183921628433,2.98658201032144,1.95676051378733,2.14911708348013,3.70333539924799,2.81260960736722,3.00314417023709,2.98658201032144,3.45648119574407,2.31534332980386,3.46604328636973,1.47262362370591,2.02525020042545,1.95676051378733,1.84004465473905,2.44687114973647,1.81080139736724,1.94029081370431,2.16144175683288]
["5.63_417.17351m/z",417.17351,5.63,"Pos","cis-3-Hexenyl b-primeveroside",1,"M+Na","HMDB",1.03688,0.0455658806544434,0.601725678612825,3.61927184160096,2.17780880497163,3.9970860394261,3.09575109720597,3.34253432157588,3.84844457700817,3.61927184160096,3.38294267533972,4.63209866025571,3.03604552039516,0.616729372438314,0.958667137395736,2.17780880497163,4.79306052060482,0.805655452987917,2.11081715640373,5.01169252808574,0.948039466885134]
["7.77_417.20683m/z",417.20683,7.77,"Neg","(E)-2-Tridecene-4,6,8-triyn-1-ol",1,"2M+FA-H","HMDB",1.86715,0.00418375219664796,1.70636312312362,4.60597536215488,7.85946650399703,8.78877169342544,2.65705948022126,2.40548409905471,7.59634364845399,4.60597536215488,2.39591683594832,5.88147948211412,2.5167722958663,6.1170611794008,8.04121817402634,7.85946650399703,7.67675209536141,7.96216494574399,9.12144830363342,7.8389323618292,8.25868846798403]
["7.09_417.20815m/z",417.20815,7.09,"Neg","Flurandrenolide",1,"M-H20-H","HMDB",2.5319,2.38710154409652e-06,2.91529243447177,2.28488018156844,6.66109390700094,4.22824967256261,1.55272280030749,1.76307080560555,2.32141319754298,2.28488018156844,1.74478488279534,2.51357910209343,1.87034081007166,3.95081281378788,6.92329796529077,6.66109390700094,6.37072507542846,6.82006197323052,9.05664652011796,6.56763088464074,6.93848211651026]
["5.72_419.13671m/z",419.13671,5.72,"Pos","Aloin A",7,"M+H","Metlin",1.72356,0.0247481657788485,1.29648383418042,10.4368463803879,13.5312026119973,13.9628355971853,6.88609536540452,12.5832964962564,11.0110400370078,10.4368463803879,11.3856945091976,5.57779265887898,11.6511699987847,11.0013268978473,15.2555744524366,13.5312026119973,14.7966999203691,14.6007155637964,9.76336863385151,14.6805521840316,14.620180631649]
["11.21_419.20357m/z",419.20357,11.21,"Pos","Isopetasoside",1,"M+Na","HMDB",2.64382,1.7289750953439e-06,2.44027064631172,3.34666934235727,8.16677895906582,6.55610674161348,2.45430828512569,3.52086119497244,2.62727163027712,3.34666934235727,2.75453812229907,2.75027989692412,2.76331952528901,8.56188923589557,10.1488792572345,8.16677895906582,6.98106844795805,7.93639792530495,7.86108577102977,6.69461085945745,8.98352121658041]
["21.24_419.31517m/z",419.31517,21.24,"Pos","11'-carboxy-alpha-chromanol",1,"M+H","HMDB",2.15483,0.00151196892987446,0.716975431018654,14.09457922511,10.1054670149498,10.7606372222558,17.0435042080435,13.3178312493936,13.8311709930927,14.09457922511,16.3849814522532,11.1265723743273,16.1973570764036,7.32830073420495,10.7364413073403,10.1054670149498,9.85263778399698,13.1566698009575,9.20030735162146,9.77340111296193,10.6905110135653]
["17.3_423.31972m/z",423.31972,17.3,"Pos","N-Arachidonoyl-3-hydroxy-&gamma;-Aminobutyric Acid",5,"M+NH4","Metlin",1.23761,0.0377470723810906,5.81323080893073,0.374543716530418,2.17730907222604,0.642638233732377,0.199629048608872,0.455639026611193,0.318988337581844,0.374543716530418,0.396904767039236,0.235551019494966,0.372455582644436,7.42836350092021,1.08425126328777,2.17730907222604,1.35574297365524,0.688843316913745,2.55356792979051,1.35292651006628,0.777468010948546]
["3.94_425.10597m/z",425.10597,3.94,"Pos","3-glucosyl-2,3',4,4',6-pentahydroxybenzophenone",4,"M+H","HMDB",1.63106,0.000145946724037657,0.319013226169068,3.120824159878,0.995584183549051,1.62550227552247,4.41007913620607,3.6926640392769,1.93048048157931,3.120824159878,4.23933355973264,2.07098829182033,3.87672133500827,0.483312069267377,0.77736488384359,0.995584183549051,1.48653991609188,1.05156430005478,0.731577217608445,1.55440266135476,0.884328236622529]
["8_427.18398m/z",427.18398,8,"Neg","Pyridinoline",1,"M-H","HMDB",3.20567,2.29835146970762e-06,2.12118871234716,6.26976965036324,13.2993646113673,6.44509845455753,3.83618478898293,7.88990401496404,5.81947906789395,6.26976965036324,7.64921093962339,4.28562455690005,7.96288572962077,12.5788847614315,14.1473610672199,13.2993646113673,10.6716016931652,13.8222384126153,17.0379204445981,10.7067777858017,14.1307681147396]
["11.39_428.22848m/z",428.22848,11.39,"Pos","Gln Trp Leu",3,"M+H-H2O","Metlin",2.07569,2.72494247187527e-05,2.23927344439299,2.46515913070747,5.52016537759615,4.67208543819764,1.55542244096733,2.80527161650321,1.82264973619585,2.46515913070747,2.44170409264573,1.51945358552087,2.43952700492163,5.81397687494441,5.57065669215926,5.52016537759615,4.05863856044745,5.34652316012557,7.21816292680329,4.39865118328594,6.23454824540714]
["20.41_429.23989m/z",429.23989,20.41,"Pos","Nandrolone phenpropionate",0,"M+Na","HMDB",1.65492,0.00347877263718793,0.694576551167852,8.0782616214126,5.61097109643238,5.37436817618692,8.88590723035318,6.93868051889125,7.4935165204356,8.0782616214126,10.6031388644206,6.67093588456224,10.5812841550384,4.52505951877129,6.10725755273059,5.61097109643238,5.09628345939064,6.63227149592026,5.10277294982666,5.51334916440546,6.29980353398177]
["7.34_430.27598m/z",430.27598,7.34,"Pos","Mifepristone",4,"M+H","HMDB",1.45736,0.00396781518233448,1.64166653598906,2.96560133363177,4.86852846850779,4.9452275211395,1.8495854534869,3.36748899928014,2.52980630394946,2.96560133363177,2.94904850278468,2.07811818545866,3.03993436932303,5.4423040949605,5.60641233053482,4.86852846850779,2.99711976052954,5.05137115517618,6.55019223280455,3.05011313797811,5.38218656757082]
["4_431.09776m/z",431.09776,4,"Pos","4-methoxybenzenepropanol 1-(2-sulfoglucoside)",1,"M+Na","HMDB",8.37929,1.83925705231074e-05,5.11531282612738,11.730861418342,60.0070258747678,32.9218307316513,6.59881139235376,9.58375748112513,7.77806365491691,11.730861418342,10.7697560345926,3.98530496939842,10.4785056643561,38.9502826579717,47.2139496548305,60.0070258747678,59.3386204237809,56.0012223230966,104.645928452309,62.3120127008179,51.587164910568]
["12.35_432.23877m/z",432.23877,12.35,"Pos","Ala Arg Trp",8,"M+H","Metlin",1.1013,1.00200277236551e-05,0.659567885553799,2.67637835526241,1.76525321272238,2.89346541685099,2.82572370427761,3.08425990709651,1.92479767381733,2.67637835526241,2.75016682952665,2.48832232865977,2.76791262660802,1.77695683064989,1.64210779753454,1.76525321272238,1.8064966114453,1.46274253491073,1.75569413976889,1.9914799546837,1.92129462006364]
