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lme_models_times_T1_T2_summary_results.csv
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lme_models_times_T1_T2_summary_results.csv
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METABOLITE,(INTERCEPT) BETA,(INTERCEPT) SE,(INTERCEPT) DF,(INTERCEPT) 95 CI LOWER,(INTERCEPT) 95 CI UPPER,(INTERCEPT) T,(INTERCEPT) P,GENO BETA,GENO SE,GENO DF,GENO 95 CI LOWER,GENO 95 CI UPPER,GENO T,GENO P,GENO:TIMEST2 BETA,GENO:TIMEST2 SE,GENO:TIMEST2 DF,GENO:TIMEST2 95 CI LOWER,GENO:TIMEST2 95 CI UPPER,GENO:TIMEST2 T,GENO:TIMEST2 P,GENO:TIMEST2:TREATMENT BETA,GENO:TIMEST2:TREATMENT SE,GENO:TIMEST2:TREATMENT DF,GENO:TIMEST2:TREATMENT 95 CI LOWER,GENO:TIMEST2:TREATMENT 95 CI UPPER,GENO:TIMEST2:TREATMENT T,GENO:TIMEST2:TREATMENT P,GENO:TREATMENT BETA,GENO:TREATMENT SE,GENO:TREATMENT DF,GENO:TREATMENT 95 CI LOWER,GENO:TREATMENT 95 CI UPPER,GENO:TREATMENT T,GENO:TREATMENT P,TIMEST2 BETA,TIMEST2 SE,TIMEST2 DF,TIMEST2 95 CI LOWER,TIMEST2 95 CI UPPER,TIMEST2 T,TIMEST2 P,TIMEST2:TREATMENT BETA,TIMEST2:TREATMENT SE,TIMEST2:TREATMENT DF,TIMEST2:TREATMENT 95 CI LOWER,TIMEST2:TREATMENT 95 CI UPPER,TIMEST2:TREATMENT T,TIMEST2:TREATMENT P,TREATMENT BETA,TREATMENT SE,TREATMENT DF,TREATMENT 95 CI LOWER,TREATMENT 95 CI UPPER,TREATMENT T,TREATMENT P,RANDOM INTERCEPT SD,P LRT GENOTYPE,P LRT TIME,P LRT TREATMENT
m/z = 357.24594, mode = Positive, RT = 20.659,-7.7528991614,0.128094641876454,39,-7.99903192182192,-7.50676640097809,-60.524773306893,3.51959782603288e-40,3.43597223038424,0.186117199716165,39,3.07834962059296,3.79359484017552,18.4613363817219,7.07811165999781e-21,-1.85079500618424,0.25972309573121,35,-2.3516807046599,-1.34990930770858,-7.12603167220696,2.62901973494274e-08,-0.67444432071574,0.358628026862423,35,-1.36607187590951,0.0171832344780274,-1.88062357149368,0.068364968867286,0.0593095203198076,0.253914888725478,39,-0.428585769902428,0.547204810542044,0.233580317473744,0.816532557158648,0.139803001200002,0.181153179631121,35,-0.209557677160793,0.489163679560798,0.771739151830959,0.445448570792278,0.100965692602445,0.250299087340499,35,-0.381745453425612,0.583676838630502,0.403380186780682,0.689122379154747,-0.224514223213137,0.176988182149542,39,-0.564595503713063,0.115567057286789,-1.2685266354306,0.21212974422287,1.705302e-05,1.71117483094934e-40,1.99001028153277e-25,0.000711161641170612
m/z = 204.98081, mode = Negative, RT = 51.65323,0.6981364651,0.270552473113069,39,0.178272198563985,1.21800073163601,2.58041058382133,0.0137477855650095,1.76099444605762,0.393102255274745,39,1.00565181968786,2.51633707242738,4.47973630888186,6.36459755375035e-05,-0.92706262405762,0.545483005334808,35,-1.9790469898088,0.124921741693558,-1.69952613553672,0.0980926719701796,0.506638463770288,0.753294085282204,35,-0.946117337564567,1.95939426510514,0.672563974241862,0.505641077298387,-0.430169795125083,0.536299440665695,39,-1.46066459030232,0.60032500005215,-0.802107484190408,0.427351510655937,-0.6153777026,0.380407418054774,35,-1.34900762781421,0.118252222614205,-1.61768060609006,0.11470985757593,0.428679363255612,0.52573963971651,35,-0.585229183900612,1.44258791041184,0.815383377762355,0.420367221706809,0.183365644694737,0.373820985016565,39,-0.5349281855383,0.901659474927774,0.490517258378663,0.626516506310608,0.08725955,5.00538337963425e-07,0.000423305266812552,0.136857334354855
m/z = 485.33153, mode = Positive, RT = 18.73905,-8.76206099330001,0.130596814924602,39,-9.01300165786508,-8.51112032873493,-67.0924554963968,6.57407646133301e-42,3.13704533534835,0.189745273763458,39,2.77245141225938,3.50163925843731,16.532930033657,3.24839821877286e-19,-1.78709195774835,0.259750952303359,35,-2.28803137866467,-1.28615253683203,-6.88002081186302,5.4600054419602e-08,-0.380496165588144,0.358804671631883,35,-1.07246438682273,0.311472055646447,-1.06045488164244,0.296201108428532,-0.680799535704653,0.258865593654492,39,-1.17820756316837,-0.183391508240935,-2.62993442308643,0.012160569245125,-0.0629601078999975,0.181077807093848,35,-0.412175427505263,0.286255211705268,-0.347696434535276,0.730150574521522,0.228733289110518,0.250405461020881,35,-0.254183002536366,0.711649580757401,0.913451680238891,0.367254892197356,-0.18459593952551,0.180440098687072,39,-0.531310048172515,0.162118169121495,-1.02303169233822,0.312597004414812,0.07723081,9.05001073718075e-34,1.77339980680819e-23,1.51881269794335e-07
m/z = 884.92954, mode = Positive, RT = 231.26267,-9.6099978744,0.160532464462561,39,-9.91845963389821,-9.3015361149018,-59.8632675737762,5.37893694410912e-40,3.1527867399721,0.233245151767796,39,2.70460817279201,3.6009653071522,13.517051548882,2.66883907884097e-16,-1.6289412370721,0.321906471840104,35,-2.24974990076651,-1.0081325733777,-5.06029353110124,1.33704296406933e-05,1.3987510523787,0.444590787939127,35,0.541341099190717,2.25616100556669,3.14615392474173,0.00336946445776585,-1.566652477376,0.318210758597888,39,-2.17809173246358,-0.955213222288409,-4.92331712566552,1.59483733428062e-05,-0.218656807999998,0.224456922461982,35,-0.651530373088796,0.214216757088799,-0.974159342477101,0.336662519342114,0.11161876735297,0.31028321585489,35,-0.486774012700729,0.710011547406669,0.359731888962924,0.721209204885169,-0.0450679657415615,0.221805262429025,39,-0.471264883255243,0.38112895177212,-0.203187089647987,0.840045224091961,0.07236094,1.18537226615553e-23,1.15809986876265e-10,1.37361361629022e-08
m/z = 370.03884, mode = Positive, RT = 73.98233,-6.4766161854,0.1378176010012,39,-6.74143152874487,-6.21180084205513,-46.9941149631794,5.95736873321454e-36,-0.781268260458148,0.200244331801814,39,-1.16603603390459,-0.396500487011705,-3.90157490815463,0.00036712397043352,0.731281746758148,0.27943724630312,35,0.192376571996538,1.27018692151976,2.61698022161616,0.0130120605999006,-0.369130793470254,0.38584950633916,35,-1.11325598936424,0.374994402423736,-0.956670379009867,0.345295415286919,0.464211699496475,0.273188170168613,39,-0.0607170364225962,0.989140435415546,1.69923792530973,0.0972389387221212,0.470103964200001,0.1949035203558,35,0.094225239768758,0.845982688631243,2.41198293053823,0.0212460443059251,-0.267835211251082,0.26929791330743,35,-0.787186303325801,0.251515880823636,-0.994568461231716,0.326772820153964,-0.295479695001964,0.190422380765461,39,-0.6613746734127,0.070415283408773,-1.55170675744203,0.128810505537316,1.414915e-05,0.00119027488000617,8.14654035446937e-09,0.00150338851656195
