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{"sheet":"LM08171448-M-2","index":0,"n_rows":15136,"n_cols":42,"rows_kept":2250,"cut":true,"bounds":{"rows_first":1000,"rows_last":250,"rows_between":1000,"halvings":1}}
[{"$nulls":7},"CK(0min)",{"$nulls":7},"5min",{"$nulls":8},"3min"]
[]
["ID","m/z","RT","Ion mode","0_1","0_2","0_3","0_4","0_5","0_6","0_7","0_8","3_1","3_2","3_3","3_4","3_5","3_6","3_7","3_8","5_1","5_2","5_3","5_4","5_5","5_6","5_7","5_8","QC_1","QC_2","QC_3","QC_4","QC_5","QC_6","QC_7","QC_8","Compound ID","Adducts","Formula","Score","Mass Error (ppm)","Metabolites"]
["9.61_296.2581m/z",296.2581087,9.6086,"pos",55.21368802,51.22596393,57.0635929,46.84777556,31.22169042,47.40362253,55.72240917,78.71095139,35.78277324,31.06107769,29.81153744,49.51931593,24.64399217,32.64382475,29.51652964,52.58823645,59.96920677,37.43870655,42.08635221,42.40629043,59.16747247,56.52593528,38.41865069,37.85481636,76.98101405,82.19631039,80.40204343,87.5069103,115.4819571,109.2384031,102.8292482,109.0159075,"LMSP01080013","M+H","C18H33NO2",58.5,-1.00593449,"(4E,8E,10E-d18:3)sphingosine"]
["2.29_329.1496m/z",329.1495895,2.294316667,"pos",3.87073454,10.00641617,7.057051388,5.602070446,3.582299958,9.923716652,8.252830372,5.385615473,7.654763654,3.081895945,3.875436592,2.571404317,1.913215866,3.518662343,3.456303325,3.046774975,1.746519694,0.561744574,1.559745536,0.900926451,2.777339667,1.075785759,1.275694582,2.075026073,2.964539327,2.113634433,3.227771425,4.362765223,3.365209922,3.747249715,3.170209141,3.515271493,"HMDB0029112","M+H","C18H20N2O4",58.4,0.018120067,"Tyrosyl-Phenylalanine"]
["2.97_313.1547m/z",313.1547025,2.971883333,"pos",3.692461347,11.65533901,13.65446928,5.323548406,10.79792778,12.55090549,12.29505905,6.327218609,8.029606691,4.752488958,7.515601412,8.095400938,5.90724766,6.10696741,7.848445205,6.220391246,3.062063228,3.236905544,1.775446836,3.292660977,3.556478709,2.668200897,2.508057361,2.607956792,5.461220942,4.800390769,4.416082944,6.376053487,5.931143934,8.600458929,7.551975084,7.548855218,"HMDB0013302","M+H","C18H20N2O3",58.2,0.107405572,"Phenylalanylphenylalanine"]
["3.12_461.2605m/z",461.2604557,3.1186,"pos",5.630297823,2.701133118,4.938050624,3.464507815,3.192511808,2.910083652,4.222058476,3.867624509,6.686938358,3.237015917,4.554704264,4.677448722,4.958300189,3.175064098,5.302179881,5.728182801,5.390128806,5.732579381,5.018869969,5.89271401,2.279007964,4.671539975,4.97709213,5.040175275,5.90550423,5.88586157,5.018506217,5.992176233,5.302009502,6.414036131,6.047735094,5.167150146,"HMDB0029128","2M+H","C10H18N2O4",58.1,-0.292930429,"Valyl-Hydroxyproline"]
["4.51_305.1752m/z",305.1752055,4.509116667,"pos",15.56823238,10.11074361,5.648255487,11.5083813,10.94959848,9.273910829,7.039733689,13.32315201,9.341157612,11.49619504,9.801590502,12.46851754,6.368070465,10.83687224,9.905452503,12.50657118,1.843650487,3.358057006,6.197044833,3.700807566,2.074364502,3.240457988,4.921452716,6.932383292,8.658065603,8.032606276,8.902886052,8.993345243,10.28922127,9.524321463,8.49343617,8.772083268,"HMDB0032132","2M+H","C9H12O2",57.9,1.544485062,"2-Isopropyl-1,4-benzenediol"]
["10.52_546.3527m/z",546.3527321,10.515,"pos",11.66515153,23.70303614,15.65066001,15.12278327,18.3978047,25.59796626,16.09675854,18.93205102,40.75699809,23.08681064,17.33991806,27.91808473,30.84121996,22.72642983,19.83050287,28.85976336,33.19015476,33.52278783,28.51461855,30.08440919,54.89310208,35.46055198,29.42655438,30.74345038,18.16006242,23.73087703,20.74376958,22.53228325,27.36110311,23.96591587,22.45630868,24.45448781,"HMDB0010384","M+Na","C26H54NO7P",57.8,-0.531687955,"LysoPC(18:0)"]
["9.14_623.4530m/z",623.4530048,9.14405,"neg",0.776217736,4.883596872,5.520777974,8.543403055,6.220357563,5.871854585,2.839434614,1.68255896,10.55175808,10.53679515,3.357424512,17.72029567,3.139284252,8.223341615,4.31681487,8.537158443,20.20218089,4.05674361,6.822257286,0,16.85323257,9.247422189,1.780184585,1.691557894,8.096418306,8.375931536,11.8236094,5.861764565,3.62600708,8.23587516,7.518459508,13.37048487,"HMDB0003871","2M-H","C18H32O4",57.7,0.259793117,"13-L-Hydroperoxylinoleic acid"]
["12.39_267.2680m/z",267.2679619,12.39166667,"pos",15.86571847,17.85328862,11.07299057,11.2106793,13.6508939,13.10142094,12.49291085,12.95274601,19.93982861,16.89825683,17.41950036,16.89973726,17.56584016,16.89669565,16.60018151,15.65548823,23.61036064,24.45817567,16.37574548,21.11554252,21.47772824,18.43844849,23.41774548,17.41576881,67.0694114,70.34395618,68.9898429,65.53082858,76.22439941,73.97815165,61.45812509,68.20062965,"HMDB0000827","M+H-H2O","C18H36O2",57.5,-0.985967911,"Stearic acid"]
["4.84_293.1231m/z",293.1231181,4.838983333,"pos",2.526509102,3.657287569,13.06926036,7.889225727,12.55703935,4.414591914,11.24957881,8.063312882,4.996831951,15.46810673,4.35612958,1.305480338,3.527420044,16.07150652,4.140881613,1.025262014,1.242808182,4.70647122,8.387582527,5.992826438,4.607297946,1.713088747,4.736071018,8.140696001,3.472763932,3.706369585,3.941563776,5.265194057,5.013762721,4.420008777,4.234867211,3.544901248,"HMDB0006900","2M+H","C6H10O4",57.4,0.082363044,"(S)-2-Aceto-2-hydroxybutanoic acid"]
["10.90_506.3231m/z",506.323063,10.9043,"neg",16.92602902,21.35804756,14.31968685,7.054222997,10.72850363,23.19533557,13.00032744,7.904708337,34.0825055,16.30871059,20.62615827,16.84039023,14.4716397,17.14650305,15.97213293,19.51548805,72.69695858,28.27117836,15.024532,9.855800095,65.83445482,65.44584439,34.3472691,10.67218551,21.61146244,22.7205068,24.4967904,20.91254987,22.87957542,24.32855771,27.47677551,28.55800004,"HMDB0011482","M-H","C25H50NO7P",57.4,-4.238161624,"LysoPE(0:0/20:1(11Z))"]
["0.65_84.0440m/z",84.04398133,0.6461,"pos",183.6096954,308.9959595,364.7186381,239.7431362,236.8121868,302.8427441,346.0370459,203.1962083,198.3175839,123.3735399,142.8381444,133.123186,266.1876285,142.1348248,139.9578276,145.7170777,260.5074789,241.643037,261.362778,236.0793051,419.4978325,216.2759719,267.7459135,216.9196001,233.1738589,204.5852213,248.321073,205.9891447,259.7611737,259.5915267,223.0918427,229.3713652,"HMDB0029615","M+H-H2O","C4H7NO2",57.2,-4.046490375,"(S)-2-Azetidinecarboxylic acid"]
["7.79_209.1169m/z",209.116854,7.788583333,"pos",4.168636031,11.14655859,10.33801917,5.941153128,15.90451509,10.230467,11.56160895,7.435521027,25.95700043,11.43006952,16.96871055,16.85483447,13.27723645,12.48753753,17.54180119,18.25885009,16.94628288,9.541621183,10.74998075,7.296897545,19.39591971,18.91940512,11.45558652,11.54004349,15.35498971,17.00971302,15.36717609,18.22670088,18.12387489,18.81242055,18.56780565,18.11078659,"HMDB0059729","M+H-H2O","C12H18O4",57.2,-1.622225404,"3,4-Methylenesebacic acid"]
["8.86_209.1185m/z",209.1185019,8.857066667,"neg",13.73336336,20.60212947,20.60087734,15.7129508,18.31218686,21.49965699,23.58216356,20.4562707,14.97925614,23.12323978,12.0029115,15.68583365,11.67130208,20.21210535,14.55880127,14.53016475,20.7837518,9.711752247,13.20007728,10.48263788,12.8484199,21.05136321,8.779659357,12.54909555,15.84783463,13.34533308,13.2217727,13.75747568,16.90790839,14.72994278,13.92781366,14.42878646,"HMDB0032797","M-H","C12H18O3",57.1,0.875123622,"Jasmonic acid"]
["4.41_237.1133m/z",237.1132808,4.409466667,"neg",0.794877816,0,0.392958751,0.193826145,0.27950887,0,0.281054988,0.474329684,0.664352548,3.519835562,3.362442742,30.74496117,2.461594237,4.195878766,3.374244197,29.2302504,34.37142494,63.39040012,34.73942493,41.29074629,28.10620778,31.23521059,59.0879475,36.11566111,14.23834788,14.57739934,15.56767282,14.15463108,17.31066429,15.73332365,15.69780835,17.75175093,"HMDB0038180","M+FA-H","C12H16O2",57.1,0.250705806,"2-(2-Hydroxy-4-methylphenyl)-3-pentanone"]
["4.12_211.1327m/z",211.1326877,4.1191,"pos",4.281432285,4.173329753,3.514851505,7.207603304,4.119340432,3.614968552,3.774386888,7.40023762,5.657968381,4.52402734,7.214950617,10.08372105,9.149303656,6.590846451,7.151563556,10.46460869,10.77094981,9.147213584,7.223289222,9.598041034,6.703383125,9.60357857,10.22068918,7.470931295,7.389852279,4.327818386,6.886096281,6.809442103,6.377913502,7.547254508,7.675510005,7.377286129,"HMDB0037135","M+H","C12H18O3",57,-0.871742774,"1-Benzyloxy-1-(2-methoxyethoxy)ethane"]
["10.78_291.1963m/z",291.1962807,10.77648333,"neg",0,35.34887085,11.83888459,24.56051436,1.42760576,34.72316303,15.00663409,24.49048621,0,0,23.27114635,1.04294654,0,0,25.99538513,2.344215439,11.78665791,1.119448994,0,0,0.287680078,11.53262974,0,0,4.733041592,3.369669565,2.762153826,4.50868583,2.395483418,6.518088672,4.042627817,3.104203576,"HMDB0013623","M-H2O-H","C18H30O4",56.9,-0.927325148,"12(13)Ep-9-KODE"]
["1.39_86.0598m/z",86.05981408,1.390516667,"pos",2.635931894,0.423224925,0.159250354,0.163614972,0.117016676,1.212528493,0.801757531,0.155899351,7.850521619,0.439537554,1.184067874,4.544358645,0.357122558,0.67005768,1.83402249,3.694383558,1.027664822,0,1.675353361,0.122940607,5.110847499,1.81677028,0,3.002561751,3.78493069,2.847169854,2.950201377,3.408622068,2.367192124,2.991243123,3.350186161,3.786597241,"HMDB0000112","M+H-H2O","C4H9NO2",56.8,-2.194747178,"Gamma-Aminobutyric acid"]
["9.06_498.2588m/z",498.2588324,9.064616667,"pos",11.16793145,8.555400111,2.751782922,2.430331313,1.286728987,10.87362671,2.274660182,1.620006738,6.347983107,4.141698949,1.266349753,2.153571345,1.954049041,3.156815998,1.359187096,3.648421957,9.992644576,3.405766216,10.26947098,1.811016347,19.3730371,10.64763491,4.023296608,15.7000732,1.617000765,2.960836985,5.794160148,3.041632255,5.070486996,4.117594882,5.858969237,5.571387845,"HMDB0011478","M+Na","C23H42NO7P",56.8,-0.58412988,"LysoPE(0:0/18:3(6Z,9Z,12Z))"]
["12.27_181.1585m/z",181.1585357,12.26565,"pos",4.687501796,1.788022863,2.802547647,0.311815356,0.479489151,2.736766823,3.842240508,1.778301183,8.766604163,1.639725061,1.984118769,7.485440344,6.391572934,0.977818863,0.706035347,13.8328778,7.313075558,2.657831403,1.111868134,4.239626514,1.773978006,3.993708448,1.748533249,2.430626538,11.0509994,10.70851244,15.4343935,10.48773825,8.019760669,5.737898885,15.51233679,12.39118849,"HMDB0039339","M+H","C12H20O",56.8,-0.86583257,"Tricycloekasantalol"]
["9.28_211.1327m/z",211.1326749,9.2806,"pos",5.35472038,11.95842603,8.030092357,7.193263285,7.499895628,9.810068629,7.662878897,6.498776152,7.168745851,8.593444471,7.627864817,6.713894161,5.631882233,9.421406026,7.125418226,7.108828913,10.10498097,3.791828292,5.799108567,4.544272272,7.881457955,11.82581676,5.03306778,6.744131885,7.672211615,7.382348361,6.930662311,8.889103843,9.248898326,8.998706863,8.454407104,7.5191894,"HMDB0000933","M+H-H2O","C12H20O4",56.6,-0.859022485,"Traumatic acid"]
["2.46_481.2273m/z",481.2272579,2.464733333,"neg",18.9510577,17.4843598,27.15719154,25.65022022,27.97282754,16.74561921,26.46126909,24.74597721,19.04459335,17.40906161,17.35324549,28.81177155,16.540812,18.88621805,15.0088962,24.546241,32.43601853,17.13409493,22.54705856,14.01770073,14.35988914,30.55871869,16.9703824,21.19275935,22.58867156,23.52000469,18.55746405,22.14495608,19.63958377,20.5252611,20.36903481,19.35072949,"HMDB0000027","2M-H","C9H15N5O3",56.5,-0.921597341,"Tetrahydrobiopterin"]
["7.01_388.2693m/z",388.2692571,7.0086,"pos",13.47163847,9.165777698,9.832651267,17.07503186,10.96115768,11.34722443,9.093005074,16.20194945,8.380438242,11.78148494,11.02101975,13.14867934,8.105544315,12.84215104,12.88942528,15.14747588,6.668400593,6.765445623,9.375222627,6.876401219,6.714291072,6.76978085,9.314190006,9.592077021,11.02441709,9.170013128,8.109829625,10.28970767,9.890092446,10.14564811,9.52401,10.63858023,"HMDB0002886","M+NH4","C20H34O6",56.5,-0.289740368,"6-Keto-prostaglandin F1a"]
["3.60_459.2232m/z",459.2231806,3.596183333,"neg",0,0,3.20103552,6.193345327,0,0,5.854753067,5.622031821,7.438684517,0,6.065020101,0,0,0,4.682794567,0,0,16.91645968,20.3624356,16.18463275,13.07693923,0,16.11186107,16.22485505,1.236643375,2.206077232,2.950022209,2.361991597,2.846857488,3.753992961,2.752315577,1.989543502,"LMFA01040061","M+FA-H","C21H34O8",56.5,-0.942326622,"methyl 5-hydroperoxy-6,8,9,11-bisepidioxy-12,14-eicosadienoate"]
["3.73_87.0074m/z",87.00739253,3.731733333,"pos",1.241384443,1.081473734,3.594880889,3.019178716,3.296421691,1.368641117,4.413432526,3.243551575,3.054484968,3.73735498,3.249309828,3.270290372,4.886042712,2.86742148,3.198543717,2.572359866,4.292885564,5.394956576,2.769247426,3.551511672,2.951831428,6.543772287,6.063732729,4.197300411,3.205412973,3.524845516,2.879590501,4.043032319,2.918150464,4.193142559,3.01343536,3.282271933,"HMDB0000691","M+H-H2O","C3H4O4",56.4,-2.67117249,"Malonic acid"]
["8.67_305.2107m/z",305.2106813,8.6714,"pos",61.00083183,28.59394198,30.30055767,44.29136721,48.39962359,26.98316037,27.40882552,45.48632406,21.52076493,20.33687807,48.26676411,41.3091361,34.66291099,20.24533581,46.93339937,41.19012634,17.30623831,23.23784359,32.65509634,23.80535262,19.55782721,17.01673055,21.1579667,27.39117619,37.47347708,36.97870089,32.44684412,34.79729943,33.84032456,37.50888626,36.60159143,38.24750115,"HMDB0006259","M+H","C19H28O3",56.4,-1.44613754,"6beta-Hydroxytestosterone"]
["10.82_269.2119m/z",269.2119178,10.8188,"neg",10.66094296,9.729976754,11.28117764,15.55592924,8.171298334,8.479782584,12.67848319,12.0243377,9.603454461,10.7757806,11.36419967,10.09936086,8.554505758,9.04797041,8.839385791,8.56040449,10.55305653,11.86218571,10.82245864,12.9626119,8.794694904,13.64526616,15.10690808,14.40625802,11.13420499,13.06530328,13.42525991,13.5971721,10.21147155,14.76304399,11.51471311,11.82028199,"HMDB0010733","M-H","C16H30O3",56.4,-1.112555599,"3-Oxohexadecanoic acid"]
["11.03_582.3763m/z",582.3762801,11.03196667,"neg",10.83764217,34.94942444,9.783633197,5.222969054,6.792525538,36.13930281,5.408913296,5.229652353,47.75422593,20.02519206,17.4680278,14.53422206,9.509633336,22.29694657,19.66626761,13.56768926,62.7148939,6.745057748,4.246978408,9.692454979,26.17252333,60.86010222,9.791845151,8.575819576,17.06904985,23.15068361,19.86972835,20.31386817,22.03785476,26.92596374,23.01868244,19.44639742,"HMDB0011490","M+FA-H","C27H56NO7P",56.4,-2.535612842,"LysoPE(0:0/22:0)"]
["7.30_321.1700m/z",321.1700101,7.297483333,"neg",16.90567917,12.4426783,13.17046138,14.41031515,16.89696545,13.48480272,11.49953804,17.88607705,6.469943496,18.78760821,9.874929778,8.526163783,11.00608991,20.08950459,10.20006992,11.73457624,6.379364775,9.296884414,11.97149901,13.14972985,7.721408527,5.157403406,8.940809023,11.70851662,11.14013039,9.119785145,8.523847626,13.06378161,8.678009018,12.60556354,10.93088036,14.19064665,"HMDB0031463","M+FA-H","C17H24O3",56.4,-2.670170018,"[8]-Shogaol"]
["1.85_327.1081m/z",327.108092,1.847433333,"neg",15.87846673,18.04001317,7.488475785,5.884250029,8.203842342,17.90685559,6.383503763,6.640226972,22.50122991,8.661363711,10.66324873,20.61044688,10.25186428,9.198336566,13.44311955,19.77162132,12.19191684,18.21682091,8.620924435,15.89312132,17.04639016,14.61529208,14.07217886,9.093991052,15.24616616,13.42360818,16.59774685,13.81605339,12.91733025,16.10771399,16.49623073,15.49792065,"HMDB0037682","M-H","C15H20O8",56.3,-1.36906454,"Ethylvanillin glucoside"]
["4.52_451.1593m/z",451.1593223,4.5194,"pos",18.29220212,36.44930684,45.01707851,22.68565097,108.180698,37.97031333,42.66529415,32.51813491,78.27954188,46.0846127,131.9402656,54.97115109,52.70263442,46.01047901,126.7444534,53.56854523,73.46041126,37.61521825,92.34295173,62.32593413,117.4434995,68.55880669,32.63118326,87.60112225,59.13096137,61.58033609,61.75643019,62.18646732,76.958687,66.3136408,61.21547842,58.3804479,"HMDB0041512","M+K","C17H32O11",56.3,4.130150434,"Isopentyl gentiobioside"]
["1.89_397.0766m/z",397.0766301,1.890933333,"neg",4.097695231,1.905139944,3.26241455,4.942624468,2.074363501,0.950610166,3.715858793,5.167927223,3.617884335,2.911077043,3.688455504,6.109582723,3.255196684,2.734700492,3.759361011,4.884712217,9.03705041,4.210869249,6.256613746,3.823273693,4.85101985,4.599938433,2.992761862,7.452997906,3.84043493,3.08458359,2.576880947,3.588833845,3.938461334,3.829640695,3.769580742,4.067614225,"HMDB0029383","M+FA-H","C16H16O9",56.2,-2.854037521,"Chlorogenoquinone"]
["6.71_109.1007m/z",109.1007127,6.711766667,"pos",25.81914317,36.98226319,24.24790947,22.82944669,25.77396398,31.48968652,25.05868326,24.46660244,24.45072309,22.57508587,32.70028821,24.47847617,29.73283871,23.2965385,30.38890128,27.94080827,22.1996124,29.88434062,23.89291229,34.33843572,32.35860602,26.40445712,37.13469363,29.95581216,28.81754432,27.48148074,22.810133,28.05220335,25.18160169,29.62542112,26.14711161,25.9279896,"HMDB0030966","M+H-H2O","C8H14O",56.2,-3.680283321,"(3xi,5Z)-1,5-Octadien-3-ol"]
["4.96_269.1396m/z",269.1395848,4.963766667,"neg",6.193933132,3.751548076,4.117315146,7.363035113,5.547198159,3.413066789,4.245928988,4.668305364,3.414416395,2.249611966,5.615718481,2.555675114,3.649346646,3.277945738,4.813065145,3.742575555,0.770036163,0,0.622792106,0.403662171,0,0.147826938,0.28539938,1.469352963,3.219964874,2.91394343,4.77203484,2.345633061,3.582230213,3.340401969,2.529521367,2.502692758,"HMDB0037244","M+FA-H","C13H20O3",56.1,0.613025844,"(8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide"]
["10.01_227.1641m/z",227.1641295,10.008,"pos",19.18189431,14.62338127,12.59691071,16.32446584,16.35963116,15.89355043,14.8511919,15.86298376,8.512499833,6.638092637,16.47645246,11.8430253,12.20602625,7.166139147,16.22388243,12.86235341,10.02009417,6.03518937,7.514229124,5.523156742,10.59482355,9.64753438,7.393140287,9.900227096,15.98807117,17.52379002,14.36399549,12.4514088,14.68933963,15.86837424,14.69298674,14.97056964,"HMDB0037562","M+H","C13H22O3",56.1,-0.183426588,"Riesling acetal"]
["4.76_282.1492m/z",282.1492119,4.757833333,"pos",0,0,0.301327674,0.348743431,0.730973829,0.716490369,0,0.924141258,0.419145711,0.306668431,1.185651265,0.628401461,0,2.214263151,0.848693574,0.239616262,4.65411941,0.816287342,1.057590527,0,7.970955146,5.010040844,1.015841368,0.476323267,2.247002633,2.780744118,0.80286796,2.008053323,1.342412806,3.115401345,1.480984985,2.672214982,"HMDB0032962","M+H-H2O","C18H21NO3",55.9,1.19216445,"Secoclausenamide"]
["3.26_523.1806m/z",523.1805881,3.263516667,"neg",5.487994566,1.700661732,1.818033482,4.514233203,6.219070484,0.965082301,1.725002963,5.33439462,0,8.210649386,11.47449166,4.141617684,3.769878078,10.17619485,11.70889945,6.603748059,1.759222045,13.75264461,16.54153531,25.92253645,2.416633042,1.124046342,14.13608698,15.72612527,5.411114578,3.687608511,3.494388556,3.46637923,4.644008835,4.101773142,4.790781812,5.085270065,"HMDB0034751","M-H","C25H32O12",55.9,-2.884409148,"Ligustroside"]
["9.49_371.2430m/z",371.2430068,9.490366667,"neg",6.776408504,0.750850572,3.086511082,8.525412548,7.81042135,8.582180989,4.85058869,5.533480743,4.275528854,4.650523837,7.127410563,10.52620573,4.732482804,1.80217208,2.450141678,4.67903464,3.566871766,8.688949768,5.072198516,4.507947441,6.660568165,1.794074985,3.795052273,11.52385338,5.617736092,3.062715845,5.085684148,3.997746973,7.392993343,4.391159613,7.237174687,3.439368538,"HMDB0038692","2M-H","C10H18O3",55.9,-2.432750112,"6-Methyl-2-methylene-6-octene-1,3,8-triol"]
["7.01_305.1755m/z",305.1754732,7.0065,"neg",25.99862122,19.06296563,16.39781901,20.4157352,19.12520047,17.91077775,21.27772692,20.046493,13.20313082,17.97279078,16.79645126,23.28015515,20.62450041,24.07113546,21.82490766,19.16861706,11.45467176,15.4575134,17.30608658,14.42465947,13.24780702,12.99710252,14.43372922,11.59195025,17.48029877,20.41907696,14.58708107,16.33818655,13.09079334,16.24201474,15.34607057,14.89862239,"HMDB0033941","M+FA-H","C17H24O2",55.8,-1.382412406,"Falcarindiol"]
["2.81_459.2242m/z",459.2242069,2.81055,"neg",5.060923754,3.155426396,11.60424068,11.23293914,4.2998666,3.756319783,8.21277698,13.18295096,12.11800438,3.3972533,14.4322214,6.41967756,3.108268078,2.23567725,14.84235222,4.701149855,6.564550123,34.44386007,18.89690791,27.60274906,7.782388913,5.030320234,32.54371804,22.03309263,10.87624927,10.5577287,10.14953929,10.75593838,10.05581996,11.38506133,10.47740572,9.34293946,"LMFA03050013","M+FA-H","C21H34O8",55.8,1.535288815,"methyl 9,11-epidioxy-12,15-dihydroperoxy-5,7,13-eicosatrienoate"]
["6.34_355.1758m/z",355.1758201,6.343033333,"neg",3.100588798,1.09410203,3.03524352,5.196173475,8.555609581,0.993081391,3.825256885,4.782069706,5.78735842,6.885045384,10.38026705,8.155829732,4.749859315,10.86051775,11.35781798,8.524342566,1.732528669,3.984811153,6.635091435,1.404148103,0,1.895810716,2.898596374,3.763064839,8.560911848,5.021105938,7.774692608,5.123659183,8.655995378,4.596365222,6.499465829,6.303481537,"HMDB0040756","M+FA-H","C17H26O5",55.7,-1.311303279,"3-Hydroxy-6,8-dimethoxy-7(11)-eremophilen-12,8-olide"]
["9.01_222.1125m/z",222.1124982,9.01255,"pos",5.449163184,3.700266248,7.189605268,4.244239843,5.812825951,5.436200986,9.16820315,4.467986856,6.833851615,4.780667906,6.136961465,3.798351745,6.888951338,3.998006698,5.2277624,4.692407074,6.998549434,9.500669448,7.393826663,6.895147122,5.779949726,7.290181983,9.500497165,4.640344266,5.76040398,4.834913702,6.684163882,5.878875415,6.155365928,5.896026311,5.349515744,5.165445294,"HMDB0033701","M+H","C12H15NO3",55.6,0.128409063,"Hydrocotarnine"]
["3.70_575.2702m/z",575.2701721,3.703666667,"neg",6.866226149,5.80475475,6.4983701,4.515991751,5.384365889,5.614076196,7.601589513,5.584387642,4.018793469,5.615785366,4.488230684,2.804235078,4.196921874,3.928206521,2.327281354,4.618981934,2.340476429,5.68247318,3.60677931,5.979859186,6.150276869,3.876597799,6.760322151,7.743034748,5.027451424,2.73573669,4.014394263,3.252547865,3.545031885,3.192081634,6.06562204,5.669569851,"HMDB0034679","M+FA-H","C26H42O11",55.6,-1.401080464,"Cinncassiol D2 glucoside"]
