{"__Scores__": true, "is_symmetric": false, "references": [{"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "160", "compound_name": "C001", "retention_time": 268.99, "retention_index": 1800.989583, "peaks_json": [[72.0389617714179, 56416115.0], [76.0256553376053, 49220925.0], [76.0295086554853, 17884882.0], [77.0053275563467, 26589154.0], [83.0127800769552, 72764369.0], [83.031134902227, 10179311.0], [86.7773291870617, 23734479.0], [87.0624748029292, 7498889.0], [93.7759098981009, 12284319.0], [97.0468722156908, 49324192.0], [99.0260406168298, 118701269.0], [103.002983736029, 18397693.0], [106.894754414816, 8004841.0], [111.007632749245, 107433124.0], [117.018501739727, 52467543.0], [131.034273710906, 359133132.0], [133.013526291087, 493499083.0], [133.031172492717, 17650343.0], [135.01033343891, 29110842.0], [135.029247366931, 21569969.0], [135.046364355946, 10818621.0], [136.941594609304, 50570227.0], [138.939618370595, 53903907.0], [139.002532294836, 49931624.0], [139.056768289213, 98175121.0], [141.036538750422, 115707572.0], [141.084158860874, 74023269.0], [142.104641843961, 441884594.0], [143.015834635052, 48987316.0], [143.052340331432, 420396997.0], [143.10428859825, 31762860.0], [143.107947705172, 44080773.0], [145.049469553608, 40966670.0], [147.065597668017, 3426705457.0], [148.066687703799, 456715218.0], [149.044686744287, 2485055493.0], [149.051982158561, 15135407.0], [149.062214633403, 244773900.0], [149.068434618167, 23246006.0], [150.04583614918, 369731636.0], [150.064532557665, 20279235.0], [151.023931616767, 305971501.0], [151.041613361558, 216314524.0], [152.023573104507, 39184709.0], [155.052170983022, 14728905.0], [157.031392134453, 61582084.0], [157.049811244805, 28679691.0], [159.046994608899, 9542515.0], [159.112043200462, 43124161.0], [163.096936467212, 259054581.0], [164.096242459652, 39496478.0], [165.093540352647, 75534890.0], [167.05522365918, 82592725.0], [168.054993436637, 9530750.0], [169.031329681702, 63326558.0], [171.010634911705, 74220303.0], [173.044685418755, 35853332.0], [177.039641177724, 20626924.0], [183.047097257536, 4559958550.0], [183.057249262756, 17431309.0], [184.046358120662, 106511561.0], [184.050443416, 414898624.0], [185.026407772471, 30996555.0], [185.043991660752, 154888217.0], [185.050867499577, 29446895.0], [185.062853536402, 75038250.0], [186.047199218887, 20807119.0], [191.037148572664, 28320845.0], [191.05526102196, 16327982.0], [195.094677873356, 7614346.0], [197.059793589486, 8688331.0], [201.039634295494, 20060252.0], [201.057764327742, 27419375.0], [211.041705745044, 1447339674.0], [212.041045979022, 25597653.0], [212.046025666707, 122581545.0], [213.021020474351, 91489413.0], [213.0391072084, 57195084.0], [214.144261002848, 35457490.0], [215.05549778228, 201625005.0], [215.091952078065, 46374386.0], [216.055525333011, 17909976.0], [217.03448664281, 74746711.0], [217.052170715974, 20626232.0], [218.071997852185, 19993432.0], [219.067881752754, 18067688.0], [222.082854522646, 135778814.0], [223.081182745765, 99300044.0], [223.08893130958, 16433468.0], [229.071095584099, 18581195.0], [232.085631037087, 26441905.0], [233.083493178908, 22919204.0], [237.114642446406, 27809453.0], [239.094719461519, 123875816.0], [240.093989220693, 10465340.0], [241.091358474241, 15998965.0], [243.050410724226, 30433441.0], [244.094291460025, 51273034.0], [245.029458131547, 23650783.0], [245.102463054765, 410722160.0], [246.103646000958, 29809430.0], [254.113905808742, 22337484.0], [257.066031671279, 2765507323.0], [258.06825165759, 197732377.0], [259.045756297035, 43018820.0], [259.063114651546, 129205654.0], [259.070275285318, 18682083.0], [259.081366811747, 116924177.0], [259.141876089913, 14942245.0], [260.066192507073, 34929695.0], [271.082012120742, 