m/z = 241.15381, mode = Positive, RT = 25.277,-1.8820622158,0.0718292399308197,39,-2.0200814868967,-1.7440429447033,-26.2018951838089,2.27978276024835e-26,0.34286005211735,0.104212461600639,39,0.142616697138712,0.543103407095988,3.29001010868788,0.00213066138330327,0.21542366468265,0.127709798226576,35,-0.0308694549446701,0.46171678430997,1.68682174487862,0.100532501485201,-0.514145749460316,0.176761900740157,35,-0.855037682335426,-0.173253816585206,-2.9086909979324,0.00626615768966092,0.216926989712785,0.142195103362635,39,-0.0562996870351862,0.490153666460757,1.5255587891769,0.135189331050935,-0.3637212935,0.0887931158037794,35,-0.534962136383046,-0.192480450616954,-4.09627807524825,0.000236086409009584,0.263270269251385,0.123323943223186,35,0.0254354349398215,0.501105103562948,2.1347863388939,0.039857182964107,-0.0806845787574083,0.099137531949281,39,-0.271176499751473,0.109807342236657,-0.813865114159658,0.42066374237137,0.1048125,6.03313137544111e-10,2.53255205784262e-06,0.0574003404980785
m/z = 335.13355, mode = Negative, RT = 140.59396,-2.1067270692,0.232099927020672,39,-2.55270509680885,-1.66074904159114,-9.07681056277264,3.69142410934404e-11,-1.19745183873479,0.336850843215422,39,-1.8447078572264,-0.550195820243181,-3.5548429307894,0.00100943586867469,-0.232253660465211,0.42010063709132,35,-1.04243344230997,0.577926121379548,-0.552852435724167,0.583878536817408,0.361076770115764,0.581289118339261,35,-0.759961022984419,1.48211456321595,0.621165541765788,0.538515480519277,-0.512848215769593,0.459608754173988,39,-1.39598251180072,0.370286080261537,-1.11583648290444,0.271320416272333,-0.0139254715000001,0.292195830698861,35,-0.577436053180198,0.549585110180198,-0.0476580089000371,0.962259712431494,-0.0697925419459048,0.405570999331189,35,-0.851951374257498,0.712366290365688,-0.172084646241958,0.864362173994992,-0.462788355386528,0.320420073120736,39,-1.07847278946196,0.1528960786889,-1.44431761368504,0.156636117439777,0.3176528,4.12993701421049e-09,0.930565765290649,0.00636742813458064
m/z = 843.35535, mode = Negative, RT = 203.09755,-7.94632381540001,0.246232968666935,39,-8.41945836183427,-7.47318926896574,-32.2715672820748,9.58624046148539e-30,1.58701018799174,0.35759679928748,39,0.899890992080636,2.27412938390284,4.43798767537599,7.23918501658994e-05,-1.90095219379174,0.465206560623866,35,-2.79812043521258,-1.0037839523709,-4.0862540529146,0.000243076403499666,1.87312071529705,0.643228485283997,35,0.632630537772179,3.11361089282192,2.91206120088111,0.00621217496256728,-1.14456668049571,0.487883321190864,39,-2.08203031558155,-0.207103045409863,-2.34598444091501,0.0241543376489502,1.4452588976,0.323885028137995,35,0.820634514127373,2.06988328107263,4.46225904886295,8.0430390347885e-05,-1.44939409288075,0.44883258305454,35,-2.31498450650561,-0.583803679255878,-3.22925328419088,0.00269866919964666,0.501238639903972,0.340097844403888,39,-0.152256463641493,1.15473374344944,1.47380716506018,0.148560037414474,0.2716961,0.000105180556552303,0.00066556386870316,0.0058265583464009
m/z = 255.87456, mode = Negative, RT = 72.27044,-3.9977144806,0.481918637786163,39,-4.92371702746283,-3.07171193373717,-8.29541372162881,3.83625862637986e-10,-3.30521005209985,0.700211547039555,39,-4.6506605598453,-1.9597595443544,-4.72030212308558,3.01462512925315e-05,3.13885770919985,0.977132208970209,35,1.2544217193423,5.02329369905741,3.21231628676724,0.00282412710136729,-2.02511035494319,1.34923309421952,35,-4.62715681100434,0.576936101117948,-1.50093439274453,0.142340839543072,2.49977444451138,0.955280529268577,39,0.664211065732733,4.33533782329003,2.61679618491268,0.0125643491502079,-1.1319974543,0.681535872163313,35,-2.44636485933829,0.182369950738285,-1.66095065650301,0.105657037391375,1.56551218727631,0.941677132839048,35,-0.250547362964015,3.38157173751664,1.66247234076554,0.105349749100892,-1.43084254081153,0.665866287584627,39,-2.710298925827,-0.151386155796068,-2.14884364547391,0.0379126453346515,9.126452e-05,0.000120347188274402,0.00212063357596531,0.0808382050215647
m/z = 583.25604, mode = Positive, RT = 381.06653,-7.6671275134,0.229171582475442,39,-8.10747875197361,-7.22677627482639,-33.4558387675383,2.46599641192231e-30,3.38529472392006,0.332938877596083,39,2.74555551395735,4.02503393388277,10.1679165508182,1.59342116987179e-12,-3.05531075942006,0.449160832897473,35,-3.92153421513689,-2.18908730370323,-6.80226443545998,6.88600755424872e-08,1.6476913298584,0.620621232653218,35,0.450800084083146,2.84458257563366,2.65490647623247,0.0118578582872214,-2.0296499734308,0.454225298287615,39,-2.90244000495163,-1.15685994190997,-4.46837721518898,6.59171137090861e-05,0.103642699800002,0.312998710878183,35,-0.499987013910367,0.707272413510371,0.331128200206355,0.742522068687123,-0.159627920247323,0.433103436065971,35,-0.994884085954751,0.675628245460106,-0.368567660643099,0.714670073583802,0.119392865638012,0.316617807099745,39,-0.488985546749892,0.727771278025916,0.377088284236645,0.708152170817085,0.1786222,1.59000995687879e-16,2.00970317674811e-14,2.23763149236483e-06
m/z = 484.16091, mode = Negative, RT = 155.62501,-5.0339576663,0.118493277755391,39,-5.2616414875601,-4.8062738450399,-42.4830653827614,2.83353493681867e-34,-1.49627867092157,0.171252595895492,39,-1.82533907141694,-1.1672182704262,-8.73726125491655,1.01192461032917e-10,0.426258967221569,0.179485078344517,35,0.0801152845450282,0.772402649898109,2.37489919024564,0.0231654167183584,-0.6416661613626,0.248970557911769,35,-1.12181518872739,-0.161517133997812,-2.57727727625527,0.0143306737179358,0.823484567273626,0.23375903688082,39,0.374318574237496,1.27265056030976,3.52279243729719,0.00110634271065502,-0.0789985896000001,0.124436239684879,35,-0.318978529215189,0.160981350015188,-0.634851951489819,0.529653519176094,0.426816273938703,0.173665047511913,35,0.0918967382735462,0.761735809603859,2.45769819577209,0.0190792427382596,-1.12569131714297,0.163071331246833,39,-1.43903148748492,-0.812351146801013,-6.90306081722646,2.91227379148568e-08,0.2384111,1.71984170665591e-13,0.00362374249383295,6.86532800058146e-09
m/z = 705.18365, mode = Positive, RT = 21.72841,-7.7513909918,0.124635652889184,39,-7.99087733442306,-7.51190464917694,-62.1924049187746,1.23235642112975e-40,1.66540444726053,0.181091405235389,39,1.31743885864317,2.01337003587789,9.19648530583645,2.59595146678992e-11,-1.54999162766053,0.252709692383016,35,-2.03735171562065,-1.06263153970042,-6.13348705799267,5.1526133600045e-07,0.703768107682879,0.348943855365414,35,0.0308168392120179,1.37671937615374,2.01685198596173,0.051433528540034,-0.710793894818244,0.247058327116506,39,-1.1855143604647,-0.236073429171785,-2.87702868838358,0.00647829203352223,0.870763780200002,0.176261430149107,35,0.530837023567146,1.21069053683286,4.94018333712251,1.92173960508613e-05,-0.247904632212492,0.243540164148762,35,-0.717580942219111,0.221771677794126,-1.01792093751347,0.315700675645568,0.519957106903167,0.172208902048798,39,0.189059172301192,0.850855041505142,3.01933930660465,0.00445128284010916,2.881537e-05,4.65440698556346e-16,4.24385142022304e-09,0.00438454192154912
