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QC"]
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cation","[M+H]+","similar chromatogram in higher mz_659",1,true,"C5H14NO","","OEYIOHPDSNJKLS-UHFFFAOYSA-N","C[N+](C)(C)CCO",null,-1,-1,877.1523,984.1448,1000,"180709MR_Grainmark_Hilic_pos_234","104.10711:591486 105.11046:68270 106.11382:4117","42.0325:52 43.0175:98 43.0415:97 44.04907:423 44.11583:31 44.28781:12 44.33073:76 44.48335:17 44.89434:8 45.03319:2087 45.05705:395 45.09238:8 45.14836:7 45.15808:21 45.17756:14 45.28615:16 45.42186:20 56.04912:124 57.83302:30 58.06464:1076 58.09497:19 58.11243:8 58.20893:38 58.45378:19 58.73476:49 59.07239:223 60.08076:2842 60.11398:110 60.13255:9 60.16757:12 60.20276:7 60.22957:50 60.24852:42 60.27271:5 60.29157:9 60.31433:50 60.37834:58 60.54131:10 60.99906:71 62.82309:6 104.1076:812 104.16412:7 104.22793:17 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["COMPOUND_114_0662a1_27","HILIC_POS",null,97,1.27,114.0662,"Creatinine","Amino acid",1,"HMDB0000562","x","Creatinine","[M+H]+","adduct linked to 587_[2M+H]+; found in higher mz's MsMs_587; adduct linked to 239_[M+Na]+; similar chromatogram in higher mz_358; similar chromatogram in higher mz_751; similar chromatogram in higher mz_779; similar chromatogram in higher mz_1356",1,true,"C4H7N3O","","DDRJAANPRJIHGJ-UHFFFAOYSA-N","",null,-1,-1,920.7989,934.7081,1000,"180709MR_Grainmark_Hilic_pos_234","114.06598:845130 115.06933:85116 116.07269:5051","42.03281:156 43.02831:471 43.04911:9 43.0605:10 43.6506:8 43.81805:31 44.04915:5774 44.0852:62 44.15756:28 44.26094:50 44.29235:38 44.3535:49 44.41925:19 44.45547:18 44.47131:20 44.59885:36 45.15787:29 57.04383:118 72.04182:101 86.06774:82 97.95946:27 114.06607:647","kept","COMPOUND_114_0662a1_27",0.0781231847744456,0.369141206009642,0.997039611723942,null,-0.0484092519957889,0.577170447330215,0.868948879766591,-0.107935330421926,0.205227842238039,0.809794860830927,{"$f":"-LOG10(AO28)","v":0.09162498370474063},-0.0499320898845118,0.555896501703761,0.798664479799357,-0.186058515196372,-0.414317476151667,0.0422004457589228,0.114907729540716,0.949234766590222,-0.175244940214222,-0.651723769902271,0.301233889473828,0.473267689011162,0.940574012959263,0.078123184774446,-0.0808889798296245,0.237135349378516,0.339094247435474,0.984713238192108,-0.388485115135443,-0.421109852009928,-0.00152283788872353,-0.2315861500161,0.228540474238653,0.989688137835581,0.999514070660627,-0.175244940214228,-0.651111763640412,0.300621883211955,0.472696046864047,0.952462240907729,-0.0484092519957882,-0.208678382742077,0.1118598787505,0.55586877690912,0.859619751773825,-0.00314894753972257,-0.0965148377343965,-0.0269856342461991,0.756039574656717,0.995747712188334,0.0599786436913558,0.491189301428598,0.896798356463959,-0.0578779144829217,0.504908513148717,0.849502165904275,-0.171751737727577,0.0463880756611216,0.347525620166266,-0.0100173049128438,0.908198505660955,0.999675701925871,-0.102674771442368,0.237787814860104,0.839436532975986,-0.077179596261294,0.370025889212676,0.996797703277145,0.110899736555278,0.21451257240015,0.982216643115036,-0.115628195103456,0.186746711424658,0.999284470898712,-0.0729287169273171,0.397041965682235,0.91867057260298,0.0654054240301082,0.447643222245195,0.999579883545101,-0.0214296378174156,0.803702864595066,0.977688435059512,0.123212923910367,0.172773375466019,0.998611522381113,0.0237586006004673,0.782872065493569,0.956580660915447,0.115080308233357,0.180540693723905,0.835831374573791,-0.0269856342461991,0.756039574656717,0.995747712188334,0.0599786436913558,0.491189301428598,0.896798356463959,-0.0578779144829217,0.504908513148717,0.849502165904275,-0.171751737727577,0.0463880756611216,0.347525620166266,-0.0100173049128438,0.908198505660955,0.999675701925871,-0.102674771442368,0.237787814860104,0.839436532975986,-0.077179596261294,0.370025889212676,0.996797703277145,0.110899736555278,0.21451257240015,0.982216643115036,-0.115628195103456,0.186746711424658,0.999284470898712,-0.0729287169273171,0.397041965682235,0.91867057260298,0.0654054240301082,0.447643222245195,0.999579883545101,-0.0214296378174156,0.803702864595066,0.977688435059512,0.123212923910367,0.172773375466019,0.998611522381113,0.0237586006004673,0.782872065493569,0.956580660915447,0.115080308233357,0.180540693723905,0.835831374573791,-0.141922763000041,0.0444589447876941,0.159049295735361,-0.0187030443356072,0.792653800667082,0.918502027090375,-0.30988821237838,7.57984268509883e-06,8.38063827355524e-05,0.000792509602787148,0.991091253866153,0.994541919751548,-0.0153888460778145,0.828343416761213,0.933699797604162,0.0357270115216073,0.615491912994234,0.829456371465496,0.243227891908499,0.000455864873821458,3.58473101846079E-3,0.0368985019785393,0.610434060180182,0.899048431141078,0.235189530340602,0.000851870575486329,0.00607812011400122,0.140814967962473,0.0445475007958679,0.288384162867,0.22123208962166,1.47323062374941E-3,0.0229249901521945,0.0403847350096533,0.566306844090198,0.965807960343766,0.263648320542492,0.000246769176002939,0.0109055524514899,0.0548947403941195,0.435494415620834,0.720102888787854,0.382564639933245,1.63437452325665E-8,2.54818033254566e-06,{"$nulls":8},"COMPOUND_114_0662a1_27",97,1.27,114.0662,"Creatinine","[M+H]+","adduct linked to 587_[2M+H]+; found in higher mz's MsMs_587; adduct linked to 239_[M+Na]+; similar chromatogram in higher mz_358; similar chromatogram in higher mz_751; similar chromatogram in higher mz_779; similar chromatogram in higher mz_1356",1,true,"C4H7N3O","","DDRJAANPRJIHGJ-UHFFFAOYSA-N","",null,-1,-1,920.7989,934.7081,1000,"180709MR_Grainmark_Hilic_pos_234","114.06598:845130 115.06933:85116 116.07269:5051","42.03281:156 43.02831:471 43.04911:9 43.0605:10 43.6506:8 43.81805:31 44.04915:5774 44.0852:62 44.15756:28 44.26094:50 44.29235:38 44.3535:49 44.41925:19 44.45547:18 44.47131:20 44.59885:36 45.15787:29 57.04383:118 72.04182:101 86.06774:82 97.95946:27 114.06607:647",10936854,9717661,11038134,7651070,8720893,9003187,9664561,9650181,11396735,10552824,8845540,6040014,10466173,11352740,8778542,10340672,9439285,9528534,11072147,7555186,9173526,9936445,8727996,13685682,10298247,9372886,9615694,7710026,5921922,10323329,9021521,10828739,8531623,10861271,6548617,8815223,11231001,10554958,9234922,11243170,10029354,9080593,8247178,9081186,7984887,9856744,8882126,8088766,7941078,8778595,6852204,9147655,8148337,10441525,9561388,8484704,7168696,7660854,8489096,8018303,8603096,12491598,8344918,10577130,8370860,9109675,10356135,8486135,10610477,11000759,8531074,9466768,7989123,10634242,12703764,9345433,7908774,8412440,9125729,9361356,7402849,9117078,9450598,8568754,10337840,8045262,9906232,6906338,8578910,7767391,8428815,9012251,9584462,9245164,11552881,9898506,7654032,6752189,9073380,9837543,8487697,9624264,8402543,8752149,6766309,5001833,6502820,8150483,9545159,8049994,9541158,9050240,10648614,8977671,8402803,7996564,7269654,5674460,8185822,7934590,7137104,7232764,7489906,10293458,7534500,7064387,10561789,11951382,10310928,8245190,8330200,10285936,9239815,9724213,10262566,7541280,5527594,9348700,5182884,8196671,8759443,7668596,9154963,10230433,7205482,6785640,8853171,10202754,8269059,8571026,8751699,5951694,10141988,7714574,11995302,8366735,9434204,9066728,6896418,7542398,8262332,7132211,7577110,7883338,10901535,11269861,7370576,10328341,12535160,8383074,8618780,8633424,9609119,9231779,7743532,9618626,8440332,8854738,8308371,7678329,8257568,10807797,7416793,8215211,7088455,10585491,7673388,9882969,10409778,9770632,8143511,11608799,10856734,8796648,8936582,8090802,7859643,8517416,9618899,7242064,6981295,8587803,9359283,8130038,10970992,10545939,10491302,10169928,10240485,10165894,9978636,10005219,9970763,10038567,9810587,9461574,9276032,9102382,9114580,8852845,8791765,8766313,8572156,8732901,8442232,8587605,8680088,8805065,8819460,9145455,9214866,9285874,4805074,4969655,5134991,{"$f":"AVERAGE(QG28:RH28)","v":9429982.32142857}]
["COMPOUND_116_0706a4_92","HILIC_POS",null,105,4.92,116.0706,"L-Proline","Amino acid",1,"HMDB0000162","x","L-Proline","[M+H]+","adduct linked to 248_[M+Na]+; adduct linked to 347_[M+K]+",1,true,"C5H9NO2","","ONIBWKKTOPOVIA-UHFFFAOYNA-N","OC(=O)C1CCCN1",null,-1,-1,880.4297,906.3467,1000,"180709MR_Grainmark_Hilic_pos_234","116.07029:291281 117.07364:31304 118.077:92620","28.01732:121 41.03885:174 43.05444:274 68.04824:117 70.06539:3464 70.1112:69 70.13908:27 70.17067:40 70.18178:6 70.22002:37 70.24833:5 70.31001:8 70.42947:10 70.59295:22 71.52093:26","kept","COMPOUND_116_0706a4_92",0.207813747923471,0.0687393096307945,0.915904996444931,null,0.415075082974709,0.000441915020847414,0.027080548783316,0.254985984265065,0.0164733090446802,0.49672457698184,{"$f":"-LOG10(AO29)","v":0.3038843514130014},0.38571398012081,0.000413916297896857,0.0143657127683679,0.0471722363415929,-0.193679588661046,0.288024061344232,0.702308410694761,0.990739331293745,0.0632248043329581,-0.393099050502808,0.519548659168724,0.786699962234759,0.981961325877505,0.207813747923471,0.040029009562153,0.375598486284789,0.0179364827705207,0.547930618828486,0.0931514188212343,0.213468516795024,-0.0293611028538993,-0.359522011149177,0.300799805441378,0.862164063641244,0.993693246601567,0.0632248043329644,-0.418312957338169,0.544762566004098,0.797552084780575,0.984967653211575,0.415075082974709,0.185074909154763,0.645075256794655,0.00074585010086899,0.0455767026356897,-0.0424601873612054,-0.0219506255850176,-0.253241191738732,0.00304162546031555,0.355897217915386,-0.349988956796691,{"v":3.39303981343198e-05,"d":"3.39E-05"},0.0286027762953922,-0.0883624439729877,0.308142747301175,0.773261142439749,0.269538957262858,1.5703435846184E-3,0.0604203097087337,-0.250558132856842,3.37813292461939E-3,0.364144687039225,-0.0452782899832311,0.60341892482894,0.95034800061316,0.15709977117942,0.0667492219573443,0.918163896780941,-0.136616600802324,0.125631378678275,0.892615658369011,0.146475376168582,0.0937539365173695,0.999284470898712,0.00998319825454176,0.907824868713796,0.986944106668196,-0.0685762253426683,0.42588814408485,0.999579883545101,0.0375930288596865,0.662736856782616,0.963702296217792,0.0191902688277285,0.832458871513091,0.998611522381113,-0.130801556514895,0.127629075905197,0.505106354731673,-0.0492226874098648,0.567861177277759,0.958250899493527,-0.253241191738732,0.00304162546031555,0.355897217915386,-0.349988956796691,{"v":3.39303981343198e-05,"d":"3.39E-05"},0.0286027762953922,-0.0883624439729877,0.308142747301175,0.773261142439749,0.269538957262858,1.5703435846184E-3,0.0604203097087337,-0.250558132856842,3.37813292461939E-3,0.364144687039225,-0.0452782899832311,0.60341892482894,0.95034800061316,0.15709977117942,0.0667492219573443,0.918163896780941,-0.136616600802324,0.125631378678275,0.892615658369011,0.146475376168582,0.0937539365173695,0.999284470898712,0.00998319825454176,0.907824868713796,0.986944106668196,-0.0685762253426683,0.42588814408485,0.999579883545101,0.0375930288596865,0.662736856782616,0.963702296217792,0.0191902688277285,0.832458871513091,0.998611522381113,-0.130801556514895,0.127629075905197,0.505106354731673,-0.0492226874098648,0.567861177277759,0.958250899493527,-0.266539040612101,0.000130932692345711,0.00482196009755398,-0.213198778369447,2.43653283877822E-3,0.064198230933442,-0.398086851582605,4.84672382239063e-09,1.57494765777586E-7,0.284922492402152,4.13903853972013e-05,0.000328608525372675,-0.102650126870496,0.147038022003383,0.380749512070992,0.160939880908426,0.0228084126556779,0.171014471056966,0.315102450602023,4.42421834794877e-06,8.89149926490455e-05,-0.123025842132076,0.0882862052361824,0.464483535325915,0.32229418127056497,3.64734984856983e-06,7.57939879190264e-05,0.206845215078398,0.00299397546436286,0.103579817540116,0.0465649848076375,0.508385899358381,0.856760959064314,-0.00122055490078736,0.986176627597776,0.997228566185076,0.269339949413784,0.00017843181474827,0.00902919465623117,-0.06400071357857,0.363123848302692,0.65500625589076,0.333276202737162,1.11112272187764E-6,5.2238528534233e-05,1,1,null,null,1,{"$nulls":3},"COMPOUND_116_0706a4_92",105,4.92,116.0706,"L-Proline","[M+H]+","adduct linked to 248_[M+Na]+; 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["COMPOUND_117_0192a1_13","HILIC_NEG",null,229,1.13,117.0192,"Succinic acid","Dicarboxylic acid ",1,"HMDB0000254","x","w/o MS2:Succinic acid","[M-H]-","",0.9955357,false,"C4H6O4","","","",null,-1,-1,-1,-1,-1,"180718MR_Grainmark_Hilic_neg_170","117.01909:86824 118.02244:5580 119.0258:1391","","kept","COMPOUND_117_0192a1_13",0.0838528779376331,0.6928689137945,0.997039611723942,null,-0.332801928306692,0.115192772440303,0.447948216922189,0.168700035132516,0.322074266099633,0.869370064071906,{"$f":"-LOG10(AO30)","v":0.06079531840354154},-0.234673680284533,0.169935910776942,0.441170580405108,0.0841696982414149,-0.506774369594484,0.675113766077314,0.781010328294579,0.990739331293745,-0.0333277097110445,-0.511835088615024,0.445179669192935,0.891645536447344,0.986551500680899,0.0863295791674396,-0.32710340260403,0.499762560938909,0.683689425298333,0.99523549462833,0.0960355315678631,0.268473480888089,0.0913349426982654,-0.424369792059694,0.607039677456225,0.729622124058751,0.987091979038327,-0.0342918470615934,-0.50493219600935,0.436348501886163,0.886700464254534,0.987948797539425,-0.332801928306691,-0.690712448194775,0.0251085915813922,0.0730565489185019,0.360068299465241,0.0829791364646211,0.0544020344979159,0.00880588547085384,0.919260178666835,0.996704543755967,-0.0124880430489112,0.886123698901292,0.99362262532331,0.0287849507626796,0.740335148826349,0.934468243050665,0.0173356901814215,0.841821198641069,0.961801407296459,-1.38570598666783E-4,0.998727316370493,0.999675701925871,0.0415314530805926,0.633744624077644,0.958563379262871,-0.0749226644898768,0.384226090310603,0.996797703277145,0.122150163578113,0.171286808493763,0.94878948926836,-0.0597715048896033,0.495998180650835,0.999284470898712,-0.125781196447361,0.143039681998967,0.80698727827332,0.0059523420383828,0.944963652605341,0.999579883545101,0.350986302375967,{"v":2.60935832418303e-05,"d":"2.61E-05"},0.00498242227750406,0.055082923601061,0.543434920028568,0.998611522381113,0.0683584237832522,0.427362694614146,0.827850330249201,-0.0794570281523472,0.356028286292625,0.915928166510991,0.00880588547085384,0.919260178666835,0.996704543755967,-0.0124880430489112,0.886123698901292,0.99362262532331,0.0287849507626796,0.740335148826349,0.934468243050665,0.0173356901814215,0.841821198641069,0.961801407296459,-1.38570598666783E-4,0.998727316370493,0.999675701925871,0.0415314530805926,0.633744624077644,0.958563379262871,-0.0749226644898768,0.384226090310603,0.996797703277145,0.122150163578113,0.171286808493763,0.94878948926836,-0.0597715048896033,0.495998180650835,0.999284470898712,-0.125781196447361,0.143039681998967,0.80698727827332,0.0059523420383828,0.944963652605341,0.999579883545101,0.350986302375967,{"v":2.60935832418303e-05,"d":"2.61E-05"},0.00498242227750406,0.055082923601061,0.543434920028568,0.998611522381113,0.0683584237832522,0.427362694614146,0.827850330249201,-0.0794570281523472,0.356028286292625,0.915928166510991,-0.0264200199059352,0.71460833135972,0.854154098193939,-0.0678943418380758,0.348154890537855,0.643944167023968,0.0273872257280508,0.704638959995053,0.812176839125738,0.0622533206687689,0.388510541630348,0.567776979820894,-0.0372602131640964,0.605994090232232,0.816740198804246,0.124700810803462,0.0840068328477437,0.34101732697348,0.0970962573541352,0.174670776464752,0.350982896994496,0.100612619211627,0.171815731080033,0.603150476786549,0.101098747355458,0.164040869352606,0.344737647651335,0.0945335313276171,0.186381788983816,0.536566127199824,0.0588000962136437,0.411784639369682,0.801484454866731,0.03094133616514,0.666016135405931,0.974885625809674,0.0552698584362071,0.458656759081773,0.784247916733326,0.346026923355763,6.34094630790528e-07,1.09179566428842e-05,0.145627273077121,0.0411647506671095,0.186168715435245,{"$nulls":8},"COMPOUND_117_0192a1_13",229,1.13,117.0192,"w/o MS2:Succinic acid","[M-H]-","",0.9955357,false,"C4H6O4","","","",null,-1,-1,-1,-1,-1,"180718MR_Grainmark_Hilic_neg_170","117.01909:86824 118.02244:5580 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["COMPOUND_118_0863a3_82","HILIC_POS",null,115,3.82,118.0863,"Glycine betaine","Betaine",1,"HMDB0000043","x","Betaine","[M+H]+","adduct linked to 257_[M+Na]+; adduct linked to 351_[M+K]+; similar chromatogram in higher mz_375; found in higher mz's MsMs_617",1,true,"C5H11NO2","","","",null,-1,-1,805.8945,919.84,1000,"180709MR_Grainmark_Hilic_pos_234","118.08592:1110733 119.08927:97242 120.09263:8084","44.04779:212 44.07648:21 58.0662:575 58.1064:10 58.22207:20 58.64954:30 59.07303:798 59.10531:26 59.41604:19 59.78285:13 118.08475:193 118.11617:16","kept","COMPOUND_118_0863a3_82",0.159662266671879,0.126146502663764,0.967853201571866,null,0.105759212761387,0.308663983445252,0.68916589634846,-0.0621741504055039,0.539890711885495,0.926855979430317,{"$f":"-LOG10(AO31)","v":0.03298774395467971},0.107042947556148,0.292659644000176,0.590858543468979,-0.221836417077383,-0.485984567888577,0.0423117337338106,0.104515308072778,0.943129526477261,0.092910370280283,-0.382691931830245,0.568512672390811,0.70286063056001,0.974127426876757,0.159662266671879,-0.0243514038576941,0.343675937201453,0.0937273599027712,0.860552172846912,-0.399418284401096,-0.47237409540079,0.00128373479476123,-0.285170107825873,0.287737577415395,0.993018348736123,0.999514070660627,0.0929103702802845,-0.38478020563092,0.570600946191489,0.704071003245067,0.972971403527617,0.105759212761387,-0.0937932840327333,0.305311709555508,0.302713722372871,0.689820991959355,0.0021524937817751,0.0142628483103741,-0.114532444379096,0.185925392741308,0.838061643557007,-0.121868422644378,0.160692381762533,0.721700405625904,0.072713088415703,0.401972466354275,0.816893757492813,-0.0544348881523475,0.530619864975634,0.864500231847533,-0.152106462504464,0.0782137314901542,0.752836216001121,-0.11692435217655,0.178484286247053,0.802773848211865,-0.182040063450658,0.0332522757349153,0.804914983823667,-0.0875768762443847,0.327547515480501,0.997386352465513,-0.253530035512922,0.00335471786112523,0.68188002445752,0.160628292334516,0.0607825562966732,0.694702699466633,0.146943737643803,0.0866228955042745,0.999579883545101,-0.0322594544049191,0.708236943606501,0.965261766631265,-0.0351514669616698,0.69832265056119,0.998611522381113,-0.0472467334083706,0.583521528892479,0.901677535225384,0.0630495796596388,0.464203186133199,0.943914315426593,-0.114532444379096,0.185925392741308,0.838061643557007,-0.121868422644378,0.160692381762533,0.721700405625904,0.072713088415703,0.401972466354275,0.816893757492813,-0.0544348881523475,0.530619864975634,0.864500231847533,-0.152106462504464,0.0782137314901542,0.752836216001121,-0.11692435217655,0.178484286247053,0.802773848211865,-0.182040063450658,0.0332522757349153,0.804914983823667,-0.0875768762443847,0.327547515480501,0.997386352465513,-0.253530035512922,0.00335471786112523,0.68188002445752,0.160628292334516,0.0607825562966732,0.694702699466633,0.146943737643803,0.0866228955042745,0.999579883545101,-0.0322594544049191,0.708236943606501,0.965261766631265,-0.0351514669616698,0.69832265056119,0.998611522381113,-0.0472467334083706,0.583521528892479,0.901677535225384,0.0630495796596388,0.464203186133199,0.943914315426593,-0.198173068668877,0.00480103130636764,0.0375750136126459,-0.125105063587101,0.0775462474077729,0.301145518129998,-0.145819425860687,0.0388750585892772,0.100023666730436,-0.060402080866216,0.394333707227926,0.57388323714905,-0.136538931638386,0.0532655506975315,0.196342406198658,-0.105018082131088,0.13888225296095,0.426716360340797,-0.0281209450403502,0.689702839172358,0.834009507638373,-0.227003962986644,1.49990107168577E-3,0.0790117564345212,-0.0385112034893526,0.590114930360002,0.757438936319908,-0.0424701622766095,0.546415515290698,0.826774942778491,-0.0375411947147246,0.593972200391242,0.889397038258731,0.0848126034105864,0.227780074906084,0.875959004479507,-0.320576662323209,6.88449940570633e-06,1.13351835086887E-3,-0.0493541883676429,0.483293913093729,0.759272594771365,0.0858020121771975,0.222381870977586,0.501593952752433,{"$nulls":8},"COMPOUND_118_0863a3_82",115,3.82,118.0863,"Betaine","[M+H]+","adduct linked to 257_[M+Na]+; adduct linked to 351_[M+K]+; similar chromatogram in higher mz_375; found in higher mz's MsMs_617",1,true,"C5H11NO2","","","",null,-1,-1,805.8945,919.84,1000,"180709MR_Grainmark_Hilic_pos_234","118.08592:1110733 119.08927:97242 120.09263:8084","44.04779:212 44.07648:21 58.0662:575 58.1064:10 58.22207:20 58.64954:30 59.07303:798 59.10531:26 59.41604:19 59.78285:13 118.08475:193 118.11617:16",24847672,29585384,21659808,24862230,28272254,20545696,24266592,25226036,28629514,23306184,18708374,22247260,24888090,19897408,30743242,20007904,22919490,18739158,19134690,24508128,27960328,22603664,28241456,23174046,22679332,25864782,28213678,20039114,22429290,16511985,19084962,32948582,30272156,19724430,22760574,23596698,16808746,14385574,18705118,23063708,27373888,29415568,20916734,22213258,17073898,21112064,20562390,10267250,16158351,23349842,25312754,22788480,17991392,19231376,17310286,19524766,32543008,23138798,20699888,20058510,18216520,19007200,16267235,19907558,21622012,30345240,13812507,16138282,20648538,24414454,26210444,21440890,23278650,26820064,23961324,20981152,17417652,25297460,20897516,22707346,22890500,20148904,22385520,20514614,21354940,21369606,16003883,12841039,14969716,15022910,23396668,21669758,17258194,18683452,17093578,28181564,15773368,18515678,14831231,26479180,22510382,21868330,19008816,16282362,14253376,15083750,30240390,22005282,21043298,15116161,18730692,18068076,15858076,17200496,19239972,21386796,25213964,14235060,16370631,21309152,15982416,24238628,18230844,14652167,17095112,16952714,22109220,19113698,15804844,10917132,17957788,17297338,18609474,26431672,17401106,17961348,14721202,23384376,18444096,19997932,23047206,16223852,17018376,21416162,21913614,14849171,14907140,25682062,16445812,21765288,21370592,16563085,21720504,18131538,25837966,20095124,24462122,18505510,12417247,20696450,16641155,15026700,15730676,21540788,21741280,16076286,17798786,17351202,17757874,15566581,22610844,14523683,22816798,16892304,19834226,21683216,26363076,12496994,11619122,17084356,22162888,15462993,19191966,20376472,32577394,14440437,10792285,15941586,17805754,18506222,18329144,15963683,24109152,15051966,26015772,13271047,20651348,17234894,16986392,15013981,20421542,17696274,20716270,12840446,25848284,25216078,24988006,24676356,24686358,24528968,24038968,23892870,23867300,23913802,22581968,22177072,22017526,21319780,21163552,20825266,20142100,20060228,19607288,19259104,19090278,19389266,18940502,19097674,19036236,18845310,18978028,18636964,10339616,10651706,10981529,{"$f":"AVERAGE(QG31:RH31)","v":21672326.14285714}]