19885715.0], [271.984081051135, 9431717.0], [272.089691979189, 22169503.0], [273.079719357873, 78308182.0], [273.097313808265, 16543374969.0], [273.118950007375, 92869850.0], [274.099806030141, 2287536735.0], [274.217141933613, 13039644.0], [275.076294945676, 7983986.0], [275.094216227449, 981222446.0], [275.102436109944, 129418610.0], [276.099267515345, 122244937.0], [277.090215982851, 33999808.0], [285.061379459212, 303738160.0], [286.062906536822, 68620774.0], [287.040073409788, 51679456.0], [291.090077299697, 14024565.0], [301.092508128805, 68301704.0], [303.125948109573, 351901308.0], [304.126475755685, 52106541.0], [305.105961546843, 74641578.0], [305.141578526376, 704639078.0], [306.106418430419, 10669352.0], [306.142348989784, 108317196.0], [307.137660131412, 71896338.0], [319.121110115292, 121722887.0], [320.121965587385, 18034460.0], [331.085397367351, 45683149.0], [331.120777785729, 82200798.0], [333.100808283225, 57324043.0], [334.101214968996, 15734107.0], [345.136450879654, 36564648.0], [347.116266654718, 1786077575.0], [348.117170455813, 502372522.0], [349.111470583401, 192929894.0], [350.114867228446, 38403869.0], [363.147239489188, 501421400.0], [364.14867021705, 132299410.0], [365.143392649651, 42979349.0], [373.13035299357, 19528621.0], [375.111094687722, 568049382.0], [376.111995370639, 271597888.0], [377.106990479324, 108165315.0], [378.108779821015, 22975281.0], [420.247671297531, 27440183.0], [421.171688653814, 10506179.0], [437.166396736386, 13112392.0], [465.161043379028, 95478801.0], [466.161597834963, 34006381.0], [467.158862655379, 15850483.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "154", "compound_name": "C002", "retention_time": 290.89, "retention_index": 1915.052083, "peaks_json": [[74.0420834639321, 120682786.0], [80.0494750602472, 12339346.0], [82.0107698705264, 8113847.0], [82.0525502295731, 60894902.0], [82.0651194565621, 69447188.0], [83.0311632951016, 17182147.0], [83.0603552165549, 26106020.0], [85.046840423611, 36500190.0], [86.0420827109742, 437807591.0], [87.0453942386005, 61802493.0], [88.0577103462022, 126672522.0], [92.0526600111699, 12421233.0], [94.0651670460976, 18848709.0], [96.0263813762539, 14381972.0], [97.0468986440212, 15794212.0], [98.0421044995257, 61798780.0], [99.06249129056, 8628267.0], [100.003287517863, 26090881.0], [104.052665196453, 62263260.0], [106.068269556965, 10590759.0], [106.894750634963, 10256492.0], [108.892711554142, 11334123.0], [108.910444165148, 11643908.0], [110.042107118335, 36696327.0], [110.908343397409, 13030309.0], [112.057747931751, 202767274.0], [113.023768186909, 24015489.0], [113.060990726567, 11748906.0], [114.073420371446, 118499512.0], [116.034576517123, 25573830.0], [118.013833408793, 16053275.0], [124.057702695463, 27174358.0], [125.053020535183, 10497273.0], [126.073371777015, 116026001.0], [128.089034552709, 1076874098.0], [129.088615400632, 49671667.0], [129.092275725785, 64644162.0], [130.050240665132, 211482345.0], [130.085929598478, 31261544.0], [131.050293706342, 20915133.0], [132.02961924114, 104192915.0], [132.047128086909, 12094980.0], [132.066113699847, 16131826.0], [136.941688061638, 81146638.0], [138.073445775264, 23634965.0], [138.939710087807, 74853849.0], [139.0686036981, 52754759.0], [139.081144509926, 34483099.0], [140.08899268638, 293228811.0], [141.092347928277, 65071812.0], [146.081595655039, 145607206.0], [147.080815648938, 17595931.0], [151.068736822218, 10434254.0], [153.084293111734, 142395683.0], [154.067420851191, 38774968.0], [154.084420613659, 52714657.0], [154.091894366848, 8040303517.0], [154.099503530777, 38324808.0], [154.104655547101, 443159050.0], [155.091615331178, 372481990.0], [155.099727288506, 1310679140.0], [155.10781250826, 49431503.0], [155.112254523726, 