m/z = 400.0088, mode = Negative, RT = 70.73046,-6.1891168478,0.142683900360676,39,-6.46328274380532,-5.91495095179468,-43.3764204101176,1.27932101749332e-34,-0.32367085116651,0.207314887587398,39,-0.722024637171554,0.0746829348385344,-1.56125232940668,0.126543253760426,0.369596608866511,0.289084582172855,35,-0.187913813733908,0.92710703146693,1.27850681654656,0.209484045616616,-0.0943784794815337,0.3991768078496,35,-0.864205874508253,0.675448915545186,-0.236432772710315,0.814475130941958,0.12906481543004,0.282834348614402,39,-0.414398969993087,0.672528600853166,0.456326524915821,0.65068639092935,0.2215232712,0.201628152646089,35,-0.167324157967456,0.610370700367456,1.09867232473648,0.279411546844987,0.0344691227490098,0.278598730177864,35,-0.502818942321606,0.571757187819626,0.123723186846559,0.902242254555047,-0.433974813190803,0.197146130151416,39,-0.812789418625021,-0.0551602077565841,-2.20128496997376,0.0337003943511568,0.01692422,0.409130169128525,0.00113967282307317,0.00960024182553249
m/z = 388.66566, mode = Positive, RT = 118.7695,-9.2594608348,0.167545633958374,39,-9.58139833959109,-8.9375233300089,-55.2653066274497,1.17192502235287e-38,1.22031179248751,0.242749154120619,39,0.753871365951791,1.68675221902323,5.02704858811229,1.14990860599911e-05,-0.51539393558751,0.279771120259778,35,-1.05494299875463,0.024155127579608,-1.84219849106994,0.0739315117523738,0.784935306336457,0.387593463488389,35,0.0374468238916736,1.53242378878124,2.02515104169183,0.0505319080814521,-0.0923836920811998,0.331269679571445,39,-0.728915552294718,0.544148168132318,-0.278877596647886,0.781812252521863,1.0902716984,0.194277902529035,35,0.715599501333051,1.46494389546695,5.61191820689468,2.50838938685446e-06,-1.04739127486934,0.2703889778063,35,-1.56884652561374,-0.525936024124941,-3.87364634226941,0.000449232986472627,0.36760330057551,0.231007374145684,39,-0.0762753960145885,0.811481997165608,1.59130548076652,0.11961517566481,0.2881331,5.07191369475605e-10,2.39414338838138e-06,0.00324280896168779
m/z = 1075.43315, mode = Negative, RT = 337.51781,-7.1517535453,0.322816720884364,39,-7.77204311758558,-6.53146397301442,-22.1542227605423,1.05879807608876e-23,2.61731819451116,0.468724280978163,39,1.71666849157351,3.51796789744882,5.58391852252496,1.95870570331015e-06,-2.07104216831116,0.601062738970842,35,-3.23021412793034,-0.911870208691987,-3.44563393142164,0.00149773920167108,1.76698284250624,0.831286702534299,35,0.163815363464102,3.37015032154837,2.12559979260986,0.0406681635146608,-1.8662456983849,0.639511484084841,39,-3.09506155354872,-0.637429843221071,-2.91823641143137,0.00581651746172492,0.0281489563000024,0.41832716572421,35,-0.778610619721549,0.834908532321553,0.0672893338190714,0.946734301666849,-0.279126139218647,0.580034466876001,35,-1.3977442900735,0.839492011636208,-0.481223367159522,0.633352755391486,0.00894568708282633,0.445809579096832,39,-0.847673611884167,0.86556498604982,0.0200661616579649,0.98409290617101,0.3883478,2.81790976484621e-06,0.000242083055825494,0.00220749743460855
m/z = 205.15937, mode = Positive, RT = 332.44674,-4.8819587328,0.130462402952079,39,-5.13264112590777,-4.63127633969224,-37.4204262862861,3.55772650548068e-32,-0.807010880367295,0.188066330522408,39,-1.16837872835696,-0.44564303237763,-4.29109707264235,0.00011359646268207,0.505932636567295,0.179610763518127,35,0.15954656533538,0.85231870779921,2.81682804892833,0.00791857516142236,-0.653634807069446,0.249400182405405,35,-1.13461238132942,-0.172657232809469,-2.62082730158934,0.012890425087738,0.547638852550433,0.256775200817459,39,0.0542474970708662,1.04103020803,2.13275600917453,0.0392949644202133,-0.111884909699999,0.124362291036033,35,-0.351722236581714,0.127952417181716,-0.899669093966604,0.374444891995436,-0.00939986075476653,0.1739535054375,35,-0.344875698311874,0.326075976802341,-0.0540366273799743,0.957213252739578,-0.0274203851104114,0.179197856229451,39,-0.371747535483999,0.316906765263177,-0.153017372458415,0.879173549051595,0.2895057,0.000116724466467181,0.00544242181679525,0.00582182965514529
m/z = 288.1309, mode = Negative, RT = 340.46488,-4.0461913645,0.107565674422607,39,-4.25287788927921,-3.83950483972079,-37.6160088821942,2.91876834860442e-32,-0.709595743021189,0.155439464152674,39,-1.00827134591878,-0.410920140123595,-4.5650938575304,4.88712814392853e-05,0.231665318921189,0.162150821890573,35,-0.0810486022355072,0.544379240077884,1.42870271158741,0.161954007536179,-0.342286419037967,0.224938192045297,35,-0.776088130507874,0.0915152924319402,-1.52169098509087,0.137070842213373,-0.05246569556811,0.212176888438292,39,-0.460161774686073,0.355230383549854,-0.247273376258266,0.805993806976418,-0.3002211139,0.112410432460022,35,-0.517008834761606,-0.0834333930383935,-2.67075846369304,0.0114041031564145,0.0884190697894084,0.156901043811942,35,-0.214170458107788,0.391008597686605,0.563533980662268,0.576664352713182,-0.0885275127288836,0.148018435276312,39,-0.37294367201703,0.195888646559263,-0.598084370798986,0.553241252612627,0.2177131,3.82648405045263e-09,0.0015823479610379,0.103157810771303
m/z = 652.11169, mode = Negative, RT = 37.33182,-6.0089572635,0.118059760265076,39,-6.23580808460475,-5.78210644239524,-50.89758991555,2.78441639418158e-37,0.886357900922365,0.171255062287652,39,0.557292761275526,1.2154230405692,5.17565956347367,7.1845935920703e-06,-1.06253836112236,0.208039752959739,35,-1.46375080115806,-0.661325921086669,-5.10738138267254,1.1595294180169e-05,-0.0742592534397943,0.28798642004621,35,-0.629651829330064,0.481133322450476,-0.257856788621764,0.798027598144811,-0.0660217079104359,0.233677039223377,39,-0.51503014314806,0.382986727327188,-0.282533997049339,0.779028192146271,-0.207145816799999,0.144617523903738,35,-0.486046117400567,0.0717544838005696,-1.43237009740176,0.160909324434336,0.153900835521805,0.200920047280524,35,-0.23358098597943,0.541382657023039,0.765980486292285,0.448823226249938,0.131381204124435,0.162922567303798,39,-0.18167311757144,0.444435525820311,0.806402736580083,0.424900932307402,0.1772395,2.85573089204812e-10,8.03884102533913e-16,0.368693156796578
m/z = 1183.06271, mode = Negative, RT = 339.26074,-6.5217466728,0.251885307558543,39,-7.00574214014284,-6.03775120545717,-25.8917311851714,3.53906508270404e-26,2.48971469724207,0.365927162129391,39,1.78658878027254,3.1928406142116,6.80385321153534,3.98845393367049e-08,-1.78561380534207,0.491777052204945,35,-2.73402423297266,-0.837203377711482,-3.63094169875565,0.000894489574443106,1.03683234082275,0.679555528803479,35,-0.273715898021561,2.34738057966706,1.52575072510755,0.13605867797574,-1.89732530616474,0.499232260694628,39,-2.85659583158576,-0.938054780743725,-3.80048617756556,0.00049478095949498,0.255286038900001,0.342661930639398,35,-0.405550302920598,0.916122380720601,0.745008464826089,0.461240352985762,0.15465348563601,0.474225327912826,35,-0.759907785619941,1.06921475689196,0.326118147920684,0.746276956162737,0.393093977540856,0.347991378111593,39,-0.275568483612234,1.06175643869395,1.12960838189158,0.265541332812533,0.2067705,1.52368348667872e-08,0.00043425945779704,0.000417460437810452