["COMPOUND_120_0626a5_81","HILIC_POS",null,134,5.81,120.0626,"L-Threonine","Amino acid",1,null,"x","L-Threonine","[M+H]+","adduct linked to 40_[M+H-H2O]+",1,true,"C4H9NO3","","AYFVYJQAPQTCCC-UHFFFAOYNA-N","CC(O)C(N)C(O)=O",null,-1,-1,809.6746,750.9386,750,"180709MR_Grainmark_Hilic_pos_233","120.05843:21102 121.06178:5215 122.06514:2165","56.04836:106 56.07877:5 74.02205:165 74.06039:284 74.08408:22 74.09888:18 74.27239:7 74.52106:31 94.31155:15 97.76342:23 102.05459:110","kept","COMPOUND_120_0626a5_81",0.401121835854289,0.0193870179098714,0.694684009321825,null,0.056190673374274,0.738293826220133,0.927976824803424,-0.179197072430363,0.292086984072117,0.862020162150739,{"$f":"-LOG10(AO32)","v":0.06448257616089519},0.0379895679604126,0.822534612427281,0.935411022549426,-0.580318908284651,-1.03198124031816,-0.128656576251145,0.0142263396747784,0.913126942819634,0.343236309731739,-0.123915046252318,0.810387665715796,0.152885138724696,0.832486575343729,0.401121835854289,0.0864800588734659,0.715763612835112,0.0149636393188897,0.524477159359033,-0.612237496551071,-0.585212792584947,-0.0182011054138612,-0.500974867625803,0.464572656798081,0.941319174078668,0.999514070660627,0.343236309731741,-0.153084791782876,0.839557411246358,0.178234933718985,0.877615169304995,0.0561906733742736,-0.280124276199192,0.392505622947739,0.744351933932587,0.93354255628552,-0.0180569134493889,-0.201751106462808,-0.0985068636379859,0.255676172250323,0.895142113231458,-0.143338237850463,0.0984818547840586,0.628331294863835,-0.0304117119405784,0.726228100144088,0.932996303143646,0.123982200748507,0.151948908237503,0.558330569835606,-0.0988263414188498,0.254130184384592,0.918417927303137,-0.0804990433573737,0.355166038780973,0.884646875530554,0.0409110589073884,0.63502723773389,0.996797703277145,-0.126525461479252,0.156344146556085,0.929327001667478,-0.0186795601357804,0.831647447824076,0.999284470898712,-0.0464268499467921,0.590077381487901,0.953615765973463,-0.00753204548830613,0.930390301079612,0.999579883545101,0.0980558679993304,0.254307991198685,0.775645109481456,0.0145895770843972,0.872230578444483,0.998611522381113,0.0133031405485272,0.877381566065565,0.977064099520019,-0.0123547032794694,0.886062283175553,0.986680140294093,-0.0985068636379859,0.255676172250323,0.895142113231458,-0.143338237850463,0.0984818547840586,0.628331294863835,-0.0304117119405784,0.726228100144088,0.932996303143646,0.123982200748507,0.151948908237503,0.558330569835606,-0.0988263414188498,0.254130184384592,0.918417927303137,-0.0804990433573737,0.355166038780973,0.884646875530554,0.0409110589073884,0.63502723773389,0.996797703277145,-0.126525461479252,0.156344146556085,0.929327001667478,-0.0186795601357804,0.831647447824076,0.999284470898712,-0.0464268499467921,0.590077381487901,0.953615765973463,-0.00753204548830613,0.930390301079612,0.999579883545101,0.0980558679993304,0.254307991198685,0.775645109481456,0.0145895770843972,0.872230578444483,0.998611522381113,0.0133031405485272,0.877381566065565,0.977064099520019,-0.0123547032794694,0.886062283175553,0.986680140294093,-0.207473406492892,0.00312341423010793,0.0284410891914636,-0.143528287779846,0.042602750212973,0.223960056432829,-0.0838403928063207,0.236684727196004,0.391055965073321,-0.135752986144723,0.0546646786658508,0.136899189601785,-0.170546311356695,0.0154952677782255,0.0864630724763104,0.0387519530643657,0.585887661855915,0.811502154292281,0.0588224238071012,0.403316030109326,0.602972928190059,-0.251755154215333,0.000412690052027031,0.0478471787058952,0.0540236710889115,0.449697425714549,0.647630726713392,0.161722037181194,0.0208388169527384,0.211547500122056,0.0635746853976307,0.366333420660501,0.765645371397833,0.136497476287072,0.0515688785903955,0.680547654296919,-0.00327992386553241,0.96427271740879,0.992753036050022,-0.0568441206503185,0.419343498881293,0.706257127562016,-0.130373708736157,0.0630828163794162,0.243622912022455,1,null,1,{"$nulls":5},"COMPOUND_120_0626a5_81",134,5.81,120.0626,"L-Threonine","[M+H]+","adduct 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["COMPOUND_146_0602a2_56","RP_POS",null,1323,2.56,146.0602,"Indole-3-carboxaldehyde","Tryptophan metabolite",2,"HMDB0029737","x","1H-Indole-4-carboxaldehyde","[M+H]+","found in higher mz's MsMs_2440; found in higher mz's MsMs_2188",1,true,"C9H7NO","","JFDDFGLNZWNJTK-UHFFFAOYSA-N","O=CC1=C2C=CNC2=CC=C1",null,-1,-1,781.2237,877.3231,1000,"180706MR_Grainmark_RP_pos_233","146.05966:3849 147.06301:1145 148.06637:560","60.93959:105 60.95824:8 61.29032:16 101.28529:23 105.4222:18 115.56984:6 118.06519:662 118.11176:9 118.31087:20 146.0576:549 146.11066:35","kept","COMPOUND_146_0602a2_56",0.300762624724108,0.145879304626182,0.980265176565946,null,0.532199470850997,0.0113324842378141,0.118303996870031,0.0192973367695075,0.909707904302094,0.989897192649144,{"$f":"-LOG10(AO41)","v":0.004409907406111437},0.0415983495730663,0.806904803261302,0.928773955534045,-0.281465287954601,-0.783064009081045,0.220133433171843,0.275411623210387,0.949234766590222,0.294461925149747,-0.146558245778449,0.735482096077943,0.193214673238362,0.868352589082782,0.300762624724109,-0.0486663662567565,0.650191615704974,0.0963263215514277,0.865856959420618,-0.272268105930594,-0.267071757480894,-0.490601121277931,-1.03211909445866,0.0509168519028016,0.0803962575817193,0.907520797385083,0.294461925149747,-0.201489286327555,0.79041313662705,0.246989384060804,0.911249666167919,0.532199470850997,0.154961509514874,0.90943743218712,0.00737131255195924,0.102226842901544,-0.432783248170112,-0.426734609392002,-0.0132320065327821,0.878935302589728,0.996704543755967,-0.0641916530203978,0.461200822063078,0.89125463127201,0.00836907630082337,0.923252660987021,0.980057351506505,0.0674540702695855,0.436956199799374,0.820776208773317,-0.0175621088080028,0.839782751804518,0.999675701925871,-0.13612853459937,0.116799810478905,0.755318182467622,-0.0726359976421462,0.398944616271331,0.996797703277145,-0.0109121463037711,0.903088004370813,0.997386352465513,-0.0594773492354417,0.498124678282883,0.999284470898712,0.0351201067924015,0.683692516855118,0.965598818263909,-0.0797130630847089,0.354475552872505,0.999579883545101,-0.157959315312003,0.0652535203065598,0.513400753575504,0.0878781316920892,0.331778389477602,0.998611522381113,-0.151379454119093,0.0774282093139432,0.391762438227416,0.107739657512958,0.210148599395173,0.852990486517268,-0.0132320065327821,0.878935302589728,0.996704543755967,-0.0641916530203978,0.461200822063078,0.89125463127201,0.00836907630082337,0.923252660987021,0.980057351506505,0.0674540702695855,0.436956199799374,0.820776208773317,-0.0175621088080028,0.839782751804518,0.999675701925871,-0.13612853459937,0.116799810478905,0.755318182467622,-0.0726359976421462,0.398944616271331,0.996797703277145,-0.0109121463037711,0.903088004370813,0.997386352465513,-0.0594773492354417,0.498124678282883,0.999284470898712,0.0351201067924015,0.683692516855118,0.965598818263909,-0.0797130630847089,0.354475552872505,0.999579883545101,-0.157959315312003,0.0652535203065598,0.513400753575504,0.0878781316920892,0.331778389477602,0.998611522381113,-0.151379454119093,0.0774282093139432,0.391762438227416,0.107739657512958,0.210148599395173,0.852990486517268,0.0549647650922831,0.438347901037142,0.6470564907972,0.0544429310955339,0.443865899973095,0.72756361780926,-0.10010010179496,0.157401104983602,0.289193992498974,0.146502206394324,0.0379602314241937,0.103939848868641,0.0942319302253927,0.183321064295339,0.434322850326591,0.0948397589213602,0.181600659247992,0.481769206871338,0.181434490579247,0.00940227903697442,0.0419432757308906,-0.106651677150928,0.139879133243922,0.563728105380636,0.19557806448251,0.00575681527168112,0.0284428420348458,0.0163352810107249,0.816618570220089,0.943383560873529,-0.0950108500118337,0.176456067573826,0.562713141548711,-0.112457284027821,0.109282709746483,0.791930991726728,0.103199920396788,0.157618018857042,0.509127504260019,-0.205751169733402,0.0031540615241739,0.0262008444157253,0.0729271430556713,0.299927713786549,0.591204524142442,null,1,null,null,1,{"$nulls":3},"COMPOUND_146_0602a2_56",1323,2.56,146.0602,"1H-Indole-4-carboxaldehyde","[M+H]+","found in higher mz's MsMs_2440; 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146.25917:21","kept","COMPOUND_146_1178a3_41",0.0523067548747378,0.70743562281296,0.997039611723942,null,-0.0555384502794827,0.690288618135977,0.91857609327319,-0.0277650852730969,0.842692487102263,0.98182996102021,{"$f":"-LOG10(AO42)","v":0.007963719325969032},0.0168011431935551,0.904405690095395,0.968077719948712,-0.0800718401478353,-0.499748504909463,0.339604824613792,0.709640457217176,0.990739331293745,0.194263888967843,-0.275823878825737,0.664351656761422,0.419949647751048,0.934672272489443,0.0523067548747382,-0.240052829249686,0.344666338999162,0.726958820280012,0.99523549462833,-0.0907051236792411,-0.0925359364233631,0.0723395934730374,-0.325100957011391,0.469780143957466,0.722424380801217,0.987091979038327,0.194263888967842,-0.285208003828786,0.67373578176447,0.429173381160494,0.943980439813725,-0.0555384502794824,-0.332407677973636,0.221330777414671,0.69546986317061,0.923710439009432,0.0867035387161366,-0.165450756317984,-0.057333655037532,0.508929209089688,0.994260802115272,-0.0972179151048379,0.263787087963077,0.793787483296996,-0.0297437914537478,0.732009422589175,0.934115724298445,0.123548223363432,0.15339904852704,0.558407056066187,-0.0533738236891736,0.538673900242726,0.984414957743183,-0.13139839411811,0.130186771029952,0.775682756171737,0.0249834851749344,0.771976848487558,0.996797703277145,-0.084096056457344,0.347212186507775,0.997386352465513,-0.0372963714092787,0.67114660753432,0.999284470898712,-0.0372106991390505,0.665960234206382,0.959751812352444,-0.0480082565993048,0.577462565166668,0.999579883545101,0.0778022285345051,0.366165882776989,0.863232016494065,-0.0266723783827724,0.768715633231057,0.998611522381113,0.0752923308840903,0.381877906836934,0.800875454960278,-0.014754262326534,0.864128473273566,0.985674947725652,-0.057333655037532,0.508929209089688,0.994260802115272,-0.0972179151048379,0.263787087963077,0.793787483296996,-0.0297437914537478,0.732009422589175,0.934115724298445,0.123548223363432,0.15339904852704,0.558407056066187,-0.0533738236891736,0.538673900242726,0.984414957743183,-0.13139839411811,0.130186771029952,0.775682756171737,0.0249834851749344,0.771976848487558,0.996797703277145,-0.084096056457344,0.347212186507775,0.997386352465513,-0.0372963714092787,0.67114660753432,0.999284470898712,-0.0372106991390505,0.665960234206382,0.959751812352444,-0.0480082565993048,0.577462565166668,0.999579883545101,0.0778022285345051,0.366165882776989,0.863232016494065,-0.0266723783827724,0.768715633231057,0.998611522381113,0.0752923308840903,0.381877906836934,0.800875454960278,-0.014754262326534,0.864128473273566,0.985674947725652,-0.0242865254411459,0.73218235397446,0.866051177942422,0.110296817037824,0.119992993562423,0.376804147003931,-0.410226674999791,1.4664458580597E-9,5.49212971360326e-08,0.139287953004335,0.0486033019622192,0.12561063887234,0.140611824081813,0.0464823903544075,0.180194015005478,0.0968186771868476,0.172615803156723,0.469347891355995,0.120155266829615,0.0869294212718738,0.217783497207578,-0.0856170308801088,0.23646123459481,0.682346995023846,0.135796455104744,0.056446458182074,0.160869979058026,-0.0433379410158889,0.538240872764188,0.820508182523678,-0.0269655787617404,0.701832101633725,0.932098410614679,0.167222369605038,0.0168211238576729,0.623145550377393,0.310583179752566,1.36423297113479e-05,1.61903502345257E-3,-0.0689938146117682,0.326818404276939,0.619321819016823,0.245399490361628,0.000403599857689852,0.00564461710130925,{"$nulls":8},"COMPOUND_146_1178a3_41",309,3.41,146.1178,"Acetylcholine 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["COMPOUND_147_1133a7_13","HILIC_POS",null,326,7.13,147.1133,"L-Lysine","Amino acid",1,"HMDB0000182","x","L-Lysine","[M+H]+","adduct linked to 219_[M+H-NH3]+; adduct linked to 208_[M+H-H2O]+",1,true,"C6H14N2O2","","KDXKERNSBIXSRK-UHFFFAOYNA-N","NCCCCC(N)C(O)=O",null,-1,-1,787.3105,884.4841,800,"180709MR_Grainmark_Hilic_pos_233","147.11293:40003 148.11628:7632 149.11964:698","56.12517:40 56.13605:14 57.03308:90 77.7632:32 84.08041:1570 84.11927:43 84.20846:34 84.26584:12 84.336:26 84.35514:30 84.48598:6 84.58588:28 84.94646:48 105.95492:116 129.10052:303 129.15088:5 130.05634:69 130.08589:869 130.13339:24 147.10855:77 147.12434:28","kept","COMPOUND_147_1133a7_13",0.542933716711013,0.0186431751357322,0.694684009321825,null,0.115619051193117,0.609400405247946,0.881841363542596,-0.198204451511948,0.370856241307983,0.887604538527833,{"$f":"-LOG10(AO43)","v":0.05178048578595694},-0.00745742107927986,0.973056136371111,0.990160343715677,-0.741138168222961,-1.36334694669571,-0.118929389750207,0.0226169601416817,0.913126942819634,0.497026915843961,0.033702061277992,0.960351770409929,0.0374244123375708,0.812186603348285,0.542933716711012,0.109484075625576,0.976383357796449,0.0167304587783879,0.536831101307369,-0.566207568348941,-0.503681328017615,-0.123076472272396,-0.743779433262501,0.497626488717708,0.698798790452982,0.987091979038327,0.497026915843961,3.59072735968957E-3,0.990463104328233,0.0505349671729071,0.830664806147494,0.115619051193116,-0.316781591437177,0.548019693823409,0.601983886726601,0.8833892043539,-0.0943668983397037,-0.238416111289582,-0.0687098261735657,0.428448857894349,0.97442350442365,-0.115564794356376,0.183621764896917,0.742671624998165,-0.0265621559713671,0.759750493910046,0.939859525737546,0.134002016791683,0.121266003084952,0.51580077024487,-0.0670911360469665,0.439432757999463,0.963241544622394,-0.0847735270672468,0.330113492469906,0.881256881198623,0.0499639691722097,0.562037921251169,0.996797703277145,-0.117201242438094,0.189432683550217,0.959360641391849,-0.00666424065762159,0.939547271040974,0.999284470898712,-0.0146058326757783,0.865482411257006,0.982860770829343,-0.0139861240693432,0.871139412310626,0.999579883545101,0.123146282556795,0.151673244635368,0.654522896156256,-0.0196684842979684,0.828347236638027,0.998611522381113,0.0368343533327686,0.669139132811049,0.930074578222222,{"v":7.67312604158484e-06,"d":"7.67E-06"},0.999928997271914,0.999928997271914,-0.0687098261735657,0.428448857894349,0.97442350442365,-0.115564794356376,0.183621764896917,0.742671624998165,-0.0265621559713671,0.759750493910046,0.939859525737546,0.134002016791683,0.121266003084952,0.51580077024487,-0.0670911360469665,0.439432757999463,0.963241544622394,-0.0847735270672468,0.330113492469906,0.881256881198623,0.0499639691722097,0.562037921251169,0.996797703277145,-0.117201242438094,0.189432683550217,0.959360641391849,-0.00666424065762159,0.939547271040974,0.999284470898712,-0.0146058326757783,0.865482411257006,0.982860770829343,-0.0139861240693432,0.871139412310626,0.999579883545101,0.123146282556795,0.151673244635368,0.654522896156256,-0.0196684842979684,0.828347236638027,0.998611522381113,0.0368343533327686,0.669139132811049,0.930074578222222,{"v":7.67312604158484e-06,"d":"7.67E-06"},0.999928997271914,0.999928997271914,0.0306743375663361,0.665542814183216,0.824034986032974,0.031861222873781,0.654243281181201,0.857958201968384,-0.183813304722714,0.00900025192854527,0.031451064857315,0.246856689788066,4.1117894671295E-4,0.00238052859193026,0.103899589397737,0.142153268820106,0.374186176642839,0.184253988477441,0.0090063662075776,0.106015762022906,0.183426476145808,0.00863759573221295,0.0393259767231041,-0.0782254457520789,0.279545464531913,0.714657494941014,0.196642175189725,0.00549233210630372,0.0274368270781366,0.136106318392034,0.0522480847972285,0.303939689056268,-0.0490463087321002,0.486030463632013,0.844161085854495,0.115948542902989,0.0986416159697412,0.773927384034482,0.0738311201504317,0.312660488823921,0.681112842725524,-0.00489603410449616,0.944591578236294,0.983461217548043,0.0377360856501763,0.592056616842325,0.829431707504698,1,null,1,{"$nulls":5},"COMPOUND_147_1133a7_13",326,7.13,147.1133,"L-Lysine","[M+H]+","adduct linked to 219_[M+H-NH3]+; adduct linked to 208_[M+H-H2O]+",1,true,"C6H14N2O2","","KDXKERNSBIXSRK-UHFFFAOYNA-N","NCCCCC(N)C(O)=O",null,-1,-1,787.3105,884.4841,800,"180709MR_Grainmark_Hilic_pos_233","147.11293:40003 148.11628:7632 149.11964:698","56.12517:40 56.13605:14 57.03308:90 77.7632:32 84.08041:1570 84.11927:43 84.20846:34 84.26584:12 84.336:26 84.35514:30 84.48598:6 84.58588:28 84.94646:48 105.95492:116 129.10052:303 129.15088:5 130.05634:69 130.08589:869 130.13339:24 147.10855:77 147.12434:28",610348,340314,338581,718054,163771,386815,404772,587552,536972,684358,855988,965248,339710,342798,248741,526807,532819,477224,583260,580330,561391,684866,719387,802497,518458,617485,335441,313191,371973,318534,468889,459468,744039,513962,735176,581543,637174,567704,339577,314872,399694,389478,402596,524624,517369,632894,800253,864629,816378,656081,393776,345452,581491,494773,573331,738874,724881,663544,626171,838384,830412,597696,366734,645161,687799,652229,632825,468278,899525,631573,507385,608726,460682,644473,556804,578141,513372,594301,641882,710039,506406,697325,685557,548276,643883,519283,589853,543569,582765,532941,519158,632787,439162,431540,604038,315079,342908,377272,329771,380436,477037,451892,619738,495770,432074,446844,380364,349808,336151,391483,277313,368306,372654,346721,451678,568966,282998,294335,324212,198899,360324,299972,406812,428230,285530,448925,416155,512649,308973,316478,350729,307852,371455,362153,371842,406082,645342,660407,618504,546392,450137,555199,420036,327610,851713,644211,585431,745919,650264,627763,460717,559867,633260,562939,4849235,676833,630847,833278,981199,990360,798109,524051,574862,359038,383704,543602,540893,728764,641741,784120,585732,966604,696143,807773,494153,443541,498618,333409,205789,437087,598671,794174,894228,780527,841241,930331,813746,503555,375008,539532,506263,676728,542580,978793,644321,895522,1014028,977410,716278,894620,834923,775273,665065,706687,424098,426565,426754,421726,437566,415823,408066,426628,422235,423248,459856,470197,520752,524033,531561,519198,504048,464552,475287,428613,423314,480717,448190,461451,467998,504174,523558,489170,294650,312290,266186,{"$f":"AVERAGE(QG43:RH43)","v":461763.5}]