["7.86_229.1426m/z",229.1426405,7.860183333,"pos",2.328432709,5.106015918,3.408865639,5.113560261,4.547407454,4.857073227,4.041419247,4.847096466,6.602794594,6.828687756,8.709738631,5.639584923,9.360669461,7.954831573,8.705736596,7.556297006,7.587947233,5.65026775,5.838097326,6.641387935,9.712661907,8.668356585,7.746963455,5.829036544,5.012650178,3.504930086,3.781254912,4.905837111,6.114437697,6.477181631,5.204592365,6.236982241,"HMDB0000413","M+H-H2O","C12H22O5",55.5,-3.229876911,"3-Hydroxydodecanedioic acid"]
["1.69_411.1255m/z",411.1254718,1.685266667,"neg",4.92878101,4.561041478,7.761205127,5.344833603,5.719885595,5.272384937,7.756399268,5.319156167,4.30024776,4.790249342,3.204515024,3.995787033,5.734254578,5.375538133,4.641794891,3.853040905,4.933060011,5.025165095,4.94184614,5.117369381,6.766388176,4.433576596,5.891949751,5.426272087,4.134115884,3.187019515,4.785685682,4.533925429,3.498900836,3.768152246,3.09294585,4.862158992,"HMDB0041623","M-H","C15H20N6O8",55.5,-3.672199786,"N6-Carbamoyl-L-threonyladenosine"]
["4.53_512.1339m/z",512.1338948,4.530266667,"pos",5.344712418,3.560236605,8.500595662,9.798747614,8.240077805,3.310535328,8.076406631,7.643582208,7.389228431,11.19939623,4.907955007,8.129855928,10.26050421,11.3324574,4.516809382,6.846321942,11.06269997,13.54957784,11.5740193,10.74580649,7.941543023,9.780138614,11.48544958,8.523095343,9.176198121,10.9194678,8.997674771,9.769631675,7.665912376,8.958457048,6.875442299,7.064641167,"HMDB0060763","M+Na","C24H27NO8S",55.5,-2.174691315,"4-Hydroxy duloxetine glucuronide"]
["9.92_195.1373m/z",195.1372602,9.916216667,"pos",7.465729369,10.88893914,8.91304682,8.7779201,6.765000585,11.10721841,10.05620378,8.110763113,5.599427635,7.45631093,9.018975709,6.876609148,8.767609852,6.124982737,9.476621568,8.761642666,5.555731538,6.385599808,4.944852679,5.952212173,8.318037718,6.101898818,8.263100119,6.571552084,5.882305336,9.249390768,8.534873252,8.866232459,9.124640605,8.698036906,9.207695259,8.98248869,"LMFA01050373","M+H-H2O","C12H20O3",55.4,-3.280922242,"8-Hydroxy-4,8-dimethyl-4E,9-decadienoic acid"]
["2.02_433.1332m/z",433.1331737,2.021083333,"neg",4.512230042,4.721180149,9.578064866,5.110906105,6.311993418,5.30801324,10.31655122,6.456386753,5.929276621,7.030051767,6.347268483,7.079238247,5.604370654,6.80973973,7.158610665,7.706643351,4.417263935,7.860215151,7.813681447,7.819581049,8.740918341,4.584098301,7.096995073,5.591179398,4.399379481,5.84139371,6.049842897,5.953688522,6.630119013,4.91750718,6.56407098,7.313662327,"HMDB0059972","M-H","C18H26O12",55.3,-4.551769079,"4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid-O-methyl-O-glucuronide"]
["9.31_440.2768m/z",440.2768477,9.311283333,"pos",2.229484441,4.47258285,0,0,0,3.71707613,0,0,3.579105272,0,0,0.358413837,1.930175781,0.515929542,1.272850297,0,10.15845441,1.498728891,0.863190469,2.041256786,17.11868487,10.01659149,1.112044878,0.427934427,2.47588114,3.248642544,3.018380875,2.219831521,2.966994795,2.281132661,2.346165099,1.515116486,"LMGP10050002","M+NH4","C20H39O7P",55.3,-0.753319419,"PA(17:1(9Z)/0:0)"]
["1.11_135.0438m/z",135.043812,1.113183333,"pos",2.571410483,1.563354776,2.852408294,2.2090631,2.640556466,2.712732802,4.192346502,3.796218632,3.875566505,3.207635396,4.035552494,4.509856919,4.212377667,4.51770166,4.664209951,3.613522616,3.635131038,2.505065806,3.115544484,2.712839686,4.265880001,4.68017247,5.834276994,4.030786046,4.327973879,3.682836897,2.367647464,3.735685375,3.52817572,5.248111232,3.40791605,4.585219514,"HMDB0000703","M+H-H2O","C8H8O3",55.2,-1.60407613,"Mandelic acid"]
["7.24_391.1733m/z",391.1732868,7.243316667,"neg",12.75955375,15.4871262,15.13965423,15.46455323,13.7690703,14.72210581,17.07867357,11.68171779,8.925420149,13.72253372,6.39245103,12.78949492,9.155936845,14.26573559,8.707650095,12.52441998,7.197315188,10.60972234,9.706492608,8.00078879,9.13203757,7.464288146,7.845846421,7.962933274,9.477717462,10.17923121,10.41822959,12.15428505,10.12676968,9.652292002,8.445037407,11.17162151,"HMDB0014256","M-H2O-H","C22H28F2O5",55.2,1.578489557,"Tafluprost free acid"]
["11.83_305.2462m/z",305.2462435,11.83201667,"pos",15.99767288,17.33645402,13.63998261,14.33102601,10.72060658,17.30795313,14.51915027,16.74401484,11.35343779,13.03360536,20.11474116,25.56616799,12.04530363,12.29996703,16.38221466,23.22726948,8.889608946,21.10036124,21.8770337,12.84158462,12.32852912,10.16230069,17.87087168,21.5985564,12.63895498,13.26378491,13.61217568,9.965152817,9.3091466,14.71524464,15.87488068,15.22047532,"HMDB0036829","M+H","C20H32O2",55.2,-4.151961499,"Copalic acid"]
["1.63_547.1079m/z",547.1078874,1.630266667,"neg",15.4650891,3.419350192,6.297392817,5.851589793,2.192396158,2.872804059,7.013491656,7.811512062,20.49698424,21.81102981,8.645125923,21.65272847,20.36825737,22.86396084,9.260450509,18.51658703,10.80577703,46.1168432,9.901874994,36.41776734,5.631137687,12.22400666,47.16167709,14.68164777,12.89151462,13.89319792,13.5148069,11.81100451,14.01932682,14.87764885,13.29985112,14.35272121,"HMDB0041263","M+FA-H","C24H22O12",55.2,-2.87101347,"6''-O-Malonyldaidzin"]
["11.29_356.1281m/z",356.1280719,11.28811667,"neg",6.142835986,5.322857251,6.666393531,6.888752829,4.850976062,4.799795717,10.03265436,8.203003921,7.757581625,4.135346014,2.452545375,5.292613154,3.244735072,3.824163843,2.552028837,4.709183311,5.422724996,8.274577811,6.749261171,7.364165718,5.894136681,6.358680781,6.864568043,7.332715348,9.875037021,10.33254159,9.288856541,8.27109068,9.683169775,7.240285862,6.346641897,5.200075105,"HMDB0014977","M+FA-H","C14H21N3O3S",55.1,-1.586068897,"Tolazamide"]
["2.49_243.1718m/z",243.1717783,2.486233333,"neg",5.652695104,19.96126565,8.187003205,5.039244843,7.431702165,18.85522109,9.108257069,4.418733542,10.22537017,2.44325967,5.471196877,3.703465356,4.363233291,2.565213075,5.134127478,3.962485936,2.53622272,1.444152288,0.965877033,0.460840674,4.341143257,2.454661564,0.649084107,0.34904166,4.752766371,5.54998097,4.248653401,4.201173447,4.53604252,4.234656345,4.986066566,4.825397574,"HMDB0028910","M-H","C12H24N2O3",55.1,1.482995078,"Isoleucyl-Isoleucine"]
["0.57_156.0763m/z",156.076302,0.5732,"pos",15.58895174,34.03385406,63.11119977,35.42675313,42.41984121,32.57428616,55.29324557,46.99807603,59.60002413,15.37466621,30.51791111,27.69182632,54.1024374,16.17338749,27.24998833,32.4184191,40.60666153,64.91787129,32.71547989,61.31695993,55.8921451,43.3354497,67.06819877,30.39761755,33.36009115,46.17944451,43.28719705,46.43914812,48.07503102,48.12511375,45.31312477,44.51617156,"HMDB0034267","M+H","C6H9N3O2",55.1,-2.908280811,"L-2-Amino-3-(1-pyrazolyl)propanoic acid"]
["9.64_345.2040m/z",345.2040452,9.639866667,"neg",5.915248369,1.898436354,5.769261563,9.643630259,5.087781673,4.327879303,7.469339937,6.753301497,2.986452459,7.726248332,10.20920958,9.198329999,12.5779169,12.59802621,9.629372392,9.681490315,9.214923782,7.987287552,14.67421319,6.104244245,9.539702911,13.3994246,5.622069599,14.10412112,5.984358097,8.968057945,6.852666447,8.076178455,9.30636303,8.030432155,12.14508382,7.532220192,"HMDB0000701","2M-H","C8H15NO3",55,2.700385072,"Hexanoylglycine"]
["1.30_307.0137m/z",307.0137041,1.30445,"neg",5.312421913,7.260628702,11.09297331,5.576117768,9.716846844,8.211347506,12.26796144,7.686610739,9.428561421,9.383280853,10.09258909,6.235792129,8.14437893,8.381812794,10.41747594,8.345461827,13.81071939,8.782475289,12.60141506,8.703442074,12.78117177,13.80710072,7.593538237,10.90858976,8.11071468,7.820207137,8.454893675,9.421831266,9.093318561,8.570046917,8.048032877,9.079047449,"HMDB0011719","M+FA-H","C9H10O7S",54.9,2.967727112,"Homovanillic acid sulfate"]
["4.81_399.1648m/z",399.1648265,4.81295,"neg",3.909330833,5.291470616,9.268048668,12.02153899,3.251146983,5.584858404,12.7081684,10.62444127,1.636310734,1.315189508,0.636432198,3.225547499,9.563892288,2.41515651,0.590856813,2.171901405,1.312177305,3.858469651,3.657593137,3.238028096,3.314051264,1.898172413,5.086818844,2.15092328,3.388338083,2.775274031,3.598395748,3.944035782,2.955047652,3.945103622,1.894497447,3.17313064,"HMDB0040353","M-H2O-H","C19H30O10",54.9,-2.940274323,"2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-glucoside"]
["2.24_572.2328m/z",572.2327587,2.2415,"pos",1.026301414,2.560656708,5.050864256,3.808479975,5.539368508,2.138167619,4.968260963,3.704739325,2.978286007,1.907816522,6.170969222,3.424497161,9.39125608,1.999642394,7.224821548,2.498257692,12.98005731,10.41502565,8.764127401,8.469449221,12.01909024,11.9655133,11.21527931,8.7230647,7.503129159,5.099630954,5.209608306,4.650611218,6.48403075,6.381823163,5.561320534,5.683459195,"HMDB0041413","M+NH4","C26H34O13",54.8,-1.818849827,"Marmesin rutinoside"]
["10.90_541.3363m/z",541.336287,10.9043,"neg",18.32267932,3.674919482,0.228972869,7.55103651,23.4909659,2.61120129,1.196287044,6.509681454,5.545397154,8.271390356,15.09150014,20.35260477,5.632057125,9.570409211,16.25366504,21.8948845,2.406268024,11.01086468,14.47941454,18.10905449,1.905521567,1.911736769,12.6402596,14.24614045,10.25210825,12.87508258,7.934163523,9.781946536,10.71015846,8.960569214,9.892193226,12.49913463,"HMDB0061702","M+FA-H","C24H51NO7P+",54.8,-4.49377524,"2-Palmitoylglycerophosphocholine"]
["7.48_510.3000m/z",510.2999893,7.48,"pos",3.111373223,3.58745862,5.046938128,3.196722174,2.465266012,3.750229143,3.954398294,2.46629044,1.420726707,4.021938013,2.223335483,7.542576904,1.346374534,2.062559425,2.189503545,2.183116111,4.6461863,2.473843866,5.481437507,2.870938587,5.56275938,6.226427811,1.048969306,10.53978106,5.055207279,2.967200361,3.355013265,4.553670568,6.101272459,3.100377062,3.284883124,3.396267577,"HMDB0006510","M+K","C29H45NO4",54.7,4.184516527,"Cervonyl carnitine"]
["2.86_349.1499m/z",349.1499034,2.864883333,"neg",8.337717537,4.006605672,3.695143838,4.248546572,7.181289464,4.520714007,3.053720126,5.466860569,3.828209098,7.889397651,5.51768157,3.92549769,8.012802915,8.67130469,8.314402886,3.101232534,2.854401022,12.80550748,8.265563209,21.90976381,5.625179925,2.069793349,12.27482606,7.083327439,4.435163834,4.846635355,4.806662862,5.50045422,5.933898926,4.7141505,6.264705506,4.307708312,"HMDB0041255","M-H2O-H","C15H28O10",54.6,-1.365166429,"(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]"]
["5.19_608.3327m/z",608.3327213,5.192133333,"pos",5.14282448,0,0.000829266,3.804886059,3.494948322,0,0,2.383413505,0.047003297,7.116678121,2.47957599,0.786503059,0.132101819,8.199593141,2.658371758,1.14287391,0.546174873,7.307708802,23.51249729,19.87614618,0,7.245301E-3,8.042492815,26.55381053,1.763266335,3.975436982,2.730874593,4.695600595,2.590491717,3.470186635,2.122324714,4.277133095,"HMDB0030528","M+Na","C37H47NO5",54.3,-3.285299712,"Janthitrem B"]
["9.94_179.1427m/z",179.1426761,9.937066667,"pos",48.28014424,76.17619567,57.23203776,50.01114633,57.74732485,71.64700221,49.83378359,49.22570726,60.10913138,61.05177598,61.43853117,57.76046457,46.08260372,59.24437211,50.86660663,57.03577846,71.75723152,44.54994217,48.26116342,45.40131951,69.34071494,67.17262744,40.76111574,46.50113792,55.28422301,53.14952901,52.68749638,57.37647972,57.2412094,51.25586096,54.18764602,54.0344774,"LMFA01030189","M+H-H2O","C12H20O2",54.3,-1.863536473,"Aleprylic acid"]
["7.32_532.3021m/z",532.3021487,7.319066667,"pos",3.969115992,4.71250611,2.742162728,4.587678265,3.323000976,4.005119023,4.132260384,5.22005409,2.732127293,9.891862903,3.014464859,2.596744179,4.607892555,10.08255798,3.937529982,2.380536894,6.542679085,4.147264496,9.322692859,6.599348608,7.038007149,6.623247421,5.771118746,7.885824009,4.835544183,4.112291065,5.270171209,5.303847943,6.042881726,4.462827019,3.387083248,3.569911589,"LMGP03050021","M+H-H2O","C26H48NO9P",54.2,-2.242522269,"PS(20:2(11Z,14Z)/0:0)"]
["7.97_323.1850m/z",323.1850095,7.974483333,"pos",13.97615479,11.87027879,10.77471794,13.92860341,14.27593241,12.30073567,11.0846565,15.3489193,13.67961429,15.45951932,13.37962101,16.0444811,13.62926046,14.64214591,12.49580067,15.6986227,8.864160144,9.880807936,13.84821938,9.505370917,9.329246653,8.634008982,10.82160533,14.05475926,12.27074858,13.43884069,11.2096247,11.58663392,13.19253685,17.74585307,14.87924839,16.49410076,"HMDB0028715","M+NH4","C11H23N5O3S",54,-3.200547875,"Arginyl-Methionine"]
["3.67_607.2030m/z",607.2030432,3.671,"neg",0.854922436,1.284589129,2.354795766,2.295161879,1.304693357,1.453758843,2.100460649,2.319678722,0.222760617,0.265137431,4.331676964,2.493451768,2.66714597,0.648907997,3.075529317,2.45143417,5.070899987,4.688994897,3.395592662,1.363272393,2.328517372,7.180079227,6.016500967,2.905873835,3.411302639,3.636162364,3.200662138,3.716479332,2.7298601,3.773972665,3.338784152,2.677631919,"HMDB0038665","2M-H","C15H16N2O5",54,-2.505125714,"L-N-(1H-Indol-3-ylacetyl)glutamic acid"]
["6.33_239.1293m/z",239.1292611,6.332366667,"neg",21.65724187,15.14872964,11.5784484,10.59817157,18.53504239,13.27232783,8.533293611,11.37656899,9.106988974,20.44668989,19.59808546,17.20143015,11.39653734,16.50545541,20.76246126,21.55416529,16.75525747,25.71685697,18.92679917,23.2861735,15.68607877,17.4880131,23.47185423,16.1949736,19.76510866,22.38174419,14.76437288,18.1065043,14.40792395,16.34895626,13.50352693,18.27844357,"HMDB0014018","M+FA-H","C12H18O2",53.7,1.949454441,"4-Hydroxypropofol"]
["14.09_492.4042m/z",492.4042131,14.08583333,"pos",3.269696662,12.00189521,12.96587371,6.694918158,4.82285176,8.255569665,13.66910905,0,8.44478415,6.24671823,16.95846853,11.45734864,16.68874022,17.91038443,11.41933814,3.988723289,15.59645557,28.46655038,19.44891148,20.21231753,15.88291957,11.20811189,26.25176887,22.64026017,14.57180889,10.55630489,9.638347405,2.257721798,13.79323373,13.11236518,17.21993371,11.9719176,"HMDB0034505","M+NH4","C30H50O4",53.6,-1.101530578,"Soyasapogenol A"]
["9.50_439.1413m/z",439.141275,9.5007,"neg",133.628071,85.99749238,78.36844955,100.9544512,92.01924314,88.07692731,80.18657059,103.3222225,69.80216155,83.37336922,97.45784488,102.6520836,90.65143552,78.42208573,88.31759358,105.3912786,38.07168474,70.30832015,63.57680149,70.20561993,42.63063195,37.46916641,70.15676085,60.87049897,84.0992273,92.15671948,95.37618133,90.93881814,94.13424706,76.30958088,72.92747151,70.86489646,"HMDB0029510","M+FA-H","C23H22O6",53.5,3.637558633,"Garcinone B"]
["2.18_513.1025m/z",513.1024636,2.178366667,"pos",7.44888134,3.336216838,5.326860801,14.03053716,3.762066193,3.964821265,6.345911847,13.99242402,4.759512167,4.657531194,8.956081816,16.48592387,5.559563194,5.673005116,12.18397906,19.05234253,44.95114991,20.36447326,21.35462747,14.61734861,7.693040884,40.22518042,18.91420551,20.69172008,12.82797684,13.42529152,11.53205423,18.5735155,20.20063552,17.1731734,16.44109766,13.23768296,"HMDB0033694","M+K","C20H26O13",53.4,4.143554106,"trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester"]
["4.96_583.2221m/z",583.2220908,4.963766667,"neg",4.829691833,6.075126702,5.64966504,7.040315232,8.277657078,4.942526383,5.29921791,5.76493573,3.634855291,5.837251763,6.136676908,8.987453175,10.09297788,6.05492476,7.9683335,8.297005035,3.250806239,5.225772382,5.443794448,12.91060197,6.950949766,4.149852772,5.528854199,5.799569613,5.49555443,7.717235568,5.265774486,4.832597838,5.332244873,5.816676545,5.669731643,4.909765674,"HMDB0041269","2M-H","C12H20O8",53.3,-3.881957753,"Pantoyllactone glucoside"]
["7.81_321.1698m/z",321.1698273,7.810633333,"neg",12.70917118,6.500627568,7.116446406,10.70528211,5.819223226,8.50226518,4.003462059,12.4463878,1.900134557,8.224836196,6.487578465,4.093268146,2.486291155,7.797885113,4.747071632,1.58745352,3.000381817,5.243905078,6.708578903,11.37195345,0,0.535781066,6.688468073,6.957180277,7.014717346,4.514631826,5.124654153,6.187686503,6.376983548,3.765173433,3.73937289,3.217997636,"HMDB0015586","M+FA-H","C17H24O3",53.2,-3.332021522,"Cyclandelate"]
["9.76_382.1428m/z",382.1428435,9.764116667,"pos",4.313101013,9.595015682,4.880377351,7.298741698,7.236182563,7.71994375,4.805366551,6.500145908,6.048264179,9.346632058,4.68594994,10.47255728,5.49464415,8.121347668,5.076133912,5.19489583,7.569766834,4.743455665,4.984931105,5.232910849,1.726171871,6.576941659,4.079574035,4.66353457,6.320819399,2.969976645,4.846584344,8.406836874,5.881470893,6.674976443,4.626406343,5.779503703,"HMDB0060784","M+K","C20H25NO4",53.2,3.867094539,"6-beta-Naltrexol"]
["2.47_189.1272m/z",189.1272094,2.473433333,"pos",4.704764426,5.522735354,11.21227535,6.644862663,6.140571227,5.397974198,11.51274587,6.938903762,9.606943133,10.37844576,6.150154678,5.166733644,9.645983732,10.00276983,5.829865496,5.437948444,7.492787589,8.686374859,9.233045902,9.691132729,9.391947142,6.903714775,8.595945106,10.69787731,7.201655195,6.145225678,6.153309045,7.465776216,6.270426637,6.416926885,6.856850103,7.163337909,"HMDB0037604","M+H-H2O","C13H18O2",53.1,-0.883832672,"10beta-12,13-Dinor-8-oxo-6-eremophilen-11-al"]
["5.20_609.3104m/z",609.3103586,5.1971,"neg",1.20028623,4.515900281,0.948081303,3.711319385,4.225521701,3.376099573,2.734583595,2.289563879,1.157075206,2.876336895,3.278239563,2.683834591,4.883462479,2.242035197,2.90507605,4.363931089,3.983305956,4.179250597,1.250090163,3.348788961,3.149085324,2.68098457,4.131453572,3.345197464,2.169397893,3.797732304,4.590773215,3.241797262,2.483978279,4.017606039,3.191292893,2.774356492,"HMDB0039161","2M-H","C12H23N3O6",53.1,0.432703064,"Syndesine"]
["2.38_599.1964m/z",599.196436,2.378066667,"neg",0.463571245,2.276284832,8.376074778,5.184626425,5.617827599,1.990199811,8.564799897,6.576565723,1.861492683,2.193973475,5.841329712,2.151834529,5.667987512,3.048972467,5.946574492,1.46272226,6.231433859,5.509495839,3.449672941,4.023921696,5.611132018,7.183243161,6.810264069,4.258299476,4.90751843,5.176410005,5.354864252,3.401429525,5.282409675,4.063583538,3.588318428,2.73871897,"HMDB0041413","M+FA-H","C26H34O13",53.1,-3.081923765,"Marmesin rutinoside"]
["8.00_383.2426m/z",383.2426306,7.99595,"neg",3.117769171,3.847833391,2.141671784,1.812190289,9.179583015,4.199737935,6.150477804,1.490071885,0.653683207,9.70485232,7.077715033,5.077786267,6.134083513,5.682059176,7.568771235,4.169099449,6.223205996,3.510504479,8.189274577,1.061058109,4.833162358,5.715863158,3.886468471,10.91225168,4.376385024,7.013719731,1.941598416,7.378480252,5.107955933,4.197450732,5.389352948,2.744535682,"HMDB0002265","M+FA-H","C20H34O4",52.9,-3.789543814,"14,15-DiHETrE"]
["2.83_164.0720m/z",164.072048,2.832216667,"neg",2.013830697,2.461724352,4.735097472,3.089634739,2.934670756,2.783584558,5.023929267,2.900541223,3.790196922,1.967110875,2.988034284,2.399443849,3.242178788,2.699799073,2.557700777,3.196799937,3.036960903,3.420092327,3.191608895,3.766517758,4.178463923,3.235651414,4.594921249,3.372682153,2.416139417,3.004653874,2.928996774,2.964156706,2.978792917,3.363125899,2.924563664,2.945475483,"HMDB0000159","M-H","C9H11NO2",52.5,2.095096256,"L-Phenylalanine"]
["4.99_563.2125m/z",563.2125322,4.985266667,"neg",91.0870285,73.12166384,74.66127651,122.8164763,69.85419481,61.20608221,89.83277168,111.341921,56.8425604,68.31081783,175.9239955,202.7048525,64.63223402,75.30450307,176.7827511,201.7042013,281.6034239,145.6048205,125.5088621,111.3115224,106.9604644,298.3011447,151.344352,131.8377943,129.1148607,131.6877083,131.2877317,144.2837604,147.656756,143.5517976,142.0561783,138.7586991,"HMDB0038922","M-H2O-H","C28H38O13",52.5,-1.490805671,"(7'R)-(+)-Lyoniresinol 9'-glucoside"]
["10.26_554.3443m/z",554.3443161,10.2565,"neg",37.60870316,47.71311196,25.69122149,12.52119462,20.45310229,53.62169583,29.54819434,16.77627409,52.41806325,37.37125383,36.70724202,20.40293854,34.81603564,36.52230979,32.72582539,28.80773299,122.3290776,59.1073265,45.65094484,62.87700363,135.1539335,126.0460939,58.30619559,46.63637034,39.55054648,42.17238698,38.21757076,46.72793364,50.45690082,46.86965136,45.25843876,50.70051078,"HMDB0012108","M+FA-H","C25H52NO7P",52.2,-3.978417627,"LysoPC(17:0)"]
["2.82_419.0966m/z",419.0966453,2.818083333,"pos",8.83040395,0,1.120645018,1.511963913,0,0.164395643,0.819359679,0.659767,0,1.257842381,0,0,2.901977509,1.082758184,0,0.166998441,1.372013222,7.604945958,3.358749076,10.33879678,0,1.335536693,6.493650661,2.578651367,2.245424373,1.484422312,2.502979692,2.481344288,2.214037543,2.311742548,1.894043334,2.283632113,"HMDB0041418","M+H-H2O","C20H20O11",52.2,-1.439801185,"Taxifolin 3-arabinoside"]
["2.75_332.2174m/z",332.217369,2.7462,"pos",10.89345279,22.7867605,14.87308906,9.712056188,8.643175334,21.57002893,13.16628658,9.384310994,13.78447715,6.002084498,7.566304616,6.890812752,7.066427728,4.71696347,8.055104352,6.838828533,3.893690381,3.078453578,4.084444454,2.877371383,8.413490427,3.720728709,2.728710936,3.854329742,8.025671723,7.746885898,7.479871797,7.510080301,7.691139872,8.293001632,6.878743173,7.87012374,"HMDB0014924","M+H","C15H29N3O5",51.9,-1.897596703,"Marimastat"]
["1.50_72.0804m/z",72.08042098,1.4978,"pos",9.638450673,9.525731853,15.00638024,10.21507523,11.75984818,13.63194078,19.32104587,12.91615255,17.91601106,13.28608168,15.00072362,13.52500356,16.70008462,11.46564099,13.46040763,12.60292113,14.64564677,14.9213541,10.76750726,12.69261526,16.17168129,17.25722592,18.72124538,19.70813894,17.46677669,14.62459999,13.08651204,16.56494056,11.34284431,18.15629466,16.37256253,16.30305284,"HMDB0031641","M+H","C4H9N",51.9,-4.99127561,"Pyrrolidine"]
["18.92_158.0030m/z",158.0029963,18.91575,"pos",29.15562416,23.99980719,28.83677549,24.6898906,29.08843307,27.87796057,31.97895353,26.49836352,25.66108628,22.76583045,24.09303231,20.54781064,22.83229676,20.49764267,18.46029245,18.3158259,17.32366745,22.24060257,16.77970791,21.84487688,20.68169585,18.61341883,20.75648198,16.6207253,30.87208229,32.323126,29.73068574,27.4438595,19.96823519,17.81319318,17.68178321,18.48923383,"HMDB0032930","M+Na","C7H5NS",51.8,-3.663112732,"Benzothiazole"]