m/z = 844.74797, mode = Negative, RT = 337.47845,-8.1080206489,0.266518844276973,39,-8.62013433207513,-7.59590696572487,-30.4219413486348,8.79136401447108e-29,2.53532208095385,0.387119869227006,39,1.79147455828453,3.27916960362317,6.54919130350074,8.96285745046367e-08,-2.07264276725385,0.510596924487465,35,-3.05734802206149,-1.08793751244621,-4.05925431167523,0.000262925998236228,1.68750874418398,0.705810587604856,35,0.32632664303634,3.04869084533161,2.39088046257634,0.0223197719289283,-1.95598840694014,0.528154324989477,39,-2.97083243190579,-0.941144381974486,-3.70344104818058,0.000657170599605847,0.268624734100002,0.355606534568187,35,-0.417175760262013,0.954425228462017,0.755398756735988,0.455063576496572,-0.23920133093977,0.492519883911429,35,-1.1890443372831,0.71064167540356,-0.485668373508319,0.630228961770501,0.174895740522651,0.368161213546093,39,-0.532522887165004,0.882314368210306,0.475052053523164,0.637399606568985,0.2653846,6.45766861531414e-08,0.000134028335072573,0.000234002493054371
m/z = 469.21897, mode = Positive, RT = 328.52828,-5.6738470685,0.102121671195754,39,-5.87007298757125,-5.47762114942875,-55.5596770211873,9.55042783296829e-39,-0.150039988429608,0.147455522504853,39,-0.433374515634739,0.133294538775523,-1.01752708803883,0.315173817515513,-0.414404033570392,0.149471610474845,35,-0.702665621567391,-0.126142445573393,-2.77245981530475,0.00885504234359973,0.20459165633763,0.20741850504253,35,-0.195422683867698,0.604605996542959,0.986371280111581,0.330721055074481,-0.247474416555396,0.201294532692771,39,-0.634260142044972,0.139311308934179,-1.22941449648366,0.226282256327756,0.163611887300001,0.103576789572742,35,-0.0361398230550188,0.36336359765502,1.57961921753808,0.123190446151641,0.288497189481715,0.144677204097983,35,0.00948179339571931,0.56751258556771,1.99407495659322,0.0539805779377486,-0.119602922514996,0.140443703134308,39,-0.389464298681407,0.150258453651415,-0.851607582581459,0.399631042006077,0.2137905,1.86694963257531e-06,3.19464597074495e-05,0.00570914803454826
m/z = 719.32991, mode = Positive, RT = 225.32989,-8.7808186064,0.155745333227538,39,-9.08008193411278,-8.48155527868721,-56.3793368599466,5.43186715226609e-39,2.06792661637472,0.226040587110207,39,1.63359155865634,2.50226167409311,9.14847480628113,2.98911454814799e-11,-1.35464676087473,0.282220449120961,35,-1.89891944630569,-0.810374075443766,-4.79995962409556,2.93141330123889e-05,0.520764676637075,0.39049831934833,35,-0.232325928916095,1.27385528219024,1.33359005873863,0.190952681214057,-0.751507408639744,0.30841551012196,39,-1.34412517743344,-0.158889639846047,-2.43667190519234,0.0194894371412093,0.423563895200001,0.196299837653045,35,0.0449923206671732,0.80213546973283,2.15773940653298,0.0378931528083639,0.136408276637472,0.272455095966866,35,-0.389031560210348,0.661848113485292,0.500663333726234,0.61974207391541,0.135681165846837,0.215013781230929,39,-0.277465978544771,0.548828310238444,0.631034741448096,0.531698872442587,0.2122024,4.2470017505967e-16,7.83160254459039e-06,0.0342705856040472
m/z = 210.11285, mode = Negative, RT = 327.98023,-2.5044474671,0.10345570731724,39,-2.70323672518586,-2.30565820901414,-24.2079198146148,4.19464499435207e-25,-0.844268151666523,0.148411689493167,39,-1.12943994557392,-0.559096357759129,-5.68869038921219,1.40156322889011e-06,0.179173993066524,0.117511538136721,35,-0.0474514007701316,0.40579938690318,1.52473532308003,0.136311269274806,-0.3602345661852,0.163427755101814,35,-0.675411100771089,-0.0450580315993109,-2.20424349560928,0.0341753239160855,0.287616568447687,0.202730496418218,39,-0.10192834907703,0.677161485972404,1.41871387644785,0.163925030232229,0.1287143015,0.0812068309012933,35,-0.0278961073759384,0.285324710375939,1.58501815760367,0.121957251550128,0.288870932654518,0.113982514179005,35,0.0690513934339914,0.508690471875045,2.53434427846412,0.0158940923385402,-0.962582013226618,0.141586129897824,39,-1.23463855266266,-0.690525473790574,-6.79856151108354,4.05598552668488e-08,0.2585206,6.03133274028685e-09,3.68167979097729e-07,2.30625380396224e-10
m/z = 234.18087, mode = Positive, RT = 19.39639,-7.1642083474,0.0972835369703424,39,-7.35113783287538,-6.97727886192463,-73.6425562897047,1.78712602307808e-43,0.693990912391647,0.140805979955832,39,0.423433424406565,0.96454840037673,4.92870340172581,1.56802141377889e-05,-0.953504211791647,0.155868497026408,35,-1.25410243461671,-0.652905988966589,-6.11736322593848,5.41039079186945e-07,0.179121780434006,0.216060769256165,35,-0.237559489352117,0.595803050220129,0.829034262215538,0.412703385223467,-0.299923829507316,0.192171518917794,39,-0.66917976193991,0.069332102925279,-1.56070905405923,0.126671419983263,0.383528601400001,0.108159228697483,35,0.174939485902955,0.592117716897048,3.54596279964898,0.00113437105744204,0.0434602119656423,0.150717980202054,35,-0.247205046639141,0.334125470570425,0.288354527491539,0.774776213519283,-0.0379452708479682,0.134029624329104,39,-0.295482049367186,0.21959150767125,-0.283111073674244,0.778589061768748,0.1806158,9.28061209151933e-09,2.65661244223941e-08,0.163440040126237
m/z = 909.84086, mode = Negative, RT = 337.89492,-7.5055386008,0.290048768091217,39,-8.06286483163582,-6.94821236996419,-25.8768159926802,3.61513539205821e-26,2.3039158811179,0.421231173873446,39,1.4945237778851,3.11330798435071,5.46948095016844,2.82197829817554e-06,-1.6450741081179,0.548194147613099,35,-2.70228701309431,-0.587861203141494,-3.00089688166272,0.00493729356395861,1.39329009160072,0.757968065070482,35,-0.068479654467549,2.85505983766899,1.83819102124198,0.0745337358298819,-1.69023443538643,0.574701920529179,39,-2.79451926765954,-0.585949603113315,-2.94106279274319,0.00547772844369265,-0.098903237799997,0.381665886199511,35,-0.834960165872424,0.63715369027243,-0.259135650777802,0.79704866754051,-0.162593808857146,0.52889620221305,35,-1.18258990477914,0.857402287064851,-0.307421017917708,0.760344810479013,-0.0218527055678389,0.400617800137785,39,-0.791636387208267,0.747930976072589,-0.0545475152634833,0.956777432759008,0.3192495,5.23044269603781e-06,0.000531868646868199,0.00157749421027097