["COMPOUND_153_0193a0_51","HILIC_NEG",null,515,0.51,153.0193,"Dihydroxybenzoic acid (DHBA)","Phenolic acid",2,null,"x","w/o MS2:protocatechuic acid","[M-H]-","adduct linked to 969_[M+Cl]-; adduct linked to 1334_[3M-H]-; similar chromatogram in higher mz_2472; similar chromatogram in higher mz_2410; similar chromatogram in higher mz_2383; similar chromatogram in higher mz_2576",0.9910714,false,"C7H6O4","","","",null,-1,-1,-1,-1,-1,"180718MR_Grainmark_Hilic_neg_058","153.01903:31989 154.02238:3722 155.02574:696","","kept","COMPOUND_153_0193a0_51",0.675987866606654,7.18746571345484e-07,0.000476457102144922,null,1.31501900736424,3.69658713481324e-16,3.06308451458462e-13,0.33487795007738,0.00797402413578422,0.445264202379391,{"$f":"-LOG10(AO44)","v":0.35138221916032975},0.754421593049919,5.66647159558179e-08,1.39122371137451E-5,-0.343836907649513,-0.727058593783548,0.0393847784845219,0.0835512411581418,0.928230934396853,-0.43979964979133,-0.855740283833849,-0.0238590157488101,0.0408807807853068,0.812186603348285,0.677408757380159,0.408980055051987,0.94583745970833,5.95838259476592E-6,0.00394981182207033,-0.391371882516998,-0.214550593874368,-0.557039654178581,-0.900667997268604,-0.213411311088559,0.00228930772226537,0.704974594162345,-0.4289862669186,-0.814774521758055,-0.0431980120791441,0.0317696076833483,0.82929255197784,1.31501900736424,1.07693473514744,1.55310327958103,4.79673869846951e-16,7.9493952080386e-13,-0.774905317395733,-0.918826496426963,-0.152509947661382,0.0774171825944082,0.728101602944217,-0.196282959818419,0.0230255263407761,0.36393074981274,0.13752442984412,0.111700052106926,0.610301242705448,-0.116742189554165,0.177522072454164,0.586636998154862,-0.216553714298843,0.0116444638856766,0.474144182388421,-0.208336665361449,0.0157073288318707,0.547871553147978,0.0956253498717669,0.266327366989202,0.996797703277145,0.0157385615914215,0.860591088776563,0.997386352465513,0.0848750459602228,0.33323786782227,0.999284470898712,0.0209923396448492,0.807630068587219,0.979489225441379,0.00486896187563996,0.954969071440189,0.999579883545101,0.172680254323987,0.043608368156601,0.454402386947737,0.102776173501362,0.256003837693312,0.998611522381113,-0.149370100417908,0.0814909397556904,0.40366100757005,-0.033675462993635,0.696048214602207,0.963728595139379,-0.152509947661382,0.0774171825944082,0.728101602944217,-0.196282959818419,0.0230255263407761,0.36393074981274,0.13752442984412,0.111700052106926,0.610301242705448,-0.116742189554165,0.177522072454164,0.586636998154862,-0.216553714298843,0.0116444638856766,0.474144182388421,-0.208336665361449,0.0157073288318707,0.547871553147978,0.0956253498717669,0.266327366989202,0.996797703277145,0.0157385615914215,0.860591088776563,0.997386352465513,0.0848750459602228,0.33323786782227,0.999284470898712,0.0209923396448492,0.807630068587219,0.979489225441379,0.00486896187563996,0.954969071440189,0.999579883545101,0.172680254323987,0.043608368156601,0.454402386947737,0.102776173501362,0.256003837693312,0.998611522381113,-0.149370100417908,0.0814909397556904,0.40366100757005,-0.033675462993635,0.696048214602207,0.963728595139379,-0.210775792477786,0.00317765022311013,0.0288162015444556,-0.212538279552996,0.00300256928846032,0.068872082398628,-0.0952408937811077,0.186506638305522,0.328642345913691,0.0587032235578252,0.416184369738404,0.593691884440688,-0.170896586274034,0.0171962370385518,0.0926843387180532,-0.100320364769749,0.165092602424715,0.460584083780701,0.208834128266055,3.22938988119149E-3,0.0179143309811032,0.0810970276136525,0.271169416237513,0.705801149558426,0.195530055923586,0.0067129904970372,0.032107080811587,0.106046677838901,0.138034737903289,0.465638089120131,0.1309099744632,0.0667111602943021,0.340437476205488,0.0271147494711575,0.705266192946568,0.97889648095536,0.0686038599513891,0.357455373881365,0.716521522338539,0.097169273789449,0.174345286025421,0.4295379872137,0.129434795896705,0.0698663725726125,0.257016750157518,1,1,null,1,1,1,null,1,"COMPOUND_153_0193a0_51",515,0.51,153.0193,"w/o MS2:protocatechuic acid","[M-H]-","adduct linked to 969_[M+Cl]-; adduct linked to 1334_[3M-H]-; similar chromatogram in higher mz_2472; similar chromatogram in higher mz_2410; similar chromatogram in higher mz_2383; similar chromatogram in higher mz_2576",0.9910714,false,"C7H6O4","","","",null,-1,-1,-1,-1,-1,"180718MR_Grainmark_Hilic_neg_058","153.01903:31989 154.02238:3722 155.02574:696","",58425,63134,28530,8312,51614,32947,47159,35501,73037,56531,56231,34767,28195,35741,89220,33850,25669,17258,23906,20217,23924,29640,21082,31856,24809,49458,55430,19652,30614,10000,21877,24077,28606,43139,41549,21028,30348,15858,22960,85341,36103,23426,60027,7317,106596,14042,23776,10598,32717,60155,38963,40152,19351,92661,4803,35533,26821,20383,7914,7314,17777,13838,9362,33845,30703,53655,31599,13719,14346,53091,17383,42879,15553,14343,18853,18697,17097,20345,34625,10809,26652,16052,31330,10968,35585,33769,28079,30494,21104,15958,20498,52907,51688,12497,21441,23291,10471,16420,40825,30137,19580,35699,61711,44960,23037,41937,24977,11387,42104,39707,32784,9279,64352,9990,24928,26287,23027,35071,24135,27393,31370,45827,41512,9281,33275,35557,33535,45592,34673,43440,14117,12520,13862,45244,11210,32179,18997,31446,18880,40167,41840,97017,32337,26156,22558,17084,44185,95845,7633,35116,31941,12187,18968,21608,48316,63171,13467,21057,18684,14566,8020,6698,7062,53612,15676,72097,29057,10396,27044,29033,8181,18314,21183,26884,11072,32909,24468,13157,12078,10325,44787,18630,17151,12640,17513,46986,12206,14525,13742,15557,29666,10696,28572,20951,22364,53919,11562,{"$nulls":7},24141,28326,29522,28416,32274,31264,30331,30810,31063,32625,33704,32771,33542,32112,31563,31030,32109,26902,28857,29451,27834,26268,27923,28315,25573,25500,23869,{"$nulls":4},{"$f":"AVERAGE(QG44:RH44)","v":29485}]
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156.0755:40","kept","COMPOUND_156_0774a6_81",0.564014843530655,0.00651750574407625,0.533389451573845,null,0.242110229984827,0.232395607799138,0.613236076260068,-1.10876901615038E-3,0.995580823511534,0.999897427194304,{"$f":"-LOG10(AO45)","v":4.4549088308672119E-5},0.255389830874962,0.204905374869562,0.488361709203141,-0.565123612546805,-1.10142598157691,-0.0288212435166989,0.0428264314533001,0.913126942819634,0.286739574893103,-0.185028847533986,0.758507997320193,0.235955844317877,0.887947482513166,0.564014843530654,0.190410231361802,0.937619455699507,0.00428339702915417,0.335885482407247,-0.500897428210878,-0.528940815912096,0.013279600890135,-0.558544251057325,0.585103452837595,0.963832898286886,0.999514070660627,0.286739574893104,-0.189452054985139,0.762931204771346,0.240209749292894,0.910693647964482,0.242110229984827,-0.156239732224155,0.640460192193808,0.237828786162376,0.623580453519743,0.0110391390474742,-0.191329228140958,-0.031610971998296,0.715886449235221,0.995747712188334,-0.0974737620521576,0.262526410721488,0.793787483296996,0.00726734581338705,0.933330867266314,0.982907950416855,0.15844674482487,0.0664348391824494,0.408531121466101,-0.0375746558642215,0.665253665854905,0.998498538477359,-0.128603949097298,0.138631077867434,0.782444422543462,0.0278728078044635,0.746455602330805,0.996797703277145,-0.175973417521328,0.0478178776161748,0.648230492265077,-0.0328750267125328,0.708245072328881,0.999284470898712,0.00521433602785441,0.951778575860066,0.990965129712585,-0.0383523231383392,0.656353662793821,0.999579883545101,0.126694864217934,0.140134692861291,0.637495426588392,-0.025656915130238,0.777286945069254,0.998611522381113,0.0394966158565183,0.646780691817416,0.921450506352386,0.0448288791838447,0.602950324233703,0.963728595139379,-0.031610971998296,0.715886449235221,0.995747712188334,-0.0974737620521576,0.262526410721488,0.793787483296996,0.00726734581338705,0.933330867266314,0.982907950416855,0.15844674482487,0.0664348391824494,0.408531121466101,-0.0375746558642215,0.665253665854905,0.998498538477359,-0.128603949097298,0.138631077867434,0.782444422543462,0.0278728078044635,0.746455602330805,0.996797703277145,-0.175973417521328,0.0478178776161748,0.648230492265077,-0.0328750267125328,0.708245072328881,0.999284470898712,0.00521433602785441,0.951778575860066,0.990965129712585,-0.0383523231383392,0.656353662793821,0.999579883545101,0.126694864217934,0.140134692861291,0.637495426588392,-0.025656915130238,0.777286945069254,0.998611522381113,0.0394966158565183,0.646780691817416,0.921450506352386,0.0448288791838447,0.602950324233703,0.963728595139379,0.0172796637672903,0.807639927494732,0.908459651700929,0.0573231967225716,0.420096223291578,0.70770466688688,-0.247608132299432,0.000394248852004495,0.00243794369397183,0.206012914814062,0.00334559447070379,0.0138785642968057,0.116301656730478,0.100142916388643,0.300621686082632,0.159601522551823,0.0239800399534406,0.175491686484427,0.247325294293952,0.000361956218114076,2.96956407163145E-3,-0.276334819490303,1.00224389013833E-4,0.0358816211692374,0.262644818783307,1.853551951348E-4,0.00172815694591925,0.0515318904069778,0.464176852087361,0.777144970942287,-0.135969721359989,0.0524870141135651,0.298158927616557,0.0992940916966911,0.157660727731122,0.837270140006205,0.0760575352763867,0.298252033316377,0.666921275645108,-0.0848560831586344,0.227540920035753,0.502622045623795,0.109775815941146,0.11805137348733,0.349525658107733,1,null,1,null,null,1,null,null,"COMPOUND_156_0774a6_81",353,6.81,156.0774,"L-Histidine","[M+H]+","adduct 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["COMPOUND_158_1179a3_19","HILIC_POS",null,356,3.19,158.1179,"Pipecolic acid betaine","Betaine",1,"HMDB0033433","x","w/o MS2:Tropinone","[M+H]+","",0.893617,false,"C8H13NO","","QQXLDOJGLXJCSE-UHFFFAOYNA-N","CN1C2CCC1CC(=O)C2",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_168","158.11801:38970 159.12136:4519 160.12472:271","","kept","COMPOUND_158_1179a3_19",0.284254958602964,0.025320207774078,0.764336900579215,null,0.298429628902171,0.0190939887176497,0.158950932779284,1.31639793902621,1.72101386486652e-13,1.90143348503336e-10,{"$f":"-LOG10(AO46)","v":9.720918862252518},1.76729790551496,8.382924313673e-19,7.93862932504833e-16,1.03214298042325,0.638252706138213,1.42603325470828,{"v":2.68705980351041e-06,"d":"2.69E-06"},0.00725314273548955,0.000293148073549094,-0.357865863409921,0.358452159557019,0.998722831768358,0.999778564148662,0.284254958602964,0.00985896175611334,0.558650955449814,0.0463504818882103,0.77394797087392,1.24713984050527,1.25148966708823,1.46886827661279,1.05636857559837,1.88136797762721,1.76360418095074e-09,5.84546605776124e-06,2.9314807354933E-4,-0.381438775343631,0.382025071490729,0.998801738544938,0.999812696976712,0.298429628902171,0.0110697369517247,0.585789520852618,0.0458224841547266,0.280736827598598,1.69723848673442,2.12495718227768,-0.292410434442258,0.00057861825380995,0.294882642062785,-0.294780503488186,0.000545173766076834,0.0981728441377013,-0.146202493495869,0.0906406998297901,0.573555498421678,0.042876766602642,0.62146324627395,0.904231751437668,-0.274106412619829,0.00129511534852085,0.330500156017342,-0.066741250861867,0.44355575788414,0.916734449975731,-0.0303778830653355,0.724547706682797,0.996797703277145,-0.0249907508053774,0.780328917841293,0.997386352465513,-0.0538011710353678,0.540079194710857,0.999284470898712,0.0575159248951257,0.504394540647191,0.93535553413228,-0.0827748273300896,0.336236132333005,0.999579883545101,-0.119698234960535,0.16355653827942,0.67683817970396,0.105178489399557,0.244998256039751,0.998611522381113,-0.151893087685511,0.0764163122140053,0.389913972939369,-0.0720152516427321,0.402997327052912,0.932391533564555,-0.292410434442258,0.00057861825380995,0.294882642062785,-0.294780503488186,0.000545173766076834,0.0981728441377013,-0.146202493495869,0.0906406998297901,0.573555498421678,0.042876766602642,0.62146324627395,0.904231751437668,-0.274106412619829,0.00129511534852085,0.330500156017342,-0.066741250861867,0.44355575788414,0.916734449975731,-0.0303778830653355,0.724547706682797,0.996797703277145,-0.0249907508053774,0.780328917841293,0.997386352465513,-0.0538011710353678,0.540079194710857,0.999284470898712,0.0575159248951257,0.504394540647191,0.93535553413228,-0.0827748273300896,0.336236132333005,0.999579883545101,-0.119698234960535,0.16355653827942,0.67683817970396,0.105178489399557,0.244998256039751,0.998611522381113,-0.151893087685511,0.0764163122140053,0.389913972939369,-0.0720152516427321,0.402997327052912,0.932391533564555,0.00614635595558518,0.930991865017991,0.969301880509543,0.0110828990883053,0.876223606521353,0.95612943006256,0.120528441840431,0.0883162611327017,0.18710402526324,-0.165568276218303,0.0188274070394381,0.0591221607126648,-0.0422865663518621,0.551146366120086,0.782195961627028,-0.146854211116066,0.037979281412294,0.2235575571336,-0.292280908685949,2.21581229572553e-05,0.000310541642882972,-0.167607329623547,0.0198137895273818,0.245802544581765,-0.297415384269208,2.08864009184435E-5,0.00030230557137197,-0.0563547669248139,0.423364659376868,0.755714602737626,-0.120328597201095,0.086471847161319,0.397794500230662,-0.0948076681331468,0.177387150568249,0.863362276884671,0.0984547150134503,0.177714277271252,0.538176310658351,-0.134172950879794,0.055715117238419,0.202708843124852,-0.00516679969209799,0.941532630747214,0.980057412324557,1,1,1,1,null,null,1,1,"COMPOUND_158_1179a3_19",356,3.19,158.1179,"w/o 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162.58107:23","kept","COMPOUND_162_1129a4_91",0.0691359098190759,0.604077751496881,0.997039611723942,null,0.0416362676634025,0.7546714205985,0.933342695363331,-0.0775765320122628,0.543615242269638,0.927215143092228,{"$f":"-LOG10(AO48)","v":0.0328194841759426},0.00774697158498805,0.951567008862253,0.983199771321848,-0.146712441831339,-0.489563338155213,0.196138454492534,0.40466174443449,0.957450845773716,0.303181250945319,-0.171975630524114,0.778338132414752,0.214504580608348,0.88043524356803,0.0691359098190766,-0.169704497290208,0.307976316928361,0.572407466992638,0.99523549462833,-0.203442837709538,-0.21052836233557,-0.0338892960784153,-0.427255890414686,0.359477298257856,0.866427359384078,0.993693246601567,0.303181250945322,-0.19469366841246,0.801056170303105,0.235815768426208,0.910693647964482,0.0416362676634035,-0.2323949177348,0.315667453061607,0.766793741664938,0.939502033585327,-0.040971590998412,-0.0729783992850816,-0.00099122170445666,0.990896444726192,0.999722820429701,-0.0504899633366223,0.562347868708029,0.926385113467091,-0.0156110608708764,0.857381497250016,0.964134766500459,0.173620853351862,0.0440247612690718,0.33856165017712,0.00427413630040495,0.960760386627406,0.999675701925871,-0.0530371197731623,0.542772516113348,0.942561762109303,0.0287609407092829,0.738664266692993,0.996797703277145,-0.154407054816555,0.0830450312528611,0.810688969181692,-0.0190355654812675,0.828487739574876,0.999284470898712,-0.0270153387580139,0.754002338514437,0.9738680528304,0.0156961269124753,0.855546372363599,0.999579883545101,0.142353322499056,0.0970355740502247,0.572858288360115,-0.0634024253093305,0.484193713849191,0.998611522381113,0.0400662650356428,0.64203643692761,0.920610115030497,0.0611940306779151,0.477480243189816,0.943914315426593,-0.00099122170445666,0.990896444726192,0.999722820429701,-0.0504899633366223,0.562347868708029,0.926385113467091,-0.0156110608708764,0.857381497250016,0.964134766500459,0.173620853351862,0.0440247612690718,0.33856165017712,0.00427413630040495,0.960760386627406,0.999675701925871,-0.0530371197731623,0.542772516113348,0.942561762109303,0.0287609407092829,0.738664266692993,0.996797703277145,-0.154407054816555,0.0830450312528611,0.810688969181692,-0.0190355654812675,0.828487739574876,0.999284470898712,-0.0270153387580139,0.754002338514437,0.9738680528304,0.0156961269124753,0.855546372363599,0.999579883545101,0.142353322499056,0.0970355740502247,0.572858288360115,-0.0634024253093305,0.484193713849191,0.998611522381113,0.0400662650356428,0.64203643692761,0.920610115030497,0.0611940306779151,0.477480243189816,0.943914315426593,0.19088339921726,0.00664029627807526,0.0457097861135627,0.207153394152303,0.00324815585446396,0.0708092286249212,-0.250230963818205,0.000340090834860452,0.00215738004238271,0.343259927383331,6.08166128364213e-07,7.59234136520973e-06,0.288191805233342,3.34360351998631e-05,1.21784328208732E-3,0.161864553795411,0.0220280637740876,0.168041053368165,0.156022954231676,0.0258521851760564,0.0896308240230532,-0.033433345541069,0.644380585057213,0.915485060265559,0.168761339313705,0.0174673612766359,0.0670475610323216,-0.0254254929520424,0.718117709396194,0.903824255673115,-0.0287448405714073,0.683185578317322,0.925010566229155,0.131030206755826,0.0617554215629694,0.706013989088162,0.0200328911458623,0.784386545266094,0.932681328891289,-0.0964268813947707,0.170067283896565,0.423666300244392,0.245706283450437,0.000396681142702455,0.00558301336512648,{"$nulls":8},"COMPOUND_162_1129a4_91",374,4.91,162.1129,"L-Carnitine","[M+H]+","adduct 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85.10999:39 85.16199:86 85.18106:139 85.21007:15 85.23204:12 85.29595:24 85.33987:95 85.37666:20 85.40827:13 85.45474:14 85.75502:34 85.99692:67 86.02582:55 101.86172:19 102.09149:5205 102.23016:9 102.24422:10 102.27225:29 102.33556:12 102.35409:11 102.38422:32 102.49372:27 102.64297:27 102.6837:29 103.03894:10232 103.09386:136 103.12133:30 103.14518:41 103.16447:27 103.18411:14 103.20548:22 103.22775:41 103.25099:48 103.26868:35 103.29:35 103.31469:17 103.51618:29 103.53371:21 103.57364:15 103.59734:24 103.71758:26 103.75683:39 103.78851:71 103.80953:11 104.04766:29 161.25511:10 162.11227:4680 162.16606:110 162.21175:20 162.27127:11 162.2933:24 162.39619:25 162.53239:41 162.58107:23",16830498,15536316,18603852,17966892,12439022,14889985,22827782,20083462,14420754,18273940,24331386,22818700,20559876,18032538,12404602,17754416,19010440,16205918,15930701,17683084,16013099,18823108,19906668,18437718,22442664,19657586,20932926,18445012,18542058,15885393,16383167,11294538,17939868,15361925,15137653,18583096,18034686,20746550,11674052,16760882,14994029,18266426,15582681,19450020,15925085,22508992,18592310,13457019,15955174,16366975,15696072,14043539,15772801,14415516,12487981,18210352,22397762,17352340,20111880,21759150,20687662,13284691,11597813,16436189,12421964,16420648,19616052,12669092,16424879,17569856,15762887,19925590,14275847,18033256,16068620,17037294,17396536,16778304,20095698,19392076,16046052,19842370,16969922,17433026,15288864,15000236,14650597,17605296,16037372,11987752,21070228,19654070,14665735,15034654,14012392,10210977,11958100,10931083,12713865,15711008,16043250,14188284,15805742,13450791,10524019,11868027,16844894,15228573,10602397,11345277,13356144,15215870,13688251,16106939,17585592,11389957,14275357,12048994,14647983,15785995,12790986,13138420,11454857,14956640,12016142,12245854,11822845,15780761,12016761,16961444,14682508,14730081,16784626,10247941,14116566,10139139,15077901,18365066,18851166,17602198,16765174,15408644,15787246,14244659,14111353,17600168,14360758,17054220,14017218,13071833,18887264,15772216,14217238,15989462,29900410,16984254,17859360,18015754,13248454,17762284,17658174,14028468,15571073,12379176,14344611,14782909,16664047,16381671,13675266,17188084,17929326,15885671,16806880,16922112,14610545,18603612,13976443,12029585,8353078,13165343,12775620,18151704,12601048,16602531,20800026,19419216,11525560,17112254,15632191,15787024,13092870,16133946,17015318,13388282,15834816,16788270,19417774,13702331,12711254,16644098,9897882,16659580,17561802,11912162,20149688,19629762,18977184,18978516,19026946,18733988,18529408,18422932,18417296,18282326,17488988,17111142,17135888,16444428,16531725,16239346,15649373,15450316,15019105,15103930,15086151,15113118,15221751,15004048,15251903,15089493,15329025,14937607,9011688,9059058,9391525,{"$f":"AVERAGE(QG48:RH48)","v":16869835.10714286}]