44722686.0], [156.105471106688, 166859587.0], [156.120166450827, 7207510907.0], [156.127862778166, 41072907.0], [157.097093417462, 32026839.0], [157.121496619714, 926586633.0], [158.099385920317, 12616679.0], [158.124946605491, 234352340.0], [160.097096389934, 45502811.0], [164.094075508998, 34423231.0], [165.084107046349, 8145865.0], [166.079422233971, 178017216.0], [166.104685302363, 80292109.0], [167.07871269313, 4507534.0], [167.082828184413, 13060281.0], [167.099713290459, 33540976.0], [168.058648244495, 5700201.0], [168.083785856497, 48614668.0], [170.082445253861, 28135897.0], [170.099553031307, 28093003.0], [174.076517369154, 49839977.0], [174.103640753562, 66052643.0], [174.112663155196, 5611399476.0], [175.112170691358, 833424254.0], [176.109466908977, 366520262.0], [176.115493491049, 47516513.0], [184.09719460417, 42599922.0], [186.112626331526, 117291912.0], [187.108107044473, 22347464.0], [194.0743897508, 8637337.0], [198.113011436307, 16774760.0], [200.128530660802, 474547422.0], [201.076108377723, 46006626.0], [201.127096169995, 52130161.0], [202.071563374098, 11705583.0], [202.125165445139, 33637559.0], [208.08987892552, 12797967.0], [211.10767888855, 43890336.0], [212.12878309912, 45875600.0], [213.13636807691, 35030810.0], [214.107807984073, 285748748.0], [215.091931295473, 234180262.0], [215.110674585538, 36705109.0], [216.104580934199, 20836364.0], [223.108076558568, 11023160.0], [225.123655999268, 36876138.0], [226.13153622958, 230503051.0], [227.13043943876, 10085174.0], [228.123249098843, 71535895.0], [228.159905893646, 362434420.0], [229.161937176139, 38367663.0], [230.11510202532, 1523196176.0], [230.139090546109, 293710971.0], [230.156245628046, 45899538.0], [231.116370377997, 120829979.0], [238.119217265137, 947506152.0], [239.121427840401, 63610601.0], [239.139249070531, 39299143.0], [240.099210617648, 7249600.0], [240.115927718166, 52952233.0], [240.123288794265, 76462964.0], [241.118888018358, 41168985.0], [243.170568177597, 125330108.0], [244.154610797799, 67993804.0], [254.129501750287, 22468081.0], [254.15027250779, 3541758949.0], [254.166344878179, 23375802.0], [255.134464422483, 9943127.0], [255.153455142685, 389823786.0], [255.17059633608, 62094050.0], [256.146875761737, 243800132.0], [257.113547269649, 157019561.0], [257.15089582724, 26466261.0], [267.116330800132, 19910509.0], [272.149988875225, 105632286.0], [273.158421055509, 86183840.0], [274.146840544661, 38353426.0], [302.178660705055, 15925694.0], [304.15803854925, 24147305.0], [313.158276970897, 15473630.0], [317.225363435622, 262506151.0], [318.226361789138, 56804918.0], [319.222337550035, 23286345.0], [328.168552290245, 125300682.0], [329.189024733197, 158066255.0], [338.153719073072, 54058937.0], [339.154593618751, 14921199.0], [356.163893265203, 202635184.0], [357.165536021859, 53046367.0], [358.15756032522, 10878972.0], [371.186890075188, 108573235.0], [372.188435718142, 25975848.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "135", "compound_name": "C003", "retention_time": 319.68, "retention_index": 2069.333333, "peaks_json": [[79.7880892478518, 18841042.0], [81.0447736395215, 11849310.0], [82.0287915205732, 8641431.0], [83.049137600019, 33038328.0], [84.0525192390775, 7478871.0], [87.0553285125512, 74200004.0], [89.0417142929142, 74233823.0], [90.0370022508945, 13992895.0], [91.0210436941179, 2390862.0], [93.044785299243, 7452819.0], [94.0525975127288, 10453244.0], [96.0444253536972, 10903036.0], [99.0553397906279, 10231908.0], [105.044808242391, 6408829.0], [107.052294660788, 6242866.0], [109.039650121962, 5568695.0], [110.047462837666, 5061668.0], [111.055323802391, 5873056.0], [112.039298026444, 3965753.0], [112.063146344341, 6515958.0], [113.052882942859, 8276419.0], [113.070935069309, 6091506.0], [116.06489332999, 