m/z = 301.05696, mode = Negative, RT = 33.09885,-2.2598247175,0.226917398212927,39,-2.69584456026419,-1.82380487473581,-9.95879881973398,2.87595761144309e-12,1.40614568276973,0.328715798350071,39,0.774521083512632,2.03777028202684,4.27769425694665,0.000118339851197636,-1.01028480896973,0.37630082404391,35,-1.73599501413095,-0.284574603808523,-2.6847796879973,0.0110162047653055,0.216856829681255,0.521375828871811,35,-0.788635945143251,1.22234960450576,0.415931881902743,0.679999213968757,-0.238967146629396,0.448592151613941,39,-1.10093313492451,0.622998841665718,-0.532704697952565,0.597260437037726,0.269871385900002,0.261276908006284,35,-0.2340108976291,0.773753669429103,1.03289413503589,0.308738153250657,-0.544866644705858,0.363713290083387,35,-1.24630132010661,0.156568030694892,-1.4980663604042,0.143081618996867,0.422905107450571,0.312828848365048,39,-0.178192853086777,1.02400306798792,1.35187374713304,0.184204376772764,0.3957924,4.99096285382755e-06,0.000137151650770761,0.462448749290781
m/z = 648.19398, mode = Negative, RT = 23.48955,-6.9307613001,0.0911282933387163,39,-7.10586353750373,-6.75565906269627,-76.05498848024,5.12724323337968e-44,0.66515695574437,0.132353595523021,39,0.410840652262551,0.919473259226188,5.02560548593992,1.15516146651382e-05,-0.16790306084437,0.173319670812341,35,-0.502156524634342,0.166350402945602,-0.968747863744585,0.339318129193391,-0.0488714776640426,0.239615703802807,35,-0.510979319198538,0.413236363870453,-0.203957741034627,0.839567835796536,-0.0404266625156815,0.180573744829247,39,-0.387397571083523,0.30654424605216,-0.223878961772152,0.824020166468023,0.222738784800001,0.120687542307151,35,-0.0100116517972503,0.455489221397252,1.84558224106617,0.073426253082039,0.0911215917860366,0.167202258924161,35,-0.231334214510874,0.413577398082947,0.544978233980483,0.589224606067442,-0.0641795986741442,0.125874323924691,39,-0.306046037113533,0.177686839765244,-0.509870453902432,0.613015688871532,0.09601842,4.04375634654289e-09,0.0245607558020968,0.870165629683116
m/z = 91.02313, mode = Negative, RT = 36.86272,-5.8947475386,0.145422613588131,39,-6.17417584868294,-5.61531922851707,-40.5352881037831,1.69851040471527e-33,-0.80965131245342,0.211294158912075,39,-1.21565123432537,-0.403651390581466,-3.83186793530973,0.000451136110303742,-0.33774142564658,0.294857058644005,35,-0.906384284894753,0.230901433601593,-1.14544120869886,0.25979848140719,-0.337579876160153,0.407141324754892,35,-1.12276713974957,0.447607387429264,-0.829146676190102,0.412640634737212,0.634530079465088,0.288263163911354,39,0.0806348718116046,1.18842528711857,2.20121804969926,0.0337054935754556,0.0495709261000019,0.205658620689042,35,-0.347049411345767,0.446191263545771,0.241035002247505,0.810934448511867,-0.421514296182447,0.28415822063863,35,-0.96952404641845,0.126495454053556,-1.48337885574845,0.14692371291384,0.00408156840651438,0.200930215701159,39,-0.382004125094989,0.390167261908018,0.0203133629866045,0.983896969176223,0.0001475035,2.15932570467293e-09,4.90716100807435e-06,0.00612325556615006
m/z = 177.16461, mode = Positive, RT = 328.57633,-4.8025210682,0.138085055070887,39,-5.06785032225569,-4.53719181414431,-34.7794413069147,5.6965794157144e-31,-0.556668562169044,0.198854362342662,39,-0.938765521170233,-0.174571603167854,-2.79937817612371,0.00792033294795081,-0.0667149804309569,0.183055399642444,35,-0.419744161187904,0.28631420032599,-0.364452403814742,0.717712988241238,0.14621584496604,0.254273730022228,35,-0.344160548044477,0.636592237976557,0.57503323270264,0.568947239667312,-0.186113734306533,0.271531641831159,39,-0.707859465172139,0.335631996559072,-0.685421901666476,0.497131921823958,-0.0692228873999988,0.126690936501803,35,-0.313551094106401,0.175105319306403,-0.546391788642382,0.58826316106235,-0.293167142487662,0.177349709805966,35,-0.635192687118282,0.0488584021429574,-1.65304551559971,0.107265355170079,0.515225779311941,0.189525150275133,39,0.151054821625912,0.879396736997971,2.71850874970414,0.00973549705037065,0.3156723,5.23938748920834e-05,0.00687036722430858,0.0300215199256983
m/z = 229.15522, mode = Positive, RT = 25.16714,0.0974818543000002,0.0885361877472148,39,-0.0726396743465525,0.267603382946553,1.10103966276848,0.277628713527772,0.746741740372649,0.128460917896659,39,0.499905183705949,0.993578297039348,5.81298773665442,9.41950252850779e-07,0.203403124927351,0.158014102170244,35,-0.101332977619562,0.508139227474264,1.28724665794832,0.206456171739357,-0.516469196534067,0.218692501567979,35,-0.938225860456752,-0.0947125326113827,-2.36162279379079,0.0238898852369678,0.233821742826484,0.175280194362069,39,-0.102977653726234,0.570621139379202,1.33398838173061,0.189945681498568,-0.4660802953,0.109871657263,35,-0.677971893295624,-0.254188697304375,-4.2420430064538,0.000154142579445513,0.0761355131740585,0.152579405048335,35,-0.218119572826184,0.370390599174301,0.498989448477269,0.620908784485953,-0.139265216862769,0.122202881507869,39,-0.374077010052794,0.0955465763272564,-1.139623019886,0.261394564153774,0.1275495,3.86282073446618e-15,2.14765441475182e-10,0.0250903306780612
m/z = 790.37236, mode = Positive, RT = 334.96101,-4.8370063759,0.397483026764975,39,-5.60076661727592,-4.07324613452409,-12.1690891187664,7.45694051818713e-15,2.46331551163999,0.577078184901453,39,1.35446470766914,3.57216631561083,4.26859925758698,0.000121668517134292,-1.46676709813998,0.734934511898959,35,-2.88411577593085,-0.0494184203491195,-1.99577931692183,0.0537862545837469,1.48031439687336,1.0165576775238,35,-0.480155082799958,3.44078387654668,1.45620305625865,0.154249232170648,-1.66067942023389,0.787354043007998,39,-3.17357348977528,-0.147785350692501,-2.10919018576376,0.0414000564923869,-0.343689983999998,0.511417157721315,35,-1.32997708925915,0.642597121259148,-0.672034519786848,0.505974013849809,-0.645467088918951,0.709296230491149,35,-2.01337138266491,0.722437204827005,-0.910010600890971,0.369041551620428,0.261918939493908,0.5488808025624,39,-0.792750835121497,1.31658871410931,0.477187284144688,0.635892097130057,0.4956157,0.000273182450754097,0.00125121665617657,0.102746466432848
m/z = 359.12695, mode = Positive, RT = 141.07123,-4.0536768538,0.16995172189818,39,-4.38023763601915,-3.72711607158085,-23.8519316457918,7.21319420719389e-25,-0.687029883799731,0.24635645625357,39,-1.16040171057712,-0.213658057022342,-2.78876346188623,0.00813920102654444,-0.69627085680027,0.289882285300866,35,-1.25531967970092,-0.137222033899619,-2.40190895444893,0.0217526325428022,0.678337677355419,0.40147837137272,35,-0.0959283689572725,1.45260372366811,1.68959955435724,0.0999947661548169,-0.621959643373819,0.336175982611747,39,-1.26791892297886,0.0239996362312188,-1.85010136221459,0.0718860070302381,-0.0466433272999988,0.201379506586132,35,-0.435011233246526,0.341724578646528,-0.231619036567899,0.818182768535431,-0.101103454525009,0.280084294233744,35,-0.641256485407253,0.439049576357235,-0.360975094307263,0.72028783996703,-0.234794226662813,0.234411109920326,39,-0.685213172475572,0.215624719149947,-1.00163437962738,0.322694672052815,0.2786943,4.75717942763638e-11,0.0122163716543959,0.00445490611896555