["9.94_432.27057m/z",432.27057,9.94,"Pos","alpha-Hydroxysalmeterol",9,"M+H","HMDB",2.48712,8.37149741504893e-08,2.09498174435461,3.85847665358418,8.08343815027733,4.95460116199105,2.6460793861306,4.07758050363222,2.79239129989269,3.85847665358418,3.61155846425679,5.12437390083057,3.80275185835536,8.9953675973262,8.37191068611973,8.08343815027733,6.92547897406603,7.9433798245127,7.95140700833625,7.20344069381592,9.19308226776448]
["4.3_433.11462m/z",433.11462,4.3,"Pos","Vitexin",0.00222,"M+H ","Main Standard Library",2.29598,7.79880923880353e-06,2.52904037253857,2.45976291746056,6.22083972513102,4.94426354289924,2.06438577828263,1.57546733374931,2.9367171394514,2.45976291746056,1.9807100203643,1.78453121274922,1.93226539472781,4.10210408812443,6.84404945675229,6.22083972513102,5.66094938166048,7.86168106881587,6.03738208848758,6.05530291700303,6.98440907507346]
["9.92_433.26928m/z",433.26928,9.92,"Pos","5,8-epoxy-5,8-dihydro-10'-apo-b,y-carotene-3,10'-diol",5,"M+Na","HMDB",1.36083,3.54211298107943e-07,1.8952752163213,1.45553550121666,2.75864036193174,1.71474792831813,1.10319510608723,1.53107229000278,1.2508223771861,1.45553550121666,1.33171921601401,1.95497694627899,1.3022146446294,3.13104722316167,3.14664543369042,2.75864036193174,2.54997211739242,2.67013185678,2.43941242121595,2.3684062705855,3.00486721069621]
["9.02_433.27147m/z",433.27147,9.02,"Pos","5,6-epoxy-5,6-dihydro-10'-apo-b,y-carotene-3,10'-diol",0,"M+Na","HMDB",1.70769,1.71532628513358e-05,2.13514515772721,1.75377482093843,3.74456381667058,2.78763319585332,1.30149916111627,2.17389123846529,1.32566054825821,1.75377482093843,1.77594024415978,1.28293094869457,1.62886841002154,3.72240184759621,3.1965819313781,3.74456381667058,3.51601317509385,3.22253826946108,5.44341848847887,3.58099474773911,3.52999825694684]
["1.52_435.13747m/z",435.13747,1.52,"Neg","E-3174",8,"M-H","HMDB",1.94227,0.000289925052045157,2.78035979860098,1.75474735665075,4.87882900713308,2.89769308405417,1.44842650443778,0.814386653303531,2.13637696413669,1.75474735665075,0.813319022785709,3.29461972324037,0.878409544597007,4.14028830556908,5.45330290730046,4.87882900713308,2.66341103781102,5.77864031315979,7.13397464144249,2.84448841780189,6.13769742684684]
["9.98_435.19996m/z",435.19996,9.98,"Pos","Abscisic alcohol 11-glucoside",2,"M+Na","HMDB",2.60459,0.000181119259374763,3.73270137797725,1.9594555508624,7.31406243478925,3.19754073861033,1.55400302616292,1.97082813505301,1.6905278963978,1.9594555508624,1.57024160982017,2.09143798597038,1.64160946402219,4.39248437094261,10.8529322630186,7.31406243478925,3.91488378568495,7.96813319899946,10.2141066056831,3.80890340201125,10.0469934171848]
["8.32_435.20729m/z",435.20729,8.32,"Pos","1,1'-Ethylidenebistryptophan",11,"M+H","HMDB",1.89911,4.31230980874544e-06,1.93464997063987,2.71217324022481,5.24710587957116,4.26861193258628,2.19515435819843,2.66411086265946,2.2588149048938,2.71217324022481,2.44361966475884,2.81541361039558,2.33948734808127,4.29979721158167,5.92436408434589,5.24710587957116,4.37049459970541,5.57318702818925,6.0163260355153,4.59152035542271,5.95405184223785]
["9.96_437.21464m/z",437.21464,9.96,"Pos","5-Methyl-dl-tryptophan",-0.00166,"2M+H ","Main Standard Library",2.2103,7.07114670561128e-06,2.07774152020691,3.21393223388624,6.67772044547678,5.6548679835081,3.23192519644027,2.87264814958854,1.87886373269196,3.21393223388624,2.31581076302381,4.30776384447209,2.2356459674789,7.39107411978035,7.59025145968332,6.67772044547678,6.54792023137518,5.53307890883614,6.90792318128691,5.99061760458312,6.78317761279244]
["4.59_439.03791m/z",439.03791,4.59,"Neg","Phosphoguanidinoacetate",1,"2M+FA-H","HMDB",1.15871,0.00047987128732448,28.5856508888427,0.0403650617472506,1.15386156321349,0.0786442019167583,0.0274937838027245,0.0317718721980748,0.0374540128130739,0.0403650617472506,0.0309283762156307,0.0434075311377651,0.0328556541467272,1.12339760116386,1.44273889954877,1.15386156321349,0.14601034616615,1.50095715843736,2.13131852306718,0.140263534130895,1.5923448799802]
["15.7_439.31977m/z",439.31977,15.7,"Pos","24,25-hydroxyvitamin D3",4,"M+Na","Metlin",1.05142,0.0459167066707918,5.07751334016908,0.335587480737883,1.70394991024034,0.848892817488334,0.188413571794439,0.325709847809663,0.174152037981051,0.335587480737883,0.253584300802598,0.3126819219204,0.245677867368694,5.96313684146459,0.955962463394738,1.70394991024034,1.18381096579567,0.646767536516644,1.3330740635536,1.12264463064439,0.72225287031271]
["5.45_441.17219m/z",441.17219,5.45,"Neg","Avenic acid b",1,"2M-H","HMDB",1.66321,1.11136318145155e-06,1.81045990707624,2.38792017864608,4.32323374473706,2.54054627243652,2.46765615096743,2.17266939108433,2.02059073747894,2.38792017864608,2.1079449138468,3.11620010019232,2.28983368451624,3.98164054487485,4.68364587277316,4.32323374473705,3.65968285849165,4.38123568102805,5.3997560951657,3.65190801781879,4.50476714300718]
["6.47_443.09846m/z",443.09846,6.47,"Neg","Formononetin 7-o-glucuronide",0,"M-H","HMDB",1.2752,0.00368369129312933,3.48484419539254,0.543570718720067,1.89425926391698,1.22507079297389,0.354143881582283,0.435753944767181,0.475709267757259,0.543570718720067,0.419005289386088,0.414952772630886,0.480359081942883,1.39911819555799,1.20247182635308,1.89425926391698,1.97486464836812,1.14805558189809,4.36257696849714,1.9848670106635,1.18786061608094]
["7.21_444.22239m/z",444.22239,7.21,"Pos","Trp Glu Lys",5,"M+H-H2O","Metlin",2.57003,5.04298618914134e-07,2.97780103542373,2.2703044513672,6.76051494600836,4.13221197317878,1.65013924731176,2.01365116098673,1.78349353822532,2.2703044513672,1.65064428189795,2.64940388790926,2.01258707006062,5.07770109418694,7.18322381836386,6.76051494600836,5.75289200222891,7.80264495828928,8.71832476667177,5.71163240962778,7.07718557269001]
["4.61_445.07714m/z",445.07714,4.61,"Neg","2'-Hydroxyisoorientin",0,"M-H20-H","HMDB",6.13187,3.57969088653524e-05,4.57170632744154,7.25704075317274,33.1770591297809,22.2365893413781,3.20789624710994,6.07419413540488,5.15874442535417,7.25704075317274,5.54884456068906,2.73739738351003,5.83561917876295,26.349368813447,25.6077849346206,33.1770591297809,37.1697593556297,24.7747274483336,56.1275178993982,36.8883035808928,25.3219518761445]