7651769.0], [117.052272989142, 3424764.0], [119.060398059581, 5015688.0], [123.055298722957, 6914458.0], [126.036934304886, 7725659.0], [127.068555548084, 6308443.0], [129.036692025662, 122379411.0], [129.065799497037, 22459026.0], [129.072869578599, 357742590.0], [129.084157333304, 8540678.0], [130.068355771428, 19512498.0], [130.072660895986, 17001807.0], [130.076400507348, 21643851.0], [131.076042114677, 42394426.0], [132.075235945687, 15098771.0], [132.083789835617, 26794170.0], [137.070988883611, 9859706.0], [138.05493224095, 3165654.0], [139.051175003371, 7069320.0], [141.047778003792, 23946731.0], [141.065923570004, 9330027.0], [142.055705069575, 6974963.0], [144.08382621206, 24138104.0], [152.052612709208, 12445682.0], [153.047862201653, 13551007.0], [153.06050104986, 5683251.0], [154.031798596314, 9702495.0], [154.068135836281, 22462918.0], [155.063488378907, 17345256.0], [157.067778706704, 305000842.0], [157.079041955576, 23421863.0], [158.063049350607, 79873894.0], [158.071192154163, 24230537.0], [158.087223744981, 44233946.0], [159.066220496597, 14412715.0], [159.094678886574, 63040570.0], [167.063455325892, 21288707.0], [169.079013983553, 42107910.0], [170.063237400093, 16300891.0], [175.083575347646, 36260729.0], [178.068296395536, 5176174.0], [179.081486447783, 7029930.0], [180.047488487863, 6887272.0], [181.079036591706, 29074392.0], [182.087014052977, 13760713.0], [182.099591005081, 6217729.0], [184.078890320729, 22831122.0], [185.110259256924, 10498695.0], [186.094277657113, 33629523.0], [191.072955515118, 17861044.0], [194.099507858777, 7280353.0], [195.09471415495, 25188698.0], [196.078795602271, 6238390.0], [196.102396694031, 10925562.0], [199.08955397795, 9152031.0], [201.105247648349, 119861528.0], [201.112359610286, 31839556.0], [205.107609165375, 288674074.0], [206.107497510189, 35502636.0], [207.09499264929, 14009572.0], [207.103984365352, 24028098.0], [209.11035836202, 11298196.0], [210.094325451895, 13575347.0], [211.089848595549, 23856594.0], [212.097009756898, 13775311.0], [213.105228486782, 73929890.0], [219.09527736534, 8505195.0], [221.074300407885, 14508487.0], [225.105533091326, 19016199.0], [233.102475979575, 15389167.0], [242.10246806473, 19687380.0], [242.126657609235, 11066324.0], [243.134206462776, 50646552.0], [244.119452816047, 30022076.0], [245.114820894281, 11088338.0], [254.102870594529, 5350655.0], [255.134441237269, 46732255.0], [269.113908264442, 46534893.0], [270.134437529958, 7090136.0], [271.128972048701, 37425633.0], [273.144669229945, 9722721.0], [274.128730992046, 139451474.0], [275.131908166958, 15282348.0], [284.113416878425, 8739042.0], [284.137011207473, 19427028.0], [301.139887685895, 13069124.0], [303.156554156078, 27321286.0], [309.144715592211, 11863564.0], [315.155169787866, 65230453.0], [319.157101342607, 733557628.0], [320.158352325734, 176280305.0], [321.153241677135, 74811478.0], [322.157191869663, 33601762.0], [327.155355207603, 17725445.0], [333.166397555812, 53890077.0], [334.168322787397, 15415305.0], [360.184205186806, 23337977.0], [374.163526061853, 21552675.0], [399.195205285978, 19867111.0], [401.174241468972, 35504809.0], [417.205717817748, 23250105.0], [417.241711757457, 19573381.0], [418.207654920137, 17403027.0], [418.243205616146, 12152742.0], [475.229231161579, 2756806.0], [489.245871828029, 38098072.0], [490.247019499098, 8845886.0], [491.244269926889, 10775524.0], [523.250368109965, 33514393.0], [579.297280589764, 6860747.0], [595.292757936577, 18386300.0], [596.292128391308, 11382024.0], [597.290217290809, 5672650.0]]}], "queries": [{"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "160", "compound_name": "C001", "retention_time": 268.99, "retention_index": 1800.989583, "peaks_json": [[72.0389617714179, 