m/z = 735.94092, mode = Positive, RT = 329.94761,-6.4542911727,0.272805489223104,39,-6.97848459045042,-5.93009775494958,-23.6589490595682,9.70611263105589e-25,1.26980428367202,0.394862467820422,39,0.511079423928174,2.02852914341587,3.21581407997863,0.0026149304455727,-1.61441978037202,0.43752665639442,35,-2.45820629182129,-0.770633268922758,-3.68987753495106,0.000757748992403564,1.45779651522109,0.606479929571526,35,0.288177301035818,2.62741572940637,2.40370116823325,0.0216617135364736,-0.894847240883025,0.538905587912032,39,-1.93034972573728,0.140655243971233,-1.66048981668584,0.104836298435002,0.117579225300002,0.30361066883672,35,-0.467945298411694,0.703103749011698,0.387269741707382,0.700901526332869,-0.114181082697483,0.423064016216377,35,-0.930075851954984,0.701713686560018,-0.269890792695271,0.788829253590366,-0.394881732543541,0.375857122398637,39,-1.11708798336737,0.327324518280289,-1.05061660139229,0.29990148980925,0.5056571,0.00329404142659207,0.000594034525873863,0.00389177408007504
m/z = 911.84521, mode = Positive, RT = 334.91698,-3.9614424769,0.380365472894642,39,-4.69231148470005,-3.23057346909996,-10.4148319424284,7.99282871680503e-13,2.18132685451621,0.552378840220813,39,1.11993563041382,3.24271807861859,3.94896888817143,0.000318898065191409,-1.13810119681621,0.717132762001044,35,-2.52111853450579,0.244916140873376,-1.58701604099152,0.121503466182874,1.04458633989708,0.991596672272369,35,-0.867744908115244,2.95691758790941,1.05343873079291,0.299358457874173,-1.32983650665867,0.75363406921587,39,-2.77793793453113,0.118264921213786,-1.76456527243032,0.0854679840242555,-0.467050737699998,0.499255846812176,35,-1.42988430028534,0.495782824885347,-0.935493776752317,0.355944009197116,-0.363327230144748,0.691913500198071,35,-1.69770827876016,0.97105381847066,-0.525104987893342,0.602820992452559,0.112098952042465,0.525351751575798,39,-0.897359952043118,1.12155785612805,0.213378848944966,0.832143036456502,0.425366,0.000513755685303946,0.0033272781021053,0.184817578088978
m/z = 816.34401, mode = Positive, RT = 340.17872,-6.4039498129,0.0913358510313877,39,-6.57945087063763,-6.22844875516237,-70.1143060538109,1.19574151419431e-42,0.510727367098848,0.13266190097197,39,0.25581865732984,0.765636076867856,3.84984206736762,0.00042784325543675,-0.283477260898848,0.174509909747804,35,-0.620026144966573,0.0530716231688768,-1.62441927400295,0.113259486792406,0.205147088361249,0.241241203108543,35,-0.260095589344952,0.670389766067451,0.850381633476375,0.400893141169142,-0.20205506466328,0.180993445408597,39,-0.549832424310048,0.145722294983488,-1.11636675133255,0.271096256159518,0.0442356253000012,0.12152983995288,35,-0.190139213791828,0.278610464391831,0.363989826014354,0.718055322240789,-0.141796694738955,0.168338637283354,35,-0.466444049178994,0.182850659701084,-0.84233006175687,0.405322524381304,-0.0285654988992039,0.126165892995469,39,-0.270992184818056,0.213861187019648,-0.226412211898106,0.822063340650341,0.09295555,0.000148044723243954,0.145379597536045,0.164052983104804
m/z = 736.36315, mode = Positive, RT = 339.80616,-6.8508653578,0.131394955812134,39,-7.10333964326425,-6.59839107233575,-52.1394852295186,1.1020287432295e-37,1.17129082598117,0.190912444692028,39,0.804454193920737,1.5381274580416,6.13522511783161,3.3605355204305e-07,-0.783659023581169,0.266414771024907,35,-1.2974498679932,-0.269868179169139,-2.94149990470274,0.00575886069827737,0.60585098037338,0.367867953332336,35,-0.103596118402819,1.31529807914958,1.6469251395379,0.108524408242569,-1.05208066309081,0.260456917599298,39,-1.55254640592437,-0.551614920257244,-4.03936540748513,0.000243403213436966,-0.0169303509999983,0.185820528343497,35,-0.375292185816465,0.341431483816468,-0.0911113058978171,0.92792361222369,0.0223163857473043,0.256747956333609,35,-0.472831645190421,0.51746441668503,0.0869194289449656,0.931230938215893,0.0924694210005509,0.181548221160091,39,-0.256373935514861,0.441312777515963,0.509338072329613,0.613385289600648,1.801047e-05,2.53238547090212e-07,0.00108069438998185,1.4595698119006e-05
m/z = 846.75657, mode = Positive, RT = 335.65777,-4.1297743832,0.377646205896402,39,-4.8554183426858,-3.40413042371421,-10.9355643422852,1.9146498757626e-13,2.26525254169863,0.548369378502803,39,1.21156546404611,3.31893961935114,4.13088810298522,0.000184794142701971,-1.25273719119863,0.706185279626597,35,-2.61464189991605,0.10916751751879,-1.77394973718657,0.0847723015804442,1.30410578242228,0.976600799189446,35,-0.579305363809159,3.18751692865373,1.33535195087354,0.190381388445047,-1.42943934056982,0.74817198757771,39,-2.86704542522139,0.00816674408175144,-1.9105758626406,0.0634310848327821,-0.457753869599998,0.491539412223292,35,-1.40570599964307,0.490198260443073,-0.931265852171491,0.358095624131873,-0.49091702595594,0.681435398734558,35,-1.80509066423121,0.823256612319334,-0.720416090604605,0.47605305848812,0.107547080525734,0.521552967911364,39,-0.894612493190709,1.10970665424218,0.206205480828577,0.837703126927009,0.443658,0.000267268110197049,0.00135124755606622,0.115594674491993
m/z = 916.55012, mode = Positive, RT = 339.40651,-5.531946825,0.113374395195586,39,-5.74979475713731,-5.31409889286269,-48.7936170725024,1.40922201934287e-36,0.593131971627603,0.16470725850891,39,0.276648381022582,0.909615562232623,3.60112831090267,0.000883761780170702,-0.284039106727603,0.221765944335876,35,-0.711723019912388,0.143644806457182,-1.28080579539937,0.208684342237978,0.183111931658462,0.306433364765192,35,-0.407856266662675,0.774080129979598,0.597558727975895,0.553981233997575,-0.264670484229137,0.224708831828604,39,-0.696446585547277,0.167105617089004,-1.17783748006404,0.245998949857233,-0.235601006699999,0.154530191279232,35,-0.533618256866229,0.0624162434662316,-1.52462767792913,0.136338069194188,-0.143921340115249,0.213844636982927,35,-0.556328715974187,0.26848603574369,-0.673018234854022,0.505355520785475,-0.0486994701257391,0.156633652643465,39,-0.349669696009874,0.252270755758396,-0.310913199710604,0.757522358311734,0.0908183,0.000459549588815205,2.7925436437894e-05,0.0898793083557616
m/z = 741.06143, mode = Positive, RT = 335.89154,-5.5591585978,0.365578365891155,39,-6.26161430577652,-4.85670288982348,-15.2064758653009,5.52633609892502e-18,2.30785890732755,0.530968020160903,39,1.2876083911193,3.3281094235358,4.34651206795502,9.58846699695021e-05,-1.38818263502755,0.696048603987112,35,-2.73053838586885,-0.0458268841862455,-1.99437600632448,0.0539462092425259,1.37353206317538,0.962273624878908,35,-0.48224859185345,3.22931271820421,1.42738201241692,0.162331524260726,-1.50608046804659,0.724413761077402,39,-2.89803532337594,-0.114125612717246,-2.07903348744596,0.0442381625479384,-0.395951780699998,0.484691501830863,35,-1.33069745957878,0.538793898178789,-0.81691504638381,0.419502996617512,-0.507997132923062,0.671470152674471,35,-1.80295242167406,0.786958155827939,-0.756544622124611,0.454385374536206,0.121646615882685,0.504973301585841,39,-0.848655270581615,1.09194850234699,0.240897123671015,0.810896814111181,0.3821731,0.000148501444911132,0.000821011760625068,0.0714350671738505