["1.15_209.0441m/z",209.0441185,1.14585,"pos",3.085351096,2.872209581,4.712200164,3.346765153,2.744715834,2.589211936,5.411077637,3.882266563,4.038126309,3.872050548,4.66376953,3.690676252,4.481132478,4.457003199,3.986106982,2.684985939,4.51091589,3.931762504,5.354005429,4.32123009,5.492499919,4.856160325,4.619970006,5.873243858,4.61489724,4.290088676,4.142990921,4.313262454,4.273076966,4.575700833,4.417389245,4.31920525,"HMDB0012199","M+H-H2O","C10H10O6",51.7,-1.465383589,"Chorismate"]
["5.89_257.1391m/z",257.1391199,5.889716667,"neg",9.627944421,3.79904218,3.718109762,6.368848476,7.075178315,4.084151162,5.429822306,6.635071793,3.655117828,4.117741101,5.747016462,2.769669409,4.353630619,3.99816877,4.865680945,2.70947114,5.3718276,2.965924582,8.157219044,4.026887583,7.468152821,5.040176819,4.127498718,6.601353082,7.604369272,5.585364296,5.508452908,6.255081776,7.289337158,7.475619173,5.881963926,5.380736716,"LMFA01030787","M+FA-H","C12H20O3",51.7,-1.543623691,"10-Hydroxy-3,7-dimethyl-2E,6E-decadienoic acid"]
["1.30_107.0487m/z",107.0486821,1.2963,"pos",11.3914282,12.00251526,18.60773632,14.18244472,15.74332753,11.44559392,18.27546179,13.14338516,15.57819278,14.25728168,14.05273824,11.54828795,14.20684052,13.57231251,16.17246331,11.69924453,21.5682146,22.61761497,18.49497061,20.65464745,18.40476255,21.59136459,23.57224023,18.38787534,16.98209661,15.41363839,15.11520767,17.549932,16.93150089,16.49565008,16.88263131,18.5607052,"HMDB0006115","M+H","C7H6O",51.6,-4.329685266,"Benzaldehyde"]
["11.40_596.3910m/z",596.3910032,11.39528333,"neg",16.18536615,38.39176939,35.61055475,21.51100708,20.16620055,36.06734259,37.10191009,20.19521956,39.15915413,33.3289415,27.43158401,25.71234187,31.66526597,30.40411717,28.22013554,23.9991206,55.19539417,27.92121389,34.69717311,27.22804042,80.50676868,48.82008223,27.40178484,40.29723932,32.79431881,28.7523244,31.96708478,28.30647176,33.16867454,35.10098343,32.26280602,38.4291816,"HMDB0015387","M+FA-H","C30H53N3O6",51.6,-1.153545509,"Aliskiren"]
["2.22_395.1918m/z",395.1917672,2.216416667,"neg",4.186189303,3.921452229,19.44801759,9.554657559,11.05934239,4.145025331,20.62715443,10.27799687,3.638849667,7.189900822,2.579495026,2.206637325,12.10418521,8.82331616,3.735455892,2.944753922,3.802721639,15.18909654,8.101671404,15.12289297,4.328176196,2.568397545,16.44443972,6.061119511,4.713910622,4.472891053,3.638558579,4.273226417,3.16394043,4.538570516,6.045455712,3.652472,"HMDB0034784","M+FA-H","C16H30O8",51.4,-1.437947985,"trans-p-Menthane-1,7,8-triol 8-glucoside"]
["14.08_591.4603m/z",591.4602898,14.07746667,"neg",23.75533367,47.48564547,19.32040131,29.52681019,71.53294192,35.62597703,18.32677736,29.33851467,48.12744775,48.11937758,55.7995049,36.55220978,19.2725452,50.36210045,47.51666032,36.1837241,27.34737386,12.18181208,19.22234091,16.27759336,34.69915905,21.00430131,12.90897621,19.55438123,37.67082802,34.12259925,34.85522667,35.51689772,33.66135001,33.49799006,35.17090207,35.35008822,"HMDB0040921","M+FA-H","C35H62O4",51.4,-4.983927073,"Diepomuricanin A"]
["2.47_201.1594m/z",201.1594421,2.473433333,"pos",1.068824057,0.947924817,1.399581644,1.553280441,0.252527944,0.969393047,1.321486237,2.798596366,1.244534097,1.030746709,0.867136724,0.916901061,0.968467712,1.425308183,0.587903007,1.569028044,1.295508457,0.505205621,0.812802014,0,0.547174724,1.436453134,0.861890679,0.558669731,6.364014096,5.995889487,6.716033173,8.611328464,7.995510363,7.138448833,7.334140672,7.611436643,"HMDB0015239","M+NH4","C10H17NO2",51.3,-1.704688806,"Methyprylon"]
["7.56_801.2050m/z",801.2049957,7.5648,"neg",26.81093395,13.27466171,14.44486855,28.03224665,12.64356687,16.37851176,20.04039406,22.56153631,12.30107754,28.42067919,16.43792644,25.92866622,21.63843253,25.29208767,17.94372417,26.67621254,19.06958568,19.86368633,23.57782293,32.78309879,16.86247249,15.73178508,23.67283599,26.75633767,11.64686364,17.73690701,17.1640597,13.71536528,17.3369679,13.98137475,20.98204969,17.28661536,"HMDB0014851","2M-H","C19H19N3O5S",51.1,3.974825642,"Oxacillin"]
["1.47_253.1547m/z",253.1547355,1.46505,"pos",2.214267334,1.154222899,0.94956777,2.010685668,1.613290156,1.492750248,2.552076134,2.652131138,1.201694039,2.713249516,3.45002646,3.536515554,1.445793647,2.62486776,3.177071635,3.183397191,7.70639617,2.078020332,2.814120911,1.441049242,0.172160181,10.04874523,2.952231905,2.625874515,4.196356944,3.871599213,4.424669458,5.007669677,5.124840619,5.111047904,4.75822828,4.539230825,"HMDB0033610","M+NH4","C13H17NO3",51.1,0.283076432,"Pandamarilactam 3x"]
["12.23_603.4288m/z",603.428809,12.23455,"pos",102.361334,88.90591903,40.41234426,63.39201921,56.52346341,93.42511693,29.42238588,72.08530197,85.69782136,78.87000344,88.99770297,90.31766066,59.65518533,72.14379369,78.09142,86.4206585,82.5311702,55.75674926,48.98032248,46.72474999,34.69502233,69.77533959,59.87608161,27.01531669,76.25359615,74.20513938,73.12290161,41.19749079,45.24028244,23.60981096,54.95920221,49.80267982,"HMDB0014347","2M+Na","C14H30N2O4+2",50.9,-2.629970731,"Succinylcholine"]
["9.77_307.1908m/z",307.1907793,9.767533333,"neg",19.9653345,20.07571094,13.35096696,21.90575367,22.49699925,18.19692944,10.69676165,21.5742522,19.65535172,28.43497,27.07871966,21.65603811,18.11506898,26.35027307,26.20037401,24.15047969,27.59051338,26.58750173,32.5130403,38.39476947,11.44306163,22.16330833,26.3034735,27.66941031,23.29243395,20.12749316,19.83422645,21.86242701,21.78184778,19.00821421,22.54341856,18.7024144,"HMDB0033957","M+FA-H","C17H26O2",50.9,-2.683661417,"Crithmumdiol"]
["3.53_173.0823m/z",173.0823061,3.53235,"neg",10.81087431,8.756282609,24.49826782,17.90942291,27.20213337,9.61304378,23.67681578,19.68811903,12.00982573,16.52845037,16.34252018,14.00568669,30.720756,17.96077764,16.26756014,16.47104228,29.48765611,44.65566166,22.15247222,36.19090976,21.55819246,29.6476813,49.50782891,21.06947058,16.90482684,18.88305777,17.36529113,19.0546985,19.725246,17.50888615,20.70591373,19.5870433,"HMDB0031174","M+FA-H","C7H12O2",50.8,2.917007687,"4-Methyl-5-hexanolide"]
["11.80_482.3241m/z",482.324126,11.80055,"pos",178.256583,139.9610378,96.85184437,150.3509962,110.9214984,131.9768955,97.58812255,147.3192144,83.87753844,122.7996246,106.1850043,115.3859341,93.60630636,121.0703163,111.0676407,112.2311792,76.5184294,105.1802539,113.9008822,114.2403331,74.05157063,70.71351401,102.876934,118.0646296,103.1200812,99.25398084,106.0002815,105.6908635,97.80728794,107.1820209,108.885547,104.4464954,"HMDB0062305","M+NH4","C23H45O7P",50.8,0.021722655,"1-(11Z-eicosenoyl)-glycero-3-phosphate"]
["7.29_388.2700m/z",388.2700354,7.285883333,"pos",33.36750815,49.67073434,45.37101163,47.42488282,61.39474178,48.5097395,45.25571246,49.3996988,55.90034585,50.87618298,45.7750965,58.1967209,32.15390146,48.09245187,53.77952784,65.22362429,36.38108738,31.41771658,36.80580965,20.89169986,37.39067127,32.82963993,29.17455105,33.57340281,52.74362214,44.97610993,45.10669922,44.94631935,49.01153694,41.79107439,40.86556013,43.90755909,"HMDB0003252","M+NH4","C20H34O6",50.5,1.81266241,"Thromboxane B2"]
["2.18_515.1175m/z",515.1175248,2.178366667,"pos",12.90466954,6.918379473,20.63071859,28.55707007,8.407180315,7.643369346,19.76440763,29.40282508,10.10881496,10.46499617,19.66463957,30.57315775,9.791364451,10.73311902,19.75059277,38.08063836,86.93845691,33.41697326,43.83907444,19.99774736,22.42237623,83.57233749,32.37858796,33.53044278,27.18007227,30.29085535,29.1472426,28.56639328,28.34089837,26.43464037,25.28681805,25.10352083,"HMDB0039246","M+H-H2O","C25H24O13",50.5,-1.649657296,"6'-Malonyltrifolirhizin"]
["6.24_201.1632m/z",201.1631873,6.23615,"pos",0,0,5.638476464,4.633899041,0,0,6.815184367,4.68658653,1.739606037,0,3.737200669,0,0,0,3.037123736,0,0,13.7222356,6.439731887,8.627492478,6.089821442,0.10231941,14.85210037,7.737350365,0.842445931,1.141713443,1.212269425,1.491929796,1.271355112,1.70836452,1.239397621,1.158967078,"HMDB0094674","M+H-H2O","C15H22O",50.5,-2.703301165,"N-Octyl phenyl ketone"]
["4.12_227.1292m/z",227.129194,4.119483333,"neg",63.39327545,42.40555941,53.96513583,63.27490148,83.68136329,41.42652664,51.40238515,68.3083061,49.28068906,59.80676254,92.09988646,111.8280883,71.87137729,59.44108776,91.09336139,110.7614838,91.17131061,89.18109256,84.10699016,78.2341323,59.58571038,91.91492566,79.76751078,86.10876775,71.80157569,73.66269107,70.26113619,72.71059677,74.72986931,85.43396957,78.27480576,81.27855334,"LMFA06000016","2M-H","C6H10O2",50.5,1.364626102,"4-hydroxyhexenal"]
["12.31_313.2377m/z",313.2376587,12.30723333,"neg",13.3830719,6.839789263,6.318084597,7.09223296,7.866375249,7.965600111,5.023395741,9.435712662,7.383599874,8.227608258,11.16102337,12.59126387,12.1843027,9.629756276,10.10549461,12.15542203,18.96578137,15.6078891,13.19967567,28.10462767,13.41359153,18.99497686,11.55564654,11.05882871,45.26008607,45.9648299,43.83081503,45.68384412,46.0405976,46.89868317,44.5297989,44.60413635,"HMDB0000782","M-H","C18H34O4",50.4,-2.464405449,"Octadecanedioic acid"]
["9.80_395.1521m/z",395.1520971,9.799516667,"neg",10.86458391,44.72896404,17.64965289,19.56575937,26.46563947,46.95564949,18.09504096,17.74094951,34.56038978,27.33426027,26.19720638,24.99634932,15.74973862,20.24924147,25.9040647,30.50621195,32.00071981,8.631148962,11.57744687,14.39761606,27.34584845,26.4488556,8.073806617,13.96043269,18.29353501,19.24213526,19.28409219,21.84978436,15.6573252,18.43078455,21.14548851,20.69713617,"HMDB0034217","2M-H","C12H10N2O",50.4,1.887280485,"Harmol"]
["6.85_475.1959m/z",475.1959077,6.847883333,"pos",2.040663633,0.448773623,0.371065974,2.963441723,0.588781662,0,1.325331247,2.592840917,0.815209533,1.965420033,4.418767214,9.312771807,1.789932251,2.103979519,3.739803832,7.800060027,24.38984275,8.723150474,6.964204985,4.656589004,3.233837901,25.37868459,9.757992203,7.538940061,6.615587392,5.653170873,6.443217269,4.778019327,7.479656052,6.893591607,6.609087642,5.415949979,"HMDB0037158","2M+Na","C12H18O2S",50.4,2.621254129,"3-[(2-Methyl-3-furanyl)thio]-4-heptanone"]
["6.77_255.1240m/z",255.1240304,6.77235,"neg",35.84417718,15.36476304,26.23259672,27.45973433,46.55654167,25.01336998,18.3823142,29.14653719,23.89979326,27.78887535,27.48248006,28.20599656,15.57949696,24.74870128,27.14508024,18.18656732,75.72686666,38.27101324,71.27861384,54.62643121,64.70750036,86.59395219,48.40789306,78.52026873,51.8896448,48.18075401,42.91919671,61.36734162,47.72708161,56.31172997,43.65640161,56.25894101,"HMDB0037642","M+FA-H","C12H18O3",50.4,1.109121577,"4-(Butoxymethyl)-2-methoxyphenol"]
["9.21_382.1432m/z",382.1431515,9.208466667,"pos",21.12736398,35.88835065,23.22704474,26.66662979,25.87362153,37.86040506,23.71462599,25.25370968,31.43053057,31.40611831,25.81466753,32.48924851,21.68655062,29.70992056,21.51768462,25.40912049,26.67014394,19.35552809,22.02860936,20.40817557,23.48341193,27.61591891,20.1849972,21.65803528,27.00604975,26.84685911,23.7536843,28.81252279,26.62175822,28.6106242,28.48498254,23.66529934,"HMDB0030211","M+K","C20H25NO4",50.3,4.764786154,"(R)-Laudanidine"]
["9.38_391.2457m/z",391.2456769,9.38325,"pos",59.88528375,213.9513391,85.15440934,94.48560662,128.336843,246.4709184,84.42185262,105.6249973,150.3346905,84.32115348,93.91552211,128.5892902,88.51518628,77.16026218,88.64615582,136.9779216,104.5007207,30.99418639,71.44868195,55.12443588,135.9752624,107.8837838,38.32563977,67.18055026,80.74564979,82.15221297,82.38995594,76.01577807,100.2447904,91.40424923,85.58455667,88.24858942,"HMDB0037961","M+Na","C21H36O5",50.3,0.494101202,"gamma-Eudesmol rhamnoside"]
["2.60_529.1337m/z",529.1337419,2.5994,"pos",27.98073606,13.6914634,17.62190241,21.958538,11.28862339,13.09214605,15.52842223,22.59693875,24.22068326,18.45912364,31.04482161,31.64726316,20.39913523,17.32308491,29.05215697,36.66954968,31.21846862,24.38370344,35.3253586,20.61291606,28.98360403,33.31203253,29.68416574,28.417028,31.18388117,28.38659208,26.31988816,27.48799251,32.63378079,25.83490353,26.94951301,23.48721546,"HMDB0037352","M+Na","C24H26O12",50.2,4.139073638,"Caryatin glucoside"]
["5.08_201.1138m/z",201.1138062,5.079266667,"neg",68.81972144,49.45753349,40.76720509,47.09062485,57.84816577,53.38548546,36.06207728,47.89020586,48.95069809,41.28764341,51.00264821,47.57783591,40.91525177,37.95349177,47.79791646,45.5810567,26.07018168,29.79569332,34.56530708,38.52256268,27.60406057,26.58603009,28.57252716,36.64277448,45.16630697,43.03885884,43.90630936,50.55959775,42.9704922,45.58089091,45.78053616,45.19711766,"HMDB0000792","M-H","C10H18O4",50.1,2.837902192,"Sebacic acid"]
["0.91_156.0055n",139.0021654,0.905616667,"pos",43.35733346,46.96033816,76.9385777,47.45583421,61.14492381,48.78945904,76.09354271,44.9661726,48.20503674,62.41742582,56.1468898,40.9304288,56.90208925,61.71347461,53.06893554,40.81953759,61.36071023,52.4723973,65.03178791,49.43826141,60.83389924,59.27623475,49.26242434,65.14205207,54.32932816,54.69699358,48.79466497,56.61804724,57.57925772,57.42612687,52.89039148,50.73940928,"HMDB0004812","M+H-H2O, 2M+NH4","C6H4O5",50.1,-2.689751517,"2,5-Furandicarboxylic acid"]
["10.93_277.2160m/z",277.2159725,10.92841667,"pos",3516.118318,2879.006342,2414.306145,3045.796869,2409.004955,2668.64343,2171.293581,2939.348342,2720.54235,2130.371521,2550.801045,2931.956483,2778.704449,2045.385168,2476.30109,3128.434266,1325.489848,1924.384913,2015.367206,2201.707833,1688.717423,1212.933724,1830.766614,1784.947353,2600.653844,2551.194346,2574.971456,2529.234922,2818.514865,2532.213171,2342.932943,2482.209824,"LMFA02000239","M+H-H2O","C18H30O3",50.1,-0.79553903,"17-hydroxy-linolenic acid"]
["3.02_283.1538m/z",283.1537508,3.024816667,"pos",7.386418597,11.38181006,14.69565834,11.1350331,14.03564415,11.30304889,16.18520012,10.23805914,11.66847098,15.08521575,10.95181671,10.98941303,12.73745187,14.45658323,10.12117616,10.77339914,11.60846663,8.249598397,12.03464715,7.849360664,9.624005408,13.55845077,9.437828983,15.03993989,11.4717054,11.87296315,10.69312705,12.53289082,11.72565179,12.78824829,11.20152895,12.46278877,"HMDB0034983","M+H","C15H22O5",50,-0.883967929,"Cynaratriol"]
["0.64_145.0621m/z",145.0620648,0.637166667,"neg",2615.985266,3115.707542,3481.45575,2562.873266,2451.869938,3324.020434,3397.316044,2574.762595,3156.133761,1979.704361,2441.435442,2104.25456,3015.482978,2108.803844,2538.992496,2229.545198,2715.050831,3248.013992,2770.057381,2837.15686,3224.441505,2821.149468,3260.697445,2426.585401,2806.206332,2742.423494,2565.954844,2850.126257,2769.319482,3188.758244,2737.01416,3084.235118,"HMDB0000641","M-H","C5H10N2O3",49.8,1.362463095,"L-Glutamine"]
["5.31_772.4474m/z",772.4473727,5.31435,"pos",23.02488776,23.97232911,48.61905064,36.63390119,34.20768827,23.55237989,52.29810775,36.6693795,33.69829854,35.06697269,15.40776704,15.61343142,38.84189767,37.26838759,15.74707535,17.79898732,29.23389386,23.43451257,32.09502468,20.61759229,22.77292239,25.42306452,18.05720737,33.43120028,21.53168031,17.3847196,20.41029276,20.07705469,20.6114266,16.35791281,17.76075428,17.0594312,"HMDB0034211","M+NH4","C39H62O14",49.8,-0.542811135,"Agavoside B"]
["3.51_533.1648m/z",533.1647519,3.513983333,"pos",10.08149594,12.98849793,24.58563843,22.69382228,18.88972568,9.842250083,28.03617936,19.55966215,4.892844439,4.702315443,6.567615452,4.534099023,15.40747259,6.991375072,8.5071464,7.662100816,9.968606628,10.94306796,6.176529197,14.58712164,23.72582039,8.762870326,8.627858408,5.075020249,7.073367069,10.9027446,8.1270568,9.625029281,9.528197541,8.840111495,8.990969807,8.086901583,"HMDB0036332","M+H-H2O","C26H30O13",49.8,-1.092238855,"4'-Hydroxyacetophenone 4'-[4-hydroxybenzoyl-(->5)-apiosyl-(1->2)-glucoside]"]
["11.27_277.2160m/z",277.2159521,11.26585,"pos",3841.30341,4802.667043,2945.374348,3540.297605,4234.518715,4696.701795,2820.754117,3334.791698,3194.696265,2900.5565,4202.920483,3986.817634,3264.500239,2738.81298,3738.516843,4000.768033,2354.398191,2348.71638,2747.727577,2712.723499,2996.228257,2291.18606,2209.848883,2544.085564,3519.832003,3573.460052,3387.136885,3444.238351,3627.281777,3488.624788,3379.065231,3366.931253,"LMFA02010004","M+H-H2O","C18H30O3",49.8,-0.864828936,"(9R,13R)-15,16-dihydro-12-oxo-10-phytoenoic acid"]
["9.62_540.3290m/z",540.328968,9.6187,"neg",71.75293546,79.69972425,47.65083463,65.22605162,50.19936771,76.47670609,48.41508542,60.79525338,170.5619806,67.21311707,66.46383018,348.2204531,87.03498575,71.22966502,68.21557853,348.5809319,109.95424,83.93372242,97.05050804,83.47507953,192.4529863,111.1965231,91.51149877,95.79283276,79.13965245,79.81528253,75.18473536,77.19666053,81.4932436,84.63261874,81.18841115,82.72541709,"LMGP02050028","M+FA-H","C24H50NO7P",49.8,-3.481430286,"PE(19:0/0:0)"]
["8.28_460.2690m/z",460.2689866,8.275816667,"pos",51.99767912,41.2763291,37.13898617,31.12565412,30.49720992,40.14790514,39.03235002,27.35000544,44.72408532,48.43680324,24.48995651,13.21790788,22.73674245,45.66143569,22.77185977,16.6820864,31.74888332,40.85297198,31.8427146,40.24789773,25.99136393,25.15998276,39.16136437,25.42340457,96.64607024,87.9802718,83.51121524,84.15013397,86.92801577,84.88214499,74.96974577,78.23917412,"HMDB0031958","M+NH4","C26H34O6",49.7,-0.854258417,"3-O-Acetylepisamarcandin"]
["6.46_227.1293m/z",227.1293038,6.460866667,"neg",12.55610971,16.57360729,14.1974525,12.81994568,10.25123188,14.99688774,18.72485845,14.06925308,15.4056161,11.22471883,9.564977713,11.82967767,9.082575399,10.82608581,10.16138782,13.14632327,8.700815604,4.378528526,7.048717742,4.865477997,6.777775059,6.451025389,4.41262608,8.380981054,9.802194927,11.40718763,9.949402443,12.84200829,15.18071495,14.57142994,11.40390106,10.15095757,"HMDB0000413","M-H2O-H","C12H22O5",49.6,1.710991898,"3-Hydroxydodecanedioic acid"]
["12.50_566.3449m/z",566.3448674,12.50121667,"neg",10.83400418,18.30410887,12.51085171,8.966916678,15.97511108,20.20542039,12.29199392,9.419055435,4.508378402,10.28165122,3.764295863,14.97454231,1.974050046,8.630012173,2.55606294,12.76884126,1.299536368,0,4.826562527,1.02048358,6.263830268,0.819743472,0.481401162,5.686238604,4.715967997,5.61147115,7.653482141,6.389882883,6.224892921,3.841603663,1.793467487,3.973629687,"LMGP03050026","M-H","C27H54NO9P",49.6,-2.600031214,"PS(21:0/0:0)"]
["11.21_703.4391n",748.4387993,11.21311667,"neg",6.935201086,7.697336455,3.679863262,4.050678541,23.21132434,6.689354372,4.807911621,7.543782343,4.297105083,34.46950651,17.680136,9.239063025,6.941224807,38.72210994,22.17162971,11.19761045,36.46037592,14.40469379,39.50267106,19.48864836,26.95408065,37.43482752,14.94723683,33.68267168,17.92847936,20.90668894,19.66031402,19.93370189,19.64828484,21.64506745,21.54653047,21.01472729,"HMDB0012344","M-H, M+FA-H","C36H66NO10P",49.5,-4.738107334,"PS(14:1(9Z)/16:1(9Z))"]
["2.54_561.1927m/z",561.1927429,2.540733333,"neg",11.35815157,16.82740986,17.23172368,15.30637797,24.22940906,17.87852037,15.31481749,13.65829652,8.218502171,18.07081092,14.99244918,17.71887905,7.749372665,18.99812099,12.69279893,13.01943136,15.92642348,6.552357953,15.6716834,5.269091488,9.569924808,14.05962443,10.21381517,15.81931939,13.84137547,15.94677121,14.28069722,15.30844859,14.76232034,14.6223802,14.20858774,14.54177062,"HMDB0040693","2M-H","C12H15N3O5",49.5,-4.129986644,"N2-(gamma-Glutamyl)-4-carboxyphenylhydrazine"]
["0.65_180.0637n",179.056434,0.647816667,"neg",506.7828293,389.0819177,527.5274642,330.1272507,383.2248221,352.0270386,425.5212053,377.4569883,371.2124578,473.6087526,446.883612,485.7055266,508.1264864,476.4834396,497.6567283,393.8105086,457.6650757,654.8988041,508.0527417,540.3914834,475.4486163,467.6402932,589.979627,600.6764957,435.8496912,440.953025,466.986553,405.8514959,423.3470729,475.5216463,501.3619844,516.6169346,"HMDB0000660","M-H, M+FA-H, M-H2O-H","C6H12O6",49.4,1.790243782,"D-Fructose"]
["0.68_193.0705m/z",193.0705171,0.67625,"pos",102.2868472,60.92720659,53.5636165,82.75625527,41.46633232,55.02213252,49.29848189,68.47636447,68.1643913,106.7516995,71.98401827,103.0042047,74.99247754,73.43466812,68.65533438,86.72395352,99.84082609,176.6480258,98.31154869,194.0897456,65.25884744,81.23195569,142.8505448,98.24339978,86.35885095,98.17464172,94.90107787,64.21382581,94.58023534,81.89715492,98.73043283,90.9237916,"HMDB0003072","M+H","C7H12O6",49.4,-0.767795775,"Quinic acid"]
["9.93_344.2791m/z",344.2790868,9.9272,"pos",322.8090489,247.1446353,193.5135663,250.9637734,290.287297,241.0844899,184.6818544,239.3814283,151.4053457,123.5404957,270.8597269,266.3233649,197.511132,125.6843058,251.6651125,272.0484738,105.0388432,123.4052674,154.7448668,126.2754877,134.7160531,97.0972447,118.3919304,143.7936566,230.7148539,227.8269574,221.2471414,221.799621,240.0796612,229.8623705,213.0631267,216.240194,"HMDB0031047","M+NH4","C19H34O4",49.4,-1.37411038,"Avocadyne 2-acetate"]
["1.52_290.9808m/z",290.9807989,1.52095,"neg",14.26616839,8.676179269,10.76286632,12.93597477,7.24426434,10.23859685,13.87175206,17.77748025,17.95697447,14.52726741,12.04328537,22.03740354,14.12714658,16.39821377,12.33762724,16.86063194,14.65003663,24.26467833,23.63774855,18.55171634,18.9576676,11.72485178,17.97899941,25.82318523,15.71070902,14.83767269,16.07130563,13.17839595,16.96843845,13.62795073,13.10208676,13.91484868,"HMDB0032822","M+FA-H","C8H6O7S",49.4,-3.364211117,"5-Sulfo-1,3-benzenedicarboxylic acid"]
["1.50_198.0971m/z",198.0971046,1.4978,"pos",20.06750862,19.7319128,34.50407895,21.12130307,24.21533923,22.38492797,34.86596933,23.72250956,40.72117279,37.01882835,35.73326755,31.36628437,37.14927234,35.9801733,33.82260168,32.70893398,34.39763321,41.3554827,34.33762997,37.59814166,49.49907375,34.93800155,44.67941635,37.48165079,34.68519694,33.5145149,30.74028357,34.9031977,33.24979578,35.19388976,34.73415125,34.74270087,"HMDB0000143","M+NH4","C6H12O6",49.2,-0.605717662,"D-Galactose"]