["7.12_445.16396m/z",445.16396,7.12,"Neg","3b-hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide",1,"M+FA-H","HMDB",3.05251,8.5100804106846e-07,1.74619934197113,8.31989727158297,14.5281991409056,10.6596563786192,7.8639316996368,8.00057083515631,11.1790676832979,8.31989727158297,7.54896892554739,4.96091176361422,8.02617361520899,14.8897819798039,15.0974216761819,14.5281991409056,13.2971176758651,14.5255531316181,15.6627173397826,13.2266471796514,14.998155003436]
["9.49_445.24024m/z",445.24024,9.49,"Neg","Sr 49498",10,"M-H","HMDB",1.93836,4.45357292430307e-08,2.49486237879301,1.66407630630494,4.15164137204102,2.51807071575842,1.22226910026613,1.31499280880911,2.16686236201585,1.66407630630494,1.34761752642611,1.66470719982687,1.41401443103205,4.63249227430554,3.99447320305207,4.15164137204102,4.56938817071953,3.82433762918684,3.28568794562698,4.71348965459544,4.04162072680076]
["4.9_447.09428m/z",447.09428,4.9,"Pos","Baicalin",5,"M+H","Metlin",7.57506,1.46060136867803e-05,4.45044528511801,11.2865046317709,50.2299713239273,32.9981291797679,5.52962802599503,8.93432507477117,7.76527858543585,11.2865046317709,9.72560569282021,4.24649211324928,9.80607375035677,32.3794623273377,41.7565331426979,50.2299713239273,53.9485986671555,40.9805848483764,79.3992000149056,58.8080363706177,44.3373838964005]
["7.47_447.16583m/z",447.16583,7.47,"Pos","Osmanthuside a",2,"M+H","HMDB",2.52704,9.34123517434979e-06,2.73061807580723,2.55543802157138,6.97792525330787,6.24634533972205,2.34396361320446,1.2529884399991,2.07148399157509,2.55543802157138,2.01917720018972,2.83164775664024,1.12245980966901,5.81531104383718,6.72638503273137,6.97792525330787,7.15608095287244,6.31121755875155,8.93839988913128,7.33475047780577,6.56333181802551]
["5.81_447.21997m/z",447.21997,5.81,"Neg","L-linalool 3-[xylosyl-(1->6)-glucoside]",8,"M-H","HMDB",2.21797,1.044866246103e-07,3.15748686208483,1.49296160733119,4.71400666074529,2.60949787197682,0.659735039126206,1.30053927333298,1.83597433353716,1.49296160733119,1.25243022939765,1.49114042252422,1.30141408142329,5.66482171279906,4.09116374922241,4.71400666074529,4.73315688812488,4.05180394845738,5.95942951135828,4.32422230314643,4.17344851210857]
["7.44_448.26171m/z",448.26171,7.44,"Pos","Arg Gln Gln",2,"M+NH4","Metlin",3.53174,1.66372925439848e-07,3.4769912942463,3.32399513264675,11.5575021383298,5.52659814698546,3.49254477766459,3.48437137624843,2.12549064544321,3.32399513264675,3.15899675781964,2.39728276440705,3.08268145995889,12.6987785646724,12.0249586809663,11.5575021383298,8.89807297384795,10.9840905732368,15.779346964346,8.79481629655166,11.7224509146877]
["4.97_449.10288m/z",449.10288,4.97,"Pos","Naringenin-4'-O-&beta;-D-Glucuronide",11,"M+H","Metlin",2.03012,4.39376709947074e-05,3.11570722707861,1.35900408324734,4.23425884380308,2.69076254176598,0.824346962384753,1.15162463620634,1.44571710075291,1.35900408324734,1.3102165208131,0.787565168398023,1.30279565241026,2.74449534025329,3.45571502688868,4.23425884380308,4.20409521581229,3.55818164499724,7.01407468104714,4.61835572863409,4.04489426898881]
["4.43_449.15741m/z",449.15741,4.43,"Pos","Tafluprost (free acid)",9,"M+K","Metlin",2.05787,3.40237824888895e-06,1.63654609524192,4.60169649777675,7.53088843492496,5.88552037994249,4.45613505731471,3.36163891623822,4.98066082972516,4.60169649777675,4.20218801910845,5.2567749276449,4.06895735446334,6.33884302674935,6.98125500749714,7.53088843492496,8.45470431482429,7.36611222041838,7.9320635848648,8.72725331542701,6.91598757469375]
["8.21_451.15223m/z",451.15223,8.21,"Neg","Melleolide m",1,"M-H","HMDB",2.49373,0.00127922473915741,0.32156217683499,8.18901115262433,2.63327625236389,2.4554028174618,9.06205969856934,11.8809004510141,6.27384928156786,8.18901115262433,11.8846539309125,3.39605692638268,12.370154962462,2.16561839354085,2.44452982070186,2.63327625236389,3.36221542331489,2.62755486845524,1.74367055660127,3.42664211080918,2.66270259312394]
["8.42_451.19435m/z",451.19435,8.42,"Pos","Taraxacolide 1-o-b-d-glucopyranoside",1,"M+Na","HMDB",1.92342,6.95622175069141e-06,1.96265891965372,2.65000015513431,5.20104644155808,3.42628290551895,2.36525931822987,2.24471841064847,2.47971061874062,2.65000015513431,2.47909649445448,3.17232670192324,2.38260663642452,4.04157353409527,5.42283370687722,5.20104644155808,5.91472079839231,4.05808913759358,6.88488789333074,4.69752482622696,5.38769519439047]
["7.5_451.27107m/z",451.27107,7.5,"Pos","Trp Thr Lys",11,"M+NH4","Metlin",1.83864,1.62738021364672e-08,2.48346659940069,1.44691705994253,3.59337019047032,1.87883161946366,1.59234916019384,1.39571615713287,1.26435322872926,1.44691705994253,1.39613537459489,1.29189177537081,1.30914210411237,3.07588113849956,3.40939100929753,3.59337019047032,3.8949528378729,3.17928032113274,4.60636714938103,3.65897899979098,3.32873987731747]
["2.77_454.18653m/z",454.18653,2.77,"Pos","Fusarin c",6,"M+Na","HMDB",1.04794,0.0010823606275512,1.55991794062762,1.64939127809114,2.57291504580909,1.63938468827678,1.76713241952791,1.21696458573375,1.94137413856703,1.64939127809114,1.41336026641832,1.9146484600066,1.6528743881076,2.80056994171003,2.33587837832772,2.57291504580909,2.16074019892224,2.4360660111701,3.88933508080681,1.95698178070861,2.43083392901815]
["8.82_455.31317m/z",455.31317,8.82,"Pos","Coenzyme Q4",5,"M+H","Metlin",2.43428,0.00455159301419668,0.658288656169314,15.7024744566214,10.3367608085823,13.8620072742982,24.1090644465573,16.0317077500895,9.87102976610706,15.7024744566214,14.1648191386662,18.6224857924943,13.2562070281371,10.9343055572494,11.7688857020962,10.3367608085823,11.1002099205506,9.36405121796779,6.95114908317808,11.2745685790853,10.9641555999485]
["7.78_456.22539m/z",456.22539,7.78,"Pos","Trp Ser Phe",3,"M+NH4","Metlin",1.3407,0.00150139141823399,1.50069803613948,2.95703442417688,4.43761575315908,2.94085535895406,1.45166723007633,4.40645856868311,1.69511824926758,2.95703442417688,3.66506921264201,2.70952619026104,3.83054615935401,3.88383921198524,4.55142433331173,4.43761575315908,4.62723695113179,4.15135650192753,4.73334639888381,4.77855009980707,4.33755677506642]