56416115.0], [76.0256553376053, 49220925.0], [76.0295086554853, 17884882.0], [77.0053275563467, 26589154.0], [83.0127800769552, 72764369.0], [83.031134902227, 10179311.0], [86.7773291870617, 23734479.0], [87.0624748029292, 7498889.0], [93.7759098981009, 12284319.0], [97.0468722156908, 49324192.0], [99.0260406168298, 118701269.0], [103.002983736029, 18397693.0], [106.894754414816, 8004841.0], [111.007632749245, 107433124.0], [117.018501739727, 52467543.0], [131.034273710906, 359133132.0], [133.013526291087, 493499083.0], [133.031172492717, 17650343.0], [135.01033343891, 29110842.0], [135.029247366931, 21569969.0], [135.046364355946, 10818621.0], [136.941594609304, 50570227.0], [138.939618370595, 53903907.0], [139.002532294836, 49931624.0], [139.056768289213, 98175121.0], [141.036538750422, 115707572.0], [141.084158860874, 74023269.0], [142.104641843961, 441884594.0], [143.015834635052, 48987316.0], [143.052340331432, 420396997.0], [143.10428859825, 31762860.0], [143.107947705172, 44080773.0], [145.049469553608, 40966670.0], [147.065597668017, 3426705457.0], [148.066687703799, 456715218.0], [149.044686744287, 2485055493.0], [149.051982158561, 15135407.0], [149.062214633403, 244773900.0], [149.068434618167, 23246006.0], [150.04583614918, 369731636.0], [150.064532557665, 20279235.0], [151.023931616767, 305971501.0], [151.041613361558, 216314524.0], [152.023573104507, 39184709.0], [155.052170983022, 14728905.0], [157.031392134453, 61582084.0], [157.049811244805, 28679691.0], [159.046994608899, 9542515.0], [159.112043200462, 43124161.0], [163.096936467212, 259054581.0], [164.096242459652, 39496478.0], [165.093540352647, 75534890.0], [167.05522365918, 82592725.0], [168.054993436637, 9530750.0], [169.031329681702, 63326558.0], [171.010634911705, 74220303.0], [173.044685418755, 35853332.0], [177.039641177724, 20626924.0], [183.047097257536, 4559958550.0], [183.057249262756, 17431309.0], [184.046358120662, 106511561.0], [184.050443416, 414898624.0], [185.026407772471, 30996555.0], [185.043991660752, 154888217.0], [185.050867499577, 29446895.0], [185.062853536402, 75038250.0], [186.047199218887, 20807119.0], [191.037148572664, 28320845.0], [191.05526102196, 16327982.0], [195.094677873356, 7614346.0], [197.059793589486, 8688331.0], [201.039634295494, 20060252.0], [201.057764327742, 27419375.0], [211.041705745044, 1447339674.0], [212.041045979022, 25597653.0], [212.046025666707, 122581545.0], [213.021020474351, 91489413.0], [213.0391072084, 57195084.0], [214.144261002848, 35457490.0], [215.05549778228, 201625005.0], [215.091952078065, 46374386.0], [216.055525333011, 17909976.0], [217.03448664281, 74746711.0], [217.052170715974, 20626232.0], [218.071997852185, 19993432.0], [219.067881752754, 18067688.0], [222.082854522646, 135778814.0], [223.081182745765, 99300044.0], [223.08893130958, 16433468.0], [229.071095584099, 18581195.0], [232.085631037087, 26441905.0], [233.083493178908, 22919204.0], [237.114642446406, 27809453.0], [239.094719461519, 123875816.0], [240.093989220693, 10465340.0], [241.091358474241, 15998965.0], [243.050410724226, 30433441.0], [244.094291460025, 51273034.0], [245.029458131547, 23650783.0], [245.102463054765, 410722160.0], [246.103646000958, 29809430.0], [254.113905808742, 22337484.0], [257.066031671279, 2765507323.0], [258.06825165759, 197732377.0], [259.045756297035, 43018820.0], [259.063114651546, 129205654.0], [259.070275285318, 18682083.0], [259.081366811747, 116924177.0], [259.141876089913, 14942245.0], [260.066192507073, 34929695.0], [271.082012120742, 19885715.0], [271.984081051135, 9431717.0], [272.089691979189, 22169503.0], [273.079719357873, 78308182.0], [273.097313808265, 16543374969.0], [273.118950007375, 92869850.0], [274.099806030141, 2287536735.0], [274.217141933613, 13039644.0], [275.076294945676, 