["1.43_219.1339m/z",219.1339183,1.433266667,"pos",13.72364639,21.91162071,14.40584406,11.62696662,10.1112988,22.55454834,14.94206922,11.46799204,20.0800696,4.632833764,8.571439935,8.281648629,6.496027035,4.562616793,7.927097668,7.687713223,4.577251953,2.991932482,3.18359416,2.811085208,8.710534177,4.408786269,2.953868787,3.4308368,8.72082165,8.935031549,8.290972185,10.06781981,8.739657495,10.15151882,8.68362551,9.642863367,"HMDB0029042","M+H","C9H18N2O4",49.1,-0.069475991,"Serinyl-Isoleucine"]
["3.86_563.1753m/z",563.1752859,3.857016667,"pos",28.65244096,27.64925684,45.99428854,41.81456913,35.25173201,26.0007237,47.75152735,43.30592428,28.32078358,22.08167753,35.5323377,31.87730734,40.77437358,18.74751497,37.15242677,31.12044215,33.81407514,48.79285034,26.9666105,37.5547543,31.78484246,28.20317926,46.77725969,27.3228664,32.46036802,32.75926164,27.77159367,29.78141896,32.78744517,30.41693312,30.00585528,28.01031713,"HMDB0035352","M+Na","C25H32O13",49.1,3.284286002,"Oleuroside"]
["5.86_612.3146m/z",612.3145945,5.857566667,"neg",0,1.763366726,3.589592845,0,1.702812419,0.440505705,3.63289081,0,8.49456797,0.960790934,2.140590944,3.130744355,5.044854602,1.239640143,2.23404226,2.893075068,14.44278783,5.797460724,1.653017542,0,15.86023013,14.15779903,3.81648843,1.000826697,8.749531714,6.071580951,4.825155728,5.794458019,7.421079816,5.942017224,6.471822121,2.494516893,"LMGP03010022","M+FA-H","C26H50NO10P",49.1,-1.483913627,"PS(10:0/10:0)"]
["3.27_394.1973m/z",394.1973246,3.265183333,"pos",5.076537013,12.27107475,6.63476709,4.547323398,4.663756871,10.40538459,7.295753811,4.238917571,9.020099969,2.477386628,3.025396365,3.533384273,2.964721557,2.579511029,3.488087796,3.01426456,0.842731269,0.935257331,1.073668712,0.85586052,3.348663522,0.996601431,1.072854625,1.483971542,3.111126262,3.111058322,3.169675747,3.176108445,3.877307097,3.40909789,3.149291797,3.4144289,"HMDB0038971","M+NH4","C19H24N2O6",49,0.16634435,"Diacetylfusarochromanone"]
["0.91_176.0502n",177.0575212,0.905616667,"pos",16.52119365,28.77166278,74.79608582,53.25779875,27.25877833,28.90316358,72.72753552,54.85263499,14.56544255,7.910842406,4.621633621,19.68061643,25.92817567,8.333397414,4.58566842,21.01673195,48.57967173,19.09403754,14.77980254,11.52661899,26.86732609,46.73574007,17.0819212,12.35487862,27.46051541,26.6396075,25.26504784,29.61975427,29.23505088,29.35177101,26.57375674,29.79825087,"HMDB0040003","M+H, M+NH4","C7H12O3S",48.9,-2.672306159,"Methylthio 2-(propanoyloxy)propanoate"]
["8.33_523.2655m/z",523.2655123,8.327116667,"pos",1.592654305,4.652730564,2.092717276,3.473837462,3.722337573,6.271433627,0.71734404,4.087513324,0.625963368,5.719674079,1.735663323,4.096587065,5.726612624,5.536169997,2.631772111,4.435919983,9.745052042,2.290414318,5.806987893,3.162376491,7.538978289,8.080093753,3.73518717,5.973497356,2.650370084,1.851709962,4.394124056,3.395057159,4.614845348,2.54866211,2.639132735,3.445501887,"HMDB0038539","M+K","C26H44O8",48.8,-2.610240127,"Goshonoside F1"]
["1.69_502.2542m/z",502.2541713,1.68945,"pos",28.24132257,3.281499119,4.381959186,21.26279915,10.77784292,5.802414792,5.771726989,21.99232266,4.165883809,15.56435724,20.55520126,22.84044036,8.701263443,13.85821261,23.89017033,26.37578032,77.24614203,60.40411983,70.22953018,47.85989353,2.666726479,70.60055434,54.08966031,61.35966734,32.18274065,30.14441146,24.24822104,32.5245632,33.16705724,40.192862,39.36089091,33.32178823,"LMGP03050017","M+H-H2O","C24H42NO9P",48.8,-4.350396595,"PS(18:3(6Z,9Z,12Z)/0:0)"]
["9.42_564.3297m/z",564.3297411,9.417383333,"neg",7381.516832,8448.57892,5841.919168,6486.920884,5916.738904,8649.568801,5884.476113,6563.305489,11942.05472,7471.116471,6403.012317,7290.23835,7544.410379,7421.174337,6632.53842,7535.76992,12345.86109,9855.703862,9338.97306,11069.43602,12965.64993,12536.83062,9933.352774,9532.491647,8000.019035,7937.887175,7813.243988,7802.12784,8144.785422,7719.025299,7776.515682,7901.146587,"HMDB0010386","M+FA-H","C26H50NO7P",48.7,-1.831810256,"LysoPC(18:2(9Z,12Z))"]
["2.94_534.1398m/z",534.1398477,2.940683333,"pos",3.358054711,8.365026431,10.18504004,6.58717771,7.552400181,10.18232112,14.70889044,7.06703951,9.675190874,5.090034188,9.512278465,7.596161723,7.481995861,8.912514341,8.650112455,8.816478033,9.137523289,4.632135613,4.674796687,2.13137612,10.36947879,8.526400443,4.467274017,3.861289559,6.423525416,6.903924744,7.456966431,7.789577949,7.499705407,6.955133988,6.023479649,4.914990003,"HMDB0030871","2M+NH4","C14H10O5",48.7,0.727163749,"Isogentisin"]
["10.99_496.3389m/z",496.3389311,10.98845,"pos",5.601480728,27.727705,12.79956224,5.048305634,11.59635947,24.89681197,14.14579967,6.570185626,38.4122538,21.39345808,7.918822416,7.18790771,11.53413896,15.77328507,11.10663877,8.10544871,41.63705499,7.570075326,5.164591432,9.52464202,20.38694822,42.14861447,6.633336215,4.321457383,14.45681865,17.46390107,17.1742719,14.13781065,17.96706198,19.72682597,15.81466799,16.26838985,"HMDB0001937","2M+NH4","C13H21NO3",48.6,1.711311454,"Salbutamol"]
["11.58_596.3916m/z",596.391581,11.57726667,"neg",854.2719021,1794.399526,1566.230614,1018.238023,1183.709974,1741.433437,1569.507226,1042.539273,1443.952753,1748.669857,1451.55438,1062.728832,1888.695046,1730.635699,1469.58711,1070.563943,2729.434664,1916.065988,1847.843097,1897.298031,2869.977664,2720.901154,1977.453487,1885.236926,1499.117817,1529.557321,1521.11579,1556.537009,1574.648288,1496.181422,1562.897946,1583.1207,"HMDB0010390","M+FA-H","C28H58NO7P",48.6,-3.104312893,"LysoPC(20:0)"]
["6.31_945.4700m/z",945.4699846,6.310866667,"neg",53.72820115,110.1536712,122.2610599,60.84272541,101.6789411,112.3738155,136.7258546,68.86438623,91.96358526,6.386306801,32.86600123,21.16738926,68.38331306,10.53485428,27.56438015,20.43145536,41.31065138,19.37368198,18.14247468,20.2678259,27.90364373,40.15504277,14.75780181,16.20275852,31.5106484,30.35954947,25.90865902,32.55380998,25.45162872,28.51059291,28.52962501,22.00248103,"HMDB0033799","M+FA-H","C45H72O18",48.6,-0.092951631,"26-Desglucoavenacoside A"]
["1.16_491.1398m/z",491.1398338,1.162133333,"neg",6.253974317,4.22812858,3.596486905,6.179972302,2.870278864,3.965987819,4.846395073,6.107125064,13.30974789,3.424068818,3.632357958,8.389855489,7.409526257,3.084968176,4.944305546,7.454348943,5.686780328,8.745107914,6.379866029,7.166961844,6.932988707,3.716733673,9.660581317,5.690862063,5.299009602,5.518901955,6.080619471,4.720543371,4.252999796,5.979718949,5.116285158,5.908247887,"HMDB0035007","M+FA-H","C19H26O12",48.6,-1.782769834,"Lucuminic acid"]
["6.79_367.2093m/z",367.2093473,6.794516667,"pos",8.630223345,14.5358527,10.54009427,13.72064028,17.70669467,13.17021798,6.948877803,15.65258842,11.99437881,11.92791502,16.76817425,17.66638189,5.917484447,11.91302277,12.493806,19.02073433,10.21913677,1.519381942,5.572184199,3.984349999,5.81903401,7.87744362,4.243087768,6.644246462,9.117292316,6.291576155,10.3248789,9.753002054,12.4478891,13.86061723,12.32568496,13.17057022,"HMDB0036213","2M+Na","C9H16O3",48.6,0.690962253,"cis-3-Hexenyl lactate"]
["8.79_382.2953m/z",382.2953301,8.7896,"pos",7.745536591,14.63404733,20.83526859,17.43917955,42.06874683,18.4101514,20.5137901,30.15624647,9.876424698,8.425953355,9.55368961,20.62298676,8.798812377,6.608782349,9.353806517,21.35027269,30.17385722,33.76499557,10.29214822,17.36664278,48.75671169,31.22371066,32.50457518,12.88594543,18.60439285,20.6010584,20.15316661,25.95604572,36.29840788,36.05707407,30.64684448,33.09799101,"HMDB0036803","M+NH4","C22H36O4",48.6,0.397789455,"6-O-Acetylaustroinulin"]
["1.31_309.0288m/z",309.0288474,1.307283333,"pos",4.937774705,5.442731296,6.774090005,4.807921437,5.567347834,4.570552812,8.163074774,4.044501404,5.335683205,4.321929305,5.642515597,4.479728602,3.960063411,5.070535954,5.023768321,5.396185759,10.34341479,8.175861422,6.603514153,7.189959592,8.567213764,7.637062364,8.760377586,6.601213503,7.58011,7.370086374,6.459737808,6.843893211,9.201580557,6.843277878,7.747732437,5.693007137,"HMDB0060394","M+H-H2O","C9H12FN2O8P",48.6,1.857042198,"5-Fluorodeoxyuridine monophosphate"]
["8.54_402.2503m/z",402.2503481,8.536933333,"pos",7.636603991,4.769103443,7.188304606,7.059524753,4.771451832,2.368155455,5.755891554,6.909950792,9.870432982,2.741369847,2.895892847,4.618854935,2.282683903,2.589592543,2.232437603,4.559104208,3.205953371,3.918240298,2.839896086,5.109376019,2.127589648,2.692990484,4.536524675,4.967776468,6.522808857,5.77672148,5.527742387,5.745593426,7.636734009,7.587469411,4.879082559,4.221756248,"HMDB0012643","M+NH4","C20H32O7",48.5,4.474679438,"20-Trihydroxy-leukotriene-B4"]
["2.62_153.0544m/z",153.0543677,2.620416667,"pos",1.042747141,0,3.221469391,1.770670901,1.459569201,1.113886448,4.151958718,2.412571809,3.077602864,3.791710968,3.253269021,2.516875387,3.877952309,3.390623845,3.830157191,2.59289736,3.706888353,2.916705029,4.683734436,2.830894257,7.552385611,3.987085791,4.917194487,6.156483328,3.859502932,2.638257169,2.06086798,2.366666775,2.287717671,3.136402457,3.435575206,2.526943501,"HMDB0038760","M+H-H2O","C8H10O4",48.5,-1.486818021,"Herierin III"]
["11.55_269.1381m/z",269.1381007,11.55173333,"pos",8.28569393,6.694128067,7.988112505,7.389420872,6.806481196,6.368509128,8.88073999,6.916293155,8.277825778,8.977566049,6.370939153,11.31448026,7.516437713,7.94209015,5.812188365,7.172777056,8.688633186,9.795752599,8.423023831,11.4711312,8.996698285,8.524471436,9.576746284,10.35642319,7.343786218,8.739286838,8.629351815,7.712292728,8.067415909,8.390096844,8.164908006,9.191424749,"HMDB0061643","M+H","C14H20O5",48.5,-0.930529995,"3-carboxy-4-methyl-5-pentyl-2-furanpropanoic acid"]
["2.82_512.2258m/z",512.2257933,2.821716667,"neg",20.82946439,19.29875693,45.17077325,26.7102626,86.41147818,20.87343992,48.41225864,26.96072227,35.32298261,135.1087296,99.66700801,119.3195483,54.91115724,138.2505918,95.55000753,115.3802003,155.7981949,85.67646892,121.9870529,81.45815764,111.6381864,153.8613864,85.88704097,121.7556271,106.8559759,109.4829326,104.8373406,103.2833088,106.9308104,103.1525732,100.1757791,107.0586305,"LMGP03050032","M+FA-H","C20H38NO9P",48.5,-1.77224109,"PS(14:1(9Z)/0:0)"]
["9.81_480.3076m/z",480.3076227,9.810033333,"neg",46.46352456,45.13203926,16.5064473,14.33341689,26.05025431,47.39690142,13.72900149,15.45555052,66.02407998,28.57023126,28.18967005,31.68405869,20.49737923,25.12414421,31.8293947,31.61020311,79.92510705,33.44385856,31.69507118,37.49380166,109.6130819,99.33358579,35.6235834,30.17958132,41.40931218,36.9091906,42.20165899,39.60720979,41.18934684,38.30820482,44.76885676,38.90381241,"HMDB0010381","M-H","C23H48NO7P",48.3,-4.031397412,"LysoPC(15:0)"]
["9.05_538.3134m/z",538.3133926,9.047733333,"neg",6.764940958,12.42946418,10.49781669,11.88515426,13.06340162,14.37344412,9.167380511,10.56861948,6.601973587,14.30598589,5.320341375,13.79645626,11.12850616,17.41655271,5.65326132,15.75624663,18.03559436,16.18595191,19.80381258,20.7289848,22.56113136,13.9565873,12.00021429,18.46154113,9.308866418,15.00771696,9.047220823,8.566063459,9.969277316,6.346266404,7.907161632,6.706286957,"HMDB0010383","M+FA-H","C24H48NO7P",48.3,-3.344239575,"LysoPC(16:1(9Z))"]
["9.29_769.3583m/z",769.3582615,9.29085,"pos",10.00118084,38.57151506,41.56543848,36.76729811,25.74970176,31.84320778,39.18532157,35.26037882,33.14428332,26.41548205,19.88491742,18.32296082,23.41073415,24.70958594,17.34714506,13.54720616,37.39311713,21.28104109,30.80434963,27.31943457,41.94609066,35.75791559,17.43687127,36.1007133,17.04350159,18.92106894,19.6019339,18.99147137,19.22662762,23.74411827,20.05450873,21.30808692,"HMDB0013958","2M+K","C23H27NO3",48.3,-4.222354814,"5-O-Desmethyldonepezil"]
["2.27_338.0997n",337.092414,2.270233333,"neg",634.2331965,356.1183528,932.6636668,761.5285486,476.4362902,378.6344594,970.8736279,793.6794007,1129.109071,563.1770262,904.0781307,1190.806023,635.7903372,580.7557827,938.4078362,1213.698084,1253.529402,1213.845146,1018.461162,971.9050949,893.4846896,1264.051289,1258.347165,987.989991,854.5048523,856.0497149,840.6017123,842.3993219,881.0630077,896.5671976,894.0226152,896.7816188,"HMDB0029681","M-H, 2M-H","C16H18O8",48.3,-1.410979204,"3-O-p-Coumaroylquinic acid"]
["1.50_189.0771m/z",189.0770536,1.499283333,"neg",7.880202809,7.941087296,22.06217513,14.93985754,10.35845526,7.107611895,22.68717619,16.13072091,8.753578977,8.263090559,7.976409741,15.07953388,20.9407064,10.39812711,7.949586159,14.59029276,12.44317048,11.29195802,13.02478437,8.025998701,16.35833593,13.417806,11.66648987,12.52804411,9.752868126,10.80992759,9.49566579,9.92659246,10.23163454,10.95742277,10.44535046,12.46014024,"HMDB0036594","M+FA-H","C7H12O3",48.3,1.433166188,"Botryodiplodin"]
["1.55_183.0649m/z",183.064938,1.551033333,"pos",7.932602481,4.230485522,3.354182473,12.64761967,4.121374851,5.516509129,6.460576745,13.15438732,14.5432506,13.92956276,16.62876544,19.39070633,13.81006437,12.0253914,14.58845696,20.2085983,22.0865291,37.47917011,11.57174207,30.50906549,8.178072994,26.93282229,38.84372626,14.57507329,16.88117781,16.69608677,13.04683972,18.41713671,15.50039323,17.02476278,15.47910203,16.55592553,"HMDB0000118","M+H","C9H10O4",48.2,-1.357918545,"Homovanillic acid"]
["3.12_464.2256n",482.2588414,3.1186,"pos",28.82705029,22.70948057,38.48208903,36.06855686,62.19151631,19.57317512,36.50908833,36.15494532,46.80257136,101.9801962,106.9493744,245.2702192,65.90491025,103.3301398,108.4282924,261.1100824,185.2765718,197.4266196,158.432585,159.3336094,93.31513159,163.4231702,187.1437194,141.8889579,120.5267439,121.6648777,108.3899357,110.8673197,122.0818313,115.8450428,113.173631,110.9114102,"HMDB0031367","M+H-H2O, M+H, M+NH4","C21H36O11",48.2,-0.358554128,"Linalool oxide D 3-[apiosyl-(1->6)-glucoside]"]
["8.93_562.3137m/z",562.3136994,8.9309,"neg",1668.323638,1582.386004,1213.838801,1673.756423,1210.109363,1622.048367,1179.432348,1700.584374,1752.862655,2420.842932,1375.131467,1346.368438,1759.464717,2394.257426,1444.584159,1332.355498,2843.413267,2457.3676,3060.53475,3068.71532,2412.710011,2809.218247,2519.054572,2883.435358,1706.609141,1683.458566,1641.392049,1588.268464,1670.097568,1575.383994,1633.911554,1626.74008,"HMDB0010388","M+FA-H","C26H48NO7P",48.1,-2.596124161,"LysoPC(18:3(9Z,12Z,15Z))"]
["12.00_610.4066m/z",610.4066329,11.99608333,"neg",1.188536578,9.970054898,10.45352644,4.828051553,6.691640352,8.768715466,13.38092362,5.83723777,11.53279767,8.16704838,6.776387998,2.86153609,8.020576822,9.126570568,4.787293818,4.096434398,17.6317884,9.066221001,6.476329873,5.787472119,16.8531709,18.69019135,6.511868887,6.778825647,5.556183367,7.214752907,6.280584123,7.681601866,7.177831789,8.665158279,7.017416008,9.176845347,"HMDB0011497","M+FA-H","C29H60NO7P",48.1,-4.085339591,"LysoPE(0:0/24:0)"]
["5.24_171.1029m/z",171.1029325,5.239916667,"neg",68.631569,32.44637622,27.22210882,43.88566359,55.11072856,35.38054722,28.22197697,45.04060007,41.33262596,43.92224617,42.1119201,37.01295235,36.75574996,43.1915298,45.6154741,39.63709802,15.00960327,19.58151681,27.1419947,25.25914052,17.06662259,10.80965474,20.40468397,23.43250598,37.15691774,38.71365254,39.31358544,38.86121121,38.73574071,40.95199971,40.94526858,44.35234208,"LMFA01050232","M-H","C9H16O3",48.1,1.537016204,"9-hydroxy-5Z-nonenoic acid"]
["12.05_722.4588m/z",722.4588239,12.05025,"neg",9.961957664,26.6034443,26.17442198,14.02320335,34.788292,27.8491649,29.30527862,12.15902339,11.9453104,32.85884281,24.75269916,14.19408593,22.43016754,29.17420698,24.80551616,15.69531081,22.31198533,16.1594703,28.57724332,20.13896914,39.63131573,22.97909419,15.45276951,27.09309709,20.19986804,24.10589505,19.73008431,23.57484815,20.6327438,21.31753657,24.25541245,21.14748555,"LMGP03030002","M+FA-H","C35H68NO9P",48.1,-3.761615634,"PS(P-16:0/13:0)"]
["0.88_173.0457m/z",173.0457304,0.881316667,"neg",107.806751,87.54384367,176.9823596,116.196818,83.13163122,87.2324479,173.271591,116.7668182,129.3346686,119.2009636,105.0014005,100.162293,119.9231105,120.5278524,106.7578963,99.43962189,95.29583697,154.6314024,166.0462463,134.6510477,173.7950508,99.33643036,151.210251,149.305881,105.0213981,104.9242786,112.205808,113.2069015,104.0057192,107.5344298,120.1849358,113.1578364,"HMDB0003072","M-H2O-H","C7H12O6",48,0.955232207,"Quinic acid"]
["9.42_504.3084m/z",504.3084381,9.417383333,"neg",208.0768052,217.7680057,144.6387996,157.2615809,159.6993082,281.9600217,164.3087331,170.0159697,329.3772714,186.5077075,166.8519276,185.553916,227.6871007,209.0563299,180.9668573,191.4833181,346.8269392,259.0868342,235.187927,301.2956345,371.4094857,338.9330984,242.1019719,239.8427346,230.3862911,202.7721151,197.1896405,192.6540118,225.2628932,231.1066119,203.9863806,200.2751284,"LMGP01050127","M-H","C25H48NO7P",48,-2.226197393,"PC(17:2(9Z,12Z)/0:0)"]
["14.54_802.5579m/z",802.5579368,14.54145,"neg",1629.615586,771.4631375,366.595304,245.7320206,415.4291174,680.0186621,349.1123356,236.2602267,1476.869172,433.216692,625.1534484,631.3942328,460.1517369,428.7464578,609.8621637,573.0581023,955.576906,1215.783757,725.1809257,1412.732459,536.671884,1021.187652,1216.324766,675.621318,675.8617388,736.4248516,715.6829547,707.0233237,705.6725171,661.5901249,789.4635969,750.8493839,"HMDB0008909","M+FA-H","C42H80NO8P",47.9,-3.196061194,"PE(15:0/22:2(13Z,16Z))"]
["6.08_929.4750m/z",929.4749537,6.08455,"neg",37.76099278,11.48142232,21.86664131,37.54095149,16.46340521,13.51335891,18.04382627,41.05115821,19.63656589,16.43883463,7.709832558,26.6425421,18.32345074,13.40885925,7.062726258,23.37870691,4.953152282,10.88062292,16.13542767,11.8022059,2.987813407,8.043653656,9.746572324,17.20673598,9.616948803,9.325215105,8.836664771,12.36337933,11.48832664,12.70112415,6.548435052,12.0069174,"HMDB0029311","M+FA-H","C45H72O17",47.9,-0.226130859,"Deltonin"]
["8.90_292.2039n",291.1965999,8.899233333,"neg",3635.929392,4191.376812,4358.937622,4665.5425,2330.04469,4352.137539,4340.806802,4591.384212,4191.465642,5131.982128,3768.74514,4174.488402,4661.067743,5150.023866,4006.57013,4241.513006,4472.954539,4008.752411,3401.432795,3624.936518,5743.915232,4398.673256,3963.101605,3439.554132,3821.047767,3808.775149,3734.183442,3830.101981,3934.367622,3866.285877,3899.445748,3873.849691,"LMFA02000028","M-H, 2M-H","C18H28O3",47.9,0.108133793,"13-keto-9Z,11E,15Z-octadecatrienoic acid"]
["8.84_327.2171m/z",327.2171406,8.842366667,"pos",32.90349977,20.39144788,20.3630809,23.83055443,29.6799724,19.72828781,18.68547836,22.83977599,20.66142499,19.03872194,28.47108044,25.36446044,19.7136728,18.42569428,26.26271805,27.49810664,13.62186313,14.63978596,14.30055609,12.19112051,19.96681757,24.25642701,25.73567844,20.67559519,22.27717044,21.3787874,23.30017188,29.06302021,26.72582509,36.95599251,30.92022511,32.55597,"LMFA02000031","M+H","C18H30O5",47.9,1.655631722,"2R-HpOTrE"]
["7.32_242.2115m/z",242.2114863,7.319066667,"pos",5.387131744,2.74934651,2.252830652,3.31189647,1.660083287,3.681059067,3.942870003,4.885271919,2.082910187,3.148345109,2.176537524,3.893033213,2.662988588,3.498072548,2.476695836,3.572111602,2.650245769,2.053578468,2.99072686,4.369813353,4.376729836,2.708552263,2.274028426,3.572597279,3.330003321,3.177621053,3.621401818,4.636994822,4.46985386,5.542009359,5.047723781,5.187493067,"LMSP01080007","M+H","C14H27NO2",47.9,0.127559645,"(4E,6E,d14:2) sphingosine"]
["0.64_131.0463m/z",131.0463048,0.637166667,"neg",722.6167316,637.4456902,739.9835072,754.6613159,909.6379234,664.6627708,671.8351744,719.6803179,512.7247432,645.1876075,800.5228699,592.8958245,823.6528826,681.4596699,815.9131077,639.4627453,865.8054833,1131.287859,944.9007791,969.5269636,826.8674404,860.9285215,1124.308135,823.9344222,798.1155353,765.9267786,757.9618614,763.4339344,827.2627235,871.9500489,806.341746,852.2114236,"HMDB0000168","M-H","C4H8N2O3",47.8,0.674475183,"L-Asparagine"]
["7.12_143.1062m/z",143.1062384,7.115766667,"pos",6.692465755,3.025236902,3.328530567,5.170305404,5.686256806,8.054779978,9.131875017,8.882896256,8.451713877,9.177749152,10.75916064,7.308128744,7.755455032,7.336283912,8.882304316,5.756567471,2.471450266,3.459659241,3.074888516,3.700002646,5.583630022,6.09291879,8.043415384,7.562497709,8.033771529,6.19431998,3.366786262,10.52272432,5.799976975,7.375113397,5.414726809,5.751380882,"HMDB0000486","M+H-H2O","C8H16O3",47.7,-2.609249683,"7-Hydroxyoctanoic acid"]
["13.26_834.5474m/z",834.5474499,13.26101667,"neg",77.98164489,201.1905943,100.8728407,50.01896219,273.2072804,193.7133678,98.72827379,51.57923683,221.0704169,152.3049898,254.798378,160.5787661,193.8518968,154.5285521,272.7739602,157.8370763,201.1535708,98.10292687,148.7450365,157.8181407,288.659194,208.1243367,93.01730597,148.0648349,175.9233963,173.8394784,183.1644602,164.1597439,176.6428001,185.1364007,187.7764835,174.3758185,"HMDB0010163","M+FA-H","C42H80NO10P",47.7,-3.466995801,"PS(18:0/18:1(9Z))"]
["11.97_776.4702m/z",776.4701646,11.97425,"neg",4.109712881,5.640299195,3.739012949,6.320640427,10.48985581,6.946262332,4.618794948,5.836178726,0.73672993,31.07425396,12.21214101,6.11279842,6.142080563,30.96887691,12.60494166,4.710023839,31.5256267,10.16177103,27.42937956,12.85580665,18.50807921,31.1517808,10.56212879,25.91935614,16.78225479,14.90577936,13.29830854,15.32425798,11.64547729,10.46522955,13.05234622,14.64288501,"HMDB0012336","M+FA-H","C38H70NO10P",47.7,-2.423009165,"PS(14:0/18:2(9Z,12Z))"]
["7.38_307.1903m/z",307.1902757,7.3815,"pos",133.0245017,132.5353741,130.1626873,132.6862237,123.0592237,135.2933918,123.0641342,132.5119185,119.6177989,123.9458171,114.9021279,121.9619941,106.9194042,125.5744927,115.6764933,121.1728567,88.33689162,94.5662965,104.5082985,91.4387956,95.28418207,86.07132243,85.54113609,101.2286698,121.1054111,117.6937573,114.9726627,117.7070862,120.806933,124.0739209,118.8034201,115.162249,"HMDB0012799","M+H","C18H26O4",47.7,-0.359392234,"5'-Carboxy-gamma-chromanol"]