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167.06218:0","","kept","COMPOUND_165_0555a4_49",0.205853599000719,0.0979096389752466,0.957216415181745,null,0.149669431941251,0.226632642873859,0.608394131506539,0.205048344125102,0.118473384213928,0.715916193212512,{"$f":"-LOG10(AO49)","v":0.1451378142223355},0.0408662361494427,0.753494825489265,0.90482418253941,-0.000805254875617172,-0.339984374709009,0.338373864957775,0.996301327964306,0.998814649343192,-0.0363161832287929,-0.499122903263884,0.426490536806298,0.878129941615308,0.986551500680899,0.205853599000719,-0.0304289364471403,0.442136134448579,0.0924191681493762,0.857790754650892,-0.00113013104823731,-0.090888687708224,-0.108803195791808,-0.490022323678611,0.272415932094996,0.57778869689274,0.981502425716811,-0.036316183228794,-0.523148019086082,0.450515652628494,0.884087809483308,0.987948797539425,0.149669431941251,-0.11589945727151,0.415238321154012,0.273344849338248,0.661073698016508,-0.135863890567665,-0.221218099556653,-0.136545511560456,0.114297453812596,0.766845817976629,-0.224300283232014,0.00917607799147339,0.256659160360663,0.0297480078403347,0.731972879183082,0.934115724298445,0.157535563742206,0.0680328991412165,0.413403499267646,-0.161740170929681,0.0609117914158048,0.702051225343171,0.0261350215085513,0.764366622385051,0.971820238963324,0.0284424975248923,0.741454874297887,0.996797703277145,-0.0188603130565627,0.833306999902326,0.997386352465513,0.0184267575445506,0.83389282220267,0.999284470898712,0.113573634905939,0.186353006474197,0.838323957193117,-0.126934079047546,0.139381578674604,0.999579883545101,0.0260343775016453,0.762664491444423,0.974399418345268,0.184750629863196,0.039958398184193,0.998611522381113,0.0166608040152515,0.846773895359284,0.971592877792918,0.0550831151449256,0.522621582759323,0.948072396513635,-0.136545511560456,0.114297453812596,0.766845817976629,-0.224300283232014,0.00917607799147339,0.256659160360663,0.0297480078403347,0.731972879183082,0.934115724298445,0.157535563742206,0.0680328991412165,0.413403499267646,-0.161740170929681,0.0609117914158048,0.702051225343171,0.0261350215085513,0.764366622385051,0.971820238963324,0.0284424975248923,0.741454874297887,0.996797703277145,-0.0188603130565627,0.833306999902326,0.997386352465513,0.0184267575445506,0.83389282220267,0.999284470898712,0.113573634905939,0.186353006474197,0.838323957193117,-0.126934079047546,0.139381578674604,0.999579883545101,0.0260343775016453,0.762664491444423,0.974399418345268,0.184750629863196,0.039958398184193,0.998611522381113,0.0166608040152515,0.846773895359284,0.971592877792918,0.0550831151449256,0.522621582759323,0.948072396513635,-0.0485356357204247,0.49383423678005,0.69548059392712,0.0222621231800329,0.754357126246596,0.901664873762836,-0.291675732800094,2.6557188547561e-05,0.000246220423610883,0.164557302295108,0.019575383248199,0.0607230770015495,0.0692070025752828,0.328950366579089,0.603422010205793,-0.0376094592264882,0.596991824047081,0.817409484670756,0.146416793888573,0.0366470201777371,0.116682563284447,-0.0719319761862183,0.320170396909035,0.746422813831516,0.134636427472164,0.058607415796512,0.165745972404044,0.107027287911433,0.127598194827879,0.445887418826575,-0.182648608294396,0.00892937873847287,0.090128511378341,0.0345003680391003,0.624217568873762,0.971230790567649,0.423261754622381,1.29571038454144E-9,8.58926413912522E-6,-0.0426181895649008,0.545016761873649,0.797434420245138,0.236715316905948,6.52559346867609E-4,0.00837155416417616,{"$nulls":8},"COMPOUND_165_0555a4_49",329,4.49,165.0555,"Unknown","[M-H]-","similar 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["COMPOUND_166_0726a1_53","HILIC_POS",null,388,1.53,166.0726,"Methylguanine","Purine base",2,null,"x","7-Methylguanine","[M+H]+","similar chromatogram in higher mz_659",1,true,"C6H7N5O","","FZWGECJQACGGTI-UHFFFAOYSA-N","CN1C=NC2=C1C(=O)N=C(N)N2",null,-1,-1,764.0008,625.4897,500,"180709MR_Grainmark_Hilic_pos_233","166.07158:2984 167.07493:563 168.07829:228","81.06738:31 97.13303:15 124.05206:239 124.11033:6 149.04497:64 159.35103:7 166.07393:794 166.12601:31","kept","COMPOUND_166_0726a1_53",0.174583726951394,0.207837192899078,0.989992978438828,null,0.242195744724072,0.0822065820962804,0.379727739877016,0.0335335140241389,0.79308939745797,0.971852316133111,{"$f":"-LOG10(AO50)","v":0.012399725980593327},-0.177428741266933,0.168239295109025,0.439944097545455,-0.141050212927256,-0.491461270363161,0.209360844508648,0.432971943213187,0.970074612906728,-0.171052308509579,-0.6493601864636,0.307255569444443,0.485244602939071,0.941442236633333,0.174583726951395,-0.0695233193213573,0.418690773224147,0.165674433321159,0.908769931833159,-0.191632675904809,-0.201047409516145,-0.419624485991006,-0.775630854826868,-0.0636181171551432,0.0240120354277051,0.822127340328452,-0.171052308509579,-0.627051560406491,0.284946943387332,0.464143350431889,0.952280097333664,0.242195744724072,-0.00580916638438045,0.490200655832524,0.0599506613094691,0.324949250875282,-0.562834088209315,-0.631143621588608,-0.140420973726562,0.104283682726149,0.748284002356277,-0.132186403961453,0.127878370278747,0.67234013868698,-0.0200648267735484,0.817324443751256,0.954009074511133,-0.0821410765940182,0.343577677116365,0.762751648226519,-0.148892614175331,0.0847964337623632,0.758253595108288,-0.0339586408665518,0.696884666241138,0.966760238828324,-0.081927864723906,0.34122083059083,0.996797703277145,0.100605892493913,0.260411592590097,0.997386352465513,-0.0932232454185825,0.287698627719024,0.999284470898712,0.0179347815456675,0.8352176178881,0.981766976862292,0.046500511172639,0.58948701090584,0.999579883545101,-0.0111279322619026,0.897310429170779,0.988910391054296,0.0839826904917439,0.353739686240766,0.998611522381113,-0.0500598091510976,0.56128712324326,0.889823397257207,-0.116472689434305,0.175288683599999,0.831774290325263,-0.140420973726562,0.104283682726149,0.748284002356277,-0.132186403961453,0.127878370278747,0.67234013868698,-0.0200648267735484,0.817324443751256,0.954009074511133,-0.0821410765940182,0.343577677116365,0.762751648226519,-0.148892614175331,0.0847964337623632,0.758253595108288,-0.0339586408665518,0.696884666241138,0.966760238828324,-0.081927864723906,0.34122083059083,0.996797703277145,0.100605892493913,0.260411592590097,0.997386352465513,-0.0932232454185825,0.287698627719024,0.999284470898712,0.0179347815456675,0.8352176178881,0.981766976862292,0.046500511172639,0.58948701090584,0.999579883545101,-0.0111279322619026,0.897310429170779,0.988910391054296,0.0839826904917439,0.353739686240766,0.998611522381113,-0.0500598091510976,0.56128712324326,0.889823397257207,-0.116472689434305,0.175288683599999,0.831774290325263,-0.00662367756638044,0.92564760882007,0.967689323272078,-0.0140799504895991,0.843137167516875,0.942142381869065,-0.153514853843469,0.0295710870245259,0.0816437883738367,0.216720755277066,0.00200025436555944,0.00903864089249729,0.0550452503310259,0.437676605115974,0.701098073707973,0.143337298298209,0.0428820037624436,0.237878496185137,0.321481903746778,2.75180454367715E-6,6.08057077334528e-05,0.0985472795291819,0.172728039284431,0.603592078237477,0.322059579700317,3.7106238802251e-06,7.68678928187881e-05,0.219969399326729,0.00157068294245564,0.0792898617790484,0.104568687373145,0.13663338929004,0.502055953734471,0.0663366250909438,0.345837794810936,0.935532184183476,0.266293616283348,0.000212437530746129,0.0102046984877978,0.0437134460306761,0.534722521781142,0.79142488913001,0.183066595928718,0.00877152076465829,0.0638270155311962,{"$nulls":3},1,{"$nulls":4},"COMPOUND_166_0726a1_53",388,1.53,166.0726,"7-Methylguanine","[M+H]+","similar 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linked to 628_[M+Cl]-",0.004464286,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180718MR_Grainmark_Hilic_neg_001","170.87108:4056 171.87443:173 172.87779:4161","",3172,2776,2551,2838,1852,2204,3426,3114,2830,1873,3700,1801,2108,2970,2216,3603,2105,2612,2097,2712,3078,1740,1824,1541,1923,1724,2867,2728,2470,1660,1748,1338,1910,1556,1941,1349,1542,1494,1830,1253,1194,1186,1713,1480,1120,1989,1316,2297,1808,1754,1618,1724,1773,1348,1606,921,1252,1546,1245,2068,1709,2308,1636,2010,2161,2353,1684,2582,1819,2313,1961,1937,1678,2181,1236,1854,1983,2493,1499,2239,625,2091,1166,1895,1270,1607,1336,719,1022,1383,1599,1549,1613,782,1198,1029,1535,1877,571,1630,1549,2121,1176,792,1886,2049,1865,1886,1577,1313,1988,1675,1854,1344,1698,1885,1597,2398,1641,1246,1408,1547,1428,2306,1403,1621,1688,829,2589,2591,2418,1677,1355,2116,1298,1784,1739,1482,1110,1642,1599,2304,2144,1443,2314,2753,1748,2069,2638,2357,1308,1930,2644,2503,2875,1868,1818,2604,2468,1965,2569,1846,2324,1697,2262,2985,2426,2902,3134,3167,2969,2237,1824,2554,2403,2511,2465,3248,2793,2766,2440,2127,2913,2956,2688,2532,3197,2268,2387,2308,2164,3347,2072,2587,2432,2646,3094,{"$nulls":7},17751,5949,5471,3766,3289,4335,3212,3833,2790,2309,1946,1859,2645,1807,1480,1586,1646,1328,1631,2010,1653,1516,1705,2410,1960,2243,2751,{"$nulls":4},{"$f":"AVERAGE(QG623:RH623)","v":3143.740740740741}]
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similar chromatogram in higher mz_627; adduct linked to 269_[M+H]+",0.9872341,false,"C9H10O4","","","",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_035","181.0526:10159 182.05595:865 183.05931:553","",29267,34255,31287,32340,32492,32380,37287,31929,42609,32970,39423,26489,40121,37818,36200,33594,25584,31290,27735,24683,31516,33132,32743,40612,38758,38355,34706,27926,24137,28603,29348,28335,27494,31171,29326,30558,36286,34675,34646,41134,29691,31460,33420,22155,31399,37794,35404,28004,29846,26309,24661,24718,21319,28532,20829,26344,21114,23521,22959,28645,29596,37919,19985,24066,25422,25339,30526,31844,23436,33417,24992,39184,29977,28140,36228,39386,22846,36673,29824,34758,23727,29460,26284,29438,30681,26818,25947,32395,20949,32645,27012,34890,27965,26437,37380,22704,21627,25064,29123,30563,26632,29102,32169,24535,29544,24468,24790,21749,28303,24704,25839,27409,31348,30308,20243,29619,21521,19954,27609,22030,21123,23793,26179,27593,21383,23468,29186,34577,26325,29192,29318,30343,27408,20476,37538,24488,20359,26793,20302,21122,26067,27068,23585,25262,22083,18427,24752,25495,22184,20718,29169,19630,24688,25192,42434,23096,24781,28088,23857,26589,22414,22619,22110,21384,33174,29258,22012,21070,32777,32091,24675,26821,32366,25203,24065,27827,34644,18360,17333,20600,21950,31290,19389,25397,23640,27952,22230,29607,29386,23726,24397,28968,32156,23644,25759,29118,28870,20483,27206,20033,19479,26821,25965,29117,34027,34737,34812,36600,36204,34195,34584,33780,33682,37131,31814,31715,30428,30472,30014,26919,28493,27263,27248,26760,25865,25497,25196,26675,26333,26880,26625,28375,12354,11265,9711,{"$f":"AVERAGE(QG708:RH708)","v":30440.14285714286}]
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197.10919:997","","kept","COMPOUND_195_1026a7_61",-0.0312772622624783,0.737900819957636,0.997039611723942,null,-0.0505283091379209,0.589030767261395,0.873377318536668,-0.212731561691812,0.0104895261883659,0.445264202379391,{"$f":"-LOG10(AO857)","v":0.35138221916032975},-0.159588293836576,0.0522199895308534,0.226696994499035,-0.181454299429334,-0.378175986596678,0.0152673877380093,0.0751860376877885,0.924600079248523,-0.310573228474395,-0.768661742560717,0.147515285611927,0.188085717324466,0.859571204822437,-0.0312772622624779,-0.16831959860769,0.105765074082734,0.656105900578286,0.99523549462833,-0.440147904118961,-0.176977355325857,-0.109059984698656,-0.413436384957968,0.195316415560657,0.484981809411739,0.9759596018926,-0.310573228474388,-0.779420510457786,0.15827405350901,0.197847890660542,0.890794409698417,-0.0505283091379209,-0.262566207045935,0.161509588770093,0.641997763847672,0.901844284074214,-0.171749119514467,-0.156515047076825,-0.213166476818759,0.0130522834652224,0.45928576819049,-0.131178319881117,0.130837134646497,0.678701075822489,-0.00939970102325864,0.913835886093169,0.978551323479605,-0.242345530900716,0.00462636592797018,0.112750660796009,-0.233276441598483,0.00647124310035728,0.417150595178347,0.0535240469025877,0.539068979062951,0.942561762109303,-0.237309112831786,0.00523537496190651,0.751134255560396,-0.102865645127458,0.24980181882114,0.997386352465513,-0.245485490312255,0.00455202198051533,0.68188002445752,0.0529042744496799,0.539225173857284,0.940049970521256,0.115462557633669,0.179087489704142,0.999579883545101,-0.018021472269586,0.834432492129205,0.980019750055345,0.00946834062698046,0.916876128090191,0.998611522381113,-0.035447087571664,0.680907370989,0.931106081630331,0.11761008802345,0.171082801104483,0.829111002877126,-0.213166476818759,0.0130522834652224,0.45928576819049,-0.131178319881117,0.130837134646497,0.678701075822489,-0.00939970102325864,0.913835886093169,0.978551323479605,-0.242345530900716,0.00462636592797018,0.112750660796009,-0.233276441598483,0.00647124310035728,0.417150595178347,0.0535240469025877,0.539068979062951,0.942561762109303,-0.237309112831786,0.00523537496190651,0.751134255560396,-0.102865645127458,0.24980181882114,0.997386352465513,-0.245485490312255,0.00455202198051533,0.68188002445752,0.0529042744496799,0.539225173857284,0.940049970521256,0.115462557633669,0.179087489704142,0.999579883545101,-0.018021472269586,0.834432492129205,0.980019750055345,0.00946834062698046,0.916876128090191,0.998611522381113,-0.035447087571664,0.680907370989,0.931106081630331,0.11761008802345,0.171082801104483,0.829111002877126,0.0677283333840384,0.339414041011045,0.562551130421163,0.0144252345792136,0.839341799178949,0.941295345416555,0.227493466659363,1.16279195177424E-3,0.00600940621283396,-0.131402773897482,0.0629693819305268,0.151625148135656,-0.0245812894541989,0.729058084980317,0.883689092764573,0.0249534206345954,0.725785420977638,0.894092693211151,-0.112159964119839,0.11022901935866,0.257654502584116,-0.00407290597062423,0.955170304039773,0.992956218795003,-0.0896750563138655,0.208977018011988,0.403050214006574,-0.0901969534158781,0.199502341943514,0.549667923833564,-0.0305869894583941,0.664080219283213,0.916746564343664,-0.0624471433788515,0.374912399370671,0.935532184183476,-0.0841796946544143,0.249465977527936,0.624041496238749,0.0747312149172509,0.288098316427861,0.574549861492266,-0.0492415403916941,0.484294206643928,0.758685331606854,{"$nulls":8},"COMPOUND_195_1026a7_61",504,7.61,195.1026,"w/o MS2:2'-Deoxyadenosine 5'-monophosphate","[M-H]-","",0.8297873,false,"C10H14N5O6P","","KHWCHTKSEGGWEX-RRKCRQDMSA-N","NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_114","195.10248:37734 196.10583:6906 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["COMPOUND_203_1395a4_75","HILIC_POS",null,524,4.75,203.1395,{"$nulls":5},"w/o MS2:Ala-Ile","[M+H]+","",0.9829787,false,"C9H18N2O3","","ZSOICJZJSRWNHX-ACZMJKKPSA-N","",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_178","203.13837:23469 204.14172:3345 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MS2:Ala-Ile","[M+H]+","",0.9829787,false,"C9H18N2O3","","ZSOICJZJSRWNHX-ACZMJKKPSA-N","",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_178","203.13837:23469 204.14172:3345 205.14508:562","",34631,18045,35248,54945,40380,33230,34915,21815,38913,26558,67852,51548,31475,34560,30043,37112,31473,37967,23616,25041,20467,30090,31732,39565,37116,44132,39960,24152,34927,26957,25360,30330,26430,37072,19946,29956,27165,23960,41111,38130,28293,25503,18601,39933,26482,35884,19936,43098,31896,32641,23406,29280,29589,34902,16506,36859,33385,21515,37182,39843,38159,38605,22312,30861,30985,36086,30107,33911,21122,53722,22644,24935,20424,36233,29645,28767,22940,29606,21887,42620,22995,19940,24023,38069,40068,25312,31156,53048,21586,41650,27005,29993,38871,28168,28331,24954,23837,27712,18354,25179,18855,32681,27776,42864,29560,28408,22797,25026,24966,41124,27601,12981,27563,33112,22910,31847,28329,24000,14581,24753,24528,24014,16934,25302,24113,13028,23277,24269,33822,36209,13637,31859,29156,24301,29932,21048,29618,21320,36112,20521,15841,23381,26232,37318,28915,17984,38858,33036,27010,19114,43734,23583,38233,28185,99881,33316,26879,31652,36780,33102,31283,25975,25703,16403,31373,28233,19666,29095,31110,23743,24444,30634,26465,26253,19877,38549,21516,36991,29844,31955,26953,24286,16194,21377,40160,34377,43763,32180,27309,19847,34144,25488,25047,24803,27539,25480,28743,25874,34930,24467,42418,33672,32408,34691,39573,34693,36892,36275,37943,34226,35867,37992,32590,34174,30712,31934,33914,31538,29227,31172,26289,27786,27118,26198,29257,28255,24721,27460,27172,24856,28929,24364,12806,9610,15883,{"$f":"AVERAGE(QG942:RH942)","v":31111.678571428572}]
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ion correlated with 2342; adduct linked to 2974_[M+K]+",0.2978723,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_031","220.16719:12608 221.17054:53660 222.1739:25124","",7493,8770,8665,40000,30154,32856,8329,7055,22264,43145,17170,15071,2802,2657,597,3994,2306,13578,10505,48899,20966,8672,30771,16853,13704,9591,7933,8920,13980,27786,6500,10923,5993,17373,4356,3583,11563,17253,12554,27023,4336,7435,9883,7358,37848,16767,2004,17314,7440,9629,29672,6136,15488,26187,6032,23914,15338,16881,22030,6749,10061,23226,9973,5799,17223,5712,28975,10053,3686,2019,1703,1123,1872,1311,3170,1769,2692,1205,1656,1567,2502,1157,2242,1678,1708,1688,1420,1008,1017,1230,1454,2039,1495,954,1554,1351,1949,1988,1158,1124,2717,1326,800,1236,763,589,492,1392,1246,633,2968,985,3166,1202,1563,1377,2083,240,821,2109,1319,3190,1324,1005,1960,1256,530,2168,2000,1283,1012,312,1221,906,980,1316,42304,14691,20649,6056,8276,22616,20163,4543,4989,8868,5971,1603,23773,3560,7453,3050,6020,7150,10789,8663,4166,1828,11281,5046,28983,8716,4360,5936,2120,6973,13529,5557,4153,3453,15896,4243,5121,7243,6010,6286,5414,18941,5952,8960,10589,10267,9308,4021,9654,2279,3473,14500,19933,7674,8466,3530,8031,8086,1365,5523,11856,39921,7242,11998,5740,5576,3733,3285,4454,3756,4065,3749,5340,5716,4441,3608,3185,3030,3224,3101,2609,2373,1656,2121,1496,1877,1831,2408,2131,1972,2303,2119,2402,1289,1921,2608,1009,1083,2425,{"$f":"AVERAGE(QG1091:RH1091)","v":2885.1785714285716}]