7983986.0], [275.094216227449, 981222446.0], [275.102436109944, 129418610.0], [276.099267515345, 122244937.0], [277.090215982851, 33999808.0], [285.061379459212, 303738160.0], [286.062906536822, 68620774.0], [287.040073409788, 51679456.0], [291.090077299697, 14024565.0], [301.092508128805, 68301704.0], [303.125948109573, 351901308.0], [304.126475755685, 52106541.0], [305.105961546843, 74641578.0], [305.141578526376, 704639078.0], [306.106418430419, 10669352.0], [306.142348989784, 108317196.0], [307.137660131412, 71896338.0], [319.121110115292, 121722887.0], [320.121965587385, 18034460.0], [331.085397367351, 45683149.0], [331.120777785729, 82200798.0], [333.100808283225, 57324043.0], [334.101214968996, 15734107.0], [345.136450879654, 36564648.0], [347.116266654718, 1786077575.0], [348.117170455813, 502372522.0], [349.111470583401, 192929894.0], [350.114867228446, 38403869.0], [363.147239489188, 501421400.0], [364.14867021705, 132299410.0], [365.143392649651, 42979349.0], [373.13035299357, 19528621.0], [375.111094687722, 568049382.0], [376.111995370639, 271597888.0], [377.106990479324, 108165315.0], [378.108779821015, 22975281.0], [420.247671297531, 27440183.0], [421.171688653814, 10506179.0], [437.166396736386, 13112392.0], [465.161043379028, 95478801.0], [466.161597834963, 34006381.0], [467.158862655379, 15850483.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "154", "compound_name": "C002", "retention_time": 290.89, "retention_index": 1915.052083, "peaks_json": [[74.0420834639321, 120682786.0], [80.0494750602472, 12339346.0], [82.0107698705264, 8113847.0], [82.0525502295731, 60894902.0], [82.0651194565621, 69447188.0], [83.0311632951016, 17182147.0], [83.0603552165549, 26106020.0], [85.046840423611, 36500190.0], [86.0420827109742, 437807591.0], [87.0453942386005, 61802493.0], [88.0577103462022, 126672522.0], [92.0526600111699, 12421233.0], [94.0651670460976, 18848709.0], [96.0263813762539, 14381972.0], [97.0468986440212, 15794212.0], [98.0421044995257, 61798780.0], [99.06249129056, 8628267.0], [100.003287517863, 26090881.0], [104.052665196453, 62263260.0], [106.068269556965, 10590759.0], [106.894750634963, 10256492.0], [108.892711554142, 11334123.0], [108.910444165148, 11643908.0], [110.042107118335, 36696327.0], [110.908343397409, 13030309.0], [112.057747931751, 202767274.0], [113.023768186909, 24015489.0], [113.060990726567, 11748906.0], [114.073420371446, 118499512.0], [116.034576517123, 25573830.0], [118.013833408793, 16053275.0], [124.057702695463, 27174358.0], [125.053020535183, 10497273.0], [126.073371777015, 116026001.0], [128.089034552709, 1076874098.0], [129.088615400632, 49671667.0], [129.092275725785, 64644162.0], [130.050240665132, 211482345.0], [130.085929598478, 31261544.0], [131.050293706342, 20915133.0], [132.02961924114, 104192915.0], [132.047128086909, 12094980.0], [132.066113699847, 16131826.0], [136.941688061638, 81146638.0], [138.073445775264, 23634965.0], [138.939710087807, 74853849.0], [139.0686036981, 52754759.0], [139.081144509926, 34483099.0], [140.08899268638, 293228811.0], [141.092347928277, 65071812.0], [146.081595655039, 145607206.0], [147.080815648938, 17595931.0], [151.068736822218, 10434254.0], [153.084293111734, 142395683.0], [154.067420851191, 38774968.0], [154.084420613659, 52714657.0], [154.091894366848, 8040303517.0], [154.099503530777, 38324808.0], [154.104655547101, 443159050.0], [155.091615331178, 372481990.0], [155.099727288506, 1310679140.0], [155.10781250826, 49431503.0], [155.112254523726, 44722686.0], [156.105471106688, 166859587.0], [156.120166450827, 7207510907.0], [156.127862778166, 41072907.0], [157.097093417462, 32026839.0], [157.121496619714, 926586633.0], [158.099385920317, 12616679.0], [158.124946605491, 234352340.0], [160.097096389934, 