["2.76_532.1804m/z",532.1803794,2.756916667,"pos",13.09671742,18.74940068,7.967111454,8.845307608,13.68626149,18.10159338,10.08666459,7.537934755,4.248798926,9.140212002,12.92626561,16.04100207,14.6635735,13.41039643,11.63843617,14.17748851,14.47447874,8.343121389,6.944512917,8.379586766,6.217922514,10.16165265,5.62360749,6.212873927,14.85688404,13.47979672,12.62495334,14.30722579,13.93507489,13.37417483,12.30726702,11.31458107,"HMDB0029361","M+H","C26H29NO11",47.7,-1.803104619,"Alkaloid RC"]
["7.39_223.1344m/z",223.1344444,7.393983333,"neg",10.47034539,3.547233406,8.5040634,6.27998407,10.79500867,11.16626644,12.40843208,10.19725036,3.234373613,18.45356493,14.31433407,77.71111421,19.40985008,17.3586452,11.77392993,62.33644757,74.05541789,118.9487365,51.1298676,69.72742695,59.56392183,73.34105758,113.3594979,41.58411488,28.91652563,27.96538377,29.57150574,29.14863611,33.66659682,44.901579,27.67555467,24.13804679,"HMDB0030987","M-H2O-H","C13H22O4",47.7,1.967032118,"2-Carboxy-4-dodecanolide"]
["8.16_424.1623m/z",424.1623249,8.16305,"pos",72.14910965,54.09550001,49.63422304,64.14986325,41.2188333,47.081606,54.16133332,47.89761525,54.8330366,62.82243265,50.85764266,55.21385008,45.0666973,60.23386507,51.74412657,58.02263722,44.0254239,63.9712359,45.12784591,48.56977171,41.39576753,43.19164697,55.42688886,48.40414827,58.24966356,54.09338636,56.55548867,58.08555706,60.18644986,55.06687986,60.18331744,50.2277456,"HMDB0032803","M+H-H2O","C20H27NO10",47.7,4.79894218,"Mandelonitrile rutinoside"]
["5.96_157.1218m/z",157.1218138,5.956383333,"pos",11.37035146,4.827833645,7.348778984,12.44641851,16.93641862,7.167096217,9.232428221,16.86422523,11.2104202,13.4773666,17.21222514,8.571911718,15.91746357,13.08396431,16.58125611,8.58234151,21.31175964,44.25554972,44.93039027,80.61454738,52.28687141,28.14570608,53.59858786,53.45646916,24.35043589,22.28219353,19.06682867,29.81483283,20.73378662,27.62243124,25.4579883,26.40523261,"LMFA01050028","M+H-H2O","C9H18O3",47.7,-2.827632582,"9-hydroxy pelargonic acid"]
["0.72_260.0300n",259.0227138,0.721983333,"neg",2218.771937,2327.205598,4331.268761,1966.019099,2428.848348,2566.599007,4184.975744,2037.337002,2715.847331,2264.484382,2805.73818,2560.50129,2918.666858,2565.489793,2919.086921,2722.849918,2587.357386,2735.564061,2376.828073,2212.340696,3527.290647,2629.362677,2509.510121,2367.15966,2686.934985,2531.025439,2644.157875,2407.779061,2651.61209,2792.524432,2725.524397,2602.860907,"HMDB0000213","M-H, 2M-H","C6H13O9P",47.6,1.044663928,"Myo-inositol 1-phosphate"]
["6.96_471.2379m/z",471.2379299,6.955316667,"pos",16.11145193,10.80873377,8.649984012,14.88635561,8.236819118,11.97824305,7.83269928,15.13262213,9.678042278,16.01445249,9.800842631,17.32531227,11.21376139,19.64444015,12.53698343,17.56079608,16.6007026,11.7814211,9.893494469,12.34523826,6.393752491,17.37323538,14.813137,12.82402832,14.24690045,14.28937258,12.07025024,12.9156572,13.66304912,17.08576925,15.52298418,12.5187959,"HMDB0015262","M+H-H2O","C27H36O8",47.6,0.409705318,"Prednicarbate"]
["9.28_309.2067m/z",309.2067015,9.281383333,"neg",2352.370712,3378.140476,2262.157483,2602.073382,2644.343747,3542.199007,2276.147064,2610.823103,2507.204372,2910.229928,2384.933044,2931.022209,1926.3219,2876.723341,2463.195192,3005.591798,2414.494202,1849.307721,2074.240161,1862.566949,2007.137762,2433.068174,1897.97873,2118.47707,2337.702673,2277.751164,2254.290205,2371.681445,2326.582694,2399.643683,2381.916364,2430.638441,"LMFA02000020","M-H","C18H30O4",47.6,-1.391135518,"9H-12(13)-EpODE"]
["8.13_508.2666m/z",508.2665748,8.133616667,"neg",175.8113634,405.9377408,216.1729931,171.2687065,398.1787274,420.9237899,212.3342744,183.8024223,238.9107725,250.1424178,454.1662183,404.2777049,355.7148581,249.1159788,468.0563273,408.7338042,280.8880381,209.2624035,333.6210307,196.3350719,376.510061,285.3443694,199.8259173,325.2804897,333.2187005,337.2989292,314.9918387,315.6705625,322.3735203,348.7242657,334.7305428,358.317427,"LMGP02050016","M+FA-H","C22H42NO7P",47.6,-3.275396033,"PE(17:2(9Z,12Z)/0:0)"]
["5.64_255.1238m/z",255.123753,5.6429,"neg",96.72872922,110.7980705,105.5775559,101.5928663,104.2064196,116.1729251,107.0263214,106.8549224,75.48114554,84.01315222,80.17655876,42.26928746,69.72317272,87.35432972,82.44867572,42.09479057,13.04329569,7.805001105,20.88857939,15.93353241,11.55810042,16.18150536,8.641520334,24.03823529,54.48871693,54.52345919,53.66710309,55.54398487,59.67488693,58.1684804,58.75300706,60.75682922,"HMDB0037735","M+FA-H","C12H18O3",47.5,-0.210893824,"Isoamyl 2-furonpropionate"]
["6.44_987.4767m/z",987.4767472,6.439533333,"neg",23.08625291,8.436965884,22.50533573,31.63117836,12.3910431,9.773294581,26.8476239,21.53821334,12.23072499,10.90174825,8.413654236,53.91355297,12.9660527,11.90589649,11.41140907,58.85674406,20.18896714,53.10584971,14.96383785,38.00234973,8.640788011,22.05516864,57.20988221,18.99407922,9.670818471,8.962634803,8.870868789,6.518235551,8.904459328,6.356862122,9.007148082,6.805722622,"HMDB0039487","M-H","C48H76O21",47.5,-3.931052096,"Medicagenic acid 3-O-[b-D-glucosyl-(1->6)-b-D-glucosyl-(1->3)-b-D-glucoside]"]
["8.49_155.1061m/z",155.1060702,8.4861,"pos",8.691789365,10.89975388,7.284872332,9.962248193,9.565904202,9.951642399,7.870088343,10.54529049,9.652108226,6.74143306,10.32559643,9.598654358,10.06034783,7.149148065,10.36034455,9.821381506,8.663084882,7.599271934,7.895525852,9.715817217,8.377999114,7.780705439,11.59280405,8.883794512,8.570334671,8.865597739,8.351798931,10.34498584,11.53954587,9.097565441,9.087711598,8.090877685,"HMDB0040285","M+H","C9H14O2",47.5,-3.802201206,"Anapear"]
["8.47_330.2637m/z",330.2637196,8.4749,"pos",121.3822621,149.7284708,97.01681128,113.9118044,115.0725142,148.8888383,96.27943444,112.3358696,151.7569328,113.3978143,125.7319287,148.1663914,116.1058211,113.9238854,120.3572142,154.8246051,116.2783016,105.8944699,105.2967932,115.5029087,115.0869349,108.9911084,102.1582355,95.61314745,129.5266035,124.1874065,118.1883903,120.6901457,139.2908027,125.0747046,118.7489155,121.8064327,"LMFA02000167","M+NH4","C18H32O4",47.5,-0.529893083,"9,14-DiHODE"]
["0.65_195.0514m/z",195.0514198,0.647816667,"neg",802.1150476,1202.330064,1456.163549,821.2975749,1470.712072,1228.266287,1370.358335,866.2548174,557.0215725,1264.89829,899.270917,521.3817779,1182.514733,1352.159415,950.1170529,581.9083092,710.7297721,824.4344325,931.5127458,873.5743503,829.6650442,688.103311,858.0985714,883.6466435,779.247188,737.2636898,777.574914,793.6041349,807.6512149,865.3314887,790.2278635,849.3578354,"HMDB0000283","M+FA-H","C5H10O5",47.4,2.622694263,"D-Ribose"]
["9.68_431.2431m/z",431.243141,9.682366667,"neg",1.842838144,10.34032746,3.483334851,8.649077411,2.340991284,11.61266193,3.200170096,11.53224884,1.6674105,5.711327177,0,0,1.659063737,5.3278713,0,0,1.207431033,2.054533503,3.481145706,7.866107959,2.423417481,0.942000196,2.716936618,3.257463889,4.271034751,5.78679021,5.880200779,6.038229463,5.202326249,4.813859238,6.188350595,9.127126812,"HMDB0000385","M+FA-H","C24H34O4",47.4,-1.997220578,"12a-Hydroxy-3-oxocholadienic acid"]
["1.30_164.0720m/z",164.0719557,1.30445,"neg",347.11387,335.1270184,573.2171279,414.3979661,499.8912494,335.609239,577.4767121,428.3149065,451.5601975,416.6433433,461.8728133,387.6270703,510.9147824,414.7549542,483.6689254,394.71964,663.1766973,690.4897861,545.89974,694.7311296,569.0314134,674.2264002,700.6204843,555.2732334,464.3384142,469.8734651,459.1323644,444.9684588,466.0637639,479.7409862,476.4067844,485.1958947,"HMDB0002832","M-H2O-H","C9H13NO3",47.4,1.385046372,"Methylnoradrenaline"]
["9.10_562.3133m/z",562.3132937,9.1014,"neg",299.5123648,275.5524533,209.8711167,217.5676518,126.0574816,267.7562914,219.9030535,225.8531915,373.0189137,320.3430364,186.4441843,182.6522102,216.5854701,336.1549517,194.9132356,198.1569833,421.9849372,279.8992469,445.9715581,302.2017696,516.1257128,427.9954889,292.5662693,458.4129712,252.6827594,244.3224527,244.6404902,262.576537,283.9527213,284.3336899,301.8430615,302.0060423,"HMDB0010387","M+FA-H","C26H48NO7P",47.4,-3.380313613,"LysoPC(18:3(6Z,9Z,12Z))"]
["7.73_277.1441m/z",277.1440705,7.7253,"neg",17.45383726,6.409696688,12.82438613,3.918231344,1.423005891,7.505377236,12.40831286,7.451966508,2.357224236,4.18182591,1.971319632,4.729427305,1.622182491,1.952487085,2.201497889,3.058516837,6.230376957,8.326236928,11.02537785,13.44119742,8.70845941,3.567363454,9.182957869,9.473024459,7.352791158,6.346023775,7.311809078,6.939770996,5.81858294,6.017137249,8.815344115,6.71463363,"HMDB0030761","M+FA-H","C15H20O2",47.4,-1.991202273,"Pterosin O"]
["0.64_214.0488m/z",214.0487882,0.637166667,"neg",2153.305374,1310.856201,682.7399405,1099.261146,1010.753562,1415.079468,716.4979246,1302.34379,1151.415933,1351.576289,1683.371508,1430.178695,1099.737989,1475.241324,1557.123741,1482.118273,1011.172551,1518.428078,1126.014639,1586.545185,680.0024206,1012.758212,1474.315449,956.3703422,1187.20103,1221.48339,1183.365241,1253.693348,1316.195042,1384.266165,1199.982646,1339.640561,"HMDB0059660","M-H","C5H14NO6P",47.4,0.887484154,"sn-glycero-3-Phosphoethanolamine"]
["0.97_190.0708m/z",190.0707825,0.972116667,"pos",12.03993981,11.03273708,15.86350201,10.08896779,6.72551445,10.28993546,16.0977181,8.90212862,11.51820151,20.14204839,14.46890533,10.80734822,9.391542969,18.49071384,13.90093382,11.49031704,15.50884519,10.07883827,14.1809704,10.22720755,19.10151349,15.17225358,10.00450498,13.10096395,15.74729179,16.30838227,14.28116503,16.09784393,18.41631738,15.63723518,17.63682688,16.39151212,"HMDB0000590","M+H","C7H11NO5",47.3,-1.144276919,"Glutarylglycine"]
["10.40_693.3119m/z",693.3118949,10.40416667,"neg",30.02512062,34.46998852,4.646873791,11.47931042,16.96155731,37.69181829,5.470907287,13.23763412,34.71789136,5.719143997,31.72486037,17.18476222,15.1751548,4.598586715,37.10317233,15.72046339,0,4.211996673,1.511349003,4.495266512,6.159962717,0.308093599,1.65425898,0.294218933,16.45367176,18.62049696,19.73578746,19.76918558,18.42763714,13.47187896,12.51874821,14.14840815,"HMDB0034195","M-H2O-H","C35H52O15",47.3,-1.242366641,"Convalloside"]
["7.66_323.1858m/z",323.1857656,7.660466667,"neg",304.619121,355.8878283,414.0361491,377.757016,389.863612,375.3355809,429.6793363,377.0928054,259.2683028,493.5390273,414.3712398,320.1228149,296.5047521,501.1551142,432.5054325,327.079909,304.5592835,289.3603604,337.8818844,263.3087482,285.2647971,319.4608465,297.0547227,326.5095813,348.7114874,347.0117659,352.0633067,352.4530668,364.0186794,368.2160271,367.547391,358.7603216,"LMFA01050258","M+FA-H","C17H26O3",47.3,-2.271529983,"7-hydroxy-10E,16-heptadecadien-8-ynoic acid"]
["2.66_500.2398m/z",500.2397919,2.662883333,"pos",48.07532222,15.06748179,10.5340817,19.95598831,12.26251462,12.59626301,10.34894777,20.21893023,9.575736827,30.60765179,15.76081973,27.32268174,13.93712246,33.32348463,19.64216084,26.455043,18.23042385,86.84428292,29.1920823,41.92310782,12.24219926,19.92174989,86.76784427,24.11361518,35.40068367,31.71098673,28.6938032,31.99257281,37.59155194,36.5079781,38.11647804,31.87439425,"LMGP03050018","M+H-H2O","C24H40NO9P",47.3,-1.910723506,"PS(18:4(6Z,9Z,12Z,15Z)/0:0)"]
["2.31_131.0715m/z",131.0714769,2.31375,"neg",15.12902997,15.67937225,18.05808511,16.84766746,10.80104547,15.49724438,17.49416311,18.74468246,5.465262977,5.879866248,3.683121322,1.247636161,6.343956124,6.502446649,4.248762158,1.094760599,0,0,0.555423963,0,0.816042593,0,0,0.439720654,3.653622798,3.813705192,3.914704796,4.245228415,4.004516636,4.042095695,4.756639868,4.226737088,"HMDB0000409","M-H","C6H12O3",47.2,0.825690951,"(5R)-5-Hydroxyhexanoic acid"]
["0.66_138.0545m/z",138.0544574,0.65595,"pos",1293.08883,1260.096718,1007.123024,749.2221732,1051.037437,1290.041884,942.8187058,689.1670834,1835.770722,1388.498286,1760.691814,1706.297379,1732.696911,1370.067221,1855.650168,1677.331818,1744.990339,2953.159148,3865.461824,2332.199591,2654.746997,1715.236431,2883.223456,3734.441172,1835.116233,1703.932315,1692.318162,1687.303219,1900.964901,2001.261537,1899.172193,1958.478918,"HMDB0001538","M+H","C7H7NO2",47.2,-3.629900427,"3-Pyridylacetic acid"]
["0.96_132.1015m/z",132.1015399,0.96205,"pos",387.0925508,447.3695418,701.7532597,473.1919414,544.5220611,452.4754784,672.7946293,479.2939614,788.9234338,418.5783225,537.9795373,504.0188648,635.7902526,433.535352,528.4496097,474.2267551,760.1363374,813.042444,523.2715226,710.0629209,627.9569264,760.0918058,823.7625833,531.9722492,673.063536,633.2390471,630.4853249,682.3650128,710.261628,713.4237227,688.2935849,680.5471727,"HMDB0001901","M+H","C6H13NO2",47.2,-2.786061671,"Aminocaproic acid"]
["1.60_362.1509m/z",362.1509036,1.604683333,"pos",6.469347932,9.403215132,8.64783358,6.08993375,7.59901298,9.52344262,8.877756408,7.147217066,10.58219842,4.831857764,10.44688622,13.07233582,7.742081035,4.165503348,10.44249984,10.09149499,9.757792394,6.189118962,6.419381518,4.689961939,9.968614277,8.950657763,7.524426029,7.520917474,9.633873798,9.340538447,5.387827781,11.02728027,9.665728552,11.40551655,8.049488911,9.803087949,"HMDB0001929","M+H","C18H20FN3O4",47.2,-0.435366249,"Levofloxacin"]
["3.34_613.1726m/z",613.1726485,3.33885,"neg",10.99151905,9.619286068,8.8820187,11.16935398,10.81688864,10.8002356,10.18388884,10.87318365,4.251235787,10.65746885,7.072581721,11.60619059,7.703792622,11.09204055,8.921369704,11.748263,10.03671788,8.381639858,12.22570065,6.648648808,5.833821998,10.22501722,4.874753703,9.220439795,10.08744244,8.372387258,9.018628728,8.022832603,9.328311956,9.66703197,7.191870342,7.264805739,"HMDB0030135","M+FA-H","C33H28O9",47.2,1.959126921,"Asticolorin C"]
["8.16_290.1879n",291.1952498,8.16305,"pos",2564.964497,2173.234771,1901.713146,2545.44227,1933.625136,1946.309217,1894.265033,2375.621821,2159.507484,2681.747628,2007.463194,2689.767744,1797.132189,2648.800769,2042.411528,2679.096454,1639.626833,2123.446707,1797.431612,1799.551186,1398.00424,1640.170754,2075.503139,1781.097317,2173.832137,2104.416667,2070.730848,2232.602304,2284.492565,2250.179999,2227.690846,2071.731089,"HMDB0031098","M+H-H2O, M+H","C18H26O3",47.2,-1.039085125,"(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid"]
["1.11_231.1338m/z",231.1337749,1.113183333,"pos",22.77755233,26.84103527,46.74072485,42.47801408,47.23916677,28.84922945,49.42130091,40.60199818,10.31002009,13.23006831,10.74502157,9.476104645,20.99041625,13.83908058,10.41151355,8.916280867,14.30467245,16.0786327,11.18568001,3.477980364,29.21587844,16.19211382,16.21143709,10.46288281,18.79757951,17.48010417,18.63406637,18.45884424,18.29152905,16.85285909,17.34358374,15.48896278,"HMDB0034208","2M+H","C5H9NO2",47.2,-0.689147355,"Pterolactam"]
["4.12_229.1084m/z",229.1083995,4.119483333,"neg",5.18618231,6.390844995,6.168197048,5.361157162,5.153671118,6.436476861,5.853437385,6.177004397,4.199117569,3.912583536,2.513404311,0.702364988,3.311338738,4.780819655,3.456692993,1.295129879,0,0,0.292484815,0,0.594784685,0,0,0.386865741,2.940910243,2.107588771,2.073340995,2.387381265,2.975188637,4.084147653,2.46158194,3.313905112,"HMDB0036117","M+FA-H","C10H16O3",47.2,1.37036052,"(1'R)-Nepetalic acid"]
["3.25_520.1934n",519.1861308,3.253016667,"neg",44.57184138,53.20716794,124.1988026,90.75682804,80.4953579,55.78446644,127.2128289,85.40212943,35.35092764,26.91022262,89.0684521,62.6669289,94.36796623,27.8784544,92.15372136,59.90658444,107.3151641,99.67083804,73.95954783,83.39126113,82.6888385,106.1808555,103.0796577,69.65119576,75.7393577,73.04072884,72.28610759,71.62310491,72.48266438,74.06325166,74.07916569,69.33359855,"HMDB0040636","M-H, M+FA-H","C26H32O11",47.2,-2.027349873,"(7'S,8'S)-4,7'-Epoxy-3,8'-bilign-7-ene-3',5-dimethoxy-4',9,9'-triol 4'-glucoside"]
["2.01_393.0946m/z",393.0945599,2.010083333,"neg",21.823243,12.21813046,8.677038332,14.54367437,16.18934385,13.45819213,8.809666286,12.12709842,22.34496277,19.04612768,28.54906428,29.99510453,19.42541937,17.31696704,27.40866676,32.55772965,26.17629925,25.32179139,31.24835877,25.44308706,21.19792734,33.72996936,35.4295189,36.01230658,31.44474394,32.43875691,31.48938521,28.426044,30.35761603,38.2142691,36.67333935,40.07167852,"HMDB0014391","M-H2O-H","C21H21ClN4OS",47.1,-0.14312872,"Ziprasidone"]
["2.23_215.1405m/z",215.1404939,2.226916667,"neg",8.74255347,4.569381163,9.591237961,7.227869031,6.820540138,4.419500478,10.64558684,7.810184827,8.675835644,7.239410907,4.526482319,8.331736538,7.914919187,4.410548069,3.947910687,7.24754291,5.474503573,5.125919792,10.41712096,6.684325324,6.861452644,5.685394545,4.482212101,11.35733047,5.293562036,5.111080484,6.368600705,6.071470784,5.896170247,5.269454425,6.520727536,6.396120202,"HMDB0029140","M-H","C10H20N2O3",47.1,1.747904474,"Valyl-Valine"]
["13.58_307.1908m/z",307.1907851,13.58433333,"neg",3.6694308,2.377018154,0.334804493,7.02729322,2.193928167,8.439004677,0.555626605,5.286074453,1.224928557,4.394771969,4.53239009,4.785911234,2.356241891,3.925858085,4.412847675,3.95364209,1.52317546,3.162542962,7.212369637,3.774465622,1.415541961,2.135454666,2.655281154,3.081276756,2.427835186,1.753920126,3.457284406,2.370657247,3.262802124,0.989162587,2.321146675,1.358948515,"LMFA01030447","2M-H","C9H14O2",47.1,-2.264184692,"2,6-nonadienoic acid"]
["14.20_800.5425m/z",800.542491,14.19613333,"neg",506.0388988,210.0189842,87.13277959,70.7414222,103.2272485,201.9689568,82.02619858,76.12650314,347.8591222,152.7153033,184.642776,137.9282382,127.7887936,152.0403058,199.4670881,136.3503573,280.1995931,383.2998421,246.911986,437.0445429,147.38147,293.0044363,367.4603057,240.97592,210.8825448,216.9619183,218.1752766,213.0639835,220.5491649,199.3178492,228.915098,224.7003381,"LMGP02010554","M+FA-H","C42H78NO8P",47.1,-2.934294376,"PE(17:0/20:3(8Z,11Z,14Z))"]
["13.57_822.5273m/z",822.5273191,13.57416667,"neg",66.24060559,25.64422854,4.314167567,6.580729336,9.72722744,14.27827628,4.376835839,8.195692336,34.64504143,15.50152067,41.61483907,14.34877268,12.17628508,12.08016853,40.44853687,12.75844999,29.65426639,31.6846227,18.0763772,35.43273328,8.730541707,29.00051329,32.42229755,13.03308814,25.23279592,25.84749125,23.30709996,22.82096133,27.32088605,24.16585375,23.73583055,27.96883229,"LMGP02010619","M+FA-H","C44H76NO8P",47.1,-2.236348556,"PE(17:2(9Z,12Z)/22:4(7Z,10Z,13Z,16Z))"]
["3.02_456.1640m/z",456.1639769,3.016866667,"neg",3.198844841,15.86461948,9.656152867,6.408443139,8.444720981,16.17562659,12.40565923,6.42289941,7.774995922,12.33430366,5.64009175,2.229199191,3.646937517,11.09679649,5.82278552,1.905010634,0.992237807,0,0.630101852,0.024227934,0,0.380405625,0.03884448,0.699290016,4.088244556,3.676341648,3.642303657,5.46743956,3.720801247,4.23331136,3.617446663,3.989793512,"HMDB0001533","M-H","C20H23N7O6",47,0.594647636,"5,10-Methylene-THF"]
["7.48_243.1240m/z",243.1239759,7.479483333,"neg",238.5933537,141.8784418,116.2426318,191.9167927,147.9899894,134.4720173,129.1154034,196.113261,109.1082174,166.7742212,138.6339057,184.672462,123.3827036,160.8743582,136.1986804,171.8370265,75.76450368,107.8384729,105.896717,95.41910828,56.76893601,61.77530669,104.6336557,102.1839013,127.6111581,126.2896695,133.418762,133.0569583,126.5330161,134.3159775,127.5512082,138.6127225,"HMDB0032472","M-H","C12H20O5",47,0.731400573,"Polyethylene, oxidized"]
["2.57_219.1488m/z",219.148836,2.56835,"pos",24.42322298,33.97818143,15.4467383,14.01253186,9.514833381,38.65922213,18.70804403,12.84032124,45.29231376,3.764678097,26.73570054,11.81804768,13.28671671,3.7015911,24.58612108,13.8088408,13.23987042,9.517480889,8.229519797,6.168107085,17.27421601,15.93469769,10.30467187,9.173259718,18.25335961,15.69595838,15.21152991,17.15333804,17.58495208,15.15862986,14.34120309,13.513691,"HMDB0038835","M+NH4","C13H15NO",47,-1.758199856,"(E)-1-Cinnamoylpyrrolidine"]
["10.70_568.3609m/z",568.3608759,10.70215,"neg",2785.123503,6127.033672,4065.826613,3034.117127,4250.993253,6325.721607,4199.103402,2896.000849,6617.656705,5992.56239,5063.583181,4172.654929,6608.455353,6175.208622,5202.160802,4303.538038,12414.33727,9088.547257,6594.987218,9060.159907,15256.34646,12379.32774,8862.509636,6502.616897,6748.710293,6233.141026,6251.942142,6237.692498,6276.940226,6193.079098,6641.951623,6458.511852,"LMGP02050026","M+FA-H","C26H54NO7P",47,-2.133586617,"PE(21:0/0:0)"]
["9.80_295.2276m/z",295.2275742,9.799516667,"neg",1201.683627,2332.713913,1459.847394,1353.566091,1753.253135,2325.556267,1508.266721,1359.098089,2014.781357,1548.891418,1695.648718,1707.997867,1390.626246,1489.102353,1777.018121,1766.204729,1573.212224,997.8552699,1197.323565,1351.1703440000001,1847.175536,1667.390797,1009.619764,1197.714715,1529.662896,1504.418504,1487.680556,1494.170841,1493.99364,1529.112557,1533.266898,1574.906073,"HMDB0004667","M-H","C18H32O3",46.9,-0.993283085,"13S-hydroxyoctadecadienoic acid"]
["1.38_129.0558m/z",129.0557682,1.380283333,"neg",10.83377587,10.05740063,18.38637004,12.96867206,8.248792941,10.79184588,14.6230252,12.34901338,11.63830666,10.16368172,9.055310658,13.73906735,15.79073091,12.21147756,9.839936233,13.98997116,10.60554491,17.75739443,14.52907925,9.716182128,14.0697335,12.01927472,14.59023782,13.69556887,10.26150831,11.38869258,10.00702231,10.02255693,9.537113377,11.31057776,12.35944202,9.744817499,"HMDB0006024","M-H","C6H10O3",46.9,0.387679078,"Mevalonolactone"]
["13.17_652.4531m/z",652.453134,13.17385,"neg",59.98182021,124.2526371,144.3777919,48.14596072,74.40566425,124.4972417,147.944046,50.04193779,225.7499377,105.5255672,102.7598897,99.56040353,145.952795,107.5663133,105.6667492,96.01662445,217.5426024,146.7382956,93.08823171,108.6677477,260.4712658,220.9975746,146.9135818,91.97536833,100.8890563,107.3172462,108.5452578,103.1815574,106.3337842,102.4473872,102.1164819,110.1194397,"HMDB0010405","M+FA-H","C32H66NO7P",46.9,-4.541806958,"LysoPC(24:0)"]