["9.04_457.32869m/z",457.32869,9.04,"Pos","3a,7a,12a-trihydroxy-5b-cholestan-26-al",0,"M+Na","HMDB",1.90272,0.00161629976882,0.542135199469187,6.60078874886154,3.57851992501801,4.91829583971671,7.62320590888862,8.01171119687738,3.56510656192937,6.60078874886154,7.07359825213722,8.32533238433786,6.68827109814364,6.49490152802055,3.99941206170795,3.57851992501801,1.84144206582128,2.95916594120776,4.34161241287384,1.92063784199746,3.49246762349726]
["4.21_459.09209m/z",459.09209,4.21,"Neg","Azaleatin 3-glucoside",1,"M-H20-H","HMDB",3.85297,2.26770017761627e-05,2.8352261784965,5.49568849651565,15.5815198941832,11.4659246952665,2.07538511457637,6.72168887165538,2.92474412135151,5.49568849651565,6.58135958367893,1.77647790066518,6.92423918841574,12.0266335187033,13.8722408581593,15.5815198941832,16.8921713267423,13.3748741088822,22.4572968166457,16.8724113087106,13.5750113214393]
["4.99_459.12863m/z",459.12863,4.99,"Neg","Lindleyin",1,"M-H20-H","HMDB",1.86184,0.00174493068327433,0.429134662809404,5.15524532901496,2.21229446596659,1.35382528122098,6.95782543867445,4.53455083765242,7.62610920655106,5.15524532901497,4.50288342696509,6.22458790779297,4.88693520424779,1.99044739982959,1.44446963069697,2.21229446596659,3.74946379838855,1.45512209626974,1.6408574361971,3.7369874030996,1.46871349728461]
["3.76_459.13628m/z",459.13628,3.76,"Pos","Raltitrexed",7,"M+H","HMDB",1.91947,0.000840513800438349,0.609587556749664,7.49050818088214,4.56612058079732,8.75649798976246,8.17693361002152,3.70027787992122,7.07500229118594,7.49050818088214,7.31284701132844,10.2047279583761,7.20727052557931,3.85070736864868,3.96936330842118,4.56612058079732,5.54687087211253,4.76997680175708,4.04774346277177,5.29453074183001,4.48365151003996]
["4.17_461.10930m/z",461.1093,4.17,"Pos","Glycitein 7-o-glucuronide",3,"M+H","HMDB",6.35121,2.60442789742385e-06,4.62860127123056,7.51448563075485,34.7815577431557,18.5877548577011,3.44965101882397,6.83303443703879,4.91954866485006,7.51448563075485,8.04856390005221,3.27834809436122,7.4844984424566,22.0101360800676,31.1982731765977,34.7815577431557,29.3520602011295,38.317504321384,53.2463448813358,33.2914677825167,36.0551177590584]
["8.57_461.17160m/z",461.1716,8.57,"Neg","6-o-methylarmillaridin",4,"M-H","HMDB",1.36883,0.000217534870870233,2.59020464153141,0.951663935150698,2.46500434200538,1.98150580912408,0.72912681780465,0.842363315903736,0.919797508493216,0.951663935150698,0.842857927451417,0.728320036659873,0.61767613061791,2.12660115494612,2.02294660636596,2.46500434200538,2.63048683838776,3.35724560834327,1.07570393094709,2.64845418832506,3.39359206672241]
["4.43_465.17940m/z",465.1794,4.43,"Pos","Tyr Trp Asp",4,"M+H-H2O","Metlin",1.85077,0.00113796066106934,1.3948719882395,6.58022823309227,9.17857603856311,9.03992222604035,8.21840102405953,6.63719438650231,5.27688044242201,6.58022823309227,6.47557673539182,3.70798458826202,6.70563822896782,8.00554309573498,8.86085097484672,9.17857603856311,9.14083321579442,9.01178241063951,10.7386222971286,9.48623204710305,9.00616822869444]
["5.49_472.21527m/z",472.21527,5.49,"Pos","Ser Tyr Trp",8,"M+NH4","Metlin",1.30479,0.0228255133277916,1.83694945041021,2.07548596758262,3.81256280748499,2.31354485996613,0.184125480373318,3.05501694962656,2.97492861415706,2.07548596758262,2.77047857052538,0.363294275575432,2.86701302285445,0.321783888795923,4.121915773163,3.81256280748499,5.27877410244047,4.1180184214635,3.57761830398444,5.12370019903897,4.14612896350864]
["8.45_473.26199m/z",473.26199,8.45,"Neg","Dethiobiotin",1,"2M+FA-H","HMDB",1.15816,0.00893103845218621,0.601488543088683,3.24340148135363,1.95086883167107,4.37276415195064,3.85022999330015,1.45914688205109,4.45595299126233,3.24340148135363,2.10641144523798,4.21012504548179,2.24917986019143,2.25342048470769,1.77316374027739,1.95086883167107,1.80939661376968,1.69115068995902,2.5687346254613,1.79207876329878,1.76813690422362]
["8.81_473.32398m/z",473.32398,8.81,"Pos","HECOGENIN ACETATE",5,"M+H","Metlin",1.45413,0.00217194462498317,0.707521480853337,6.18465585883992,4.37577687181468,5.69843274799371,8.3909363586723,6.59247001864001,4.14799502308432,6.18465585883992,5.68956588932284,7.24837080812836,5.52482016603789,5.08196289348663,4.81084110676433,4.37577687181468,4.33210732839088,3.9029948324487,3.47555698489183,4.32895554486841,4.69801941185201]
["6.36_474.13676m/z",474.13676,6.36,"Pos","5-o-feruloylnigrumin",1,"M+Na","HMDB",1.00153,0.0162066753440419,0.150938166025783,1.10570044933923,0.166892397997148,0.380111411361835,2.20366173234781,0.583214120422507,0.421949430040678,1.10570044933923,0.582875438239927,2.99337976451836,0.574711248443518,0.108924953664147,0.167931959985027,0.166892397997148,0.199697986258784,0.26546835872263,0.120904562747656,0.103776710657978,0.201542253943817]
["7.03_478.20976m/z",478.20976,7.03,"Pos","Trp Tyr Gln",1,"M+H-H2O","Metlin",2.57891,0.0222596381161076,1.48173060900277,14.5575719551465,21.570399958701,14.4316477693707,11.0305213190389,13.93578191941,16.1730600785801,14.5575719551465,12.1744101114808,20.484485106121,13.6730973820242,15.4617833950386,15.5746568784836,21.570399958701,32.8300815138841,16.8985344982539,22.4267596097934,31.8577516514753,15.9432321639779]
["10.99_479.24963m/z",479.24963,10.99,"Neg","Citronellyl beta-sophoroside",0,"M-H","HMDB",1.2873,8.88110422066819e-09,1.88230282261148,1.23716735540624,2.32872360512394,1.52319101848494,1.06322376817877,1.05819543637023,1.28068434102056,1.23716735540624,1.02130920871048,1.61488972026885,1.09867799480984,2.4465068063749,2.20695976368527,2.32872360512394,2.4017431254262,2.16025779220884,2.41179922995697,2.47059542185305,2.20320309636233]
["8.16_481.11005m/z",481.11005,8.16,"Neg","2,4-dihydroxy-6,7-dimethoxy-2h-1,4-benzoxazin-3(4h)-one",0,"2M-H","HMDB",2.45846,0.000685250490569613,1.94109458948296,5.0879485275411,9.87618935837781,11.5749763517255,2.8078644521569,5.25310383537715,3.16193808854107,5.0879485275411,5.01453674933972,2.48201988229747,5.32120033334989,8.13865257606491,11.2863531528159,9.87618935837782,8.96836045563216,10.7622965082455,9.95204308397751,8.63675431143073,11.3888654204781]