45502811.0], [164.094075508998, 34423231.0], [165.084107046349, 8145865.0], [166.079422233971, 178017216.0], [166.104685302363, 80292109.0], [167.07871269313, 4507534.0], [167.082828184413, 13060281.0], [167.099713290459, 33540976.0], [168.058648244495, 5700201.0], [168.083785856497, 48614668.0], [170.082445253861, 28135897.0], [170.099553031307, 28093003.0], [174.076517369154, 49839977.0], [174.103640753562, 66052643.0], [174.112663155196, 5611399476.0], [175.112170691358, 833424254.0], [176.109466908977, 366520262.0], [176.115493491049, 47516513.0], [184.09719460417, 42599922.0], [186.112626331526, 117291912.0], [187.108107044473, 22347464.0], [194.0743897508, 8637337.0], [198.113011436307, 16774760.0], [200.128530660802, 474547422.0], [201.076108377723, 46006626.0], [201.127096169995, 52130161.0], [202.071563374098, 11705583.0], [202.125165445139, 33637559.0], [208.08987892552, 12797967.0], [211.10767888855, 43890336.0], [212.12878309912, 45875600.0], [213.13636807691, 35030810.0], [214.107807984073, 285748748.0], [215.091931295473, 234180262.0], [215.110674585538, 36705109.0], [216.104580934199, 20836364.0], [223.108076558568, 11023160.0], [225.123655999268, 36876138.0], [226.13153622958, 230503051.0], [227.13043943876, 10085174.0], [228.123249098843, 71535895.0], [228.159905893646, 362434420.0], [229.161937176139, 38367663.0], [230.11510202532, 1523196176.0], [230.139090546109, 293710971.0], [230.156245628046, 45899538.0], [231.116370377997, 120829979.0], [238.119217265137, 947506152.0], [239.121427840401, 63610601.0], [239.139249070531, 39299143.0], [240.099210617648, 7249600.0], [240.115927718166, 52952233.0], [240.123288794265, 76462964.0], [241.118888018358, 41168985.0], [243.170568177597, 125330108.0], [244.154610797799, 67993804.0], [254.129501750287, 22468081.0], [254.15027250779, 3541758949.0], [254.166344878179, 23375802.0], [255.134464422483, 9943127.0], [255.153455142685, 389823786.0], [255.17059633608, 62094050.0], [256.146875761737, 243800132.0], [257.113547269649, 157019561.0], [257.15089582724, 26466261.0], [267.116330800132, 19910509.0], [272.149988875225, 105632286.0], [273.158421055509, 86183840.0], [274.146840544661, 38353426.0], [302.178660705055, 15925694.0], [304.15803854925, 24147305.0], [313.158276970897, 15473630.0], [317.225363435622, 262506151.0], [318.226361789138, 56804918.0], [319.222337550035, 23286345.0], [328.168552290245, 125300682.0], [329.189024733197, 158066255.0], [338.153719073072, 54058937.0], [339.154593618751, 14921199.0], [356.163893265203, 202635184.0], [357.165536021859, 53046367.0], [358.15756032522, 10878972.0], [371.186890075188, 108573235.0], [372.188435718142, 25975848.0]]}, {"ionmode": "negative", "spectrumtype": "Centroid", "num_peaks": "135", "compound_name": "C003", "retention_time": 319.68, "retention_index": 2069.333333, "peaks_json": [[79.7880892478518, 18841042.0], [81.0447736395215, 11849310.0], [82.0287915205732, 8641431.0], [83.049137600019, 33038328.0], [84.0525192390775, 7478871.0], [87.0553285125512, 74200004.0], [89.0417142929142, 74233823.0], [90.0370022508945, 13992895.0], [91.0210436941179, 2390862.0], [93.044785299243, 7452819.0], [94.0525975127288, 10453244.0], [96.0444253536972, 10903036.0], [99.0553397906279, 10231908.0], [105.044808242391, 6408829.0], [107.052294660788, 6242866.0], [109.039650121962, 5568695.0], [110.047462837666, 5061668.0], [111.055323802391, 5873056.0], [112.039298026444, 3965753.0], [112.063146344341, 6515958.0], [113.052882942859, 8276419.0], [113.070935069309, 6091506.0], [116.06489332999, 7651769.0], [117.052272989142, 3424764.0], [119.060398059581, 5015688.0], [123.055298722957, 6914458.0], [126.036934304886, 7725659.0], [127.068555548084, 6308443.0], [129.036692025662, 122379411.0], [129.065799497037, 