["4.45_970.5016m/z",970.5015732,4.451466667,"neg",70.2767845,27.58412972,1.164603384,0,0.31049025,25.77557532,0.669394022,0,0,1.27709969,0,13.019845,30.7928499,0,0,11.91401995,9.655235773,0,0,0,0,8.59625583,0,0.565962808,9.630116886,8.361084515,8.513289449,6.894134924,7.714767388,6.898788859,5.208837243,6.498891099,"HMDB0014784","M+FA-H","C47H75NO17",46.9,-0.140068371,"Nystatin"]
["8.10_596.3191m/z",596.3191295,8.101116667,"neg",23.5353775,71.49840684,58.99566726,31.0376648,89.33107502,79.39208596,56.40821672,39.53984992,111.1354796,92.7121766,79.8467259,89.58854946,79.88329872,85.68621744,82.26928415,83.70024643,112.5085176,51.87846704,86.12536297,64.57435041,237.4214481,126.6314346,52.83201401,86.31079609,83.6952894,78.83646728,77.6890484,90.3583012,79.77711664,89.21347696,84.82291176,76.29449709,"LMGP03050020","M+FA-H","C26H50NO9P",46.9,-2.525115354,"PS(20:1(11Z)/0:0)"]
["0.91_164.0471n",182.0807572,0.905616667,"pos",147.3014289,116.8513271,145.4786475,124.8983815,97.18015667,115.7795495,144.8293386,125.7463829,199.4086011,101.1123235,172.6414494,155.1538551,118.760285,107.689113,168.2395602,150.9288083,240.9519308,280.597874,152.9120634,269.5779504,147.5996993,234.0253866,266.312614,147.2892976,174.9227561,174.5480039,168.343568,178.5662502,186.7144429,183.3118334,173.8923414,176.9079698,"HMDB0041592","M+H, M+NH4","C9H8O3",46.8,-1.475561765,"Coumaric acid"]
["3.26_261.1344m/z",261.134427,3.263516667,"neg",121.2974108,89.85924328,63.31473681,96.00921574,103.8923626,92.5100649,64.49333606,99.42440671,74.76897015,94.94879832,92.98170359,93.81888831,85.96016172,92.9917212,95.98967993,88.34428415,39.28192032,49.60334213,72.34321679,68.85015944,48.91018146,35.45194614,49.24640319,70.86916002,84.49914533,87.03306954,82.58670541,86.26406431,93.62020049,84.44814417,87.91118215,85.04341537,"HMDB0000888","M+FA-H","C11H20O4",46.7,0.300623153,"Undecanedioic acid"]
["10.29_580.3611m/z",580.3611177,10.288,"neg",7.862676758,21.07606067,12.85942651,14.63686442,16.06261102,19.30406318,14.18462918,7.816598924,34.853784,10.85089332,9.194749209,14.03926614,14.46270678,22.06696277,11.51609688,22.42940507,37.2463686,11.83639082,5.919155541,11.19339845,14.946528,41.99937774,9.903713674,8.172084605,14.18021901,15.51422579,17.17067599,9.918466666,13.47027595,12.5376644,12.98322414,14.25658545,"HMDB0011491","M+FA-H","C27H54NO7P",46.7,-1.634101453,"LysoPE(0:0/22:1(13Z))"]
["8.65_846.4413m/z",846.4413275,8.6511,"pos",11.87102911,7.78401228,4.480488227,12.98504832,9.54955714,8.053256828,6.993192748,6.245869562,5.982252604,10.80576795,3.90800069,3.575434639,2.877746582,10.17144937,5.775389083,6.59822752,7.570165079,5.206117028,14.25547226,8.096025232,3.103176394,9.928598808,6.775490695,11.94740778,52.25311606,53.5987686,51.95838469,48.36298827,53.87549395,47.64431959,43.57578104,40.36837775,"HMDB0030404","2M+NH4","C24H30O6",46.7,-1.177402402,"Armillaripin"]
["5.93_301.1654m/z",301.1653577,5.93305,"neg",2.971807901,13.8676564,14.84616049,5.04067147,18.54874108,15.18378422,15.59557932,5.299953602,3.656529668,47.52775592,15.06040539,7.364944922,6.35937101,48.81905275,17.79406063,5.622109836,4.774769077,2.502083732,9.330999124,0,5.524945849,4.796718418,2.315993287,10.09368358,15.01313446,15.8174643,14.49732683,15.28230968,15.52306646,14.98939905,17.18470757,16.4855336,"HMDB0030993","M+FA-H","C14H24O4",46.7,-1.18823353,"5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid"]
["10.93_340.2835m/z",340.2834599,10.92841667,"pos",58.75068067,61.12711361,48.51797492,59.1426007,55.41586056,55.90146224,52.07697999,59.79246247,62.81994035,52.02883703,65.92316952,53.69213434,67.08132388,54.30044072,60.55259384,70.85253055,46.59022311,57.89433046,51.88148945,60.3099052,60.46830397,45.37834833,62.19390594,51.74904385,74.91610043,62.28452066,61.701092,62.54121615,64.595608,72.70408297,69.7591837,70.24649636,"HMDB0036802","M+NH4","C20H34O3",46.7,-3.601483056,"Austroinulin"]
["2.01_196.0734n",179.0701159,2.009233333,"pos",4.585269286,3.304157742,3.087316524,4.171273028,4.323674239,3.536297611,4.388965148,4.275796168,8.178837273,6.740269748,8.334220854,10.07404653,8.232817889,6.269031695,10.6262754,10.76227101,10.06594928,11.02518904,10.61215323,8.002267489,10.22983268,11.63659996,11.08318309,10.70150142,10.26887261,10.38638802,8.541207891,13.16424717,10.80280364,11.14002095,11.72006734,10.02444243,"HMDB0062121","M+H-H2O, M+H","C10H12O4",46.7,-0.789039087,"Hydroferulic acid"]
["15.00_830.5888m/z",830.5887741,15.0021,"neg",758.6799579,349.756911,304.1078116,129.269566,197.2385684,282.7090036,278.0732593,116.3134212,590.3431422,195.9059963,257.4633951,230.5123741,234.3480153,192.5902415,241.0488916,196.5343265,372.0320297,673.7981515,366.3078271,704.5117081,161.3096291,380.5345553,597.8616987,336.6705397,217.5464459,225.382467,215.8642659,220.9595979,206.7544821,209.4883272,226.1238664,218.4221992,"LMGP02010559","M+FA-H","C44H84NO8P",46.7,-3.671166112,"PE(17:0/22:2(13Z,16Z))"]
["9.76_453.2851n",454.2923491,9.764116667,"pos",1352.1722,2106.014192,765.4494549,551.5984288,629.14751,2119.767982,759.4418958,525.1453153,2511.175405,1388.858243,994.8319452,893.8944871,1354.997759,1463.221121,1014.310019,870.157026,6179.132514,2030.206748,1630.822473,1682.631754,7553.096609,5950.39871,1721.384327,1661.4116,1951.292783,1849.056631,1827.96174,2101.558539,2029.629633,2152.126258,1988.835562,2003.674151,"HMDB0011473","M+H, M+Na, M+K, 2M+H, M+H-H2O","C21H44NO7P",46.6,-1.029708649,"LysoPE(0:0/16:0)"]
["11.55_802.4857m/z",802.485659,11.54543333,"neg",0.786381595,12.37699746,11.30468472,0,36.6900055,34.16382019,11.58323963,0,16.24855533,11.20277774,28.79469144,6.278414192,13.57279492,16.09329347,30.46274437,16.07674574,12.36925264,5.946097191,4.779797767,7.352562778,30.02160223,11.47693299,0,0.560570134,17.1607254,12.88299548,16.53740762,13.71638725,14.50344285,17.57464986,13.00381378,13.21714289,"HMDB0012338","M+FA-H","C40H72NO10P",46.6,-2.54521261,"PS(14:0/20:3(8Z,11Z,14Z))"]
["3.10_446.2955m/z",446.2955022,3.097633333,"pos",3.234831082,2.33429039,2.972519222,5.226329641,1.211978612,3.058461566,3.379168738,3.774196985,2.531371742,3.132265194,9.461479045,7.871442178,3.262612153,3.350185337,7.539746932,10.02286542,4.012188228,16.16451372,84.42778099,7.678186457,3.323658627,5.217035159,14.44351221,80.04688733,5.613990144,5.360824132,4.78629173,6.262036131,5.029211073,5.848634582,4.943954139,5.588436501,"HMDB0012936","M+H","C20H39N5O6",46.6,-4.06066621,"Dynorphin B (10-13)"]
["5.97_213.1134m/z",213.1134224,5.965716667,"neg",56.66461124,65.6216146,41.65870116,59.15407312,55.45641785,68.68688723,43.65620232,59.79410922,30.49995278,44.75670727,45.42912451,30.12855574,33.52857703,45.3189067,44.66842276,30.52330898,12.21681792,7.154341533,17.09403267,12.31315415,8.544467045,10.3310925,7.562468086,22.80087029,29.95436138,29.10828746,30.47032053,31.37267746,31.37196562,33.37528801,34.60282301,33.81778251,"HMDB0030984","M-H","C11H18O4",46.6,0.886167453,"5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid"]
["10.93_308.2350n",309.2423192,10.92841667,"pos",10820.07524,9522.819289,7572.365354,9735.635599,7601.135078,8916.549738,7109.197178,9339.586243,9004.919659,6954.535839,8606.616114,9325.348345,9257.782286,6826.06802,8456.104458,9905.465237,4507.437089,6128.203628,6275.110507,6762.507022,5637.219327,4214.536152,5793.277134,5710.85818,8446.982475,8264.963519,8143.18068,8103.072473,8950.413089,8434.208599,7729.700017,7794.729589,"HMDB0031379","M+H, M+NH4, M+K, 2M+Na","C19H32O3",46.6,-0.33131704,"Annosquamosin B"]
["8.24_310.2142n",328.2480545,8.2446,"pos",125.2797916,131.1056756,96.67526078,114.8649514,82.78861569,123.2153378,97.98117022,112.5755721,112.5920878,118.6259948,102.9721663,132.5136664,101.6739353,118.0592811,101.9558111,144.540971,119.376523,109.7985863,97.83464937,116.9634403,100.6465338,104.4716075,100.4145904,93.87649157,110.3629055,106.3108798,100.190197,102.034207,114.9187046,113.6462031,109.8915188,100.0434925,"LMFA02000018","M+NH4, 2M+Na","C18H30O4",46.6,-0.581906055,"9S-HpOTrE"]
["0.73_222.0740n",261.0371154,0.727083333,"pos",378.3593086,393.3698114,521.9360699,388.8986742,423.4181851,395.606707,556.8634749,383.4611439,465.4005864,495.2709831,497.236849,437.4713487,496.1985913,508.9220402,487.0837935,417.8913076,520.4732,501.8859552,446.6372699,507.5018199,616.5875533,505.4659375,497.8904461,477.387643,445.8697216,450.1401874,451.4516767,496.0029986,526.2262403,555.1365187,505.4517236,495.8314202,"HMDB0010325","M+K, 2M+Na","C8H14O7",46.5,0.020408176,"Ethyl glucuronide"]
["1.14_201.1231m/z",201.1230831,1.135283333,"pos",183.833158,318.7789391,470.3569302,289.7529798,232.6489969,327.0164159,474.4196888,296.2970342,154.7111944,94.96108159,74.70848294,77.02218986,162.5581514,98.37763041,74.00760154,77.98444436,103.2606731,93.93091923,76.22186652,37.92796716,264.8506626,103.8913803,96.32875032,70.28070165,139.5283576,129.9979306,121.0026946,133.7967543,139.0487382,140.6332896,131.4584028,127.1067213,"HMDB0029137","M+H-H2O","C9H18N2O4",46.5,-1.309658106,"Valyl-Threonine"]
["2.01_357.1184m/z",357.1184098,2.010083333,"neg",431.1116744,298.3602003,267.69623,325.1380228,398.2455431,295.709108,274.0187046,316.2865381,487.8553897,430.0063988,673.4216838,746.4138029,531.5445808,435.3601116,683.2222575,759.0853452,706.9823653,726.9778865,769.8381192,619.5836707,597.3614229,718.4194014,766.3747011,725.9512326,689.616617,703.247601,677.7741395,684.2438691,711.8308222,714.8895145,725.8146637,719.7209727,"HMDB0033301","M-H2O-H","C16H24O10",46.5,-1.850494206,"(1x,2x)-Guaiacylglycerol 2-glucoside"]
["9.00_346.2587m/z",346.2587428,9.0017,"pos",110.0534369,182.5525053,155.2769981,133.5534787,171.0142359,164.5181397,142.1508062,125.1799211,198.1803099,130.831984,158.8383837,205.6814513,138.9050828,129.2519457,154.9246572,204.9809656,181.2815806,127.2624593,142.0299742,138.8919416,166.1960531,174.3198573,129.7990309,136.6496068,178.8889537,187.3969716,180.9725352,175.3055594,199.5618775,178.1318192,164.2445987,172.3918853,"LMFA02000106","M+NH4","C18H32O5",46.5,-0.173124645,"11-hydroperoxy-12,13-epoxy-9-octadecenoic acid"]
["11.37_510.3552m/z",510.3551589,11.36628333,"pos",16.19820203,17.64318228,26.97023137,10.21990138,17.02282787,24.66400066,20.32924217,9.202793972,26.43496876,17.24323751,15.6732019,14.95172134,27.0425825,16.3109647,16.63794457,16.86920702,29.36972912,24.83770636,24.8188547,22.19392007,43.75309824,32.39547662,26.06206341,21.24004523,16.89064836,20.97398055,16.39835182,16.99934635,19.67485443,21.69267097,23.76745418,23.7546775,"HMDB0011481","M+H","C25H52NO7P",46.4,-0.504876814,"LysoPE(0:0/20:0)"]
["4.96_241.1085m/z",241.1084785,4.963766667,"neg",622.1438603,726.5999951,637.9266433,660.5841759,879.5801278,721.8761463,701.5537769,731.2085152,391.009782,863.0902433,672.0116395,756.6942734,440.7352875,864.5119106,666.4595098,768.9198314,473.1844944,434.1199839,595.7497563,472.9346962,392.4503996,498.3405549,451.3966084,611.7257465,585.382435,591.4033911,568.7053454,583.5443566,561.9360729,630.6020852,638.3058856,631.2326126,"HMDB0036226","M+FA-H","C11H16O3",46.4,1.689084755,"2,6-Dimethoxy-4-propylphenol"]
["2.63_172.0982m/z",172.0981946,2.62755,"neg",11.12739897,11.4408769,36.71109524,27.7685141,22.55619608,10.59797074,39.08893477,27.67252833,27.70406814,10.1278706,18.6127823,23.50483762,22.20462062,10.50148783,22.19691981,23.77869727,20.79787102,25.24649021,18.62743314,17.66108071,25.61725604,21.06127586,23.49757715,17.65154612,27.55147146,27.13962989,27.64558637,26.46305211,27.42123848,30.02901103,30.87228097,34.31868727,"HMDB0040030","M+FA-H","C7H13NO",46.3,2.185124803,"1-(1-Pyrrolidinyl)-2-propanone"]
["12.27_226.1565n",244.1904632,12.26565,"pos",41.27106173,34.68347272,35.74325603,16.73088226,17.18803313,38.13231245,39.52471283,35.13313542,96.6543882,22.75230234,20.26216741,91.34676055,58.60945892,20.83608937,19.48894859,93.36216805,52.69979734,33.67061152,27.19656095,33.15792792,27.36941862,58.02539718,33.78387847,29.73175994,118.196856,117.4608388,117.8104118,108.4971484,131.2042313,129.5857,144.9768385,146.5730147,"HMDB0040615","M+H-H2O, M+NH4, M+H","C13H22O3",46.3,-1.86686731,"4,5-Dihydrovomifoliol"]
["5.80_491.2761m/z",491.276145,5.804083333,"pos",0.214795992,2.393477523,2.846278852,2.505733445,2.7093375,3.183773743,3.63979285,3.747217502,6.672269479,5.244649321,11.6045275,4.669263154,4.719802842,7.758147488,9.470167449,6.15498938,10.85464452,12.77100869,8.26166992,10.94782842,1.220826478,10.74625746,11.38565288,7.824099757,5.789731304,7.994254878,7.117204025,6.969699066,10.21866006,7.6191151,4.99552068,7.472828905,"LMGP04050014","M+H-H2O","C24H45O9P",46.3,-1.350435572,"PG(18:2(9Z,12Z)/0:0)"]
["0.72_120.0803m/z",120.0803421,0.71675,"pos",94.36905177,105.9960218,220.9288153,106.3170034,125.2069399,108.7391543,197.7571651,98.96017486,155.8565767,130.5850075,119.3584254,138.4206102,125.8747326,143.4904703,131.2818262,121.4717061,172.1301705,207.0876489,229.5745059,160.2764197,257.2851525,164.4658509,206.5504032,205.1448203,144.3585986,133.3208942,131.2542873,132.8781748,153.434457,154.4792512,145.219664,164.1365867,"HMDB0001065","M+H-H2O","C8H11NO",46.2,-3.163005972,"2-Hydroxyphenethylamine"]
["9.81_540.3291m/z",540.3291126,9.810033333,"neg",1166.648977,1282.963069,448.097411,354.6050484,361.1556272,1271.015444,446.2788684,343.6113257,1653.46387,590.9591691,564.7359056,585.7038469,580.024189,566.5818676,594.1037401,610.8746208,2465.153666,902.9228288,736.230863,753.7034771,3185.592153,2530.244372,901.9074695,736.8634386,1022.84139,995.7567131,998.4588616,979.0918623,978.540942,968.5885868,993.1478441,1026.6027,"HMDB0010382","M+FA-H","C24H50NO7P",46.2,-3.189502413,"LysoPC(16:0)"]
["2.81_515.1176m/z",515.1175848,2.807483333,"pos",15.79182597,1.884873636,15.39383658,24.34436415,2.043642808,2.464695649,14.37607621,26.32924206,7.38673605,8.680907749,18.42511301,29.54941606,5.958927784,9.694929562,16.03598736,30.76465787,76.3957885,21.96740838,26.12653819,10.54040323,13.37055515,72.37898835,20.35759506,19.16584445,25.43182897,22.6942157,25.02053161,22.72293932,19.06097084,23.64098497,19.96189312,18.35243268,"HMDB0014467","2M+Na","C9H11FN2O5",46.2,-4.1356248860000004,"Floxuridine"]
["3.60_507.2071m/z",507.2070883,3.596183333,"neg",36.94562112,37.3767646,38.99505097,52.48442158,57.08875301,36.80373215,39.23262567,51.39842918,27.55890078,55.8431104,54.56659656,95.22322309,52.54371063,62.29269407,57.58622816,94.02075879,92.90903982,132.1165428,100.8961706,85.31726196,58.84544961,93.51198401,122.5838803,101.6057328,58.72379049,64.4693241,60.01882421,63.66074317,63.84331636,68.11840595,65.67443714,61.29243423,"HMDB0038117","M-H","C22H36O13",46.2,-2.413318029,"6-O-Oleuropeoylsucrose"]
["8.00_520.2666m/z",520.2665669,7.995666667,"pos",0,13.03211835,6.582558014,2.103444961,19.76350703,13.76163037,7.884332398,0.506636801,8.325324979,10.41440733,16.16412461,9.42186685,11.41562928,9.260185062,13.99775803,7.942275977,23.28989808,0.598229055,17.04026936,6.887818938,27.45510342,24.2112595,4.044334089,17.29004842,13.23904306,14.77347703,12.94910767,12.29912178,11.4197963,11.50953969,12.71792402,9.320288565,"LMGP03050002","M+Na","C22H44NO9P",46.2,3.976861278,"PS(16:0/0:0)"]
["8.12_627.2777m/z",627.2777484,8.123116667,"neg",121.4087879,401.8718385,265.8233379,214.5969885,522.1291884,419.2722616,242.4065211,163.8050806,313.9344388,392.3516052,417.821708,374.0954643,442.7201828,415.7238089,461.1223029,421.5358456,509.5062686,280.0486221,558.3963073,356.6369158,606.3606582,499.252613,258.3713379,553.8298354,433.8368577,409.8311562,425.5962796,390.6582963,397.3978996,383.4700802,431.9578192,378.0943401,"LMGP06050015","M+FA-H","C26H47O12P",46.2,-1.662537891,"PI(17:2(9Z,12Z)/0:0)"]
["1.88_188.0353m/z",188.0353106,1.8796,"neg",3.412010633,2.611808215,6.742665268,5.220170688,4.146145847,2.621491758,6.134640722,4.951725835,3.742175341,3.250013038,5.561699757,4.912805262,4.470631836,4.291381385,6.495600041,5.064312236,5.744890951,5.213173934,6.467422156,4.31448986,7.358742533,4.662716193,6.798659875,6.210011651,5.377713521,4.825594427,4.954037871,4.560454505,6.078977345,4.966045916,4.862971931,4.647378696,"HMDB0000715","M-H","C10H7NO3",46.1,-0.032125738,"Kynurenic acid"]
["1.43_192.0654m/z",192.0653651,1.433266667,"pos",11.7160257,12.77733245,20.58220581,15.86608838,20.28339882,13.71434643,24.0422408,14.85420569,16.62638727,18.04647323,16.44436608,19.27075729,21.3568156,17.55725249,15.69727972,20.52895298,19.32958045,25.090761,24.24846116,23.66147612,26.34232656,20.2857579,23.21218107,21.44664796,19.75089379,18.00273211,16.82450237,18.62783262,19.17460446,20.26984298,18.16887412,17.78630371,"HMDB0000763","M+H","C10H9NO3",46.1,-0.808798545,"5-Hydroxyindoleacetic acid"]
["1.86_190.0496m/z",190.0495947,1.862316667,"pos",20.70852605,17.7093961,28.10433575,24.19323905,18.40994542,20.99689928,31.93520887,28.97862498,28.70247213,21.0903885,30.59512784,24.81863852,26.99115766,21.69396729,28.30972901,26.07314594,32.71487799,32.65538475,31.53694271,26.72106539,35.69545928,39.484219,33.90308161,34.68658588,28.3355944,26.18956052,24.76072024,29.80843074,28.58711082,28.34087752,27.31697822,26.47296941,"HMDB0000978","M+H-H2O","C10H9NO4",46.1,-1.327174707,"4-(2-Aminophenyl)-2,4-dioxobutanoic acid"]
["6.90_341.1955m/z",341.1954528,6.900783333,"pos",4.026052574,1.941236359,3.159748984,5.438750551,4.433235762,3.172790262,2.749158134,5.092330756,3.509850533,4.372223276,6.061194204,5.198664853,3.011856049,4.553252565,4.880883766,4.781191558,1.432969322,3.801344933,3.444203324,1.301742467,1.545773039,1.955762349,3.165477332,2.6728445,3.914376598,4.31815652,4.248229035,4.410613063,4.8209383,4.328065967,5.078039494,5.628383102,"HMDB0030471","2M+H","C9H14O3",46.1,-1.211876736,"1,4-Ipomeadiol"]
["2.67_170.1170m/z",170.1170474,2.673733333,"pos",4.758230395,4.380785187,6.336747182,6.48023365,4.661401632,6.772583687,7.520761769,12.77779883,5.889441633,7.173995526,6.443730128,8.974954565,7.049145852,7.100396517,5.926932203,8.332375042,7.111019638,4.88611215,13.84299502,6.090173304,9.251347938,6.683197477,4.560155964,15.3902842,15.2214602,14.75360996,12.75132105,17.81347511,18.92494572,20.22284235,18.3851352,19.68196018,"HMDB0037790","M+H-H2O","C9H17NO3",46.1,-2.713691113,"Polyethylene glycol"]
["6.91_591.3004m/z",591.3004493,6.910183333,"neg",6.859634213,7.374376677,8.224698252,9.217353021,8.240930524,7.573784005,8.175023573,8.442352369,7.178987328,8.20926531,6.601740545,10.32401418,9.741793239,11.37682794,7.086363737,8.511689866,25.18914625,13.36837613,18.09137062,8.779692792,15.47016839,26.5764123,13.43576883,13.60600262,11.49732155,11.31126278,10.61978992,10.89604668,12.72846316,10.66140476,9.352404236,10.5923243,"HMDB0060782","2M-H","C18H20N2O2",46.1,4.676535572,"6-allyl-8b-Carboxy-ergoline"]
["7.41_293.2111m/z",293.2110654,7.411916667,"pos",1337.153402,1380.132521,1276.203713,1306.529359,1348.83102,1380.465476,1234.780817,1308.610262,1749.654929,1259.753227,1314.988403,1542.579279,1170.620727,1277.122067,1324.274562,1516.58793,1136.161301,1198.397342,1104.5873,969.5538439,1158.951785,1065.949003,1103.216419,1040.571856,1350.925761,1347.749095,1309.056523,1361.791875,1433.600244,1437.535381,1328.770549,1316.631336,"LMFA02000192","M+H","C18H28O3",46.1,-0.191043644,"9-hydroxy-10E,14Z-octadecadien-12-ynoic acid"]
["11.76_324.2291n",325.2363281,11.75836667,"pos",123.9001544,122.4787174,78.41029223,99.81130848,122.361607,111.8630836,82.11371603,95.53273336,82.2000352,62.90844367,104.9482825,97.04421362,75.81568441,62.42415414,100.3323919,100.1084806,40.12311975,44.87492837,51.66511186,54.03383919,47.75878665,38.46307711,44.58660717,54.76759063,85.71737023,81.44024044,84.16880267,77.91524834,69.29878488,58.83708644,74.12043394,72.37377585,"HMDB0031007","M+H, M+NH4, M+K","C19H32O4",46,-3.108352699,"1-Acetoxy-2-hydroxy-16-heptadecyn-4-one"]
["7.49_243.1604m/z",243.1603531,7.49015,"neg",3.364390624,3.20096876,13.23689631,12.42269771,2.218131525,2.742140512,12.76686529,14.27371154,5.418313844,4.911099192,2.248655643,6.050729875,3.544551778,4.635133387,2.211619388,6.584348094,3.813701281,7.841740072,5.86563679,10.52966268,9.913678786,4.214977359,9.821484548,7.456594395,10.76150651,11.74453592,12.30996797,11.15387523,10.65839229,10.25751987,10.05927529,10.5486136,"HMDB0032248","M+FA-H","C12H22O2",46,0.859352205,"11-Dodecenoic acid"]
["4.70_477.2335m/z",477.2334533,4.69745,"neg",4.852653762,4.486204749,13.32378275,10.24310082,10.85785491,5.759884116,11.97324138,13.69357707,9.96153023,5.574244285,10.26438343,5.616425091,4.53509119,6.628564906,8.153410556,3.258910284,9.926914659,11.46026228,9.319359566,10.83785527,17.61016018,11.22060899,14.44340887,10.87725743,5.869547874,8.240608841,5.966896337,8.855973144,6.505580808,6.952788653,8.179345918,6.055571661,"HMDB0037823","M+FA-H","C21H36O9",46,-1.578486996,"Glucosyl (2E,6E,10x)-10,11-dihydroxy-2,6-farnesadienoate"]
["3.60_511.2379m/z",511.2378559,3.596183333,"neg",1.604954217,0.480093283,0.69147377,0.754045695,2.054606647,0.274098803,0.443001854,1.875589245,1.581992656,2.255966226,5.279531387,7.884897485,10.45127304,2.694423735,6.853457597,8.544005507,8.523531804,7.158693992,4.511021635,3.641967896,4.535382772,6.846332484,5.295843056,4.958391042,4.657030909,6.05801312,3.015888363,3.790234974,5.194614461,3.205254566,5.238085441,5.619601276,"HMDB0038738","M-H","C22H40O13",46,-3.433890885,"Ethyl 3-hydroxyoctanoate O-[glucosyl-(1->6)-glucoside]"]