["COMPOUND_226_0163a3_15","RP_POS",null,2803,3.15,226.0163,{"$nulls":5},"Unknown","[M+K]+","adduct linked to 1794_[M+H-H2O]+",0.01702128,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_019","226.01665:3142 227.02:293 228.02336:0","","kept","COMPOUND_226_0163a3_15",-0.13797012996458,0.323002368668155,0.997039611723942,null,-0.110564461471511,0.427768171725627,0.780962602690493,0.282918050802179,0.119802767783258,0.716586281663218,{"$f":"-LOG10(AO1134)","v":0.14473151022934586},0.0770246334510304,0.669183869342878,0.865579331585673,0.420888180766758,-0.0563504581962092,0.898126819729726,0.088567484087779,0.928230934396853,-0.362470437676641,-0.841890356157804,0.116949480804523,0.141368679677049,0.822823428533904,-0.13797012996458,-0.470429143606829,0.194488883677669,0.418923233673006,0.99523549462833,0.421802726510625,0.401733974464352,0.18758909492254,-0.23535350728555,0.610531697130631,0.387828515695614,0.9759596018926,-0.362470437676641,-0.824308520896591,0.0993676455433096,0.127183358994555,0.848898593681034,-0.110564461471511,-0.405199197382529,0.184070274439508,0.464643859939143,0.810010667473393,0.214633480996339,0.154816167318313,0.0452992300248392,0.601877054047405,0.995607067631744,0.0274526719461074,0.752860533104987,0.971290832638948,-0.0319220904219124,0.713211872406683,0.929378290029094,0.0765036073545464,0.377820484466215,0.784886239901768,0.0612491247144244,0.480377289922117,0.969972907369392,0.0807697059779731,0.353545384607787,0.883452271824669,0.0924338891429164,0.282688416355674,0.996797703277145,0.0878133176770859,0.326238177943652,0.997386352465513,0.109550843211771,0.211139059602222,0.999284470898712,-0.000383069164029437,0.996455308161523,0.998786750620486,0.0305527035369523,0.723026888045722,0.999579883545101,-0.000868365337334713,0.991964777184045,0.99713644180113,0.105777720272805,0.242304912743341,0.998611522381113,0.0645263064573592,0.453783648817443,0.844255921063234,0.0625309596134905,0.467893484917454,0.943914315426593,0.0452992300248392,0.601877054047405,0.995607067631744,0.0274526719461074,0.752860533104987,0.971290832638948,-0.0319220904219124,0.713211872406683,0.929378290029094,0.0765036073545464,0.377820484466215,0.784886239901768,0.0612491247144244,0.480377289922117,0.969972907369392,0.0807697059779731,0.353545384607787,0.883452271824669,0.0924338891429164,0.282688416355674,0.996797703277145,0.0878133176770859,0.326238177943652,0.997386352465513,0.109550843211771,0.211139059602222,0.999284470898712,-0.000383069164029437,0.996455308161523,0.998786750620486,0.0305527035369523,0.723026888045722,0.999579883545101,-0.000868365337334713,0.991964777184045,0.99713644180113,0.105777720272805,0.242304912743341,0.998611522381113,0.0645263064573592,0.453783648817443,0.844255921063234,0.0625309596134905,0.467893484917454,0.943914315426593,-0.196507407388437,0.00517536772571311,0.0391748366721564,-0.156578398437676,0.0268185790496031,0.178494337871304,-0.308760007880912,8.2122126630025e-06,9.01303936143106e-05,0.230522652773773,0.00099373424137851,0.00496417806036032,-0.0695564268314783,0.326508336178406,0.600811313690329,0.160328022856367,0.0233377764001316,0.172799875957916,0.312357757573868,5.40892135382273e-06,1.02443670880987E-4,0.0998158540797485,0.167239050806916,0.598656310585783,0.323060648627046,3.4477050911589E-6,7.30186487197838e-05,0.192877645839203,0.00571120953440318,0.125779428583251,0.00963642095311826,0.891194374583901,0.977053469639097,-0.00146550072311981,0.983402862110463,0.997103580503674,0.185217279843886,0.0107247937731877,0.116357868940199,0.0457882445591148,0.515492308385559,0.781131395163462,0.217048170352202,0.00181911625869791,0.0185640476489183,{"$nulls":8},"COMPOUND_226_0163a3_15",2803,3.15,226.0163,"Unknown","[M+K]+","adduct linked to 1794_[M+H-H2O]+",0.01702128,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_019","226.01665:3142 227.02:293 228.02336:0","",9157,9728,8059,7789,7925,6781,11589,10075,19279,10144,6230,7576,8292,8479,8078,13293,11339,9656,7740,6079,8728,10290,8035,9772,9204,8426,9277,6250,6817,7459,10221,11450,5639,7049,7275,6881,9193,5578,10263,9404,6983,8279,7724,6882,10417,9927,7134,8102,11654,9119,4911,6386,6598,9731,7554,5562,5534,4375,6246,5331,6728,7974,4924,6069,7562,8713,4657,5762,8219,7066,7393,7375,6525,9856,7747,8692,6342,9302,7535,9031,5467,7809,7337,6828,7985,9829,9223,10556,6096,5989,4814,8524,6241,9615,10466,9266,6178,5145,8234,7997,9806,7366,9897,6521,5056,5259,5270,5059,7182,4673,8441,8455,9290,4122,6422,8814,5239,5061,7457,4440,5592,5961,6149,9117,7767,7896,14071,6418,7563,8455,6053,5377,8121,7990,4693,6922,6534,6848,5376,12339,8167,5635,4613,5673,4671,4456,5827,9061,7618,7436,7207,4110,7261,7171,8508,4553,6598,5551,6571,8653,4871,5455,6060,5636,4309,9439,7005,5805,5721,6723,5713,6420,5496,8441,4291,9610,8317,5889,5191,5320,5554,10645,6282,5407,4234,6475,6021,7532,5065,7095,4244,10268,5268,6056,7292,6700,9925,4084,8837,4432,5253,4150,5261,5605,12658,9806,8634,8896,10901,9478,9208,9326,9885,11280,8949,8611,9015,8469,7121,6931,7512,7281,7801,6435,6963,6978,7180,6656,7976,7011,7246,6602,2317,2811,3922,{"$f":"AVERAGE(QG1134:RH1134)","v":8386.035714285714}]
["COMPOUND_247_0647a15_45","RP_POS",null,3153,15.45,247.0647,{"$nulls":5},"w/o MS2:Stavudine","[2M+H]+","adduct linked to 1159_[M+NH4]+",0.1957447,false,"C10H12N2O4","","XNKLLVCARDGLGL-JGVFFNPUSA-N","CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_001","247.06458:3633 248.06793:0 249.07129:414","","kept","COMPOUND_247_0647a15_45",0.438853965225786,0.0750052094262132,0.929363613619378,null,0.301610015135781,0.219198386603749,0.598338888958875,-0.160170278146406,0.499977767888466,0.917551992867747,{"$f":"-LOG10(AO1325)","v":0.0373693171839957},0.0162979525948354,0.945182874333971,0.983096415858386,-0.599024243372192,-1.30515933962204,0.107110852877656,0.0987523282014062,0.943129526477261,0.274853513244845,-0.224459401747239,0.774166428236928,0.282604933477356,0.906150143134267,0.438853965225786,-0.0530613124380909,0.930769242889663,0.0826937513273543,0.849350239879882,-0.390933627739644,-0.359560104640393,-0.285312062540945,-0.8814328363344,0.310808711252509,0.351630111475477,0.970348220692963,0.274853513244845,-0.188425114804112,0.738132141293801,0.24706829438013,0.911249666167919,0.301610015135781,-0.113665925005363,0.716885955276924,0.15930195716723,0.530659635206818,-0.22812778631601,-0.205417339408292,0.000899732014715544,0.991736670990251,0.999722820429701,0.0147053521255917,0.866078967576497,0.992928425157518,0.0414940958003894,0.632763714213968,0.898240044407477,-0.0611527705784682,0.481069396044594,0.838349041217278,-0.0132855614614546,0.878449065794542,0.999675701925871,0.025059604843236,0.773795854934495,0.973523006711097,-0.0558537270861242,0.516812034074686,0.996797703277145,0.0456997095761844,0.609922450179012,0.997386352465513,-0.0581881949903716,0.507500432724578,0.999284470898712,-0.0280165680959639,0.74519267086142,0.972605440890419,0.201478366689287,0.0182306294577057,0.999579883545101,0.0198792904862326,0.817647365086666,0.977843114407272,-0.0227403448847345,0.802051020665383,0.998611522381113,-0.179953860267279,0.0353595789139935,0.247778698330722,0.117880458754439,0.170094106626039,0.829111002877126,0.000899732014715544,0.991736670990251,0.999722820429701,0.0147053521255917,0.866078967576497,0.992928425157518,0.0414940958003894,0.632763714213968,0.898240044407477,-0.0611527705784682,0.481069396044594,0.838349041217278,-0.0132855614614546,0.878449065794542,0.999675701925871,0.025059604843236,0.773795854934495,0.973523006711097,-0.0558537270861242,0.516812034074686,0.996797703277145,0.0456997095761844,0.609922450179012,0.997386352465513,-0.0581881949903716,0.507500432724578,0.999284470898712,-0.0280165680959639,0.74519267086142,0.972605440890419,0.201478366689287,0.0182306294577057,0.999579883545101,0.0198792904862326,0.817647365086666,0.977843114407272,-0.0227403448847345,0.802051020665383,0.998611522381113,-0.179953860267279,0.0353595789139935,0.247778698330722,0.117880458754439,0.170094106626039,0.829111002877126,-0.0998789782748056,0.158324979896404,0.352429916633062,-0.0476310433127067,0.503009032777951,0.770080110458438,-0.172281199398204,0.0144616059662251,0.0458688927990938,0.0546383658640212,0.441076283611444,0.616985584313201,-0.0291987571301699,0.680728093332867,0.858744143943231,-0.0518071583982603,0.466270285886429,0.728300123737309,-0.000238540636716289,0.997298283310171,0.999293382754368,0.0453408005638815,0.531233077759481,0.864394715873245,-0.0135806419674857,0.849391103645254,0.926849979599077,0.0467562365740639,0.50664399056886,0.804235443786797,0.110162095089925,0.116755450940832,0.466261853429093,-0.0364356745400942,0.604891210421479,0.971225001437131,0.0387782016767874,0.596268070722358,0.854814238931338,-0.12037349405689,0.0863536394909186,0.271945630266958,0.0857145742263765,0.222855236599384,0.501973280128209,{"$nulls":8},"COMPOUND_247_0647a15_45",3153,15.45,247.0647,"w/o MS2:Stavudine","[2M+H]+","adduct linked to 1159_[M+NH4]+",0.1957447,false,"C10H12N2O4","","XNKLLVCARDGLGL-JGVFFNPUSA-N","CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_001","247.06458:3633 248.06793:0 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418.08114:36572","",100471,114504,117191,111467,110616,111178,112817,105176,115286,106844,111508,113389,106399,110091,120754,116095,112424,106885,108496,112700,116331,104342,108122,104647,107909,97130,103043,117994,107094,112073,117679,113206,111825,111028,101810,103924,117864,95891,106012,107008,103584,107353,100515,109347,97901,99446,92167,101553,108774,105128,98087,103905,94440,105687,91021,103266,104097,107736,99532,106131,108172,120361,109200,104429,108306,114538,90455,107312,109883,111802,112829,104614,116502,114532,105288,109365,99283,106150,102803,108948,108593,107495,105992,106456,110078,108731,101398,96129,103661,97345,109155,106750,81034,102722,104207,103550,106870,103088,101458,95686,99957,103370,112722,82839,98951,87626,94964,110529,96408,92329,97122,107281,103498,100980,106464,92252,93596,103694,100576,98307,97961,103160,87908,102910,90111,87051,105038,98717,85282,98382,95309,94804,86209,100654,96986,97474,104780,94969,92807,95194,101926,89649,106845,106319,93981,92961,104249,90166,102979,105711,83803,92093,96140,86165,94178,89782,10027,87817,88134,99209,101866,97475,97720,91244,94381,97190,93189,91505,103946,95337,93359,92244,105929,97978,79025,83881,88275,86513,60775,88387,84161,90000,84806,84672,74893,82241,85703,85740,78852,83245,76440,90515,86275,92610,86120,83177,93479,88871,87983,89229,84181,86332,77399,81794,5294,78449,88030,93214,94050,99183,94420,103003,102370,107139,110624,107982,105246,101969,104718,103995,106145,108513,103464,100619,100451,94781,88919,100678,92091,84051,88032,84244,44042,44794,43207,{"$f":"AVERAGE(QG3008:RH3008)","v":94702.64285714286}]
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ion correlated with 10311; adduct linked to 6706_[M+Na]+",0.004255319,false,"C24H40O3","","","",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_001","421.33032:12075 422.33367:6543 423.33703:0","",4932,6483,3356,2415,3636,4100,2639,5472,4311,3401,6803,3679,2929,3500,847,3367,3407,2172,4846,7160,2642,3772,3808,3933,1909,2418,3071,2560,2706,4159,2385,4398,1670,1713,3760,4218,1476,1579,3723,2086,1085,3459,3082,2084,5167,1840,1619,1890,1453,3445,2812,2476,2756,2394,1749,3324,3266,2119,3672,3593,3665,2425,3656,2866,3414,2482,2830,1626,4797,3442,2076,2173,2612,1648,2174,2904,3640,1558,1428,1517,1721,3387,3091,2445,2079,4034,2831,1559,3193,2272,3004,3294,4126,2353,1568,2427,685,3126,2460,1405,4878,2487,2699,1201,1932,3218,1751,750,1831,1432,3215,2464,1571,2318,3418,3403,2605,4410,1656,2524,1180,2936,2159,2841,2160,2508,1329,1336,2845,2208,1554,1355,3506,2768,3742,2704,1828,1723,1205,2297,4195,963,1836,1562,3089,835,1845,3431,1005,2095,1969,2108,2455,3251,2884,1598,1845,3238,1823,2368,3034,2405,2765,2126,2106,2052,2943,2656,2626,2112,1402,2645,5043,2205,2088,1963,805,1684,2679,2254,780,1862,1855,1864,1447,1436,2123,2324,1179,4058,1856,2530,384,2515,1155,695,1664,1293,2076,2272,2852,1623,1595,3165,93445,7858,7001,7609,3294,5663,2610,4047,5165,3057,1923,2127,2946,2313,1859,1112,1822,2516,2651,2006,1796,4407,876,1376,1977,2719,2128,1873,1666,922,2289,{"$f":"AVERAGE(QG3051:RH3051)","v":6363.428571428572}]
["COMPOUND_442_1529a11_19","RP_NEG",null,1607,11.19,442.1529,{"$nulls":5},"w/o MS2:NCGC00169614-02_C24H21N5O4_(1S,3S,12S,14R,27S)-12-Hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1~2,5~.0~6,11~.0~12,27~.0~15,24~.0~17,22~]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione","[M-H2O-H]-","adduct linked to 1697_[M+Cl]-; adduct linked to 1899_[M+Cl]-",0.9914894,false,"C24H21N5O4","","YYLAARMDRFESOL-CVAYNVNESA-N","",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_077","442.15289:58255 443.15624:17186 444.1596:15386","","kept","COMPOUND_442_1529a11_19",0.0811092521074835,0.680783605344858,0.997039611723942,null,0.166421110538014,0.39955478335948,0.764011593421625,-0.0265745878531754,0.912779474203974,0.991124510155306,{"$f":"-LOG10(AO3242)","v":3.871783782417349E-3},-0.138803970572943,0.56772477752371,0.807780113802249,-0.107683839960659,-0.708008439538379,0.492640759617061,0.726280306737188,0.990739331293745,0.338939581366211,-0.145293440860716,0.823172603593138,0.172552558257876,0.852376479508158,0.0811092521074839,-0.337095201485122,0.49931370570009,0.705070993168394,0.99523549462833,-0.0855045868982756,-0.108354331749345,-0.305225081110957,-0.906209088566061,0.295758926344146,0.323168684008475,0.969864295221553,0.338939581366211,-0.136563388845169,0.814442551577591,0.164832452090837,0.864457535530191,0.166421110538015,-0.252242706724262,0.585084927800292,0.438707694155829,0.792799129372861,-0.241504353280172,-0.301655936227955,0.0160761229107137,0.85317986076312,0.996704543755967,-0.0582193725583948,0.504011572497717,0.903948892326758,0.0405838341693676,0.640249970846839,0.902257027368983,0.19803558114218,0.0213114357955803,0.238996383174214,0.00386627299368745,0.964502289649765,0.999675701925871,0.0500335828231697,0.565890510874296,0.944948734907019,0.0793040858722871,0.356957830469645,0.996797703277145,-0.0967137085087798,0.279399310064559,0.997386352465513,0.0787193577866956,0.369608060772175,0.999284470898712,0.111549744094465,0.194374178407516,0.838408789946174,-0.0518256214692271,0.547540528678873,0.999579883545101,-0.0458274502689467,0.594891352802185,0.939902424899007,-0.0770873427424966,0.394779438472989,0.998611522381113,-0.0740795071962486,0.389614556943339,0.80476301878963,0.0274614642454733,0.750072959076785,0.970153696307276,0.0160761229107137,0.85317986076312,0.996704543755967,-0.0582193725583948,0.504011572497717,0.903948892326758,0.0405838341693676,0.640249970846839,0.902257027368983,0.19803558114218,0.0213114357955803,0.238996383174214,0.00386627299368745,0.964502289649765,0.999675701925871,0.0500335828231697,0.565890510874296,0.944948734907019,0.0793040858722871,0.356957830469645,0.996797703277145,-0.0967137085087798,0.279399310064559,0.997386352465513,0.0787193577866956,0.369608060772175,0.999284470898712,0.111549744094465,0.194374178407516,0.838408789946174,-0.0518256214692271,0.547540528678873,0.999579883545101,-0.0458274502689467,0.594891352802185,0.939902424899007,-0.0770873427424966,0.394779438472989,0.998611522381113,-0.0740795071962486,0.389614556943339,0.80476301878963,0.0274614642454733,0.750072959076785,0.970153696307276,-0.0242127518973604,0.732964988213194,0.86610069641092,-0.00495115125356777,0.944526849382042,0.98308871025542,-0.0666119329125695,0.347452944631943,0.512976741640345,0.0256273866943353,0.718006584389444,0.834589803246997,0.00288604705445218,0.967565615832729,0.990337109672725,0.02820390901376,0.691778769463949,0.873136408792034,0.087855155352542,0.211471454714466,0.40205014312185,-0.135302715501886,0.0606399998748182,0.397038033375072,0.110664329621819,0.120639057137407,0.27923055508515,-0.0267143586079198,0.704479598081376,0.899919407146768,-0.125944646546322,0.0726616924484589,0.356239317311489,7.41793364629908E-3,0.916138004664035,0.99602722332911,-0.117428729069387,0.107563659042051,0.420424231008112,-0.222265768015937,0.00139760470304822,0.0133690066039057,-0.0236369667163831,0.737190773728999,0.90530523139117,{"$nulls":8},"COMPOUND_442_1529a11_19",1607,11.19,442.1529,"w/o MS2:NCGC00169614-02_C24H21N5O4_(1S,3S,12S,14R,27S)-12-Hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1~2,5~.0~6,11~.0~12,27~.0~15,24~.0~17,22~]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione","[M-H2O-H]-","adduct linked to 1697_[M+Cl]-; adduct linked to 1899_[M+Cl]-",0.9914894,false,"C24H21N5O4","","YYLAARMDRFESOL-CVAYNVNESA-N","",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_077","442.15289:58255 443.15624:17186 444.1596:15386","",146269,156203,155937,155717,154181,141398,157066,159077,161443,169117,148794,176093,162580,165493,184027,185536,186659,171362,158710,165173,166763,167690,177153,153942,178146,138777,157972,173778,169972,165294,176414,172520,182114,183437,157639,180591,191634,156045,178898,182020,179971,177862,169427,190105,154832,175371,168031,166166,178615,182132,185294,188272,166551,196096,144502,191045,173808,196629,186752,206083,215657,225242,211889,164401,187791,216121,168781,209065,184471,196569,214786,184796,186201,181145,181472,156965,156051,178841,175188,189458,170253,186216,198111,197666,196973,176227,159197,154945,160824,149378,188289,182447,136747,177201,191582,185379,174547,166778,141423,180812,174687,185371,160187,129817,164391,153283,163963,179591,175331,167838,149363,166484,184571,177145,185437,140036,171847,191402,191783,165332,178493,158021,160648,173014,159663,163193,178363,188123,143109,183770,158310,175280,156989,178298,188761,167352,200393,177732,170215,178172,172141,167255,183464,179571,136117,184929,182992,161859,168443,188994,164674,165698,163511,156324,180382,172087,11075,136153,169147,182963,190798,190526,177604,187039,190167,195563,193154,150669,199099,186302,205145,189372,194665,182408,170068,179973,184350,177508,132982,190394,187421,176111,177963,186295,168065,166740,180655,166714,174747,179225,156855,162679,158226,167980,166120,173349,191436,178824,168159,171274,163452,159322,163250,160381,22481,105685,114623,123833,127536,132761,145466,145718,143864,150695,175652,179190,184650,184054,199588,194872,196039,188034,197008,186500,185651,184767,184144,192545,195975,181123,177583,168067,90853,98675,101514,{"$f":"AVERAGE(QG3242:RH3242)","v":163146.57142857142}]