m/z = 835.35302, mode = Positive, RT = 339.55225,-6.2209886495,0.162935835232062,39,-6.53406846540672,-5.90790883359327,-38.1806042890425,1.65720043923425e-32,1.1357007871151,0.236735428256428,39,0.680815683469483,1.59058589076072,4.79734189123958,2.36894714383507e-05,-0.771506158815103,0.325847193300191,35,-1.39991465114807,-0.143097666482136,-2.36769312327433,0.0235561320021918,0.747186053113712,0.45005752461512,35,-0.120766706098621,1.61513881232604,1.66020122372732,0.105808649937208,-0.855101310813734,0.322972688727646,39,-1.47569057397819,-0.234512047649273,-2.64759634686888,0.0116365708791482,-0.078504209499999,0.227188141410811,35,-0.516645032423616,0.359636613423618,-0.345547126766817,0.731751414557419,-0.672911419917164,0.314095562009344,35,-1.27865645203389,-0.0671663878004417,-2.14237799353926,0.0391978331858132,0.571898781289539,0.225124758905951,39,0.139323479644345,1.00447408293473,2.54036377015492,0.0151678660664878,0.08176683,4.87378283757958e-05,1.17554167123905e-06,0.0520001550387344
m/z = 1077.44925, mode = Positive, RT = 336.23627,-3.7516686881,0.29884783705564,39,-4.32590225480584,-3.17743512139416,-12.5537756105677,2.81872040835336e-15,1.74332659884928,0.433965896940741,39,0.909464833998745,2.57718836369983,4.01719722941118,0.000260122380466506,-0.900730603449284,0.560463433785802,35,-1.98160528543135,0.180144078532785,-1.60711751945182,0.117014009698552,0.95068710056914,0.775038911856846,35,-0.544004411628884,2.44537861276716,1.22663144524121,0.228149311073939,-1.2826077085241,0.592082355822531,39,-2.42028889878237,-0.144926518265826,-2.16626571609667,0.0364642817530864,-0.4275392317,0.39013646351569,35,-1.17993198475388,0.32485352135388,-1.09587098792883,0.280618830809617,-0.363925491771076,0.540797054416509,35,-1.40687282601712,0.679021842474965,-0.672942814312721,0.505402925378921,0.158771405502086,0.412739881740345,39,-0.634304752413622,0.951847563417794,0.384676675373883,0.70256675421074,0.3452294,0.000749170351407989,0.00115977623677957,0.0724582608857107
m/z = 661.26169, mode = Negative, RT = 160.60169,-5.7843390346,0.257652411403794,39,-6.27941594272972,-5.28926212647028,-22.4501645572987,6.54638248324373e-24,-0.438850098963793,0.373501890574921,39,-1.15653079195232,0.278830594024729,-1.17496085036754,0.247134389912407,-0.892213541936207,0.440381846176353,35,-1.74150639360592,-0.0429206902664944,-2.02599982193388,0.0504404786745351,1.06322375591057,0.609897181892616,35,-0.112985757111615,2.23943326893276,1.74328360169038,0.0900640289034095,-0.285947454749073,0.509675234686608,39,-1.26528406551142,0.693389156013275,-0.561038550215016,0.577980794079549,-0.300054835599999,0.305942836476876,35,-0.890077031781342,0.289967360581345,-0.980754571851783,0.333444904609463,0.245027524249538,0.4254854183049,35,-0.575537009446838,1.06559205794591,0.575877606395322,0.568382617176789,-0.212891483687133,0.3553873397231,39,-0.895765221914331,0.469982254540065,-0.599040708239656,0.552609803826652,0.4203998,0.00114452180139247,0.00857693902630498,0.0527147773673777
m/z = 903.64784, mode = Positive, RT = 340.35681,-5.4988684266,0.115614666569816,39,-5.72102102105071,-5.2767158321493,-47.5620316154214,3.75836336276515e-36,0.59932708451634,0.16798175451449,39,0.27655157780119,0.92210259123149,3.56781060091049,0.000972591593239234,-0.0760211270163399,0.231710423124718,35,-0.522883339266528,0.370841085233848,-0.328086781730236,0.744800767067731,-0.126173059961992,0.320022855137785,35,-0.743349098437047,0.491002978513062,-0.394262653233529,0.695779232709163,-0.0819225877954175,0.229173503110932,39,-0.522277516853719,0.358432341262884,-0.357469719157553,0.722667487402376,-0.119228229699999,0.161563226922108,35,-0.430808951995917,0.192352492595919,-0.737966379920602,0.465454351298173,-0.0100433222334858,0.223345910233722,35,-0.440774258710837,0.420687614243866,-0.0449675672277852,0.964388747329967,0.0548923560608955,0.159742867983667,39,-0.252052200546364,0.361836912668155,0.343629463736109,0.732970687447102,0.05335176,6.62206309343383e-06,0.120656024701692,0.856687352163635
m/z = 769.26046, mode = Positive, RT = 339.32294,-6.4836801996,0.176231033429745,39,-6.82230662530098,-6.14505377389902,-36.7907971338359,6.7742206629288e-32,1.35411274683238,0.2559373468808,39,0.86233132053673,1.84589417312803,5.29079778053276,4.98467909982231e-06,-0.858716010932381,0.333187968748373,35,-1.50128146311277,-0.216150558751988,-2.57727196500571,0.0143308580609921,0.518060132164109,0.460684137259635,35,-0.370386446752216,1.40650671108043,1.12454519325491,0.268435217645587,-0.832611687130122,0.349185040011677,39,-1.50356775943021,-0.161655614830037,-2.38444260699794,0.0220652087292274,-0.188231659499998,0.231975269455297,35,-0.635604637798572,0.259141318798575,-0.81142985604451,0.422602984558285,-0.00772446156773584,0.321457215351106,35,-0.627666717330061,0.612217794194589,-0.0240295168341421,0.98096554567736,0.00486257689774307,0.243412539861301,39,-0.462852539673302,0.472577693468788,0.0199766901923534,0.984163823390918,0.1935492,4.23563901450742e-06,0.0001444966576324,0.0190243121280196
m/z = 389.12403, mode = Negative, RT = 295.12598,-3.7539793758,0.0917009178719726,39,-3.9301819063541,-3.5777768452459,-40.9372061143497,1.16600296703139e-33,0.139407666759326,0.132865472301702,39,-0.115892203581237,0.394707537099889,1.04923923683325,0.300526808358621,-0.635879751259326,0.153329996129625,35,-0.931582380216667,-0.340177122301986,-4.14713211576524,0.000203545141362672,0.3307161774804,0.212418543323935,35,-0.0789409234502928,0.740373278411092,1.556908226115,0.12848960956946,-0.113248804751578,0.181315413013903,39,-0.461644822402298,0.235147212899143,-0.624595575572464,0.535873739412034,0.3892937313,0.106477628308206,35,0.183947645011306,0.594639817588695,3.65610821245159,0.000833406410522347,-0.090044930588015,0.148185534822503,35,-0.375826273616416,0.195736412440386,-0.607649934899997,0.547342394764397,0.102497144519524,0.126437751939079,39,-0.140451916037767,0.345446205076815,0.810653012629563,0.422484428536197,0.1572567,9.86028835952868e-05,0.000174230708523055,0.328955237039657