["9.60_325.2369m/z",325.2368696,9.598833333,"pos",194.5193634,136.4757468,127.8355593,170.5143842,172.4680902,135.5763588,125.6622737,164.9874794,113.6254496,162.7612814,216.4436463,219.2888397,212.7435863,162.0601252,203.0777926,237.9490623,247.7766326,250.5409394,255.7490581,267.1356256,167.579635,235.5007332,221.0606181,230.0796065,203.7190097,202.2739825,193.5465958,201.642864,220.3833402,201.3315701,198.8422929,201.3310217,"HMDB0040901","M+H-H2O","C19H34O5",46,-1.362517085,"13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid"]
["0.91_128.0104n",129.0177984,0.905616667,"pos",36.45364221,35.20014058,61.00254647,34.71389754,48.16978884,36.09311857,60.03731254,34.80430579,35.46380038,48.90327191,43.09161334,31.28079252,43.29830084,51.54329767,41.61315445,29.43594116,48.61687097,43.59561,50.25973638,42.16046014,49.22630573,48.68546661,41.97981847,50.52472576,42.31060504,41.7634148,39.91793384,44.43900222,42.05380716,41.63775452,40.65534637,41.45837959,"HMDB0059784","M+H-H2O, M+H","C5H4O4",46,-3.987654836,"5-Hydroxy-2-furoic acid"]
["4.33_479.2123m/z",479.2123316,4.334133333,"neg",16.16250477,10.4774474,12.80610955,18.66334939,20.92368769,11.76327836,10.95253454,18.26025784,8.158860355,18.3101554,25.52419859,48.44192522,21.25523927,18.16123028,26.49749512,45.20596405,61.46716149,66.8647453,48.28645985,42.99672243,24.04801795,62.36285495,62.16319903,48.44979838,31.03693819,29.65691429,31.57542858,29.07190871,30.19140997,29.58085802,30.37567596,29.46839885,"LMFA13010046","M-H2O-H","C21H38O13",46,-2.144652034,"2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid"]
["8.10_551.3215n",552.3288213,8.101266667,"pos",23.33422596,67.6121299,41.44579229,31.01581285,79.82071868,66.37349046,40.0049076,33.49448443,98.62470659,75.07253446,77.66632531,67.5496228,76.74943435,77.43638867,74.28250159,68.54723161,99.87906151,51.66341254,71.20330341,56.61288782,177.4380647,96.92111896,48.94186641,64.87989379,70.61232171,71.6574253,64.77808282,68.32164506,74.7429892,77.45670919,73.0009644,69.73909819,"LMGP03050020","M+H, M+Na","C26H50NO9P",46,-1.403819254,"PS(20:1(11Z)/0:0)"]
["9.67_410.3256m/z",410.3256453,9.669766667,"pos",0.19792777,1.226384737,6.955741776,2.826867851,3.056921366,0,6.979364754,8.276803686,0.366513734,1.687580401,0,5.140906653,0,2.21559235,0,4.981399813,1.822142915,4.094031481,0,0,8.436886555,2.622040668,4.502975808,0.451732727,6.114525168,4.875827894,6.800823302,9.137868974,12.47053918,14.03851676,11.18021187,13.55958964,"HMDB0000348","M+NH4","C24H40O4",45.9,-2.141295722,"3b,12a-Dihydroxy-5a-cholanoic acid"]
["3.96_901.5033n",946.5014088,3.9595,"neg",486.4821167,224.5524515,22.1299292,18.63860938,16.57695757,227.998585,21.07128781,16.42497015,11.61981205,18.89556961,3.294289857,135.1658884,376.5686248,22.10535991,3.828015588,133.150774,87.27170421,12.64224267,9.86706404,9.538785292,1.424499332,81.47572528,9.855540105,9.39400472,81.19051415,81.43430476,83.39938146,82.57741785,77.21665368,74.45231593,71.668501,73.86070371,"HMDB0029343","M-H, M+FA-H","C45H75NO17",45.9,-0.253081549,"beta1-Tomatidine"]
["0.98_186.0758m/z",186.0757507,0.983233333,"pos",14.7943812,15.29457701,23.54154853,13.61855819,16.06928775,15.34987959,24.38576635,13.77026398,16.11385066,18.96442826,10.87002608,9.222979787,17.19696161,16.87996889,10.98251412,10.46795419,16.40061711,9.361054714,14.27612814,10.82049653,21.38260458,14.06198335,9.935221497,13.04998499,15.30914359,15.49879194,14.26386428,14.59781215,14.61962357,15.66226044,16.06465163,15.08525359,"HMDB0033129","M+NH4","C8H8O4",45.9,-1.985078304,"3-Acetyl-4-hydroxy-6-methyl-2H-pyran-2-one"]
["4.70_297.1344m/z",297.1343816,4.69745,"neg",36.97237414,21.30109427,20.99324169,31.7482132,26.31277424,22.84531756,21.09150812,25.09468051,21.98967924,28.37890787,23.48669114,20.71902083,21.95562071,32.0648078,23.48371335,18.37760964,9.472015306,13.36988417,13.59942274,10.51918373,9.791653947,7.720272036,16.24467644,12.05813809,23.43443487,23.02613678,24.52513647,20.04894274,22.06053133,17.54005387,20.48844005,22.79684409,"HMDB0033197","M+FA-H","C14H20O4",45.9,0.077584509,"2,2,4,4-Tetramethyl-6-(1-oxobutyl)-1,3,5-cyclohexanetrione"]
["1.54_235.1441m/z",235.1441439,1.54095,"pos",74.59418361,66.5988621,63.53709233,71.06066131,30.66144215,65.81697866,64.06074383,66.55532554,115.0703511,13.00513853,114.5890546,104.9870775,53.18169703,12.126916,110.259815,105.1021873,110.8205578,62.80732856,61.10809032,32.49085189,53.62916382,106.9455557,66.2137171,58.20302523,89.66690524,86.50452495,78.57637729,89.24610437,89.70627073,88.38264851,83.13968996,83.48201291,"HMDB0033461","M+H","C13H18N2O2",45.9,0.169348646,"4-Coumaroylputrescine"]
["9.59_469.2577m/z",469.2576623,9.58845,"pos",65.46292091,70.41702593,58.52486642,49.95815238,75.37277453,74.46380264,56.4339316,51.02532765,40.0118135,29.95525513,73.48301164,51.40012445,48.46403426,26.51776399,64.89286405,51.06660749,20.16281986,26.02642439,30.1307416,29.89106515,29.32887757,15.37470686,27.81986583,30.85972781,52.09775904,50.07416175,39.82189179,51.24526275,47.54084779,50.60522939,42.40735381,47.40509357,"HMDB0034077","M+H-H2O","C28H38O7",45.9,-1.651326372,"Withaperuvin C"]
["11.05_633.3994m/z",633.3993811,11.05296667,"neg",26.01143261,13.05376537,9.29341482,7.387906884,21.64393142,15.66747037,4.407249029,7.089106636,15.6318897,15.03757832,16.68819732,15.85740978,6.920801538,16.55072766,20.05944092,18.57750833,10.22872286,8.672580626,10.00574693,8.521847744,15.84825951,10.51078675,6.948319559,8.591668529,11.16704405,14.5980996,12.67420096,12.30293613,13.92262183,15.52272186,13.56131595,10.53035345,"HMDB0039049","M-H2O-H","C36H60O10",45.9,-2.185502439,"Notoginsenoside T1"]
["0.66_371.1192m/z",371.1191802,0.658483333,"neg",2457.951928,1515.210778,1322.954455,1684.788324,1222.899159,1463.05031,1454.78354,1645.349317,1958.356933,1716.963792,1612.403081,1714.109671,1934.754681,1778.455403,1724.688008,1954.480639,1712.263319,2799.508782,2246.301886,2942.658112,1574.21017,1658.269694,2980.619892,2284.12491,1902.526628,2007.585347,1933.670681,1840.153682,2058.863201,2027.223499,2144.735355,2133.898364,"HMDB0040154","M+FA-H","C12H22O10",45.9,-0.979941747,"6-O-b-D-Fructofuranosyl-2-deoxy-D-glucose"]
["10.03_548.3420m/z",548.3420443,10.02798333,"pos",345.5473226,346.2167163,232.3636267,310.7124438,333.8167562,342.9173178,236.7977737,299.0614336,464.1552538,291.8890552,302.3361139,442.9350077,266.1603825,296.8762179,289.4984697,471.1384856,166.3191676,272.8807477,281.0968597,289.2829598,196.7902931,158.2287777,255.9112334,259.1273145,294.3465775,296.8290717,287.9162052,288.2397621,302.6831975,295.169605,284.1101908,282.5927538,"HMDB0040844","M+NH4","C27H46O10",45.9,-1.657281944,"(S)-Nerolidol 3-O-[a-L-rhamnopyranosyl-(1->2)-b-D-glucopyranoside]"]
["1.15_299.0771m/z",299.0770588,1.1518,"neg",82.47051977,83.59829062,90.74965443,71.04610328,67.13547495,84.17114433,96.1237584,71.42451541,148.2852017,55.59708164,80.24898981,86.27671013,92.4053131,57.56983241,82.50629825,88.3267951,88.72380189,100.3196482,77.57560286,96.98054414,96.59906651,89.93348615,102.6616993,76.64837024,81.72371972,83.9150703,81.79645167,80.93310078,82.05053239,83.6185311,83.91306402,85.64511153,"HMDB0041271","M-H","C13H16O8",45.9,-0.607364415,"Salicylic acid beta-D-glucoside"]
["3.87_225.1138m/z",225.1138402,3.873833333,"neg",26.40156677,33.6289743,38.49362879,26.05262943,34.39746303,34.2989895,33.26519283,24.70410066,16.96174914,31.87205386,32.14586618,20.73875141,20.18610035,29.54841514,30.36114446,36.27124104,15.99434476,14.67485579,15.79082933,22.68390006,9.265396858,11.79698842,8.572234005,33.37286642,31.74850748,26.75888299,26.87518001,20.710648,27.29503175,22.18339585,22.67284864,36.31639342,"HMDB0059729","M-H","C12H18O4",45.9,2.687098986,"3,4-Methylenesebacic acid"]
["8.87_311.2219m/z",311.2219015,8.8674,"neg",1177.997782,1719.610968,1109.753306,1229.622203,1335.924903,1781.982539,1136.442293,1248.166901,1379.343942,1152.174637,1131.469403,1387.772901,1031.924707,1158.680285,1174.30086,1467.138616,1059.597387,929.6060462,926.1071606,986.6410532,1051.55394,1030.2009,930.2642536,952.748115,1106.141148,1022.641891,1114.290622,1058.822164,1124.041692,1186.102141,1173.721766,1063.438211,"LMFA01030487","M+FA-H","C17H30O2",45.9,-3.311424108,"16-heptadecynoic acid"]
["5.24_386.2902m/z",386.2901954,5.244033333,"pos",23.38784384,39.40665432,8.144023769,1.619052586,8.877534298,39.38912473,2.060354404,0.250798603,124.8125444,6.314908216,31.80918118,25.86117912,3.296569854,6.446264176,34.41814713,25.42602493,38.38608977,5.618453273,3.749022715,5.890796798,5.042278692,40.79725532,5.717940688,2.421854274,37.74112116,31.1630097,30.26047145,30.24455215,31.32707072,34.86707258,32.30084784,32.95624231,"LMFA08020087","M+H","C21H39NO5",45.9,0.248123175,"N-palmitoyl glutamic acid"]
["7.35_594.3045m/z",594.3044641,7.351316667,"neg",16.16271074,34.16089244,30.37017489,37.75451254,24.66878183,32.17101828,27.61730301,39.67304747,12.321687,40.09054852,13.35153865,15.73044138,24.74473383,36.73948167,15.1129173,19.51910997,49.09033443,21.37909523,34.74007527,21.76936972,26.77789868,45.86700059,19.74744283,34.33592269,19.87276336,26.86401722,27.23323807,26.27594809,30.81308209,23.19508428,25.05987511,28.83584603,"LMGP03050021","M+FA-H","C26H48NO9P",45.9,-0.741800639,"PS(20:2(11Z,14Z)/0:0)"]
["3.81_188.1055n",187.0984103,3.811166667,"neg",5528.496736,3079.463934,3477.620457,4281.934487,5159.311138,3079.571068,3465.544428,4276.041955,3395.282397,4830.116192,4433.305345,3830.633245,4775.437295,5004.475942,4841.28972,3689.525452,1871.194089,5459.108669,4493.315093,6525.931476,3307.332024,1931.099505,5625.657062,4669.537686,4210.039686,4060.619601,4139.72516,4088.949863,4075.654794,4307.822011,4210.976854,4316.777298,"HMDB0000784","M-H2O-H, M-H","C9H16O4",45.8,3.593436894,"Azelaic acid"]
["6.96_239.1290m/z",239.1290483,6.963166667,"neg",216.6413909,244.5243639,195.3612394,215.0764178,191.7695113,255.6133947,206.5968228,220.4720998,146.7024448,184.5053501,165.1322294,153.9067764,150.852815,181.8776189,179.6248772,154.8648196,75.12213259,58.04621732,111.962631,101.3262199,69.20701485,71.60595237,56.8577682,111.9790318,142.599039,133.9347496,139.0356325,148.1567364,152.8185377,156.9138609,155.3865161,146.8672775,"HMDB0034450","M+FA-H","C12H18O2",45.8,0.852853269,"Neocnidilide"]
["2.87_430.3314m/z",430.3314042,2.869383333,"pos",87.44460577,83.63515201,243.926119,200.9218069,132.2778603,94.85551897,208.2727955,158.0288377,116.1014572,239.2352636,91.27475988,29.536885,81.07764473,267.8007872,80.8441695,28.45218255,41.98709563,64.95464698,103.6204997,68.4243519,54.41834193,42.45484728,59.83568066,94.32307083,84.96601217,82.20411844,88.58654916,81.43475157,77.04315412,72.92621777,77.2782953,75.0077975,"HMDB0039022","M+NH4","C27H40O3",45.8,-0.403879212,"Unknown 370"]
["9.51_249.2211m/z",249.2211455,9.50815,"pos",82.8623678,83.02551996,59.31107227,74.69360962,41.42298782,76.90831337,54.84931128,79.45496367,114.9885912,69.72182656,64.02913346,77.4617492,77.16647981,68.04991668,60.06722728,87.1201151,88.70693943,67.58045836,53.27602526,67.7566204,84.52691384,77.69993766,63.62000143,50.4590896,68.19863683,75.11983847,71.94521155,69.83909261,75.46303873,75.39770402,70.61024118,72.61798864,"LMFA01030485","M+H-H2O","C17H30O2",45.8,-0.550115262,"9-heptadecynoic acid"]
["12.94_842.5514m/z",842.5513589,12.9362,"neg",10.5217439,10.67145396,0.792767102,5.116119547,10.15352842,11.4358215,1.434775448,6.520807638,14.37767034,7.068335032,12.99132967,11.78290475,6.844413309,6.61102859,13.90567686,6.703749854,7.007091062,8.419107858,5.321167243,14.41089124,9.479965703,8.28773231,6.376286917,5.644421411,5.509572504,9.588626096,9.984946532,8.933725812,6.453129058,5.286090206,6.121137499,7.834734385,"LMGP03020017","M+FA-H","C44H80NO9P",45.8,-4.90711397,"PS(O-16:0/22:4(7Z,10Z,13Z,16Z))"]
["0.69_151.0490n",152.0562451,0.6868,"pos",68.81833564,62.16897619,41.9512907,56.44386937,54.9721441,49.4653135,50.19466075,51.12304764,44.90267817,50.77506401,63.6252031,35.04666331,44.44334594,63.83628343,70.34474318,50.34872594,54.4920619,65.47243667,49.65659039,78.65950717,41.30108312,57.8921094,79.99128572,48.43446778,66.26496447,57.66335981,56.03149342,54.91481194,58.41437558,69.50114399,62.49342673,51.45580953,"HMDB0000132","M+H, M+Na","C5H5N5O",45.7,-2.920281901,"Guanine"]
["0.91_118.0857m/z",118.0857251,0.905616667,"pos",75.25993459,80.70819273,98.81068315,76.52337648,74.42693904,80.86317331,90.88408034,69.53577331,94.12024275,77.18969345,87.10991757,88.21519627,90.60135447,81.32930278,92.89503519,84.94757437,130.7977805,109.8855035,109.2678358,107.1219687,120.4272288,130.2065796,108.3441083,107.8149204,105.2572827,101.4016576,97.1418428,104.6130687,109.8239642,104.689276,98.89380166,108.8028661,"HMDB0003355","M+H","C5H11NO2",45.7,-4.526098501,"5-Aminopentanoic acid"]
["13.52_445.3670m/z",445.3669535,13.52055,"pos",178.206152,335.6080526,209.0999124,114.0744705,202.1796944,335.8281155,189.8417025,92.22384316,283.1512849,229.0043978,208.7242681,93.08364269,156.8337012,223.4433767,187.2379873,106.3015012,129.5746535,39.71914521,171.2324781,59.49894514,152.8809824,124.9243147,37.99096452,162.6959626,113.2888254,160.0123824,170.2691088,120.1584759,121.9130461,129.0369713,166.7024172,170.6426989,"HMDB0011662","M+H","C29H48O3",45.7,-1.503965282,"3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate"]
["1.09_327.0934m/z",327.0933724,1.086133333,"neg",0,3.96401621,11.92127025,3.960409775,6.320133894,4.284354079,11.03498151,4.020652018,1.238932514,1.021551595,3.459007148,1.337198904,1.677012469,0.579450215,4.601460537,0.669447855,2.392225456,0,0.487556542,0,7.822732121,2.333936934,0,2.47290946,1.84671678,0.801443542,1.708627752,0.95181044,1.490661606,1.031309965,1.557906109,1.951914179,"HMDB0029918","M+FA-H","C10H18O9",45.7,0.309657081,"Arabinofuranobiose"]
["10.39_322.2142n",345.2024598,10.39351667,"pos",884.3823422,657.9794662,788.09699,819.4236791,813.2061072,669.9949186,662.6560281,854.0029081,401.7663856,517.2424766,711.2243945,604.3991276,584.084308,460.3050452,638.5849672,601.6209683,329.6784524,360.6420749,467.4123709,354.7279565,325.5209044,304.238048,353.2419886,471.5464671,612.3050782,648.8885776,595.4307162,607.7516722,588.473157,681.4917384,591.1761937,590.8790932,"HMDB0033615","M+H-H2O, M+Na","C19H30O4",45.7,-0.745919284,"(S)-[8]-Gingerol"]
["0.59_154.0621m/z",154.0620983,0.594333333,"neg",38.92828501,79.69898393,141.896886,96.62640748,105.8731052,72.84383458,136.7608001,80.4569885,132.2129375,32.25044102,68.75606269,64.70488131,126.4424965,29.8699437,65.44272343,67.33068509,91.18229312,141.9617295,59.69636457,106.489936,103.9798742,85.72566841,150.1551344,64.61324782,97.43538475,99.33869123,102.1051599,106.9218883,99.09093272,95.95694907,103.2700222,109.7938482,"HMDB0034267","M-H","C6H9N3O2",45.7,-0.656600421,"L-2-Amino-3-(1-pyrazolyl)propanoic acid"]
["2.87_884.4999m/z",884.499934,2.869383333,"pos",3340.693049,3643.976668,8918.077535,6957.00025,5239.116672,4002.6488,8384.515184,5950.123339,5059.324682,9050.379257,3763.010686,1312.169597,3378.138781,10169.77463,3684.634203,1337.793325,1961.93227,2973.306521,4500.999448,2971.078963,2593.703038,1911.544876,2720.686122,4074.736684,3620.111717,3542.439155,3415.990763,3362.14168,3573.127482,3306.024609,3317.921368,3248.835888,"HMDB0034356","M+H","C45H73NO16",45.7,-0.314363257,"alpha-Solamarine"]
["4.91_263.1289m/z",263.1289005,4.9096,"neg",4.273971498,5.510282061,8.530805972,6.51844126,7.680229248,4.500676908,10.58811345,7.363773794,8.919321132,9.531878853,11.1303429,6.421490925,13.07871725,10.49578938,11.62447687,7.114286579,11.73799668,7.302169202,6.517778513,7.265274893,10.65565806,11.50658522,9.462309278,5.346756544,8.910698267,8.113440323,7.657554633,7.840461579,8.309066643,9.616019367,9.91716144,10.74614918,"HMDB0035140","M-H","C15H20O4",45.7,0.067563743,"(S)-Abscisic acid"]
["2.82_637.2345m/z",637.2345004,2.821716667,"neg",3.024937494,2.620862243,9.528969316,8.832822297,6.055500263,2.409236923,9.276515704,6.997862515,2.069810398,9.248909492,4.411453548,5.306739094,8.986652178,8.804769239,4.826676161,4.318688355,5.703330152,12.59372001,11.10540633,10.99700322,6.648961102,6.401682295,10.45617177,8.910225346,5.570890221,5.48846303,6.202977693,5.82988044,6.787718662,4.027689048,5.988297808,4.900878969,"HMDB0035305","M-H","C27H42O17",45.7,-0.662873295,"Kanokoside C"]
["10.14_530.3682m/z",530.3682014,10.14016667,"pos",73.17836454,33.25884964,15.29654016,46.63097112,40.93945574,33.5617168,16.41016236,42.94156821,21.16032698,17.74019292,23.96773415,15.84714593,16.66944101,20.96327243,22.67716072,10.88407993,2.327994258,6.437852867,12.88711282,13.83242565,3.046055237,2.246813105,7.12256245,13.26746479,26.65483964,27.84594684,18.00424921,21.34355871,21.67019436,21.73478113,24.47451181,21.47509464,"HMDB0036143","2M+NH4","C14H24O4",45.7,-1.059138236,"Monomenthyl succinate"]
["14.40_573.4500m/z",573.4499659,14.40161667,"neg",202.4653361,313.8945241,171.3479106,156.5472663,225.4659236,270.5484158,162.6725925,148.8982909,454.3655219,224.3773625,279.9777516,325.9882675,223.7520828,213.6879235,288.946563,302.3399009,335.2341633,263.4910566,222.1455815,211.5236721,350.176268,357.7868664,242.00844,229.009322,236.2921053,256.5751172,242.1052416,235.2280895,220.1031576,237.5258781,266.7306774,251.4970845,"LMGL02010458","M-H","C36H62O5",45.7,-4.321872932,"DG(15:1(9Z)/18:3(9Z,12Z,15Z)/0:0)[iso2]"]
["0.65_258.1102m/z",258.1102343,0.6461,"pos",9253.260895,7122.090041,6034.473903,7535.61628,6101.993357,6959.918756,5626.161244,6962.482919,7552.991946,6642.116168,6962.390613,7323.246439,6605.360582,7030.667406,7629.911841,7044.521038,6279.432268,8159.895479,6003.474225,8634.357099,6135.664297,6011.095701,7942.627739,5977.659844,7320.30886,7131.256511,6831.373399,7217.266655,7541.588044,7622.825897,7348.024426,7407.135545,"HMDB0000086","M+H","C8H20NO6P",45.6,0.520784442,"Glycerophosphocholine"]
["11.26_293.2473m/z",293.2473199,11.25561667,"pos",254.3164899,821.0600194,524.0374258,337.2587035,759.0446443,789.0933157,483.4285805,301.5591507,754.639038,435.4205477,796.4859927,866.5534164,609.9665246,418.7998379,705.1461994,840.6889893,556.693597,360.7437609,568.9114162,450.5930837,925.2518605,537.324504,358.2349361,533.1247733,611.0005394,601.144256,555.094736,581.0997931,633.7741793,616.5803951,593.5770397,576.1409784,"HMDB0000369","M+H","C19H32O2",45.6,-0.639052511,"3b,17b-Dihydroxyetiocholane"]
["1.86_354.0944n",353.0871466,1.857933333,"neg",746.5680031,414.7094044,734.4243829,813.243178,444.940273,419.7345544,775.5629441,845.6808013,642.8664309,545.6533079,762.291719,882.1474813,529.1386476,551.5481671,821.7607962,941.3059637,1457.013418,978.9092941,1161.064999,1146.754655,735.2583304,1472.829659,993.3514892,1121.202393,864.7255327,888.414472,889.3069161,868.169655,865.6190459,936.7679199,932.0986639,926.3126371,"HMDB0003164","M-H, 2M-H","C16H18O9",45.6,-1.861318326,"Chlorogenic acid"]
["7.82_313.2364m/z",313.2364225,7.8197,"pos",18.39358398,33.02301898,16.24120554,24.551465,20.10123946,32.85017044,17.22630288,24.62829474,102.7909241,29.10911538,62.93403213,90.19873937,89.08429308,27.57413359,65.84857748,88.5473447,157.4373168,135.764469,90.02069722,95.69483749,118.2200507,162.4431584,126.5127294,83.60023182,69.59550049,73.49597811,67.06972576,70.47512385,76.39799945,76.7768218,71.68797898,73.76973277,"HMDB0004708","M+H-H2O","C18H34O5",45.6,-2.765955829,"9,12,13-TriHOME"]
["0.68_246.0608m/z",246.0608041,0.67625,"pos",76.99657897,60.96566055,130.3243125,95.89062265,83.44529748,79.53968776,108.6145536,88.08367169,88.81223291,138.6860487,91.02317807,78.82411127,117.1310009,138.2727714,91.11199511,73.25199527,142.0702703,98.13889587,93.87797985,156.4392301,92.82691868,125.3543411,117.6275683,90.18028937,109.3397662,113.0644966,96.94224809,90.65993549,112.9574924,118.9438937,112.2217071,122.3528348,"HMDB0029944","M+H-H2O","C9H13NO8",45.6,-0.091313961,"Ascorbalamic acid"]
["9.02_293.1768m/z",293.1767879,9.0154,"neg",52.89197659,24.93345614,49.06335221,63.83130789,17.41075897,26.44773412,48.60189411,65.02936997,39.49318497,40.54620606,29.13526778,44.36344644,38.82354257,38.64211974,27.9366544,40.88068928,39.1014469,48.6106556,45.2697805,61.05958615,57.57501982,37.17820316,51.40750493,45.07031091,52.49592059,54.46992547,49.63419645,54.5448298,53.26560853,55.14665969,52.45048057,50.5895681,"HMDB0036640","M+FA-H","C16H24O2",45.6,3.848237435,"Furanofukinin"]
["10.27_415.2687m/z",415.2686708,10.2719,"pos",1168.308502,646.1145619,371.9844233,695.8755911,643.3652482,661.220189,368.7056149,681.281896,623.4524581,530.0010842,555.9533448,708.4704658,437.1823189,552.7916237,553.2377338,683.0497834,230.5098438,397.1662375,470.6451611,530.1339884,240.6675734,221.8279646,401.8561302,441.3537251,563.0913611,577.418625,585.243125,590.380338,593.9691041,580.4175667,554.7483159,591.9956007,"HMDB0039883","M+H","C22H38O7",45.6,-0.866956831,"Ascorbyl palmitate"]
["9.84_627.3858m/z",627.3858222,9.844883333,"pos",53.88431003,39.71465295,42.74535304,41.29292967,56.15138728,38.35113424,39.88478406,40.81123017,35.5077054,32.50939057,51.08893916,53.88857655,37.47523962,26.01257061,51.07204477,52.89516019,12.16724981,15.89274744,20.59177905,13.30495021,10.26667428,12.99586655,11.65424768,14.42290711,49.03901323,48.95972969,46.08493579,38.87813987,37.71023895,28.46065831,27.59647373,34.58504997,"HMDB0040498","M+Na","C35H56O8",45.6,-1.517572133,"3-Epipapyriferic acid"]
["12.44_282.2557n",283.2630132,12.44408333,"pos",209.9512542,298.9165691,228.9119612,263.5089151,384.0087688,271.0920481,221.684062,267.4701047,451.6764603,302.066679,285.9927505,265.4222739,201.3556613,321.2879504,278.6228864,260.2570036,338.5831119,238.1833523,235.8917231,269.0308202,349.5115197,296.3738406,212.8368991,234.1491554,282.1812343,270.2334156,291.9516899,315.0233149,321.7846566,303.259988,313.3184042,299.8439721,"HMDB0041480","M+H, M+Na, M+NH4, M+K, M+H-H2O","C18H34O2",45.6,-0.508555713,"(Z)-13-Octadecenoic acid"]