["5.65_483.12611m/z",483.12611,5.65,"Pos","5,7-dihydroxy-2',6-dimethoxyisoflavone 7-rhamnoside",0,"M+Na","HMDB",1.33367,0.000249102615640193,0.289333747597765,2.01681516095259,0.583532688730404,0.46472834311556,2.91791010989089,2.38976468443051,2.6554358260257,2.01681516095259,2.22759592794522,1.10190061767814,2.36037061758214,0.464399708402962,0.513391874302679,0.583532688730404,0.725121254377033,0.580458881161559,0.472487969494993,0.774303065359698,0.554566068013902]
["6.24_484.24350m/z",484.2435,6.24,"Pos","Caffeoylferuloylspermidine",1,"M+H","HMDB",1.83185,2.24108218543653e-05,1.86290683140443,2.82260485968153,5.25824987545608,5.1354499977923,2.0373989959154,2.35392050563007,2.57427338619056,2.82260485968153,2.25278071430284,3.14775612881254,2.25665428912702,6.25564384620835,5.38393226685413,5.25824987545608,5.38078581977333,4.68731016071469,4.80599575161536,5.07288049251824,5.22120079050845]
["3.65_488.12869m/z",488.12869,3.65,"Pos","Pyranocyanin b",5,"M+H","HMDB",1.36158,0.00745915855996992,5.1034698515766,0.458486135589848,2.33987017034865,0.449239000082222,0.451826257481295,0.342149816639112,0.529159745202741,0.458486135589848,0.487226606618715,0.483607462199745,0.466194060905109,0.177617898482023,3.63460339401454,2.33987017034865,0.519189762261051,3.6643138244978,4.0076539223412,0.450843569991974,3.92486882085199]
["6.78_489.21400m/z",489.214,6.78,"Neg","Deacetylnomilinic acid",2,"M-H","HMDB",1.01892,0.000128842787645488,1.80953434340385,0.966189799510004,1.74835362445983,1.05620223692965,0.910686717683561,0.702051557029319,1.14182626761992,0.966189799510004,0.759342234583049,1.38248491645309,0.810734666271433,1.29550605729771,1.44888369472466,1.74835362445983,2.05668481443769,1.51752924533647,2.32006689550404,2.05300593656539,1.54679872735287]
["4.92_493.20484m/z",493.20484,4.92,"Neg","Fluocinonide",1,"M-H","HMDB",1.44273,0.032334970673072,1.66772178881117,3.44021137295247,5.73731546478882,8.52207149842955,2.04459809535974,2.82304873773107,2.97044760745568,3.44021137295247,2.70923986470502,2.07803222641564,2.9340415805706,9.97338194713876,5.32826264050564,5.73731546478882,4.7828411366016,4.89059920890399,5.42474454972431,4.7614936501718,4.99988512047562]
["9.09_493.23994m/z",493.23994,9.09,"Neg","Flumethasone pivalate",2,"M-H","HMDB",1.3437,0.00400202563135059,1.42804691637728,3.78525634146878,5.40552364613203,4.7686249141525,3.30526139859002,3.21217986930319,4.06390567502442,3.78525634146878,3.30784464811686,4.51053469934831,3.32844318574618,6.59703635600235,4.28219044778136,5.40552364613203,6.87599626039617,4.2190623391776,4.82885178986744,6.79553067655792,4.23999765314133]
["10.64_493.28564m/z",493.28564,10.64,"Neg","(3b,4b,11b,14b)-11-ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside",10,"M-H","HMDB",1.21694,0.0410733120209765,3.88528166780887,0.57936082141819,2.25097997850278,0.377148477603485,0.361987605315389,0.633654742670996,0.58293968753867,0.57936082141819,0.602371001457883,0.803572547947553,0.693851687393352,1.03299314887222,0.973029768351118,2.25097997850278,5.44213239915528,0.989583237852569,0.666949828747833,5.67658607642136,0.975585390119099]
["9.4_496.25761m/z",496.25761,9.4,"Pos","Tyr Lys Trp",4,"M+H","Metlin",1.81718,0.00250462427273274,2.30290928359919,2.14315226572835,4.93548524891245,3.24074855489207,1.70283457966923,2.62837374558486,1.90456958337388,2.14315226572835,2.3324235760185,1.8541397348103,1.33897608574961,4.53391740406832,3.62238465155945,4.93548524891245,7.93030755663985,3.43710387131588,2.74662492317606,8.2731531123701,4.00490522325748]
["9.37_497.26557m/z",497.26557,9.37,"Neg","Repaglinide",0,"M+FA-H","HMDB",1.54151,0.00715375055424689,1.62102703329069,3.95134898520709,6.40524352298644,5.32060752938843,5.71896161637251,2.49520641073306,3.40769996675646,3.95134898520709,2.50211500115035,5.61503198850275,2.59982038354605,9.79072950650565,6.1837364029526,6.40524352298644,6.75148184089864,5.88050006498527,3.66291073065747,6.79035240052199,5.77699371438347]
["9.86_499.18249m/z",499.18249,9.86,"Pos","Musabalbisiane b",3,"M+H","HMDB",1.76277,0.00947114301034434,1.97886238254952,2.93520129702345,5.80835943189026,3.87276392919617,2.35006993118762,3.85948980421085,2.38440132772539,2.93520129702345,3.30791324783736,1.56761932748277,3.20415151152403,8.2031163398825,4.24529127281334,5.80835943189026,9.18308004873759,3.31901315182165,2.90409241276308,8.83663502599605,3.96728777121764]
["6.23_502.27994m/z",502.27994,6.23,"Pos","Arg Tyr Phe",6,"M+NH4","Metlin",1.82701,1.34169066549476e-09,3.10412587249359,1.0073478902188,3.12693464863002,1.37098854028194,0.795197202235341,0.89093997936572,1.11382786977598,1.0073478902188,0.873874881434428,1.16019578592201,0.846410972516207,3.42259487224869,2.91288487795247,3.12693464863002,3.29788535877084,2.41313540115756,3.53815055210324,3.45518063241408,2.84871084576326]
["6.14_507.18588m/z",507.18588,6.14,"Pos","Diosbulbinoside d",0,"M+H","HMDB",2.09939,4.81036565444338e-05,2.14047534768214,2.75003139912395,5.88637441517665,3.4587851705033,2.42766967935645,2.64990737289022,2.47578373085537,2.75003139912396,2.57570081022789,3.05354455380238,2.60882847623207,5.46150875914715,5.34415845668668,5.88637441517665,5.5982221925637,4.74281198543233,9.49916707816498,5.40100621652595,5.15774621771575]
["6.05_508.12204m/z",508.12204,6.05,"Pos","Delphinidin 3-(acetylglucoside)",2,"M+H","HMDB",2.14681,3.07897889097759e-06,4.01320863483316,1.08417972216055,4.35103942268572,0.552040750413442,2.4103333881866,0.517217657391848,0.441498750734721,1.08417972216055,0.460489065873278,2.66624635096852,0.541432091555414,4.00067360796197,4.36880141849673,4.35103942268572,4.138422957981,4.14119028003327,6.29630416014661,3.55122283654955,3.96066069763091]
["8.28_513.14019m/z",513.14019,8.28,"Neg","2'',6''-di-o-acetylononin",0,"M-H","HMDB",1.27948,0.000188882052897164,1.78099281482819,1.55847689177339,2.77563614632416,2.6409479397832,0.935236090935147,1.76659488496885,1.45047120895455,1.55847689177339,1.7195039685167,0.628146968914129,1.76843718034112,2.98758331076092,2.82627289592788,2.77563614632416,3.05711476749794,2.71747743198022,2.02692369069852,3.01115428505939,2.80292664234426]
["6.57_513.16082m/z",513.16082,6.57,"Pos","3-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol 2-o-(galloyl-glucoside)",1,"M+H","HMDB",2.70669,2.0138706667994e-06,2.34364549325924,3.63370676134685,8.51612047505616,4.49266148319102,3.08928681355303,3.72471048817197,3.19677639401212,3.63370676134685,3.81677436176903,3.50191159892519,3.61382618980556,9.78395845448933,8.03987013787612,8.51612047505616,9.9026050774449,5.0243096574995,8.42597347547017,10.6442207635852,7.7919057590279]