["COMPOUND_446_9875a8_08","RP_NEG",null,1628,8.08,446.9875,{"$nulls":5},"Unknown","[M-H]-","",0.8085107,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_180","446.98868:298705 447.99203:32453 448.99539:3228","","kept","COMPOUND_446_9875a8_08",0.220963339052224,0.312435748004442,0.997039611723942,null,-3.68228312659973E-3,0.986518695514877,0.996565345449207,0.492318446616394,0.0455042938196934,0.586578153970192,{"$f":"-LOG10(AO3285)","v":0.23167411555742587},0.120549029008333,0.620909297637848,0.838814954878039,0.27135510756417,-0.3490987006403,0.891808915768639,0.394442291942767,0.954519666499599,-0.0216400256913292,-0.483417809509926,0.440137758127267,0.926958844345055,0.990501001195482,0.220963339052224,-0.21126373613697,0.653190414241418,0.320015752488281,0.978115521311416,0.20792684281881,0.189251314349115,0.124231312134932,-0.536232151369923,0.784694775639787,0.712969033403063,0.987091979038327,-0.0216400256913288,-0.488658219461565,0.445378168078908,0.927774854920546,0.991688244099886,-0.0036822831265996,-0.463781306333742,0.456416740080543,0.987508529834077,0.996181560511087,0.0824960701320835,0.345274154695783,0.000303352155006336,0.997213906041067,0.999722820429701,0.0703279922288666,0.419390688769137,0.878585192014175,-0.0598066840334323,0.490794152552249,0.842929654537855,-0.125748017238396,0.146154693163127,0.558330569835606,0.0209242884485352,0.809645107413691,0.999675701925871,-0.135586878435542,0.118276287008112,0.75675237350675,-0.0565757377544998,0.511399063633384,0.996797703277145,0.0197961894833319,0.825164397180418,0.997386352465513,-0.0594034514324425,0.49865964962194,0.999284470898712,0.0114621464564133,0.894243931980597,0.984908610009027,0.0174416623814602,0.839686682663078,0.999579883545101,0.145245470037889,0.0903660005474497,0.564595869584396,-0.0162450312586287,0.857877437542669,0.998611522381113,-0.000496973839466794,0.995401312964353,0.997940926111874,0.0275701583980625,0.749116570204785,0.970153696307276,0.000303352155006336,0.997213906041067,0.999722820429701,0.0703279922288666,0.419390688769137,0.878585192014175,-0.0598066840334323,0.490794152552249,0.842929654537855,-0.125748017238396,0.146154693163127,0.558330569835606,0.0209242884485352,0.809645107413691,0.999675701925871,-0.135586878435542,0.118276287008112,0.75675237350675,-0.0565757377544998,0.511399063633384,0.996797703277145,0.0197961894833319,0.825164397180418,0.997386352465513,-0.0594034514324425,0.49865964962194,0.999284470898712,0.0114621464564133,0.894243931980597,0.984908610009027,0.0174416623814602,0.839686682663078,0.999579883545101,0.145245470037889,0.0903660005474497,0.564595869584396,-0.0162450312586287,0.857877437542669,0.998611522381113,-0.000496973839466794,0.995401312964353,0.997940926111874,0.0275701583980625,0.749116570204785,0.970153696307276,0.012649206410848,0.858548538891518,0.932442456583895,0.0164641950868341,0.817007855809906,0.928910850971318,6.24400755120306E-3,0.929898265140441,0.963622885667654,-0.0323303130256565,0.648662007757695,0.789421782527218,9.94370355670522E-3,0.888580542684262,0.961295339449541,0.068702846504005,0.333715217430084,0.627218082320393,-0.0288557142555259,0.682029814928565,0.8291343406215,-0.0278676237022294,0.700452887245946,0.938967795041297,-0.0215288876812863,0.763372452877467,0.877474595131737,0.0315869461194655,0.653798493628443,0.877627683053229,-0.024229849555479,0.73084970963771,0.943358590437416,0.100864276959851,0.151161486762859,0.832576653311376,0.0663605392127143,0.364272013460562,0.722856145192899,0.0491321029125808,0.485267057480747,0.760642717353654,-0.038406386901546,0.585489813758246,0.825549867480749,{"$nulls":8},"COMPOUND_446_9875a8_08",1628,8.08,446.9875,"Unknown","[M-H]-","",0.8085107,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_180","446.98868:298705 447.99203:32453 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["COMPOUND_478_3302a1_35","HILIC_POS",null,1111,1.35,478.3302,{"$nulls":5},"Unknown","[M+H-H2O]+","adduct linked to 1144_[M+H]+; adduct linked to 1639_[2M+H]+; similar chromatogram in higher mz_1324",1,true,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_235","478.33359:6685 479.33694:2522 480.3403:823","24.38781:7 29.44064:22 306.28836:16","kept","COMPOUND_478_3302a1_35",-0.0641797759024526,0.518020818870162,0.997039611723942,null,0.0221892570335497,0.822922371886165,0.952302110465192,0.0974558958625939,0.44036297588752,0.905473110493065,{"$f":"-LOG10(AO3562)","v":0.043124442244323},3.89594951417758E-3,0.975335462032488,0.99039269105284,0.161635671765046,-0.132609781721507,0.4558811252516,0.285555347398945,0.95180579896953,0.137328986023338,-0.338842953489891,0.613500925536566,0.573484737311495,0.955886816981174,-0.0641797759024524,-0.269160146828468,0.140800595023563,0.541543586664795,0.99523549462833,0.26402841991357,0.278151034250079,-0.0182933075193722,-0.309193961747302,0.272607346708558,0.902281748418853,0.998842282013749,0.137328986023336,-0.327686186418458,0.602344158465129,0.564334086877677,0.960819636276851,0.0221892570335498,-0.180461024558606,0.224839538625706,0.830735539281767,0.95548388117042,-0.0299013157953937,0.0444375950338236,0.11382488574605,0.188676621048072,0.842723049612025,-0.0124995918409191,0.886019098275712,0.99362262532331,0.0199009343571592,0.818790825449927,0.954248309055479,0.319502245026669,0.000158564441554542,0.0138305747771719,0.119440177585939,0.167645337160797,0.847027508659143,0.000377773485889619,0.996543515304656,0.999331454517464,0.0868168183151372,0.313089656789564,0.996797703277145,-0.0976648285875163,0.274675685374486,0.997386352465513,0.101191050514775,0.248293152365669,0.999284470898712,0.0420737471045899,0.625433248647754,0.954050124921421,-0.112303586183254,0.191357737196748,0.999579883545101,-0.0259448989155788,0.763456094554739,0.974399418345268,-0.0193890972864328,0.83074881346914,0.998611522381113,-0.0609620708455261,0.479154315170979,0.856149314088523,0.035989813670606,0.676294054764389,0.963728595139379,0.11382488574605,0.188676621048072,0.842723049612025,-0.0124995918409191,0.886019098275712,0.99362262532331,0.0199009343571592,0.818790825449927,0.954248309055479,0.319502245026669,0.000158564441554542,0.0138305747771719,0.119440177585939,0.167645337160797,0.847027508659143,0.000377773485889619,0.996543515304656,0.999331454517464,0.0868168183151372,0.313089656789564,0.996797703277145,-0.0976648285875163,0.274675685374486,0.997386352465513,0.101191050514775,0.248293152365669,0.999284470898712,0.0420737471045899,0.625433248647754,0.954050124921421,-0.112303586183254,0.191357737196748,0.999579883545101,-0.0259448989155788,0.763456094554739,0.974399418345268,-0.0193890972864328,0.83074881346914,0.998611522381113,-0.0609620708455261,0.479154315170979,0.856149314088523,0.035989813670606,0.676294054764389,0.963728595139379,0.234278342763083,0.000815547960957115,0.0123387831072773,0.171042334057167,0.0154517327656884,0.1408805480309,-0.29354605718114,2.34390033978779E-5,0.000222689151928239,0.631588055023414,8.98020566385567e-24,1.65360509293609E-21,0.348265961477255,4.05765946473059e-07,4.01466038682076E-5,0.250396456484938,0.000348780661646555,0.0166335755831296,0.18597172921532,0.00774109084452176,0.03601101137427,8.3163373860357E-3,0.90861497058306,0.986405187814897,0.21417211296402,0.00244696776900472,0.0145871846589319,-0.0685552127197261,0.329910429000188,0.675238116114187,-0.285271419323343,3.53844108489317e-05,1.14421102203692E-3,0.037905595550695,0.590392795847624,0.971225001437131,0.106026640244528,0.146487258829649,0.490970737880729,-0.152025153155338,0.0299581268872416,0.135453722465978,0.0413594453838053,0.556966975283798,0.808493949832407,{"$nulls":8},"COMPOUND_478_3302a1_35",1111,1.35,478.3302,"Unknown","[M+H-H2O]+","adduct linked to 1144_[M+H]+; adduct linked to 1639_[2M+H]+; similar chromatogram in higher mz_1324",1,true,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_235","478.33359:6685 479.33694:2522 480.3403:823","24.38781:7 29.44064:22 306.28836:16",109521,100630,100570,122538,125015,119288,128258,123031,111752,131644,137705,130423,134363,121597,111386,111705,117642,130266,86308,95284,94979,117924,115467,106263,115802,116183,112629,99719,119037,113007,116754,100639,96690,109248,129845,111026,109190,123639,99443,92452,128918,113084,124459,109009,123546,108729,125438,120807,101994,97445,90046,90983,101931,97652,81826,100203,97462,88039,118143,105895,138072,83464,77926,84046,104925,105479,110275,108997,79733,88435,89088,112546,102474,111479,95486,108581,98678,130933,115764,136305,96836,111186,114310,109976,101356,121111,94395,134564,95690,109314,87003,112968,88239,100436,89040,95965,88823,100500,85832,119974,104481,86416,126052,85077,103213,111888,102306,113264,88695,86374,95516,97752,104428,99465,100735,100575,96964,99208,97895,75895,100688,100083,97764,97862,108473,102419,89829,89427,81755,114974,106854,98243,98031,83741,99460,100907,100564,106198,104304,101313,99574,109510,82103,79138,90943,101107,78838,98097,85240,81815,109561,108403,83070,98524,103106,73821,101196,87293,109238,119098,91039,91908,89547,89042,94350,93362,98550,75982,78257,103011,109390,99527,98951,102623,94399,107188,117730,77582,76584,91171,89046,92124,98781,94339,92837,103140,99386,107686,94955,99266,99239,91780,93176,84458,93722,102006,125528,80294,85387,85326,89419,97058,100237,92228,126854,134128,130324,130774,126525,127756,127931,125337,127386,127437,114058,110030,113147,109252,105073,103525,101554,105832,100197,97798,100129,97605,96813,93999,94357,95245,95505,95723,47423,44476,48398,{"$f":"AVERAGE(QG3562:RH3562)","v":111224.78571428571}]
["COMPOUND_497_1163a7_24","RP_NEG",null,1906,7.24,497.1163,"no MSMS",{"$nulls":4},"w/o MS2:NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid","[M-H]-","",0.3531915,false,"C25H22O11","","DYFXVIVUWANJGN-UHFFFAOYSA-N","",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_139","497.11661:13037 498.11996:4899 499.12332:1464","","kept","COMPOUND_497_1163a7_24",-0.297621553947546,0.106055122454466,0.957216415181745,null,-0.213914309195995,0.24319662013647,0.624864494141341,-0.0314411029707355,0.86040402320131,0.983621328807634,{"$f":"-LOG10(AO3711)","v":0.007172062606123225},-0.00699837675207382,0.968771893188866,0.988812161651085,0.26618045097681,-0.244973107376134,0.777334009329755,0.311151426973362,0.954519666499599,0.12422417415904,-0.337666561013593,0.586114909331673,0.599123228592656,0.956087598059874,-0.297621553947546,-0.653706736402633,0.0584636285075414,0.106145742590419,0.867799230721491,0.249206237144387,0.276574965243976,0.20691593244392,-0.2649270452741,0.678758910161941,0.393177364719774,0.9759596018926,0.124224174159041,-0.358490703424599,0.606939051742681,0.615059677504442,0.967082092552973,-0.213914309195995,-0.542614540399042,0.114785922007052,0.206595871673846,0.58929605564799,0.208799694519834,0.218905844001593,0.106617724737276,0.218405873715059,0.876553058041495,0.125628311785661,0.148074762868446,0.699859363315837,0.121165938128569,0.161545334379343,0.665558745556658,-0.173567981747805,0.0440902038944306,0.338672029682712,0.0765844693365302,0.377315082129017,0.946517049249861,-0.211657416439533,0.0140869348212511,0.547871553147978,0.0157332904297331,0.855208084427504,0.996797703277145,0.0400767945661324,0.654617476063961,0.997386352465513,-0.0167957467153881,0.848410775830458,0.999284470898712,0.123901955557004,0.149158026686099,0.813801283047037,0.139284832940548,0.104531212437916,0.999579883545101,0.00285311839129721,0.973603634248176,0.994948797387766,0.126826789306709,0.160421574440132,0.998611522381113,-0.0723941871837987,0.400520449561669,0.81540141069093,0.152486761793147,0.0752600438584583,0.675882484091869,0.106617724737276,0.218405873715059,0.876553058041495,0.125628311785661,0.148074762868446,0.699859363315837,0.121165938128569,0.161545334379343,0.665558745556658,-0.173567981747805,0.0440902038944306,0.338672029682712,0.0765844693365302,0.377315082129017,0.946517049249861,-0.211657416439533,0.0140869348212511,0.547871553147978,0.0157332904297331,0.855208084427504,0.996797703277145,0.0400767945661324,0.654617476063961,0.997386352465513,-0.0167957467153881,0.848410775830458,0.999284470898712,0.123901955557004,0.149158026686099,0.813801283047037,0.139284832940548,0.104531212437916,0.999579883545101,0.00285311839129721,0.973603634248176,0.994948797387766,0.126826789306709,0.160421574440132,0.998611522381113,-0.0723941871837987,0.400520449561669,0.81540141069093,0.152486761793147,0.0752600438584583,0.675882484091869,-0.0757706533580737,0.285037091873926,0.50953123856555,-0.0508665480972696,0.474413886423956,0.750212226408493,-0.183777186647254,0.00901400827891255,0.0314825399794053,0.150590907856238,0.0328540023160477,0.0926762473842895,-0.000864276859643897,0.990284542867061,0.997756428317736,0.0199777456344233,0.778875219969647,0.918150438958467,0.248620443369392,0.000336232085156442,0.00281424557134097,0.0578392789255832,0.424302983539089,0.800814746157273,0.242971456558966,0.000562466212124122,0.00435074506437667,0.246826548741681,0.000372340505046199,0.0433025475079167,6.73134438080114E-3,0.923875490275122,0.979899300005406,0.00200621404380397,0.977280579056857,0.997103580503674,0.150128241245849,0.0392143260438032,0.251161127868958,0.041128386725475,0.559174275192322,0.806362627020851,0.128923956261484,0.0660971267590831,0.249662594464935,{"$nulls":8},"COMPOUND_497_1163a7_24",1906,7.24,497.1163,"w/o MS2:NCGC00169854-03!4,4-bis(6,8-dihydroxy-3-methyl-1-oxoisochromen-7-yl)-2-methoxybutanoic acid","[M-H]-","",0.3531915,false,"C25H22O11","","DYFXVIVUWANJGN-UHFFFAOYSA-N","",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_139","497.11661:13037 498.11996:4899 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62.05104:0","","kept","COMPOUND_60_0443a6_19",0.677318053469266,0.00071441780158966,0.169138414526352,null,0.284381701355953,0.141206343660495,0.490927707240021,-0.00560200914128323,0.977827249130909,0.997540294627392,{"$f":"-LOG10(AO4691)","v":1.0695524022367744E-3},-0.220177560310829,0.276909930744485,0.574154721433757,-0.682920062610551,-1.17710770549064,-0.188732419730465,0.00860006467859881,0.913126942819634,0.488549809142844,0.0282676540296195,0.948831964256068,0.0397778491926476,0.812186603348285,0.677318053469268,0.333051845973754,1.02158426096478,0.000263934379613646,0.0648007778688467,-0.661025613686097,-0.666139651456031,-0.504559261666784,-1.08913733471686,0.0800188113832915,0.0954242481054173,0.90973614745643,0.488549809142843,-4.63569052880236E-3,0.981735308814489,0.0545121985702494,0.830664806147494,0.284381701355955,-0.122853240863792,0.691616643575702,0.175737318415987,0.554480096991708,-0.410509740100138,-0.462242093713622,-0.127163205164783,0.141632933743834,0.803034529189086,-0.152083439178718,0.0793930213063532,0.577164399877525,-0.0421984380834924,0.626996366321622,0.895298374550333,0.103298560523191,0.23316228073331,0.657085953185609,-0.126563650450675,0.143535462354669,0.824807528089977,0.0284328678366492,0.744336100691413,0.968793310234236,-0.0592668312008354,0.491484625305662,0.996797703277145,-0.208157498947677,0.0188539076537113,0.37759079708898,-0.0847178508464966,0.334137233883251,0.999284470898712,0.021560439525328,0.802529132156174,0.979489225441379,-0.00789419917894109,0.927052372161537,0.999579883545101,0.0749036465115771,0.384347131525995,0.873080544706939,-0.10575573646377,0.242403357717767,0.998611522381113,0.0433508934470108,0.614966683322262,0.914027294866831,0.0567018391239121,0.510456683705639,0.943914315426593,-0.127163205164783,0.141632933743834,0.803034529189086,-0.152083439178718,0.0793930213063532,0.577164399877525,-0.0421984380834924,0.626996366321622,0.895298374550333,0.103298560523191,0.23316228073331,0.657085953185609,-0.126563650450675,0.143535462354669,0.824807528089977,0.0284328678366492,0.744336100691413,0.968793310234236,-0.0592668312008354,0.491484625305662,0.996797703277145,-0.208157498947677,0.0188539076537113,0.37759079708898,-0.0847178508464966,0.334137233883251,0.999284470898712,0.021560439525328,0.802529132156174,0.979489225441379,-0.00789419917894109,0.927052372161537,0.999579883545101,0.0749036465115771,0.384347131525995,0.873080544706939,-0.10575573646377,0.242403357717767,0.998611522381113,0.0433508934470108,0.614966683322262,0.914027294866831,0.0567018391239121,0.510456683705639,0.943914315426593,-0.00685679225626653,0.923038771648175,0.966290274993626,-0.00149767756471068,0.983207675795653,0.995630718191485,0.0376044136311127,0.596113975015585,0.732203027949226,-0.0719907072790796,0.309821187487878,0.486453020335657,-0.0218279073076936,0.758409100574288,0.895687498255292,-0.0621529525871387,0.381948536909682,0.668283124269221,-0.0511444310902989,0.467547318873123,0.660569999856087,-0.0953014849618147,0.187378919054915,0.62670779738397,-0.0553663119990154,0.438496367176625,0.63843453064218,-0.0248670456542146,0.724055007036489,0.906812892810294,-0.0273001138137971,0.698312160670232,0.930848846387084,-0.0150667405889711,0.830636032683946,0.992962653560884,-0.0789308524405977,0.280317458022001,0.649956078778541,0.0573321772237218,0.415355289632732,0.703472206176643,-0.13551495665792,0.053289010607881,0.219135595161928,1,null,1,null,null,1,1,null,"COMPOUND_60_0443a6_19",4,6.19,60.0443,"w/o MS2:N-Methylformamide","[M+H]+","similar chromatogram in higher mz_81",0.9446809,false,"C2H5NO","","ATHHXGZTWNVVOU-UHFFFAOYSA-N","CNC=O",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_178","60.04433:4812 61.04768:0 62.05104:0","",14887,10330,10225,13473,9846,12843,8906,12722,10667,9182,15726,15778,11898,11740,7305,10173,10556,10606,12515,13562,11750,12717,13797,10169,9079,14199,7774,12038,10963,10210,9711,11780,10903,12317,11254,8410,9622,10610,13100,7451,8605,12043,10001,11808,9638,8291,12755,15520,13195,11130,9658,9116,14878,8342,11309,16132,10780,15001,10062,12740,9255,9589,11156,13075,11585,12630,9291,10330,12226,9511,7748,7807,9373,8901,7802,11534,11466,8189,8781,9890,9317,9926,10188,11060,9217,6688,9905,10982,10422,14786,12007,7237,9063,8387,9323,9979,11097,10997,9359,7984,10694,9168,11760,8544,11122,13460,7876,10076,8302,12164,7490,8998,8826,7224,9084,10091,4415,9956,7878,8863,11131,7577,7282,9595,7224,14150,7701,8902,7296,7696,7424,7761,9332,8317,8262,9883,12044,9829,10634,6896,8553,12020,10193,8006,9808,12631,8521,9710,10321,12084,10672,10527,10996,12734,17963,10574,8346,13789,12632,11022,13353,12643,10958,10971,8978,11800,8362,13418,7331,12261,9719,11764,11610,11962,10092,7295,10371,12821,7914,11691,10765,10707,12857,8732,14039,11593,15539,8771,8230,6964,10756,6762,10003,11751,10646,13200,10211,15930,12819,15874,13127,14267,13970,11318,14980,13346,13300,12220,12611,13210,10654,13817,11203,12466,10145,10878,11635,10114,12036,10459,9374,10869,9647,9556,9430,9455,9518,9857,10763,9844,9715,8871,4791,5696,7277,{"$f":"AVERAGE(QG4691:RH4691)","v":11070.464285714286}]
["COMPOUND_607_2156a9_93","RP_POS",null,8831,9.93,607.2156,"no MSMS",{"$nulls":4},"Unknown","[M+H-2H2O]+","adduct linked to 9479_[M+Na]+",0.1234043,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_047","607.21588:4229 608.21923:1378 609.22259:1787","","kept","COMPOUND_607_2156a9_93",-0.02729183641504,0.871025859438379,0.997039611723942,null,0.328660905763894,0.0537912044691367,0.296657150104748,0.513531218182117,0.010841654723504,0.445264202379391,{"$f":"-LOG10(AO4734)","v":0.35138221916032975},0.630434250823047,0.0020040491222745,0.0374390088504457,0.540823054597158,0.0390158593725458,1.04263024982177,0.0384440558147438,0.913126942819634,-0.188557174695183,-0.643875489960769,0.266761140570402,0.418670850623005,0.933838852213963,-0.0272918364150406,-0.376866056820743,0.322282383990662,0.878851243777024,0.99523549462833,0.517275168700401,0.505398981456097,0.301773345059153,-0.227987514804389,0.831534204922695,0.268266995984192,0.949078295298546,-0.188557174695183,-0.646349184689123,0.269234835298758,0.421117067819179,0.94363168182646,0.328660905763894,-0.0403866913024653,0.697708502830253,0.0855560246725388,0.388193625978275,0.273958838359559,0.218410613478537,-0.0835622100530061,0.335264939795738,0.938187171346499,-0.197038822564813,0.0224929231445533,0.362306287954416,0.0347889322086899,0.688734212769669,0.918416587030797,0.194261909757047,0.0239654152072774,0.256650625862749,-0.104689488018166,0.226895555919488,0.900448086238674,-0.0516578574462292,0.553330648842339,0.944151575592243,0.0643657459434829,0.454910177349392,0.996797703277145,0.00120123070729857,0.989306002767405,0.99846302811506,0.0705525061754242,0.421466667258303,0.999284470898712,0.108052525682069,0.20881974736198,0.842052285004583,-0.0479643838672146,0.577810836520656,0.999579883545101,0.0305980305093942,0.72263275061435,0.966348462164037,-0.0260610010605682,0.773872868773453,0.998611522381113,-0.0685873126522661,0.425813159882095,0.827048179565896,-0.151127110045263,0.0779292856820699,0.681521417924065,-0.0835622100530061,0.335264939795738,0.938187171346499,-0.197038822564813,0.0224929231445533,0.362306287954416,0.0347889322086899,0.688734212769669,0.918416587030797,0.194261909757047,0.0239654152072774,0.256650625862749,-0.104689488018166,0.226895555919488,0.900448086238674,-0.0516578574462292,0.553330648842339,0.944151575592243,0.0643657459434829,0.454910177349392,0.996797703277145,0.00120123070729857,0.989306002767405,0.99846302811506,0.0705525061754242,0.421466667258303,0.999284470898712,0.108052525682069,0.20881974736198,0.842052285004583,-0.0479643838672146,0.577810836520656,0.999579883545101,0.0305980305093942,0.72263275061435,0.966348462164037,-0.0260610010605682,0.773872868773453,0.998611522381113,-0.0685873126522661,0.425813159882095,0.827048179565896,-0.151127110045263,0.0779292856820699,0.681521417924065,0.186758577245701,0.00793922036369546,0.05055628414115,0.0966929678388809,0.173176558766955,0.453863848294526,0.0450433983785175,0.52546757555757,0.675979925940448,0.268406060860818,1.16912285453214E-4,0.000801459710723223,0.165720053275784,0.0187172831052906,0.0980260071667906,0.00925624426774358,0.896498907835636,0.965538791233539,-0.0409718004683265,0.560672533531342,0.738201922684399,-0.0131248527850802,0.856242291847546,0.974205606963044,-0.0293813105764463,0.681143840147777,0.820877169106618,0.00578480605315426,0.934554042090729,0.981357250528598,-0.199590997470545,0.0042088854576001,0.0522485050532417,0.0331287870327059,0.638072605851555,0.971230790567649,0.165107080495899,0.0231837070805349,0.185162402695019,-0.148132596087,0.0344781230233956,0.148799139011777,-0.100923129488216,0.150921887165605,0.404717309878963,null,null,1,{"$nulls":5},"COMPOUND_607_2156a9_93",8831,9.93,607.2156,"Unknown","[M+H-2H2O]+","adduct