m/z = 319.13918, mode = Negative, RT = 160.59681,0.3307540059,0.181459300302739,39,-0.0179184899474051,0.679426501747404,1.82274485434576,0.0760152238828921,-0.621313105392785,0.262151381708941,39,-1.1250347465421,-0.117591464243469,-2.37005466590525,0.0228268972188657,-0.823223210007215,0.270862900501045,35,-1.34559243838349,-0.300853981630937,-3.03926159132316,0.00446680472872785,0.27562138835901,0.375787914919081,35,-0.449099652382608,1.00034242910063,0.733449313872587,0.468169085842457,-0.713487874420252,0.357849411156709,39,-1.40109246188074,-0.0258832869597619,-1.99382156900575,0.0531979780481987,-0.3955075188,0.18774759554872,35,-0.757585774754834,-0.0334292628451658,-2.10659165910525,0.0423926401667069,0.54783552625477,0.262121058549627,35,0.0423252668487825,1.05334578566076,2.09000959055356,0.0439493803150375,-0.312497568086963,0.249652280570146,39,-0.792202293141914,0.167207156967989,-1.25173127749241,0.218123569597436,0.3716172,1.08498696200906e-12,1.22853983045685e-06,0.00038105142934162
m/z = 675.96578, mode = Positive, RT = 339.81846,-7.4976347006,0.0819318711213955,39,-7.6550660912517,-7.3402033099483,-91.5106001850124,3.92292540168051e-47,0.684100957606152,0.119044248824454,39,0.455358450142205,0.912843465070099,5.74661072972074,1.16467821105288e-06,-0.505822674906152,0.166124038495655,35,-0.826199092803188,-0.185446257009116,-3.04484937572345,0.0044019199985139,0.134789502285195,0.229385592265987,35,-0.30758918675257,0.577168191322959,0.587611021920235,0.560565686088918,-0.330196434426285,0.162408994116432,39,-0.642263929628613,-0.0181289392239573,-2.0331166769592,0.0488869391829577,0.0625802996000012,0.115869163280903,35,-0.160877712935816,0.286038312135818,0.540094515469028,0.592552129051589,-0.123822263052013,0.16009625598887,35,-0.432573877068325,0.184929350964298,-0.773423852339315,0.444464173147071,0.10408574978377,0.11320514829865,39,-0.113436975886467,0.321608475454007,0.919443606126276,0.363515707900704,7.200152e-06,5.88522366629749e-08,1.8547409291423e-05,0.0745547852537841
m/z = 272.99411, mode = Positive, RT = 72.87083,-5.8421036922,0.227739350505189,39,-6.2797029092742,-5.4045044751258,-25.6525878344721,4.98367985151623e-26,-0.891939972943082,0.330897604773236,39,-1.5277568946094,-0.256123051276759,-2.69551655882891,0.0103178951648999,0.812139487043082,0.461761462139426,35,-0.0783847531739452,1.70266372726011,1.75878576631382,0.0873552817408136,-0.444839304734018,0.637604451704225,35,-1.6744833232759,0.784804713807865,-0.697672833909842,0.489990942957068,0.893613154440968,0.451435056102588,39,0.026184549449666,1.76104175943227,1.97949437546094,0.0548499451422991,0.249598370300001,0.322072077809864,35,-0.371529670697382,0.870726411297383,0.77497674432787,0.443557941439733,-0.53749705669739,0.445006525959421,35,-1.39570877619765,0.320714662802872,-1.20784084129679,0.235207022139155,-0.206510134297886,0.314667132515245,39,-0.81114034213067,0.398120073534897,-0.656281234862944,0.515496906802993,3.237477e-05,0.0582446474955719,0.0161363392869904,0.0195792214208789
m/z = 913.53796, mode = Positive, RT = 337.56664,-5.3634972214,0.165022078993665,39,-5.68058573687787,-5.04640870592213,-32.5016946466048,7.33678640410447e-30,0.743757363203421,0.239761606868171,39,0.283057483199267,1.20445724320758,3.10207031442012,0.00356473922244472,-0.167295417003421,0.328073504771538,35,-0.799997434227621,0.465406600220779,-0.5099327271793,0.613299371170868,0.127703825718777,0.45318543179139,35,-0.746281219403063,1.00168887084062,0.281791551008112,0.779762859268184,-0.402645171552081,0.327101912846044,39,-1.03116870359597,0.225878360491809,-1.23094716276267,0.225714797738444,-0.3577448406,0.228704142415322,35,-0.798809328128401,0.0833196469284014,-1.56422545224539,0.126762448160451,-0.0232789755612261,0.316272180135812,35,-0.633221697096064,0.586663745973611,-0.0736042466688968,0.94174434649542,0.045487289021387,0.228003718552264,39,-0.392619908997536,0.483594487040309,0.199502399830203,0.842906323876762,0.09870044,0.00162454795438697,0.00809538217493781,0.454441329413961
m/z = 697.5324, mode = Positive, RT = 335.97136,-6.4030401993,0.296135143018046,39,-6.97206134757934,-5.83401905102066,-21.6220207235242,2.54921694017424e-23,1.96424398036299,0.430112939585984,39,1.13778564016489,2.79070232056108,4.56680978315537,4.86118832944213e-05,-1.18498118176299,0.564363828389266,35,-2.27337792053322,-0.0965844429927567,-2.09967599295831,0.0430358780762987,0.964671573954526,0.780208629034763,35,-0.539989931063322,2.46933307897237,1.23642771696587,0.224532839672383,-1.24897232394498,0.586813869248359,39,-2.37653016224449,-0.121414485645466,-2.12839605434815,0.0396771655431241,-0.350455766099998,0.393002185652656,35,-1.1083751714147,0.407463639214708,-0.891739992534644,0.378622168362433,-0.0979945926117472,0.544427437169054,35,-1.1479432556985,0.951954070475008,-0.179995690741277,0.858194059139006,-0.0473401033907356,0.409054693242691,39,-0.833335203080156,0.738654996298685,-0.115730498079505,0.908459991866653,0.3073945,7.70480614732451e-05,0.00128365856055931,0.0355956330303848
m/z = 132.07757, mode = Positive, RT = 23.18143,-0.0906095607000007,0.199542651956833,39,-0.474029062316743,0.292809940916742,-0.454086180630707,0.652283901928894,1.22927424351879,0.289928751601981,39,0.672178623342085,1.78636986369549,4.23991838245265,0.000132776678700522,-2.95322353361879,0.404590188211853,35,-3.73349083502437,-2.17295623221321,-7.29929597816251,1.57639766031067e-08,0.951519581508815,0.558661833594654,35,-0.125880647161445,2.02891981017908,1.70321207623287,0.0973941045099247,0.0902169023818404,0.395542307823257,39,-0.669814264121539,0.85024806888522,0.22808407747409,0.820772525808039,-0.917711566300001,0.282195924219106,35,-1.461936954541,-0.373486178059,-3.25203692732096,0.00253825861603574,0.774801965124251,0.389909701993393,35,0.022846530142386,1.52675740010612,1.9871317927282,0.0547785356319629,-2.0972100509279,0.275707794750708,39,-2.62698022396357,-1.56743987789223,-7.60664040283728,3.19508081819332e-09,3.385781e-05,6.92349413400646e-13,3.27928988680588e-25,4.60208635701981e-16
m/z = 114.06447, mode = Positive, RT = 22.59731,-0.7660112017,0.0766704125470338,39,-0.913332744634556,-0.618689658765444,-9.99096230544067,2.62529811685682e-12,-0.120644388314275,0.110875144824795,39,-0.333690032208011,0.0924012555794597,-1.08811031097112,0.283225216811895,0.472117837614275,0.118815235704773,35,0.242978214285874,0.701257460942676,3.97354627808317,0.000337009807446727,-0.443742122158845,0.164768017329764,35,-0.761503402549867,-0.125980841767823,-2.6931326197289,0.0107909682732186,0.200258220273349,0.151334994540635,39,-0.0905306793173766,0.491047119864075,1.3232776786441,0.193448863197558,-0.2655033757,0.0824028725710647,35,-0.42442039564371,-0.10658635575629,-3.22201602220879,0.00275161425638146,0.283055695770977,0.114933468866393,35,0.0614022048894724,0.504709186652482,2.46277867154626,0.0188513111805698,-0.063264179077256,0.105562201964604,39,-0.266101048638307,0.139572690483796,-0.5993071184558,0.552433964400421,0.1496987,0.00134860895103709,0.00409560076182223,0.0517301579045499