["7.78_514.26609m/z",514.26609,7.78,"Pos","(S)-MG132",4,"M+K","Metlin",1.48308,0.0066190242845143,1.45392125870644,4.39229248980296,6.38604742538115,4.75851499271133,1.94979437524683,5.27318144116556,5.50963386399439,4.39229248980296,4.68351928911923,3.62999510425062,4.94140836213276,6.79384080285951,5.57684499596088,6.38604742538115,8.52209881745262,5.08503021780783,5.12877214029543,8.18710519767165,5.40863980562016]
["7.78_515.24430m/z",515.2443,7.78,"Pos","Telmisartan",0,"M+H","HMDB",1.63016,8.04649685320839e-08,1.93093223609774,1.85731597430319,3.58635128740132,2.48823064539677,1.13038174948058,1.99745343835112,2.09561057567163,1.85731597430319,1.76323871784163,1.6542835535313,1.87201313984931,3.49679231712599,3.12750932056913,3.58635128740132,3.91162124997725,3.36948338995557,3.54143682324691,4.04115193477427,3.61646397616012]
["6.97_521.14024m/z",521.14024,6.97,"Pos","Dukunolide b",3,"M+Na","HMDB",1.713,3.03439141452161e-05,2.64391848522565,1.24917482745055,3.30271641757506,2.69389358672741,0.95987477705656,1.13244194734333,1.02301585215169,1.24917482745055,0.979253873738147,1.00802701953313,0.947716735603565,4.38232610703025,3.00002205667208,3.30271641757506,3.03062599328093,2.2812208870649,4.45727939302979,3.21039028656797,2.75715019937954]
["4.6_521.23191m/z",521.23191,4.6,"Pos","Beclometasone dipropionate",4,"M+H","HMDB",1.09695,0.00170545312467684,0.614615590517339,2.49438423974408,1.53308744248746,1.83276601909314,3.07703216019442,1.93626835865345,2.4994025065963,2.49438423974408,2.10267846328132,3.85943183378649,2.15311033660348,1.48530077009165,1.29953949067671,1.53308744248746,1.81184936127855,1.51711022358333,1.41801605136313,1.799429288465,1.40036691195381]
["5.64_525.26687m/z",525.26687,5.64,"Pos","Phe-Pro",-0.00443,"2M+H ","Main Standard Library",2.49553,1.20883921791159e-08,2.90260827725133,2.14938135654038,6.23881211646379,3.12879932419743,3.12352327813707,1.53699793664478,2.41385162841956,2.14938135654038,1.46343764985364,1.80132965336613,1.57773002516403,5.16902901773524,7.34190342065962,6.23881211646379,6.41246646222452,6.40822630201422,5.28888110580006,6.4526566816583,6.59852182515459]
["7.26_527.25899m/z",527.25899,7.26,"Pos","Macrophorin d",5,"M+Na","HMDB",1.32393,0.00199607128229428,2.18343568023202,1.29622687705398,2.8302280130354,2.7342863090409,1.47207923287809,0.122692356842028,2.29513407480351,1.29622687705398,0.142857170956292,2.20695021976053,0.0995887750965268,2.61355749775154,2.54517393435615,2.8302280130354,3.16459551067038,2.31229857092162,3.4474918062328,3.19944483640483,2.52903393491045]
["8.2_528.25993m/z",528.25993,8.2,"Neg","N-[(3a,5b,7a)-3-hydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-glycine",7,"M-H","HMDB",4.88299,0.00300283006739502,0.351799346089229,31.4846890551266,11.0762930214162,11.7919181885318,7.94720372400329,38.0678695469229,55.5891683899416,31.4846890551266,37.7764446540122,30.6172623027162,38.602956579758,11.1143214875012,16.5547665592867,11.0762930214162,5.3124927568342,15.9832792828053,7.19370509244069,5.3131456345446,16.0623403365008]
["9.86_529.27837m/z",529.27837,9.86,"Pos","(5alpha,6beta,14alpha,20r,22r)-5,6,14,20,27-pentahydroxy-1-oxowith-24-enolide",2,"M+Na","HMDB",1.39472,0.00621533445027994,1.6759464297437,2.61066736878878,4.37533865596992,3.03240466795354,2.51621934760005,2.46450013643906,2.1932142533911,2.61066736878878,2.30889070019382,3.29467417833301,2.46476829761087,3.71052319048343,3.0834786404387,4.37533865596992,6.70193710202173,3.18999383147957,3.80999094041953,6.75288500686599,3.37856188008051]
["7.79_531.26032m/z",531.26032,7.79,"Neg","(4beta,5beta,6beta,14beta,15alpha,20s,22r)-5,6-epoxy-4,14,15-trihydroxy-1-oxowitha-2,24-dienolide",1,"M+FA-H","HMDB",1.46486,7.11634120560036e-06,2.24636650675694,1.20357158921422,2.70366290649505,1.65065932463814,1.67045177160003,0.826131287136651,1.10884759030618,1.20357158921422,0.853126751842696,1.44807407817366,0.867710320802175,2.13558872703803,2.46990036989693,2.70366290649505,3.45640495376057,2.43301996970748,2.38256762085906,3.49454757136765,2.55361113283562]
["5.61_533.16559m/z",533.16559,5.61,"Neg","(z)-resveratrol 3,4'-diglucoside",1,"M-H20-H","HMDB",1.54473,0.000149128199843127,4.41268259717767,0.517596063511499,2.28398714182486,1.05709338979871,0.407728449591959,0.398206109777905,0.490226470667945,0.517596063511499,0.397685031068184,0.486899988801015,0.385333004874775,1.91168761793921,2.08408770086186,2.28398714182486,1.7005786229809,1.95869060177679,4.57576753900249,1.7259500812932,2.03114782891957]
["5.13_535.18078m/z",535.18078,5.13,"Neg","Marmesin rutinoside",1,"M-H20-H","HMDB",1.50406,4.46003602292288e-06,5.14297126177147,0.368581309830642,1.89560308408508,0.540906728663769,0.258503290301142,0.353856383633731,0.409574291529168,0.368581309830642,0.335494247399088,0.326049131450684,0.355685095836914,2.36570700444327,1.39745572339761,1.89560308408508,1.94493387504144,1.32424434963871,3.0310589410856,1.92156657021695,1.28425512477198]
["6.77_537.12350m/z",537.1235,6.77,"Pos","Jaceidin 4'-glucuronide",1,"M+H","HMDB",1.11288,1.94136168565025e-05,3.56519823926119,0.332925728770066,1.18694622201579,0.841562683850757,0.210257640061523,0.304914529072799,0.224211042923368,0.332925728770066,0.254176911336372,0.221612354164991,0.273744939980653,1.40998507022819,1.10444161637641,1.18694622201579,1.0275799685753,0.813591704518776,1.86033871045175,1.09570318582963,0.99698329813046]
["3.35_551.26465m/z",551.26465,3.35,"Neg","Ganoderic acid f",0,"M-H20-H","HMDB",1.50952,0.0308514451135685,0.63582575499349,6.1066830496442,3.88278636054597,6.00906397834744,8.62504912301513,4.20838122449269,4.84103451049697,6.1066830496442,4.39626367411659,9.98029527240384,4.68669356463676,4.90134488023455,5.57445360868946,3.88278636054597,1.80818949330021,5.03222427361358,2.77323927244165,1.87409899084981,5.21595400469254]