linked to 9479_[M+Na]+",0.1234043,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_047","607.21588:4229 608.21923:1378 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686.2102:34832","","kept","COMPOUND_684_2034a12_44",0.0192420626103611,0.903220462034811,0.997039611723942,null,-0.24613915987054,0.123115872880939,0.460969206263519,-0.00655496779738908,0.97122676891352,0.997170295122661,{"$f":"-LOG10(AO5202)","v":1.2306672485510807E-3},0.0719189181504149,0.692471299841229,0.875906356390248,-0.0257970304077501,-0.473615699441191,0.42202163862569,0.910448089648022,0.990739331293745,-0.0349092118581023,-0.52991478222385,0.460096358507646,0.890348804633099,0.986551500680899,0.0192420626103611,-0.292722101316012,0.331206226536734,0.904144434680065,0.99523549462833,-0.0274044360770014,-0.000829676847100302,0.318058078020955,-0.174562632212211,0.810678788254121,0.21016259517643,0.9477806377935,-0.0349092118581022,-0.492853643109149,0.423035219392944,0.881499775961593,0.987948797539425,-0.24613915987054,-0.589313794220654,0.0970354744795741,0.164483373310778,0.539515230913977,0.307061089832602,0.313009969966308,-0.095067207483849,0.272730619540777,0.90255610328214,-0.130550028571735,0.132707571608219,0.682927955370437,0.123583276217293,0.153281534153407,0.656397474097504,-0.0269932556420109,0.755972839393311,0.94221180606361,-0.148020854889548,0.0866563721274098,0.760979140406053,0.119640743249252,0.168537674882305,0.79905841563278,0.0723791186675433,0.400618770510471,0.996797703277145,0.0478417381767593,0.593255580451132,0.997386352465513,0.0977916036306646,0.264623414135328,0.999284470898712,0.0571601330393932,0.50703934087678,0.93535553413228,-0.0623937769312643,0.468872304438749,0.999579883545101,0.0157566206103446,0.854995730491602,0.983782956451517,0.128757000454558,0.154100542589431,0.998611522381113,0.158156128202203,0.0649149184168496,0.354366528700395,0.109519462703094,0.202669472925317,0.846333790746955,-0.095067207483849,0.272730619540777,0.90255610328214,-0.130550028571735,0.132707571608219,0.682927955370437,0.123583276217293,0.153281534153407,0.656397474097504,-0.0269932556420109,0.755972839393311,0.94221180606361,-0.148020854889548,0.0866563721274098,0.760979140406053,0.119640743249252,0.168537674882305,0.79905841563278,0.0723791186675433,0.400618770510471,0.996797703277145,0.0478417381767593,0.593255580451132,0.997386352465513,0.0977916036306646,0.264623414135328,0.999284470898712,0.0571601330393932,0.50703934087678,0.93535553413228,-0.0623937769312643,0.468872304438749,0.999579883545101,0.0157566206103446,0.854995730491602,0.983782956451517,0.128757000454558,0.154100542589431,0.998611522381113,0.158156128202203,0.0649149184168496,0.354366528700395,0.109519462703094,0.202669472925317,0.846333790746955,-0.289712916722874,3.02482718656872e-05,0.00263836571312685,-0.13549136574284,0.0557534964982527,0.256481610220029,-0.409630393610141,1.55688356531698e-09,5.79807930027317e-08,-0.00947017629471568,0.893854471631907,0.943829450851849,-0.120825598016547,0.0875287585249901,0.275250540921328,0.107166506435705,0.1309371220881,0.417098597944265,0.217465994023574,0.00178151323020007,0.0110784720478389,-1.22596863204491E-4,0.998649895290581,0.999453968575524,0.222153689037051,0.00165753146482049,0.0105045660423471,0.192571635118056,0.00578991520937194,0.126671115257183,0.0519192469845218,0.460820741773268,0.829689204103353,0.0406277929217325,0.563970847726654,0.965807960343766,0.162005971287497,0.0259357697801949,0.197618641233232,0.00141901519547049,0.983929249739745,0.997679621393117,0.0918577379539788,0.191316873617337,0.461200976708455,{"$nulls":8},"COMPOUND_684_2034a12_44",9659,12.44,684.2034,"w/o MS2:[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1S,4aR,6aS,6bR,8R,10R,11R,12aR,14bS)-1,8,10,11-tetrahydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","[M+H]+","",0.9957447,false,"C36H58O11","","DRZYJIXQEOTQDA-VETDSPFISA-N","",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_001","684.20349:62642 685.20684:45986 686.2102:34832","",19220,26383,24223,24770,22510,18162,22653,26483,22398,24500,23830,20428,24970,19651,23823,28429,25757,27076,24613,20529,21736,19697,21393,20910,18948,24161,18757,20772,24081,24522,26868,23723,22988,19365,19779,23302,27207,17678,21679,21816,24707,24612,27489,23220,18917,21039,23046,24321,17377,24785,22022,27084,23368,24766,27070,27389,25181,24050,22030,25977,23769,24239,25086,20153,26547,24325,18844,24295,23876,25184,18836,19668,18207,22620,22250,16972,17140,22585,19050,20676,15304,25179,19575,21493,23723,20840,24320,18023,20918,15090,19177,20239,27431,25203,21923,21915,18162,18228,16740,24311,22525,24191,17288,27930,18823,17675,20579,18237,19091,17714,25616,18660,25065,18453,22070,21788,12119,16795,21797,17847,19728,15981,22452,20953,17224,19950,24567,23042,27813,22873,22454,21451,21903,21473,24374,23373,21963,26542,23452,22308,23246,21883,17991,22817,17810,22999,19053,27182,21841,24183,16242,15241,26890,24308,24378,25147,20660,28350,22498,25769,21813,22970,20928,23995,23680,24200,25215,20804,24524,22969,22316,25395,26168,19580,22837,20497,22487,18044,21193,19075,23206,22894,22748,24608,23053,22637,23797,21696,19855,21463,20745,26238,25019,21280,26080,25725,26915,23225,24261,22089,23542,24433,22988,20739,377417,28039,29196,25808,27994,26259,26609,25466,27645,27501,25330,23719,23672,25295,24899,26112,23552,23023,23276,24922,25809,25567,25947,26757,26218,25750,25582,26629,13770,14541,13273,{"$f":"AVERAGE(QG5202:RH5202)","v":38356.892857142855}]
["COMPOUND_716_3493a0_79","HILIC_POS",null,1465,0.79,716.3493,{"$nulls":5},"Unknown","[M+H]+","",0.6680851,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180709MR_Grainmark_Hilic_pos_124","716.35004:3338 717.35339:1260 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832.16034:23 888.63495:41 894.71417:36 908.29602:22 914.07025:23 914.66888:21 915.40289:11 927.41516:16 953.67236:52 954.42767:31","kept","COMPOUND_956_5176a12_35",0.0631453685755102,0.647597611970666,0.997039611723942,null,-0.0476761806020782,0.72991611785705,0.926227784317455,-0.0992987723321509,0.539928530880926,0.926855979430317,{"$f":"-LOG10(AO6555)","v":0.03298774395467971},-0.0970461373296513,0.54913533578579,0.795241022145746,-0.162444140907661,-0.52338035617718,0.198492074361857,0.380919930528022,0.954519666499599,0.124249757316862,-0.340437120590819,0.588936635224544,0.601541626798788,0.956210873233548,0.0631453685755102,-0.188293824145811,0.314584561296831,0.624199280344961,0.99523549462833,-0.218928696783591,-0.260481409536528,-0.0493699567275733,-0.471937576197421,0.373197662742275,0.819585556712627,0.993693246601567,0.124249757316862,-0.359547473883206,0.60804698851693,0.615869318402941,0.967082092552973,-0.0476761806020784,-0.342049692083407,0.246697330879251,0.751917830439186,0.935883840912963,-0.0556836099107282,-0.067399160702198,0.0772354774052244,0.373261190207245,0.949564502160092,0.0460079293070125,0.597589296182748,0.938983371103596,0.109590716369394,0.205762633549109,0.716146138827412,0.0445072675387624,0.608249979705005,0.900397095124729,0.0479689465292674,0.580616629860117,0.989996890417115,0.0923682914197315,0.288465400836947,0.864302002950528,0.0639053355065892,0.458149141759337,0.996797703277145,-0.034518722724496,0.70003378945903,0.997386352465513,0.0697450216832523,0.426813521008507,0.999284470898712,0.14407791557768,0.0930132090892205,0.764973212701973,-0.0846364539961985,0.325443516176675,0.999579883545101,-0.01919667312413,0.823805542546902,0.979728550689525,0.026753227955547,0.7680343823971,0.998611522381113,0.127456462056107,0.137747687745209,0.524184513239375,0.0832830754803726,0.33326725772036,0.914598019073929,0.0772354774052244,0.373261190207245,0.949564502160092,0.0460079293070125,0.597589296182748,0.938983371103596,0.109590716369394,0.205762633549109,0.716146138827412,0.0445072675387624,0.608249979705005,0.900397095124729,0.0479689465292674,0.580616629860117,0.989996890417115,0.0923682914197315,0.288465400836947,0.864302002950528,0.0639053355065892,0.458149141759337,0.996797703277145,-0.034518722724496,0.70003378945903,0.997386352465513,0.0697450216832523,0.426813521008507,0.999284470898712,0.14407791557768,0.0930132090892205,0.764973212701973,-0.0846364539961985,0.325443516176675,0.999579883545101,-0.01919667312413,0.823805542546902,0.979728550689525,0.026753227955547,0.7680343823971,0.998611522381113,0.127456462056107,0.137747687745209,0.524184513239375,0.0832830754803726,0.33326725772036,0.914598019073929,-0.0178089509686478,0.801867715861703,0.905722266343086,0.0623617152096309,0.380348641354461,0.673398595291789,-0.31246035022289,6.30646329551707e-06,7.20785261827288E-5,0.177177514427749,0.0118628598339472,0.0400197953380337,0.10777939623172,0.127772127590903,0.350145280611864,0.1661973787964,0.0186710204528568,0.154519593735316,0.258084430261251,1.93873744821077E-4,1.77757822187956E-3,-0.0114566948762166,0.874352189029981,0.977056672470852,0.262661917714929,0.000185169329180654,0.00172815694591925,0.0359213656250426,0.610001202150022,0.856687727108645,-0.0764918598532623,0.276858779113466,0.692170648289149,0.0346405335360463,0.622808977414618,0.971230790567649,0.0850585215782582,0.24453990703858,0.61872329914456,-0.07205280349426,0.30577485923411,0.595645472190101,0.0758988842798384,0.280610587325673,0.56991779922788,{"$nulls":8},"COMPOUND_956_5176a12_35",3608,12.35,956.5176,"Unknown","[M+FA-H]-","adduct linked to 3571_[M+Cl]-",0.9744681,true,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_233","956.5177:10607 957.52105:6746 958.52441:2551","20.28056:28 21.56186:11 21.59573:25 22.59935:19 23.24591:17 23.611:24 26.65504:9 29.0772:41 29.41118:44 31.3146:16 31.60984:16 31.81:26 33.17462:19 33.4501:24 38.48987:67 38.50938:22 39.39587:32 41.9162:16 47.58015:35 55.71884:5 65.85667:38 66.23483:42 66.26647:15 67.73456:24 70.13845:7 76.32765:16 81.6593:38 87.85124:47 91.41551:26 91.89745:13 94.81229:8 97.48793:27 97.71773:25 98.06494:33 98.91264:19 101.35451:29 118.02422:26 120.31075:36 124.13593:17 128.82491:9 131.95264:24 139.96706:29 140.67632:12 142.12013:8 149.64951:19 151.2847:31 152.49559:16 164.20328:14 165.86514:22 168.93332:30 170.87431:21 174.72586:23 181.94472:19 183.53575:26 184.02219:16 184.25064:33 185.44957:54 186.80525:28 193.82375:143 193.88313:5 195.42865:25 197.00093:5 197.55763:24 204.49039:16 221.27849:15 237.12782:42 250.13213:14 263.93994:25 278.02609:12 293.46295:51 296.26071:16 310.84167:40 313.72552:13 341.00143:25 342.25174:11 344.07343:21 360.02985:28 360.37607:6 369.61209:21 382.31384:35 394.96088:37 402.95715:12 410.68634:25 413.80896:28 419.91837:37 426.23477:136 430.10339:20 441.07858:20 442.42465:14 445.57614:27 446.38312:87 452.10217:10 452.23282:106 458.25574:24 461.41916:43 476.04947:20 481.51425:33 488.48697:18 491.72266:8 498.86441:26 499.33832:61 499.42001:29 505.10785:22 507.24176:70 507.29041:6 522.4032:31 527.74084:9 539.52667:185 539.59424:13 539.66681:6 596.13342:24 596.7749:30 612.60645:8 625.51917:14 625.75055:19 628.30396:13 632.54205:34 638.76025:24 642.68616:44 653.54669:18 658.11554:8 666.56561:22 688.58167:22 698.02393:67 698.93964:60 713.45013:23 723.289:32 742.38562:6 750.14429:12 753.99921:29 761.03241:17 769.05933:29 772.39655:74 789.36023:25 801.26605:13 832.16034:23 888.63495:41 894.71417:36 908.29602:22 914.07025:23 914.66888:21 915.40289:11 927.41516:16 953.67236:52 954.42767:31",115014,126197,121670,128242,104663,113122,143776,159915,134430,146347,138327,126687,125437,123791,116343,158790,133385,146198,129600,139100,161764,157334,153245,148394,150391,158697,148756,143146,134176,130495,155943,138172,152891,134966,141031,166052,170202,156750,143003,155611,157015,162426,158405,145002,128381,163139,161745,142650,134798,143500,157812,150309,141366,149000,151588,148066,171163,156554,148382,156914,153831,168590,149092,144847,148456,153457,153333,144794,142300,166063,131093,153936,147793,159824,170194,138156,123679,164312,144259,159831,117061,151816,155363,144692,152948,167531,172592,151807,129767,123503,159596,151158,158983,181217,153267,130832,131199,137118,133978,168952,186604,137305,134316,171814,129774,147998,158706,172228,158835,118528,151320,139712,171262,142643,152521,152219,121765,147052,150087,143430,143777,137347,176168,161105,150720,157343,165118,171160,174548,156802,163173,171518,143571,149868,186517,158225,164835,153484,154991,173080,136871,158271,138724,167293,141257,147895,146294,184823,156631,167721,154927,131522,153492,146944,157603,153467,116055,154912,157964,187138,145394,162163,180425,181296,197014,193275,171813,157639,181022,169445,190448,190579,169074,166924,191675,171792,173069,149195,144679,167282,164784,171529,159198,186754,183081,180131,165933,168284,148949,178680,155043,178201,166190,164502,184572,173154,188257,171363,158844,150162,175039,173551,173970,153860,82688,100876,107480,104124,110105,115144,116700,117920,119472,121967,132364,141276,152142,157173,158557,158440,158959,162505,159027,170467,159844,161864,161540,176182,181376,176209,171213,168510,78473,88726,87227,{"$f":"AVERAGE(QG6555:RH6555)","v":143004.42857142858}]
["COMPOUND_995_6106a10_13","RP_NEG",null,3710,10.13,995.6106,{"$nulls":5},"Unknown","[M-H]-","adduct linked to 3667_[M-H2O-H]-",1,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_026","995.61023:49066 996.61358:37659 997.61694:13329","","kept","COMPOUND_995_6106a10_13",-0.0375730452494147,0.773269832680107,0.997039611723942,null,0.171507523233056,0.191153658064526,0.566960894545748,0.33623247304067,0.0172056488139785,0.49672457698184,{"$f":"-LOG10(AO6638)","v":0.3038843514130014},0.191447099439023,0.168526450855002,0.440231235622784,0.373805518290085,0.0610038740542069,0.686607162525963,0.0221964941384189,0.913126942819634,0.195939265534714,-0.236187991143774,0.628066522213203,0.376656093526165,0.923500035379039,-0.0375730452494147,-0.255480225469169,0.18033413497034,0.736473184085234,0.99523549462833,0.568628710871878,0.522297522011704,0.0199395762059679,-0.366436642485185,0.406315794897121,0.91974030492801,0.999514070660627,0.195939265534717,-0.294816397418055,0.68669492848749,0.43596717523987,0.945098357726841,0.171507523233056,-0.0976539529626095,0.440668999428721,0.216122989568441,0.599299793212669,0.0245318336459661,0.0142205385400806,-0.12936164423231,0.134820405396185,0.795252039530312,-0.226749627730563,0.00842278368734333,0.253094975132848,0.00183539580665062,0.983144278749672,0.996451526285183,0.168779953130057,0.0503624378363886,0.364070447565343,-0.144160963904621,0.0952861809879246,0.77826080065714,-0.0659512699962237,0.448981840145907,0.917198972663206,0.0560388671045169,0.51542123206358,0.996797703277145,-0.024899766322729,0.781108511788428,0.997386352465513,0.0350312681141859,0.690060466264627,0.999284470898712,0.0244796083036719,0.776453531768235,0.975588304992654,-0.0598021683304327,0.487572752025175,0.999579883545101,-0.0280722221585094,0.744703932534988,0.966558869546014,0.0698414024857879,0.44083362060254,0.998611522381113,0.052548542378436,0.541960590944166,0.881016136047713,-0.098377522302345,0.252745769774955,0.879423698619932,-0.12936164423231,0.134820405396185,0.795252039530312,-0.226749627730563,0.00842278368734333,0.253094975132848,0.00183539580665062,0.983144278749672,0.996451526285183,0.168779953130057,0.0503624378363886,0.364070447565343,-0.144160963904621,0.0952861809879246,0.77826080065714,-0.0659512699962237,0.448981840145907,0.917198972663206,0.0560388671045169,0.51542123206358,0.996797703277145,-0.024899766322729,0.781108511788428,0.997386352465513,0.0350312681141859,0.690060466264627,0.999284470898712,0.0244796083036719,0.776453531768235,0.975588304992654,-0.0598021683304327,0.487572752025175,0.999579883545101,-0.0280722221585094,0.744703932534988,0.966558869546014,0.0698414024857879,0.44083362060254,0.998611522381113,0.052548542378436,0.541960590944166,0.881016136047713,-0.098377522302345,0.252745769774955,0.879423698619932,-0.117959245200157,0.095363697954647,0.255647021834253,-0.138129087633445,0.0511098568087525,0.245763573403137,-0.0604982592286329,0.39357984551903,0.55909741394443,0.107193039402973,0.129870491654136,0.261357464837664,-0.0918188580939756,0.194845134470517,0.450044737423366,0.000824801569740569,0.99075165260243,0.99555748144634,-0.132129701016939,0.0595837666378868,0.166281771631714,-0.0221581695614398,0.759704390782288,0.95590995605087,-0.127533064925212,0.0733726913949081,0.196104495325244,0.066818043083141,0.342341003279497,0.688446933986663,-0.0796406288927562,0.25750600480629,0.671785637883076,0.0686856230404111,0.32898911365527,0.928819776158766,0.200440634524326,5.68453377282057E-3,0.0810530749162495,-0.104075834811204,0.138502164426148,0.37182180177029,0.006840494734103,0.922644928437839,0.974927355915238,null,null,1,{"$nulls":5},"COMPOUND_995_6106a10_13",3710,10.13,995.6106,"Unknown","[M-H]-","adduct linked to 3667_[M-H2O-H]-",1,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_026","995.61023:49066 996.61358:37659 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999.62707:2035","",3596,11933,7937,7872,11453,9112,12705,11988,12795,15135,14239,13028,7566,6967,14159,7864,9838,8736,4940,4070,5827,10709,9414,5972,8939,6663,9950,10925,10700,7090,8455,5082,8574,8651,12990,6893,7436,8017,6117,7854,8818,7130,13929,6614,16951,10522,11279,8103,8044,11042,7108,10052,6755,6195,6256,10824,8383,4916,7893,7755,10483,5490,8302,3105,6802,6257,6622,9799,6358,8909,7294,18596,6430,7524,4800,12990,9413,12371,11843,9430,13762,15862,12703,8572,7033,9497,6013,15416,7038,10198,9817,13928,10202,8146,9871,6918,14871,18307,4681,8274,10489,10360,13751,8905,12342,9992,10236,7043,15380,7681,9567,11008,8403,7425,9038,9411,4695,7637,9137,12781,10011,5544,8351,7307,6354,12263,11877,6868,6939,19150,9293,11621,7494,4787,12034,9797,9773,10454,10046,10335,11687,7181,6029,7571,6219,7607,9103,7644,8878,10325,9569,10264,7622,5970,6817,10464,4580,8060,8625,9770,8217,7152,8328,13274,12418,7443,7768,5164,9602,4965,5819,7477,9771,10244,4839,8357,8621,4951,3534,8276,6341,8021,7469,7781,9485,8365,8805,7314,3784,8335,6067,6092,6257,5430,10479,6683,11989,4002,12273,5571,11267,3272,6298,7695,6168,7980,5612,7468,7280,8630,7570,7671,8027,8534,8168,8778,10497,10013,8727,9488,7871,8996,8710,7599,9025,9176,9950,8261,7180,8569,8973,8664,4183,3707,3678,{"$f":"AVERAGE(QG6641:RH6641)","v":8342.32142857143}]