22459026.0], [129.072869578599, 357742590.0], [129.084157333304, 8540678.0], [130.068355771428, 19512498.0], [130.072660895986, 17001807.0], [130.076400507348, 21643851.0], [131.076042114677, 42394426.0], [132.075235945687, 15098771.0], [132.083789835617, 26794170.0], [137.070988883611, 9859706.0], [138.05493224095, 3165654.0], [139.051175003371, 7069320.0], [141.047778003792, 23946731.0], [141.065923570004, 9330027.0], [142.055705069575, 6974963.0], [144.08382621206, 24138104.0], [152.052612709208, 12445682.0], [153.047862201653, 13551007.0], [153.06050104986, 5683251.0], [154.031798596314, 9702495.0], [154.068135836281, 22462918.0], [155.063488378907, 17345256.0], [157.067778706704, 305000842.0], [157.079041955576, 23421863.0], [158.063049350607, 79873894.0], [158.071192154163, 24230537.0], [158.087223744981, 44233946.0], [159.066220496597, 14412715.0], [159.094678886574, 63040570.0], [167.063455325892, 21288707.0], [169.079013983553, 42107910.0], [170.063237400093, 16300891.0], [175.083575347646, 36260729.0], [178.068296395536, 5176174.0], [179.081486447783, 7029930.0], [180.047488487863, 6887272.0], [181.079036591706, 29074392.0], [182.087014052977, 13760713.0], [182.099591005081, 6217729.0], [184.078890320729, 22831122.0], [185.110259256924, 10498695.0], [186.094277657113, 33629523.0], [191.072955515118, 17861044.0], [194.099507858777, 7280353.0], [195.09471415495, 25188698.0], [196.078795602271, 6238390.0], [196.102396694031, 10925562.0], [199.08955397795, 9152031.0], [201.105247648349, 119861528.0], [201.112359610286, 31839556.0], [205.107609165375, 288674074.0], [206.107497510189, 35502636.0], [207.09499264929, 14009572.0], [207.103984365352, 24028098.0], [209.11035836202, 11298196.0], [210.094325451895, 13575347.0], [211.089848595549, 23856594.0], [212.097009756898, 13775311.0], [213.105228486782, 73929890.0], [219.09527736534, 8505195.0], [221.074300407885, 14508487.0], [225.105533091326, 19016199.0], [233.102475979575, 15389167.0], [242.10246806473, 19687380.0], [242.126657609235, 11066324.0], [243.134206462776, 50646552.0], [244.119452816047, 30022076.0], [245.114820894281, 11088338.0], [254.102870594529, 5350655.0], [255.134441237269, 46732255.0], [269.113908264442, 46534893.0], [270.134437529958, 7090136.0], [271.128972048701, 37425633.0], [273.144669229945, 9722721.0], [274.128730992046, 139451474.0], [275.131908166958, 15282348.0], [284.113416878425, 8739042.0], [284.137011207473, 19427028.0], [301.139887685895, 13069124.0], [303.156554156078, 27321286.0], [309.144715592211, 11863564.0], [315.155169787866, 65230453.0], [319.157101342607, 733557628.0], [320.158352325734, 176280305.0], [321.153241677135, 74811478.0], [322.157191869663, 33601762.0], [327.155355207603, 17725445.0], [333.166397555812, 53890077.0], [334.168322787397, 15415305.0], [360.184205186806, 23337977.0], [374.163526061853, 21552675.0], [399.195205285978, 19867111.0], [401.174241468972, 35504809.0], [417.205717817748, 23250105.0], [417.241711757457, 19573381.0], [418.207654920137, 17403027.0], [418.243205616146, 12152742.0], [475.229231161579, 2756806.0], [489.245871828029, 38098072.0], [490.247019499098, 8845886.0], [491.244269926889, 10775524.0], [523.250368109965, 33514393.0], [579.297280589764, 6860747.0], [595.292757936577, 18386300.0], [596.292128391308, 11382024.0], [597.290217290809, 5672650.0]]}], "n_row": 3, "n_col": 3, "row": [0, 0, 1, 1, 1, 2, 2], "col": [0, 1, 0, 1, 2, 1, 2], "data": [[0.9999999999999994, 160, 1.0], [0.009949950543146832, 45, 1.0], [0.009949950543146832, 45, 1.0], [1.0, 154, 1.0], [0.051811021915120416, 49, 1.0], [0.051811021915120416, 49, 1.0], [1.0000000000000002, 135, 1.0]], "dtype": [["CosineGreedy_score", "<f8"], ["CosineGreedy_matches", "<i8"], ["MetadataMatch_MetadataMatch", "<f8"]]}