["8.61_565.29032m/z",565.29032,8.61,"Neg","Hordatine a",2,"M-H","HMDB",1.01873,0.00462407223539101,0.526617362163068,1.97749266794421,1.04138197248958,1.78812850379029,1.832934063196,1.44823172924412,3.78200818721898,1.97749266794421,1.46852272031713,2.03814331487145,1.48448015697147,1.47506215012134,1.00537493714845,1.04138197248958,1.02275152210512,0.897183741576875,0.899629497165227,0.993553757895707,0.99611820141437]
["9.81_567.31268m/z",567.31268,9.81,"Neg","(3a,5b,7a)-23-carboxy-7-hydroxy-24-norcholan-3-yl-b-d-glucopyranosiduronic acid",8,"M-H","HMDB",3.14948,4.68831176731004e-07,0.467066249785618,12.7236997625758,5.94281073150444,13.0431099863979,10.2211024546668,14.1996645267987,11.4628003355706,12.7236997625758,13.5728707419594,12.2264712822603,14.3398790103768,10.0054613759693,5.31572460000167,5.94281073150444,5.62246870746551,5.00408306727171,4.847681524047,5.6971911182466,5.10706472752928]
["5.62_585.20495m/z",585.20495,5.62,"Neg","Tolbutamide",1,"2M+FA-H","HMDB",1.16894,1.02642459539879e-06,2.80294478800706,0.53104518076131,1.48849032161118,0.889976055734696,0.364562919636936,0.424149453024778,0.519616224883149,0.53104518076131,0.428908780445674,0.633715128828683,0.456387702775251,1.56709548497015,1.71768346821815,1.48849032161118,1.07861320189355,1.65607575390321,1.75398436573999,1.01575420385986,1.63022577269334]
["17.07_585.27519m/z",585.27519,17.07,"Pos","Bilirubin",8,"M+H","Metlin",1.17283,4.87497092097907e-06,10.9641867471127,0.0942057403985068,1.03288933037925,0.247105101458763,0.0727165548005157,0.0705282555399634,0.0639213352250593,0.0942057403985067,0.0729807937162434,0.0560038146152193,0.0761843274337828,1.59406711965863,0.810824960658447,1.03288933037925,0.935769239861513,0.635735791731028,1.58989061148278,0.913033311888051,0.750904277374275]
["3.54_585.28879m/z",585.28879,3.54,"Pos","Glycosides",3,"M+H","HMDB",1.05394,0.0042597931531099,2.11147366485682,0.958089969901734,2.02298174001097,0.966513413555864,0.979609547347572,0.710965500556407,0.830853596822599,0.958089969901734,0.736594067874687,1.71647636914858,0.765617294006427,1.85696404079157,2.24240365389266,2.02298174001097,1.10963056921993,2.13274854454709,3.68083713539117,0.998227568522508,2.14006066771187]
["9.71_586.35467m/z",586.35467,9.71,"Pos","Janthitrem b",3,"M+H","HMDB",1.28197,0.04326335362241,0.421908532208379,3.37653862237083,1.42459045410938,2.10985714519117,2.05571454187261,2.48433683983825,9.3628501195152,3.37653862237083,2.25291066022924,3.07450523493587,2.29559581501348,1.97031976322915,1.08601931895197,1.42459045410938,1.34628829187972,1.13388492672091,1.83299999909658,1.35464089928501,1.24797997960231]
["3.48_589.19193m/z",589.19193,3.48,"Neg","Physalin D",1,"M+FA-H","HMDB",1.1859,0.000177805094631587,2.95009139982165,0.565665230082647,1.66876413044495,1.35306866719166,0.548445601483776,0.372106145525725,0.371566704024615,0.565665230082647,0.375100229861504,0.578625096345203,0.360744166146042,1.88124957783173,1.78152579053713,1.66876413044495,0.901523867745062,1.93050698863775,2.33970609505892,0.869317599978768,1.97751899332529]
["8.22_603.31469m/z",603.31469,8.22,"Neg","Oxamniquine",0,"2M+FA-H","HMDB",1.48034,9.36611600288244e-07,2.87223181066752,0.799495170656912,2.29633546163584,1.8757557445406,0.545862729914556,0.546504731596283,0.712061582461367,0.799495170656912,0.570328301379064,0.7325209127722,0.613432191934318,2.33871751592696,2.50678267939045,2.29633546163584,1.8846384331807,2.38991621492738,2.54807355896382,1.93274063777207,2.47347919128948]
["10.59_603.35095m/z",603.35095,10.59,"Pos","Physapruin b",3,"M+H","HMDB",1.62373,2.04220241139522e-05,4.4890293980688,0.542767958643428,2.43650132268014,0.352271812350718,0.765460987634926,0.678029940014546,0.422151904095066,0.542767958643428,0.552955894354216,0.499785194032623,0.528719978021901,2.54244335125174,2.31378099737837,2.43650132268014,3.71107078787254,1.73017383778669,1.10610236496513,3.4415337447075,2.210404174799]
["1.91_611.19371m/z",611.19371,1.91,"Neg","Neohesperidin dihydrochalcone",7,"M-H","HMDB",1.06507,0.000984452765582409,0.561347835778954,1.96354282114583,1.10223051310951,1.71165235084549,1.27810821681728,1.84557339977579,2.25042847701499,1.96354282114583,1.82828202334263,2.86982526838473,1.96093001183987,1.31289808261414,1.06983569283214,1.10223051310951,1.31400040583239,1.31990249151878,0.228583711819409,1.30052315186504,1.16987005528468]
["8.45_613.37018m/z",613.37018,8.45,"Pos","(24e)-3beta,15alpha,22s-triacetoxylanosta-7,9(11),24-trien-26-oic acid",5,"M+H","HMDB",1.20399,0.00177462809864152,2.78010789250971,0.691612872123305,1.92275840435131,1.44808844932283,0.278504966311084,0.21700909447869,1.14080800526183,0.691612872123305,0.235859394363126,1.25298572829681,0.268034466828762,3.09652522210476,1.13275995222093,1.92275840435131,2.4586565691527,0.935824096404171,2.33605763239375,2.17784356386263,1.32164179432022]
["8.2_617.29620m/z",617.2962,8.2,"Neg","Ganoderic acid h",1,"M+FA-H","HMDB",1.12145,3.01362529803186e-05,1.66783710329723,1.37286997805882,2.28972348740936,2.32175902054299,1.08735859504473,1.1480605608723,1.26529725620542,1.37286997805882,1.12808767701789,1.49862996229758,1.16089677443084,2.49831986019273,2.29868917511555,2.28972348740936,2.15292833930503,2.21080401268962,2.45116090614192,2.1195212307413,2.29664088767937]
["11.07_617.33114m/z",617.33114,11.07,"Pos","L-urobilin",0,"M+Na","HMDB",1.83835,0.00365800539423169,1.78995035533286,4.20034800391882,7.51841440213614,4.66970488236109,3.98498726504333,4.2281824616984,2.74517055061859,4.20034800391882,3.72158553649934,6.38135536952687,3.67144996168413,13.2243443948538,7.91667339344923,7.51841440213614,6.32559905478055,6.19503584809801,5.06357223387474,6.3960469074282,7.50762898246849]
["9.08_624.33559m/z",624.33559,9.08,"Neg","Glycochenodeoxycholic acid 3-glucuronide",5,"M-H","HMDB",1.15859,0.0115437514045461,0.595540423763869,3.45877455350916,2.05984006330053,2.90636223943029,2.89412357329404,4.60528240603281,1.93990172982997,3.45877455350916,4.49585056581646,2.71706158454937,4.65283977561121,3.95463506441927,2.07428181362883,2.05984006330053,1.08012164900077,1.89622736457869,2.41750445999613,1.07397249226565,1.92213759921439]
["8.4_632.36317m/z",632.36317,8.4,"Pos","Hydroxydestruxin b",0,"M+Na","HMDB",3.56949,3.29523884652477e-06,0.38822508069074,14.6421414482701,5.68444654523988,14.3256887846755,12.5469399331739,16.8250550302849,12.4705082230679,14.6421414482701,13.2304004317488,19.4833524119772,13.6130453229625,8.25247061573888,3.12928244606194,5.68444654523988,7.45165374638374,2.53839436264157,7.83965381685334,7.55324217019033,3.02642865880937]