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999.63147:838","","kept","COMPOUND_997_6259a10_3",0.13998063155806,0.263756923590003,0.997039611723942,null,0.367632859683221,0.00423750919846266,0.0662510577278514,0.355122197406035,0.0119267329866827,0.447358963562722,{"$f":"-LOG10(AO6642)","v":0.34934385643886867},0.28129517830576,0.0444526086557317,0.20696052106659,0.215141565847974,-0.144304538649101,0.57458767034505,0.244968252527258,0.949234766590222,0.0151151865463848,-0.43550786530379,0.46573823839656,0.947728241585661,0.994107061369817,0.13998063155806,-0.110420504482225,0.390381767598345,0.277205359947662,0.952691408775785,0.285273926582582,0.304206593290826,-0.0863376813774615,-0.437945634417567,0.265270271662644,0.631915648879521,0.983403413428954,0.0151151865463834,-0.478668072220023,0.50889844531279,0.952299721388687,0.994601343685295,0.367632859683221,0.122692019372186,0.612573699994255,0.00449835639918867,0.0806394193884084,-0.117224406057226,-0.0715691181576229,-0.025273501530903,0.771076262088687,0.995747712188334,-0.103777411605732,0.232759457208856,0.779859960399391,-0.0693611724767204,0.42407399094416,0.821810914159122,0.177001876250038,0.0400050304878347,0.322851366744802,-0.00416469182394838,0.961764394041062,0.999675701925871,-0.136978269303124,0.114512438873287,0.755318182467622,0.0940923005944808,0.274104337926544,0.996797703277145,0.0116927192374156,0.896193128243842,0.997386352465513,0.0693174491040058,0.42966049567081,0.999284470898712,0.0703735917854129,0.413832254944213,0.920189533732227,-0.1490572303795,0.0821386529679173,0.999579883545101,-0.0676652383369114,0.432075195789747,0.887827879983154,0.114737866291381,0.204468825295646,0.998611522381113,-0.100659737144259,0.24185132152504,0.680489138535437,-0.102235790708581,0.23452127072551399,0.870829469713266,-0.025273501530903,0.771076262088687,0.995747712188334,-0.103777411605732,0.232759457208856,0.779859960399391,-0.0693611724767204,0.42407399094416,0.821810914159122,0.177001876250038,0.0400050304878347,0.322851366744802,-0.00416469182394838,0.961764394041062,0.999675701925871,-0.136978269303124,0.114512438873287,0.755318182467622,0.0940923005944808,0.274104337926544,0.996797703277145,0.0116927192374156,0.896193128243842,0.997386352465513,0.0693174491040058,0.42966049567081,0.999284470898712,0.0703735917854129,0.413832254944213,0.920189533732227,-0.1490572303795,0.0821386529679173,0.999579883545101,-0.0676652383369114,0.432075195789747,0.887827879983154,0.114737866291381,0.204468825295646,0.998611522381113,-0.100659737144259,0.24185132152504,0.680489138535437,-0.102235790708581,0.23452127072551399,0.870829469713266,-0.00564215607569852,0.936640410284458,0.971824899010122,-0.0476662250490614,0.502693312943986,0.770080110458438,-0.0930720458756955,0.188796155110465,0.331120426911662,0.240139050168552,0.000595384622055678,0.00322979104714164,0.0317720115686941,0.654333814548525,0.842010157654721,0.110443559038902,0.119497957650214,0.397562879408515,0.0273186948947619,0.698116840403671,0.837356552125199,0.0386545558877293,0.593537099327668,0.892999870958491,0.0342955508517812,0.631464312395532,0.787133683127112,0.0782940826100032,0.265664949496359,0.61555153799768,-0.0147840846641952,0.833766868586408,0.966772882955973,0.0400543940780284,0.569489073154625,0.966251104669058,0.294412403158549,3.91967725437421e-05,0.00282429788252681,-0.0448664026371452,0.523992180979126,0.785200482948935,-3.65679615737384E-3,0.958601418637356,0.984136410739822,null,1,null,null,1,{"$nulls":3},"COMPOUND_997_6259a10_3",3714,10.3,997.6259,"Unknown","[2M-H]-","adduct 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999.63153:1413","","kept","COMPOUND_997_6262a10_16",-0.0296699191144618,0.837436578810585,0.997039611723942,null,0.198645763754271,0.172429325060527,0.539871014441076,0.195245374779007,0.21167343341424,0.813258355400534,{"$f":"-LOG10(AO6643)","v":0.08977146609012315},0.007609675921617,0.960936485548558,0.985841651330425,0.224915293893469,-0.165146570040458,0.614977157827395,0.262506219172748,0.949234766590222,0.29497451320912,-0.14756037694738,0.73750940336562,0.194526490701044,0.86847063339571,-0.0296699191144614,-0.301398928368034,0.242059090139111,0.831201201863232,0.99523549462833,0.274129493791797,0.269636125613756,-0.191036087832654,-0.591122952664765,0.209050776999456,0.352758884221936,0.970348220692963,0.29497451320912,-0.190209609247427,0.780158635665668,0.236489626044848,0.910693647964482,0.198645763754271,-0.0800669673488462,0.477358494857389,0.167117974963263,0.543317830324411,-0.226973672820189,-0.166150275715193,-0.0972651519040191,0.261746247522997,0.897736643368734,-0.169014504628575,0.0509117045618174,0.491000503637196,0.0228163126888802,0.792804456388354,0.9480604757479,0.087651153511958,0.31206844443638,0.734885157431177,-0.115771730343371,0.181177479723852,0.861400797800582,-1.43422954870826E-3,0.986877885657768,0.999159510297027,0.041072865853658,0.633688394368672,0.996797703277145,-0.0137849565235132,0.877751756608796,0.997386352465513,0.0305747137982597,0.727827389319991,0.999284470898712,3.07415843221531E-3,0.971559450763552,0.994666810673604,-0.0295641717687115,0.731640505465505,0.999579883545101,-0.0206106700080078,0.811061620528693,0.977688435059512,-0.0158045316617619,0.861692334775242,0.998611522381113,0.0885589129532215,0.303441398405475,0.739476167558059,-0.0944863134783193,0.272091063584582,0.887853143501041,-0.0972651519040191,0.261746247522997,0.897736643368734,-0.169014504628575,0.0509117045618174,0.491000503637196,0.0228163126888802,0.792804456388354,0.9480604757479,0.087651153511958,0.31206844443638,0.734885157431177,-0.115771730343371,0.181177479723852,0.861400797800582,-1.43422954870826E-3,0.986877885657768,0.999159510297027,0.041072865853658,0.633688394368672,0.996797703277145,-0.0137849565235132,0.877751756608796,0.997386352465513,0.0305747137982597,0.727827389319991,0.999284470898712,3.07415843221531E-3,0.971559450763552,0.994666810673604,-0.0295641717687115,0.731640505465505,0.999579883545101,-0.0206106700080078,0.811061620528693,0.977688435059512,-0.0158045316617619,0.861692334775242,0.998611522381113,0.0885589129532215,0.303441398405475,0.739476167558059,-0.0944863134783193,0.272091063584582,0.887853143501041,-0.0626289193540838,0.377102354223962,0.597612121958079,-0.108633518910371,0.125716167780633,0.385902259603124,-0.00948983695400344,0.893635405910063,0.940452310807717,0.133698239742699,0.0584667715610838,0.143759728738288,-0.0578256064121266,0.414849678759334,0.682900054754314,0.0171171662711398,0.809885623284168,0.92916784298213,-0.179057260439132,0.0103928351109128,0.0453056224694245,-0.0390625207884629,0.589642231008753,0.891180759086411,-0.168081944614702,0.0179323182345934,0.0682395738100571,-0.0186537288467288,0.791152416692062,0.934028223422356,-0.15908972047668,0.0230389866058402,0.177175687018695,0.0678589339349833,0.334857488823208,0.932380928643276,0.159653310584641,0.0282063440680636,0.20798649035283,-0.0924750526242857,0.188337724381063,0.44925900500974,-0.0204679927399041,0.771376017147924,0.920347663368176,{"$nulls":8},"COMPOUND_997_6262a10_16",12460,10.16,997.6262,"Unknown","[M+H]+","adduct 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999.63153:1413","",3110,16276,7949,7710,26868,8259,13946,9544,21203,19591,12531,14827,8114,5561,26598,9952,15161,8225,2672,3610,3904,8781,7888,4120,9726,4521,8813,14994,12783,8070,7911,3099,5983,6017,16867,5145,6072,3831,5571,6159,6575,6958,19320,3936,19327,8568,14104,7227,6257,11334,4895,9699,5674,3075,3112,9847,6022,2679,6797,8343,7954,4066,4501,2183,5109,5852,3596,8979,2671,5376,4381,18998,5499,6862,3388,9297,5968,6763,6605,6792,8513,12573,10636,5813,3901,3243,3653,9948,2917,5157,5738,10048,4117,4954,4162,3419,9756,12171,1794,6382,6554,6834,9286,4290,8886,9634,7013,3083,11539,4147,5420,9108,3502,3285,7226,3975,2262,4659,9298,7659,5013,4458,3239,3522,3171,8538,9168,2417,2098,8740,5736,5551,5564,2184,6768,5397,4927,7511,6025,9718,9059,4052,2649,4083,3066,4489,4675,2682,4269,5533,5988,6123,2771,2789,2246,5191,1057,5281,4644,3174,3699,4165,3816,9072,5613,3367,3768,1136,3511,2614,2305,3793,7215,3902,1320,5376,5536,1651,1917,3539,2984,5370,3850,3572,2634,2057,4273,3770,1083,4235,2853,2585,3232,1974,4161,1959,4593,1340,5697,2786,6312,2266,1917,3111,6576,11411,6931,9176,8173,9123,8873,9247,9548,9678,8718,7770,8059,6461,5950,7620,5398,4943,5546,3880,4049,4783,4648,3282,3353,3880,3980,3497,1063,884,1834,{"$f":"AVERAGE(QG6643:RH6643)","v":6591.178571428572}]
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999.90008:3365","","kept","COMPOUND_997_8961a11_22",-0.225574094978006,0.323882188965229,0.997039611723942,null,0.11540412652913,0.612825918389539,0.884275786478802,-0.260860223843225,0.293991016334216,0.863904466287481,{"$f":"-LOG10(AO6644)","v":0.06353428073655006},-0.355620087703466,0.154050842892888,0.419163626963039,-0.0352861288652191,-0.681771983819095,0.611199726088656,0.915131225123013,0.990739331293745,0.168222477511643,-0.315049845066153,0.65149480008944,0.496292886136309,0.94379200150172,-0.225574094978006,-0.675935889108237,0.224787699152225,0.329836036290992,0.980671031273004,-0.0261387583436528,0.20337648939478,-0.471024214232596,-1.15600503464556,0.213956606180368,0.182343421196052,0.9477806377935,0.168222477511644,-0.322568331021549,0.659013286044837,0.502890131115322,0.957252031998866,0.11540412652913,-0.361774436407858,0.592582689466117,0.637056408666231,0.898551125623085,-0.327088863209765,-0.0778042608124205,0.147854718163933,0.0870144998180488,0.738285022628315,0.166963157904521,0.0538316938198095,0.49283022246383,0.107857518343913,0.21306791056252,0.718426845940459,-0.100606521027111,0.245633527278429,0.666276939358288,0.126918940334021,0.142405718295885,0.822301451988151,0.109146063912059,0.209342909418849,0.81744529134531,2.18327628869355E-3,0.979799342011879,0.997872055942583,-0.0340368231926547,0.704024790200354,0.997386352465513,-0.0071272728754791,0.935355808744744,0.999284470898712,-0.0387265925786762,0.653216342374602,0.958851003897528,-0.0482008486275586,0.5759348849693,0.999579883545101,-0.0910425995520344,0.290027400751427,0.809171565480308,-0.117907335348871,0.192159389716196,0.998611522381113,0.0129522003295209,0.880591957379794,0.977606785029407,0.0426941136231148,0.620339673926249,0.963728595139379,0.147854718163933,0.0870144998180488,0.738285022628315,0.166963157904521,0.0538316938198095,0.49283022246383,0.107857518343913,0.21306791056252,0.718426845940459,-0.100606521027111,0.245633527278429,0.666276939358288,0.126918940334021,0.142405718295885,0.822301451988151,0.109146063912059,0.209342909418849,0.81744529134531,2.18327628869355E-3,0.979799342011879,0.997872055942583,-0.0340368231926547,0.704024790200354,0.997386352465513,-0.0071272728754791,0.935355808744744,0.999284470898712,-0.0387265925786762,0.653216342374602,0.958851003897528,-0.0482008486275586,0.5759348849693,0.999579883545101,-0.0910425995520344,0.290027400751427,0.809171565480308,-0.117907335348871,0.192159389716196,0.998611522381113,0.0129522003295209,0.880591957379794,0.977606785029407,0.0426941136231148,0.620339673926249,0.963728595139379,0.138423942529694,0.0500305217662192,0.171396552345358,0.11711565835755,0.0986217411614823,0.340398976030543,0.110634019737006,0.117928208632524,0.233426722909824,-0.0421114031248152,0.552798399604333,0.710725483122018,0.0918518310272123,0.194684192078356,0.44998657924945,0.0519962522280342,0.46464250098575,0.7271129835517,-0.0316909168531596,0.652733140154444,0.808930264738046,-0.0573668212042746,0.428103533913469,0.800814746157273,-0.0155198853039963,0.82819704039428,0.91471861543992,-0.0726638945479439,0.301680348676992,0.65035415654627,-0.045643452978449,0.516822645327214,0.859944105390085,-0.136273180506581,0.0519574428477003,0.680547654296919,-0.0822034583467497,0.260793387861049,0.634676053372199,0.118766509111264,0.0906660122435731,0.281216536959358,0.0462846300679664,0.510944974920365,0.777560660869398,{"$nulls":8},"COMPOUND_997_8961a11_22",12462,11.22,997.8961,"Unknown","[M+H]+","",0.1319149,false,"No 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["COMPOUND_998_6861a10_94","RP_NEG",null,3718,10.94,998.6861,"no MSMS",{"$nulls":4},"Unknown","[3M-H]-","adduct linked to 2619_[2M-H]-",0.1787234,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_199","998.68402:4155 999.68737:3802 1000.69073:1406","","kept","COMPOUND_998_6861a10_94",-0.0862587284337723,0.643033822356867,0.997039611723942,null,-0.523321423287155,0.0062109982625046,0.0825104358359579,-0.129321129058259,0.5041086888707,0.917551992867747,{"$f":"-LOG10(AO6648)","v":0.0373693171839957},-0.546262582621697,0.00607736719579699,0.0697004621815541,-0.0430624006244871,-0.54514565364314,0.459020852394166,0.867017797212048,0.990739331293745,-0.0593212498595534,-0.513247372168328,0.394604872449221,0.798303437557024,0.981961325877505,-0.0862587284337724,-0.436025259131271,0.263507802263726,0.630438146389752,0.99523549462833,-0.0407804184805356,-0.0759423856681298,-0.0229411593345431,-0.570380174558879,0.524497855889793,0.934788030456983,0.999514070660627,-0.0593212498595538,-0.547635509884839,0.428993010165732,0.812223841514307,0.985293481384123,-0.523321423287155,-0.904684163375117,-0.141958683199193,0.00905140901458048,0.110219149991119,-0.019949728527576,-0.0407687750746984,-0.0346659430952796,0.689777945744384,0.995747712188334,0.0303511443062531,0.727743647972506,0.968095908531277,-0.0974795090615793,0.260691396800655,0.739999468521746,-0.0575123514966872,0.507607269423565,0.856651881112222,-0.00490638983842375,0.954961555177675,0.999675701925871,0.193625652123895,0.0249847560210642,0.565737984951481,-0.10108229446588,0.239870595375168,0.996797703277145,-0.0809066430031945,0.365868123725638,0.997386352465513,-0.0764476302329092,0.383623984140507,0.999284470898712,-0.117880965280061,0.170092258340492,0.823710138992028,-4.66107645602772E-3,0.956889821599696,0.999579883545101,0.0106764028786238,0.901455723452617,0.988910391054296,0.0396632266589257,0.66184299121839,0.998611522381113,0.288703586223189,0.000623043503799168,0.011315494210095,0.0927342376115672,0.281120574683646,0.891649899319563,-0.0346659430952796,0.689777945744384,0.995747712188334,0.0303511443062531,0.727743647972506,0.968095908531277,-0.0974795090615793,0.260691396800655,0.739999468521746,-0.0575123514966872,0.507607269423565,0.856651881112222,-0.00490638983842375,0.954961555177675,0.999675701925871,0.193625652123895,0.0249847560210642,0.565737984951481,-0.10108229446588,0.239870595375168,0.996797703277145,-0.0809066430031945,0.365868123725638,0.997386352465513,-0.0764476302329092,0.383623984140507,0.999284470898712,-0.117880965280061,0.170092258340492,0.823710138992028,-4.66107645602772E-3,0.956889821599696,0.999579883545101,0.0106764028786238,0.901455723452617,0.988910391054296,0.0396632266589257,0.66184299121839,0.998611522381113,0.288703586223189,0.000623043503799168,0.011315494210095,0.0927342376115672,0.281120574683646,0.891649899319563,-0.0604135435974368,0.394243814984327,0.612381891499231,-0.148675399504034,0.0356321826028244,0.20275170684474,0.140047073218177,0.0473775009504854,0.116970373855035,0.0591049190263659,0.404585551076678,0.582916239532123,-0.115613678753393,0.102181344623556,0.304294758989019,0.0587149757069286,0.408881681080002,0.686892210815848,0.135825494297124,0.0527402728642098,0.151742738201756,0.0618031146666164,0.393196199612666,0.789119501376225,0.130391004023567,0.0671047403713578,0.183050583573139,0.145557897453432,0.0377753625153585,0.268395367753817,-0.0164176443897345,0.815710407760832,0.962294115765934,0.0136695591284466,0.846136958190468,0.994046276628523,0.043054515084229,0.556365889624483,0.834808966869478,0.47366055360849,8.3596158394516e-13,2.84184068716537e-11,0.0158537521860319,0.82193290134201,0.940872595924052,null,1,null,null,1,{"$nulls":3},"COMPOUND_998_6861a10_94",3718,10.94,998.6861,"Unknown","[3M-H]-","adduct linked to 2619_[2M-H]-",0.1787234,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180625MR_Grainmark_RP_neg_199","998.68402:4155 999.68737:3802 1000.69073:1406","",2376,766,1033,996,1153,962,927,755,1474,217,2006,305,1587,849,1440,872,1027,1430,2038,3163,1803,1058,1769,1824,1935,1899,1709,2797,2734,1869,1641,2426,970,1945,2177,1306,1913,684,1824,2312,2470,3278,1657,1737,2661,1340,1274,3075,2362,3012,2215,1726,2601,2822,2510,2269,2802,3911,1359,2433,2400,3400,2299,6106,3733,2713,1859,723,4679,3962,2838,3262,3618,3580,3146,4697,4005,4136,3164,4117,1878,2809,4556,1792,3445,5301,3724,4716,2392,3172,4930,3009,3812,3517,4453,6120,5137,4270,4683,3256,4821,4267,8263,3374,2201,4069,3086,6522,2175,2193,5381,6815,4300,2402,2912,6815,4945,5050,3577,4823,2494,8559,3263,4897,4341,4082,6426,3186,6679,5626,8212,1848,5344,6830,3229,10006,5577,4049,4818,2656,5614,5132,2163,7755,10484,1939,5880,4439,4724,8040,3733,2505,5425,3600,3921,5857,328,6878,4076,7423,5102,7139,7665,4974,1905,8149,4522,13479,5763,6575,6624,4668,11507,14569,5954,6587,5560,7923,5155,7686,3988,9162,6311,6866,6378,3764,6851,10177,4810,7290,7159,7138,10564,9664,5648,7111,8339,6517,7480,5867,9339,9584,6650,4039,204,327,916,568,751,909,862,704,897,1077,1382,1706,2044,2351,2771,3020,3467,3411,4408,4532,4887,4285,4455,6277,7733,6846,6662,6265,2834,3895,3168,{"$f":"AVERAGE(QG6648:RH6648)","v":2989.8928571428573}]
["COMPOUND_999_2069a9_67","RP_POS",null,12466,9.67,999.2069,{"$nulls":5},"Unknown","[M+Na]+","adduct linked to 12450_[M+NH4]+",0.9914894,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_069","999.20801:7421 1000.21136:2984 1001.21472:496","","kept","COMPOUND_999_2069a9_67",-0.146892436404348,0.547851007917672,0.997039611723942,null,-0.186931517386745,0.444768727298835,0.792786204158101,-0.277089860067329,0.186925111348438,0.79657889560022,{"$f":"-LOG10(AO6649)","v":0.09877120388423792},-0.224832241229252,0.28312254577996,0.581331519307629,-0.130197423662982,-0.728934610276316,0.468539762950351,0.671348373032131,0.990739331293745,-0.174794298683837,-0.641049285345139,0.291460687977464,0.463822549315695,0.940574012959263,-0.146892436404347,-0.563991049636815,0.27020617682812,0.492454859790337,0.99523549462833,-0.104967585657696,-0.163117934711346,-0.0379007238425077,-0.700789672786957,0.624988225101941,0.910945203617604,0.999514070660627,-0.174794298683837,-0.64352756965608,0.293938972288406,0.466144219059972,0.952462240907729,-0.186931517386745,-0.648720207840034,0.274857173066544,0.428973831380904,0.786971672361306,-0.026776953248154,0.0264917700333475,0.0076699451836787,0.929646732916676,0.996704543755967,-0.0307442298364563,0.724358819955271,0.967592747721969,0.0515908448900843,0.552342701519292,0.86896752089886,0.151410869780254,0.0796024276492428,0.440103830597857,-0.00924956535142095,0.91520695697564,0.999675701925871,0.0191650703068618,0.826032010287554,0.980342775751337,0.0418541490303206,0.627240540890213,0.996797703277145,0.0714179501193662,0.424927801729418,0.997386352465513,0.0612108864782375,0.485662075867646,0.999284470898712,3.8243475181459E-3,0.964623140853568,0.993852770981728,0.0725463067260869,0.399528684057212,0.999579883545101,0.0616319081139485,0.474328691261663,0.908501847550871,0.106076353218471,0.240970365133614,0.998611522381113,0.0112475207429149,0.896212998865687,0.982735271346026,-0.0340327959688258,0.692984442487573,0.963728595139379,0.0076699451836787,0.929646732916676,0.996704543755967,-0.0307442298364563,0.724358819955271,0.967592747721969,0.0515908448900843,0.552342701519292,0.86896752089886,0.151410869780254,0.0796024276492428,0.440103830597857,-0.00924956535142095,0.91520695697564,0.999675701925871,0.0191650703068618,0.826032010287554,0.980342775751337,0.0418541490303206,0.627240540890213,0.996797703277145,0.0714179501193662,0.424927801729418,0.997386352465513,0.0612108864782375,0.485662075867646,0.999284470898712,3.8243475181459E-3,0.964623140853568,0.993852770981728,0.0725463067260869,0.399528684057212,0.999579883545101,0.0616319081139485,0.474328691261663,0.908501847550871,0.106076353218471,0.240970365133614,0.998611522381113,0.0112475207429149,0.896212998865687,0.982735271346026,-0.0340327959688258,0.692984442487573,0.963728595139379,0.0406751162039638,0.566434761753192,0.752060753437718,0.0208032863935978,0.769988095499873,0.907701598662032,0.12172934979745,0.0851682028696456,0.182234404530929,-0.106913565715543,0.130879925606457,0.263229073678764,-0.00878942493888807,0.901444476609363,0.966781335616157,-0.13930066121262,0.0491529146558222,0.254161210026088,-0.199014885329485,0.0043222056937125,0.0225854184799775,0.00122312161277821,0.986530934215929,0.998191226503312,-0.21135557674471,2.79848715737083E-3,0.0161454929209845,-0.128840693743284,0.0662737621627139,0.332070120466085,0.169364787141778,0.0154493947372063,0.136370223319494,0.0457186838737167,0.516131207799022,0.965807960343766,-0.0875772793081055,0.230798237442289,0.602174998052656,0.0393867757395192,0.575946084847346,0.815035716538303,0.031893532248563,0.650659027898579,0.860235080961244,{"$nulls":8},"COMPOUND_999_2069a9_67",12466,9.67,999.2069,"Unknown","[M+Na]+","adduct linked to 12450_[M+NH4]+",0.9914894,false,"No record","No record","No record","No record",null,-1,-1,-1,-1,-1,"180706MR_Grainmark_RP_pos_069","999.20801:7421 1000.21136:2984 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