["3.96_633.14610m/z",633.1461,3.96,"Pos","Meloside L",6,"M+Na","HMDB",2.66877,5.26247083303861e-05,0.213431630795523,6.8569385866067,1.46348758480422,3.15046232862363,11.3659729556304,6.59884091589578,4.68592111415482,6.8569385866067,8.71910411966975,5.10468457727258,8.3735840949999,0.586832494256982,1.22464077530848,1.46348758480422,2.11868914142519,1.83885288516256,0.974420131888294,2.09570219157734,1.40527547401067]
["12.41_635.39019m/z",635.39019,12.41,"Pos","3-trans-P-Coumaroylrotundic acid",6,"M+H","HMDB",1.07825,0.0444779685613784,1.75188213436198,1.91990988859302,3.36345583341102,1.85309366466658,1.14379307080835,2.51202080684209,1.14995192137744,1.91990988859302,2.02894985075033,2.78520994504305,1.9663499606633,7.4997937302499,2.54353648676492,3.36345583341102,3.15704632609308,1.82637779430167,3.29969077432672,3.00009468005026,2.21765104209057]
["3.17_640.16884m/z",640.16884,3.17,"Neg","N-Trifluoroacetyladriamycinol",6,"M-H","HMDB",1.29106,4.31392944527366e-05,3.5584712369595,0.464205783689689,1.65186292929,0.762511141047536,0.443602692329251,0.510773071803738,0.184683670407025,0.464205783689689,0.459781029270502,0.407117854031322,0.480971026938447,2.17560922578846,1.34877784844564,1.65186292929,1.3274722909523,1.27256756633881,2.79671628793532,1.31843865096873,1.32345863460072]
["8.18_643.27906m/z",643.27906,8.18,"Neg","Metoclopramide",1,"2M+FA-H","HMDB",1.07554,1.56797113137558e-05,2.63044801474588,0.506364053218884,1.33196431852829,1.04978123694171,0.343567682526004,0.400799426052105,0.51775918110173,0.506364053218884,0.415018577124388,0.430536848951476,0.387085419834782,1.25603016772924,1.47938502002835,1.33196431852829,0.971355925368452,1.36277778399606,1.82486286472669,0.957565544556558,1.47177292329267]
["7.28_649.34344m/z",649.34344,7.28,"Neg","Glycerol tributanoate",1,"2M+FA-H","HMDB",1.25207,0.00636218919315232,0.676394444361425,4.31089221119002,2.91586354188987,3.3186943059734,6.25801562185464,3.7788424462055,3.09419284767981,4.31089221119002,3.74853462475361,6.02870021477503,3.94926541708815,2.73062633440714,3.04888414319593,2.91586354188987,3.17587546542263,2.86129518290558,2.26949088507354,3.24380487752131,3.08106790470296]
["7.44_651.26512m/z",651.26512,7.44,"Neg","Dicrocin",1,"M-H","HMDB",7.72997,0.000338677053480392,11.1941228500607,4.47465070543965,50.0897897078021,24.6787273726154,1.04392389807363,1.29065283084342,0.988979119012457,4.47465070543965,1.18409330008665,0.883804688284952,1.25237372916104,39.3909186762714,45.6334499880038,50.0897897078021,30.3793780964282,44.8717071670722,112.277936569779,31.0376221624886,47.037515294571]
["14.66_657.18784m/z",657.18784,14.66,"Neg","Starch acetate",1,"2M+FA-H","HMDB",1.47654,0.0021326758913589,0.471126187467232,3.64514917538233,1.7173252337472,2.08244461186867,3.60399245962763,3.99121706954976,2.76203931963026,3.64514917538233,6.50578114999968,2.40139411736064,4.16917549963967,1.51907039023577,1.58939638263377,1.7173252337472,1.84228896191726,2.76472377913696,1.44700545321096,1.4846284340286,1.3741632350671]
["9.1_673.35369m/z",673.35369,9.1,"Pos","Esculentoside e",3,"M+Na","HMDB",1.35723,0.00488553253412035,0.645143152382401,4.62390040911628,2.98307768623955,3.58842032385955,4.63287163398178,5.83772987227935,2.78729263827569,4.62390040911628,5.18265195760774,5.22228649550616,5.11604994230366,4.46514908288471,3.68733039292553,2.98307768623955,1.60119773213923,3.04847451109557,3.0461247947328,1.60562295304229,3.4276443368567]
["3.76_677.24422m/z",677.24422,3.76,"Neg","Methylhydroxygliclazide",1,"2M-H","HMDB",1.50231,2.06040206187026e-05,6.75495783608403,0.284594623670133,1.92242468326795,0.609439274144188,0.200853972556511,0.170795317510628,0.257401017999905,0.284594623670133,0.168528308493425,0.399718548027187,0.185425926959087,2.49771211403795,1.93676896199988,1.92242468326795,1.04227609201261,1.86265848127639,3.24972153021232,1.03936156021201,1.82847404312451]
["4.26_725.23003m/z",725.23003,4.26,"Neg","Naringin 6''-rhamnoside",0,"M-H","HMDB",1.13109,8.71215966570182e-05,4.77393239330895,0.251418791542881,1.20025631323315,0.586987472928852,0.148708010170057,0.183990298650402,0.23378585606757,0.251418791542881,0.187956781219984,0.213713111733092,0.20479001003021,1.19255307084795,1.15609354926616,1.20025631323315,0.709812926457254,1.18432862502457,2.23471011845605,0.695930830773754,1.22836507180632]
["2.38_741.23692m/z",741.23692,2.38,"Neg","Hexacarboxylporphyrin iii",6,"M-H","HMDB",1.28384,6.96142840142718e-07,0.540448051767932,2.35572606087922,1.27314756010112,2.46089255599819,1.64717050470296,2.25669324158112,2.43466799716586,2.35572606087922,2.34877500441539,2.94860033258949,2.3932827897015,1.23597532686338,1.32688819144868,1.27314756010112,1.28052365902192,1.39707519399245,1.18096744397989,1.21303821843334,1.27756488696817]
["5.44_801.28800m/z",801.288,5.44,"Neg","Margrapine a",0,"2M-H","HMDB",1.06683,2.06195646752889e-09,2.76560090554773,0.41882477662128,1.15830218148964,0.728317682067469,0.246641548509137,0.348040422286865,0.44382953481557,0.41882477662128,0.319398846819772,0.503825679645294,0.341719722204849,1.24605666108909,1.08212062375328,1.15830218148964,1.1643133365987,1.14514380561911,1.14542114135447,1.17546378546871,1.14959591654408]
["3.6_859.17330m/z",859.1733,3.6,"Neg","Coumestrin",1,"2M-H","HMDB",2.17943,0.00261720390326249,17.0311612472532,0.241601952416108,4.11476180924993,1.05878713426347,0.104513814160426,0.0922061927840052,0.0994475918935764,0.241601952416108,0.0992420546107005,0.139571983701098,0.0974448954994781,2.54828648385885,1.88873725685162,4.11476180924993,4.74069616836228,1.96187232734266,10.8222275749451,4.80574546753635,2.03576738585258]
["6.36_901.33415m/z",901.33415,6.36,"Neg","Ptelatoside b",1,"2M+FA-H","HMDB",1.10477,0.000342631735285979,2.26976000619374,0.725389077373333,1.64645911675177,0.369882510038871,0.200346128706959,1.37500162045311,0.340088502813304,0.725389077373333,1.20600019772163,0.268037751770554,1.31836683010891,1.69889037626106,1.48102318315096,1.64645911675177,1.99877695491221,1.32249688123541,1.64753487265017,1.93899638824623,1.43749516080635]