["12.89_269.2475m/z",269.2474786,12.89088333,"pos",52.8640474,51.01251306,38.77685848,49.62146242,59.91757914,44.2020293,37.99952067,45.09348342,34.82298169,43.31493547,41.1480642,44.33154581,36.60329087,40.63029477,38.33091455,46.49643054,21.6976863,29.9979336,61.91717934,34.08886578,28.00773025,19.11055016,27.38085035,60.39375421,22.30948149,41.88510459,35.52066429,27.65230122,39.92356659,30.32254081,34.22552946,34.74756867,"LMFA01050053","M+H-H2O","C17H34O3",45.6,-0.098214184,"17-hydroxy-heptadecanoic acid"]
["6.41_327.2170m/z",327.2170154,6.4072,"neg",3015.597321,3059.239979,2349.300106,2673.561585,2146.514872,2982.496037,2385.822587,2728.542489,2380.346192,2321.311591,2483.500214,2464.319206,2556.16458,2413.238094,2542.340789,2492.927435,2125.687847,2400.102366,2326.261161,2372.953265,2150.871291,2127.996313,2422.832369,2290.118296,2296.686439,2250.586387,2285.984095,2310.498437,2391.267767,2348.043766,2386.789259,2385.882939,"LMFA01050146","M+FA-H","C17H30O3",45.6,-2.417423914,"12S-hydroxy-16-heptadecynoic acid"]
["7.30_343.2118m/z",343.2118214,7.297483333,"neg",1003.548196,1018.586234,915.6451619,1022.654916,1123.035994,1026.447274,927.5316005,1035.925362,879.8487523,1117.622318,1061.186533,1204.433391,819.3387403,1146.824006,1119.268831,1162.045177,678.0437936,682.1795744,739.4494458,569.4041494,680.3568793,691.0311808,702.232646,705.4741943,893.5148598,879.0623495,900.0460112,957.8384703,960.0204664,1013.850204,985.2161873,982.1655819,"LMFA01170053","M+FA-H","C17H30O4",45.6,-2.652183058,"8E-Heptadecenedioic acid"]
["1.66_187.0632n",188.0704294,1.657616667,"pos",469.890895,472.3430757,658.7100319,534.6536066,398.7176355,503.5786853,687.3080813,582.4496594,722.6304924,519.03521,541.408334,450.85874,623.1074558,510.5885422,524.5802377,466.2264359,1163.384279,999.2009195,740.9125191,968.9523925,529.3429472,1141.971697,1005.752652,781.3374326,729.4749,733.7059041,658.0878203,758.9955409,731.7412356,747.8474936,718.0268503,702.9200417,"HMDB0000734","M+H, M+NH4","C11H9NO2",45.5,-0.938683734,"Indoleacrylic acid"]
["7.32_474.2596m/z",474.2596103,7.319066667,"pos",14.37884631,16.76040851,11.65192734,15.39528349,12.37262692,16.40048394,12.03633779,16.44344205,9.734130176,19.79424042,12.03604993,18.97140015,11.56813132,23.40808753,10.73452317,15.13879613,24.53432633,11.60378404,21.38686834,15.80010518,19.89095575,20.28609486,12.49956788,20.27094447,18.44624956,17.79511469,14.60877543,17.9624664,15.6422277,15.20137789,16.27392062,15.37775436,"HMDB0011474","M+Na","C21H42NO7P",45.5,1.108605984,"LysoPE(0:0/16:1(9Z))"]
["10.74_508.3390m/z",508.3390483,10.73871667,"pos",15.85374299,35.4524138,25.4496439,19.73090594,48.52686751,34.1729978,29.0975135,22.11101831,70.60093577,45.35524124,32.62974431,55.03314482,36.29109195,38.00256429,29.76609088,55.91871469,84.75455059,34.25362574,38.17019431,30.91792688,49.55141019,68.70944827,37.39144497,38.96295757,41.50122791,47.33651754,52.76381261,52.89301998,53.13318444,49.37953041,49.7564076,41.92961577,"HMDB0011482","M+H","C25H50NO7P",45.5,-1.414624723,"LysoPE(0:0/20:1(11Z))"]
["3.87_243.1243m/z",243.124281,3.873833333,"neg",306.1762008,352.4581203,305.4085685,304.9654657,374.8168701,362.3871615,322.9947766,296.863886,233.7150332,295.505813,265.43114,175.1729683,239.0123474,294.1563977,267.7968738,178.5250207,73.49433389,51.93014198,95.86864562,63.24680016,75.64261877,78.22306646,51.43053297,101.8867841,198.0147981,189.9393397,191.6619039,195.0207531,196.3473494,207.8361495,208.3532552,184.6457838,"HMDB0031897","M-H2O-H","C12H22O6",45.5,1.845255609,"Phaseolic acid"]
["3.34_478.2050n",496.2384195,3.3386,"pos",240.6123194,297.5410466,269.1136867,293.3271474,263.3545144,284.5795357,255.4890099,272.563814,191.1577585,302.4468007,224.3155536,304.5579214,208.1290632,288.6121626,216.6546648,326.3514894,258.2673627,212.9424022,278.857787,186.5124897,168.999745,245.7432943,188.2189018,243.1049344,246.6678806,259.0555146,232.2063283,242.9211814,268.5570862,243.0727004,242.2009991,232.1724521,"HMDB0031918","M+H-H2O, M+H, M+NH4, M+K","C21H34O12",45.5,0.036544338,"Suspensolide F"]
["2.70_928.4908m/z",928.4908457,2.70305,"neg",81.83102991,93.3608727,96.8060698,65.98264706,86.69460473,84.78916592,91.57731414,65.30541619,113.9427763,196.0887302,45.32826319,32.26384875,81.36379203,198.1875992,48.2447427,32.38243197,53.56427115,49.91416054,83.16302668,51.64394449,52.42334966,52.39365687,49.73185503,79.57633893,68.94185041,72.20352662,76.03981394,70.32216718,71.59238839,70.54172962,69.48409456,68.49096085,"HMDB0034356","M+FA-H","C45H73NO16",45.5,-0.331014017,"alpha-Solamarine"]
["4.69_414.3361m/z",414.3360855,4.693833333,"pos",5591.538666,3957.151489,9091.844771,7717.003874,7266.113983,3886.86925,8834.96047,7532.116691,6373.860155,8852.788265,3043.916228,2733.01805,7561.469156,8662.360196,2954.506266,2803.381582,2503.700219,5141.886212,6268.412731,5620.427995,3492.486963,2341.730719,4977.352112,5977.774042,3926.089998,3974.727838,3740.404823,4036.413532,3978.621863,4023.928885,3884.218408,3706.952872,"HMDB0038504","M+NH4","C27H40O2",45.5,-1.439785857,"alpha-Micropteroxanthin B"]
["4.39_219.1378m/z",219.1377945,4.386633333,"pos",11.22221654,13.5793919,15.41504123,14.03737675,17.9695121,13.67426612,19.79038233,11.87093788,17.1646957,12.74797443,8.108703196,9.846867828,26.65308638,11.5835783,5.394363799,11.34776852,12.36807233,15.43458874,10.13593556,12.34570124,17.25394511,11.38301947,14.28588322,9.179563673,13.31088552,12.05150282,10.38986572,11.85576804,16.17845307,16.39667449,12.12017494,10.83859314,"HMDB0040778","M+H-H2O","C14H20O3",45.5,-0.684768222,"Eremopetasidione"]
["1.87_477.1028m/z",477.1027587,1.8691,"neg",1260.150496,754.0490976,1156.368523,893.8713431,676.7975888,776.7653548,1218.580295,910.5002536,1139.353162,1739.734927,440.9885852,964.0576733,959.4735637,1814.746629,461.1147114,1036.179113,481.2903066,1700.121139,1087.003861,1181.2167,1299.110198,506.8593,1798.009767,1080.484025,926.8537224,922.959043,947.8701987,963.9039157,1030.117903,1134.654539,1109.672262,1112.868807,"HMDB0041675","M-H2O-H","C22H24O13",45.5,-2.199085475,"4'-Methyl-(-)-epigallocatechin 3'-glucuronide"]
["10.98_339.2529m/z",339.252918,10.9785,"pos",102.3850647,86.53452772,91.27545486,95.03595934,161.323717,74.48576834,92.79602278,98.99368551,52.29300824,80.8905659,197.4240893,149.4287589,155.4637408,81.1830273,182.8150275,155.6077282,98.19869314,128.2626122,138.3944326,133.1284244,93.84116724,99.88550394,117.2116252,129.0994052,138.3776597,136.6779575,130.1427389,128.6215506,143.1954954,150.0470974,144.9733721,147.367694,"HMDB0062571","M+K","C18H38NO2+",45.5,-1.647021846,"3-dehydrosphinganinium(1+)"]
["0.56_399.1443m/z",399.1443476,0.562766667,"pos",53.17454194,35.94081841,44.64219311,36.46941613,42.59479187,36.15202313,44.34922009,34.1490444,49.34701105,28.98854525,43.21528455,44.33437081,39.63815461,30.5243856,48.78915127,41.4994597,27.37651926,61.28526171,14.05066134,52.64852232,18.27622921,31.03063056,60.91157945,16.39555244,45.74839148,51.27706959,46.70119912,48.26521036,50.90087961,44.99167027,51.5175206,45.46951014,"HMDB0062709","M+H","C15H22N6O5S",45.5,-0.42106288,"S-adenosyl-L-methioninate"]
["12.62_669.3988m/z",669.3987932,12.62021667,"neg",21.94039299,9.924279589,0.444258891,14.8633081,12.44422914,2.981766992,3.464260865,6.599075134,5.005136333,7.744448033,8.790663204,13.10419339,3.956870475,9.043956561,7.81086354,12.27852309,11.89656166,5.041687265,2.259821929,7.859052211,4.959813834,5.58321144,4.861972807,4.61276763,9.99522134,12.5730221,7.37636303,12.40336131,16.98831543,12.58219317,9.324046918,9.71780908,"LMGP04010001","M+FA-H","C31H61O10P",45.5,0.569455802,"PG(12:0/13:0)"]
["4.60_367.1151m/z",367.115148,4.6019,"pos",0.321497657,0.150001981,1.759799898,1.784681924,1.891568831,0.430363144,2.463717514,2.243970454,1.296948607,0.757727323,1.77837427,1.535898646,2.972787581,0.975581168,1.297136631,1.461984039,2.611496271,3.858926125,1.689486811,3.480521833,0.638114727,2.735807296,4.718179933,2.341483125,1.27545849,1.639346881,1.360857814,2.557488702,0.878637081,2.090919296,1.824045434,0.979099278,"HMDB0000017","2M+H","C8H9NO4",45.4,4.250310993,"4-Pyridoxic acid"]
["5.15_231.1240m/z",231.1239793,5.1541,"neg",14.63930046,4.32465437,6.5207306,9.521366379,8.990513321,4.017373925,6.769435994,11.68631471,4.872929838,5.122986189,10.37985249,11.69687174,9.666549856,5.614103837,9.520071585,12.11064529,6.408058027,9.462874958,12.47907248,9.115016616,9.783574962,8.002419927,9.72808942,13.32726746,10.39865901,10.54615926,12.32492734,12.01417899,10.6249407,12.84377514,11.47733216,15.7620248,"HMDB0033010","M+FA-H","C10H18O3",45.4,0.977842184,"(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol"]
["7.48_309.2059m/z",309.2058752,7.48,"pos",554.6797396,411.7556972,386.7601676,506.320751,418.1037104,411.4402365,372.3593351,493.604734,372.8952507,468.84173,406.3939074,490.0217806,380.4960519,457.706145,396.3320192,515.0060482,316.9681576,363.6737998,351.0446312,340.0736242,259.9621147,294.8992227,359.3485355,337.2638378,409.2417202,433.0695865,410.4759717,419.607212,440.3246247,429.6672258,412.5103341,407.7902319,"HMDB0033243","M+H","C18H28O4",45.4,-0.521218382,"Corchorifatty acid D"]
["3.38_579.1724m/z",579.1723535,3.38135,"neg",14.71947938,25.64724824,56.06007495,39.02669135,56.59170327,27.45342695,54.71425413,38.8021366,10.17900001,9.897230456,25.60235739,21.30848045,31.3591364,11.42971952,28.73622324,20.54782829,29.88741815,34.60266894,29.07884358,30.82789191,25.22712071,32.62445797,38.40809947,22.89420467,18.92816425,19.67366792,16.79914027,22.4499948,20.6187207,15.86825626,20.27499288,17.47847806,"HMDB0035216","M-H2O-H","C27H34O15",45.4,0.70913871,"10-Acetoxyoleuropein"]
["5.79_506.2950m/z",506.2949709,5.793966667,"pos",1.311176751,1.49136084,0.564436575,1.911651885,0.012417436,1.040323769,0.601526765,2.61766561,0.005685016,0.26533709,1.470305811,2.681418159,0.185668945,2.447918338,0.441981352,4.594163194,11.2860199,7.828935656,4.212386556,2.606081455,4.939437033,9.061405922,7.19255207,2.447605335,2.421812267,3.109266062,2.901190392,2.516780453,3.378876472,1.248216213,2.777139984,3.555999399,"HMDB0038732","M+NH4","C24H40O10",45.4,-2.052416378,"alpha-Ionol O-[arabinosyl-(1->6)-glucoside]"]
["3.03_93.0346m/z",93.03460789,3.027533333,"neg",144.718358,7.717719825,4.508858148,1.769060371,0,7.718798867,4.834366759,0.990001114,0,13.01578982,0,0.419203168,0.149145149,12.86451545,0,0.241336923,0,0,0,0,0,0,0,0,18.36301367,16.67700509,18.47209153,19.98661129,16.78849531,21.48451579,21.19974887,19.82463366,"LMFA06000017","M-H2O-H","C6H8O2",45.4,0.17413445,"6-hydroxy-2,4-hexadienal"]
["0.78_565.0474m/z",565.047439,0.77515,"neg",60.04967882,2506.83803,10148.86387,2943.682509,5055.924571,2536.302744,10346.63256,2963.202423,4060.097644,7742.624317,4193.725859,117.1444157,3824.152694,8135.285963,4325.820356,128.3442304,7355.391956,6181.659528,5601.8956,6904.08956,8429.944877,7458.670005,6490.089561,5642.378981,5299.671968,5309.029637,4980.540755,4823.009964,5068.565623,5081.823767,5175.192245,5117.850977,"HMDB0000286","M-H","C15H24N2O17P2",45.3,-0.539047806,"Uridine diphosphate glucose"]
["10.59_463.2900m/z",463.2900302,10.58598333,"neg",36.76652983,33.78811127,28.24185003,31.26230592,33.65327508,40.56256773,35.7053926,29.63332638,34.41403877,35.26560402,31.54861432,35.32320793,31.33780321,33.22689013,34.47633586,32.5289899,18.66764451,31.89352051,28.72427808,37.32792219,28.452474080000002,16.70974381,32.53231771,34.65597661,23.47576534,27.87454606,30.34550946,29.69180039,25.18492129,31.22161473,29.61927682,32.50253847,"HMDB0010331","M+FA-H","C22H42O7",45.3,-2.931706352,"Palmitoyl glucuronide"]
["2.30_335.0767m/z",335.0767039,2.303066667,"neg",11.99982662,7.811229754,11.74476641,13.75206647,5.953020444,7.007870483,13.47475851,11.13724676,14.71913057,8.953150556,15.95361276,19.85698074,11.35730358,9.847851815,16.82285147,17.72150266,38.00781437,19.42983126,19.5223705,17.08382668,16.80271882,41.3054925,19.48434608,17.93501416,19.28365012,20.47760422,21.16618229,19.36860786,20.46403873,21.7428741,21.1157775,23.06542049,"HMDB0029287","M-H","C16H16O8",45.3,-1.598313602,"3-Caffeoyl-1,5-quinolactone"]
["8.17_473.2528m/z",473.2528347,8.173533333,"pos",2021.816194,2429.494372,1953.489971,2180.704548,1691.163478,2185.500398,1868.12698,1953.165268,2630.700801,2078.848663,1821.65454,2415.069585,2232.953986,2006.178471,1769.781706,2443.907468,2129.977891,1841.258556,1730.72379,2456.1272,2201.241804,2120.359483,1763.240624,1701.756127,2173.254237,2098.400827,2109.672521,2194.920462,2245.626739,2260.966948,2120.944266,2071.455101,"HMDB0035700","M+H-H2O","C27H38O8",45.3,-1.112148123,"Lucidenic acid J"]
["9.60_323.2221m/z",323.2221111,9.597533333,"neg",230.4686229,183.4471731,149.1358822,213.1424307,253.1622244,180.3732003,154.5490835,226.2809665,155.5771341,237.7339386,275.7506426,327.302688,289.4395398,239.3667845,287.3529587,314.9665917,352.7552239,330.4128969,375.3842915,398.2215521,223.0264437,353.9445144,340.1128722,365.3570699,253.7600017,253.8853525,247.6303921,256.5602495,254.0547157,261.7242599,264.2588556,265.9546205,"HMDB0040901","M-H2O-H","C19H34O5",45.3,-1.963467921,"13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid"]
["9.30_678.3803n",723.3799246,9.30255,"neg",2151.299487,5280.863977,5557.464191,5189.334385,4434.457882,5494.782698,5413.354695,5010.733089,4289.528953,4048.833256,2878.982829,2615.6049,3668.821034,4152.460144,2953.111201,2708.305556,5220.338859,3203.340108,4749.159105,3943.421219,6335.378073,5060.287735,3306.067068,4918.366195,3068.526763,3024.319378,3039.19986,2956.35834,3016.940757,3023.921851,2980.792584,3064.651471,"HMDB0041094","M-H, M+FA-H","C33H58O14",45.3,-3.541888433,"Gingerglycolipid B"]
["10.22_467.3007n",468.3079447,10.221,"pos",33.45641757,81.74822891,45.74651437,30.01814738,31.15613422,79.18727155,52.56870199,29.73622117,74.60505164,85.18498099,51.14088978,35.45155697,69.12234768,79.70032124,48.96399258,34.53764019,198.9450524,90.28578292,78.55428613,93.60764269,203.6713081,186.0572846,88.5570063,90.22805959,70.76209649,72.19158058,68.1631661,75.46292534,79.77918093,82.27733476,73.3123605,82.52910724,"HMDB0061691","M+H, M+Na","C22H46NO7P",45.3,-1.115277561,"1-Heptadecanoylglycerophosphoethanolamine"]
["0.73_393.0437m/z",393.0436604,0.732483333,"neg",79.54160718,117.3933756,248.3188031,88.14604915,127.9677106,109.0432864,245.5439477,90.56061997,111.9701927,112.2303534,120.1002348,123.3407511,124.6061553,109.2513511,149.7581372,104.6654222,121.8225705,100.3818485,178.4863867,92.93998985,208.3732981,127.800008,130.5556779,156.0599365,121.6557021,136.5001447,113.2727302,113.0595728,122.3230429,138.311481,142.0577925,127.774795,"HMDB0012152","M+FA-H","C9H17O12P",45.2,-0.876556728,"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate"]
["12.84_832.5312m/z",832.5312333,12.8392,"neg",22.10792914,20.21925687,10.01755409,25.5381358,18.55905931,20.15663894,6.072456188,24.20640403,13.14957233,22.49787761,24.73810921,14.99152555,11.53620372,29.27591001,17.20465839,12.81991148,39.41029262,28.23255484,26.11809798,17.90139081,23.84807276,38.66324564,22.36340006,23.11378533,26.30490106,21.19903583,23.36256739,24.05641252,21.6308156,21.24699061,19.54689904,21.20616809,"HMDB0012380","M+FA-H","C42H78NO10P",45.2,-4.19526507,"PS(18:0/18:2(9Z,12Z))"]
["0.91_262.0804n",243.0625221,0.91365,"neg",162.2835523,112.5517842,107.4070092,130.6969584,98.6202963,111.9905208,95.05174463,117.1363729,141.2810264,69.88349592,133.7960564,168.2947979,152.6604086,71.98148705,137.1377879,168.8919157,83.14129594,144.5161809,95.69928222,135.1579973,81.4953732,96.98327662,160.5531037,89.41111602,124.863397,118.5803621,115.000013,123.043417,117.7146685,139.0962539,119.5230604,125.7009826,"HMDB0030413","M-H2O-H, M-H","C9H14N2O7",45.2,1.001338141,"Na-L-Glutamyl-L-aspartic acid"]
["3.77_207.0667m/z",207.0666823,3.768333333,"neg",5.826395279,3.347470573,11.52940656,8.404215577,9.255845132,3.918858962,10.97398053,8.362245798,6.380969444,7.559367204,5.652987824,10.94439285,9.580245577,6.739944153,6.203058401,13.16203196,10.5860153,11.68013182,7.352154565,8.645059759,13.18911592,12.83928891,11.95502411,9.816913772,6.07827551,6.487558808,5.178109085,7.319606401,6.772446118,8.459434523,9.026132947,7.329323315,"HMDB0032611","M+FA-H","C10H10O2",45.2,2.467556788,"3-(4-Methoxyphenyl)-2-propenal"]
["2.95_381.1760m/z",381.1759991,2.9517,"neg",0,0.677178882,0.537169742,1.010627419,2.700710489,0.187342447,0,0.337127458,2.309251152,4.168551806,6.730700695,3.122246204,3.291015336,4.750775013,4.691327028,2.777904971,10.97529181,41.35902089,12.43497083,25.44944967,7.10489192,9.215053012,36.98397051,14.43081532,4.197347453,2.391771983,3.3223407,6.0246686,5.2875091,3.930959315,3.960984879,2.980660176,"HMDB0033237","M-H","C16H30O10",45.2,-1.626592676,"1,2,10-Trihydroxydihydro-trans-linalyl oxide 7-O-beta-D-glucopyranoside"]
["12.83_581.3676m/z",581.3675728,12.82853333,"neg",1.910469392,0,0.423630175,0.300971571,1.402793624,0,0,0,0.959037443,2.031252853,1.826187389,1.720724543,0,0.638481365,0,2.475393426,1.491186265,2.402404718,0.790024648,1.812221088,1.077658186,0.576405024,1.825902315,1.35654221,13.00635219,13.47594984,15.26011953,11.19809559,11.18859619,13.42321783,12.55443289,11.24770083,"HMDB0033635","M+FA-H","C31H52O7",45.2,-3.605909978,"Cyclotricuspidogenin C"]
["2.89_193.0492m/z",193.0492439,2.889816667,"pos",65.20018632,48.91984702,23.42678217,59.74397844,24.26266987,64.97550524,31.27244008,40.19940846,49.06474577,8.800915106,18.04947406,26.33401239,41.41116921,10.12563366,18.54472913,26.89807364,27.91640754,17.65304008,10.69534598,24.1782319,15.87944091,29.13244351,14.27983572,16.34989333,30.57966997,24.70570142,22.38063218,22.53270863,23.56217205,24.28103991,25.84988188,26.1934819,"HMDB0034344","M+H","C10H8O4",45.2,-1.516829107,"Scopoletin"]
["12.39_583.3985m/z",583.3985319,12.3929,"neg",30.49009826,30.18578776,21.60024649,41.95837494,17.11963757,27.86179823,21.00731076,36.64676316,34.79979538,57.95379965,38.38399577,33.98286742,44.85360474,48.89499174,41.16080911,29.68616637,38.84389327,36.37057089,30.13130388,29.00462712,32.16234649,31.02196163,32.67157245,28.71532425,29.19649942,30.96880062,33.01226401,27.35887667,32.58764644,29.9489219,26.86766811,29.20382217,"HMDB0038035","2M-H","C18H28O3",45.2,-3.218998012,"Panaquinquecol 1"]
["3.91_271.1189m/z",271.1188699,3.905816667,"neg",571.7297445,267.2120049,235.8719554,444.0394268,308.8015854,274.1055946,236.765494,451.7490354,212.6274092,376.5913032,305.1936224,264.5210366,270.2929847,395.5110631,315.6815733,273.8305507,60.06581667,59.4742465,169.6993443,108.981781,52.77364204,57.87136138,56.52670657,174.8182158,251.3113076,240.8764803,243.3185717,255.211476,241.6228102,257.0779437,259.9886871,253.5472037,"HMDB0040705","M+FA-H","C12H18O4",45.2,0.698646292,"Allixin"]
["8.03_161.0958m/z",161.0957753,8.027783333,"pos",29.46304686,20.19570514,42.73137458,42.77509413,20.95292941,21.36557448,51.46457463,45.70698806,45.01669783,44.49115968,20.56109951,30.25901382,48.63736733,44.30870367,20.55759518,32.16759229,30.37147102,33.9151231,33.37576558,47.194481,46.20263358,34.77875655,41.70272915,35.79916725,40.47276799,38.19461825,35.48455628,44.52025101,42.36044906,46.97511151,41.42672521,39.06499073,"HMDB0040800","M+H-H2O","C11H14O2",45.2,-1.774986714,"2-Ethoxy-5-(1-propenyl)phenol"]
["8.06_346.2581m/z",346.2580926,8.059233333,"pos",244.8685837,340.4813287,233.0315748,262.2412462,263.4483325,322.2137769,221.8345298,252.7488616,238.6252073,249.281388,235.6965417,260.8950762,190.3165306,258.1175521,229.0394019,279.391656,217.5789904,172.2533723,171.4037111,159.7742375,187.1930309,206.5963351,159.7717187,162.535958,245.911851,246.5719959,224.9616842,225.2216497,251.449779,248.2863513,238.7356555,232.9816429,"LMFA02000021","M+NH4","C18H32O5",45.2,-2.15426318,"9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid"]
["13.93_824.5422m/z",824.5421669,13.92615,"neg",636.0484575,231.0418839,84.79411694,47.83765524,65.04272853,197.0014036,73.07061165,49.97159439,394.3325127,59.69777635,265.5873893,129.2890982,100.2464358,67.30069309,266.6358968,121.8936055,248.1396151,255.4563994,119.3933165,268.9886308,98.70937453,251.2836384,227.9551684,127.3822637,202.2223271,199.3262683,200.3020238,209.7752842,212.0622606,180.307208,212.4916681,205.1149337,"LMGP02010589","M+FA-H","C44H78NO8P",45.2,-3.259728343,"PE(17:1(9Z)/22:4(7Z,10Z,13Z,16Z))"]
["3.19_217.1085m/z",217.1085428,3.189366667,"neg",383.6730863,219.2010164,227.4006942,314.523896,239.4534965,224.1406957,231.894007,336.9952052,210.5160765,277.3562448,234.2043075,305.9649033,231.9046042,275.9689002,248.7002881,295.7831575,159.6886278,251.11515,230.1618537,183.5791039,148.4571046,158.638307,237.3749976,244.7575108,233.2915542,230.6367171,240.1901402,234.1960227,235.7829046,257.0806765,259.4657021,261.5905007,"HMDB0000350","M-H","C10H18O5",45.1,1.81351986,"3-Hydroxysebacic acid"]
["1.74_162.0564m/z",162.0564277,1.739766667,"neg",70.797435,74.29954444,79.21332872,72.18105249,71.03614832,65.30324546,93.00097626,76.62263774,69.99139168,68.37663842,72.54421494,70.9314089,77.84982603,73.01430099,79.25925168,79.13087889,81.80176675,86.35696212,69.60180187,83.8501741,68.99632584,83.00769039,71.37881524,74.22500103,73.6274935,79.9991356,75.21132388,79.24884386,72.69888361,81.94169856,68.5509496,68.33530726,"HMDB0001424","M-H","C9H9NO2",45.1,2.303677024,"4-(3-Pyridyl)-3-butenoic acid"]
["3.60_231.1243m/z",231.124264,3.596183333,"neg",7.777715518,9.366299871,8.283157688,8.879699133,8.178795604,7.97724081,7.89632597,11.47875437,3.713036664,4.699125393,4.336006131,4.07716695,4.872153664,4.441712507,5.065824813,2.907376041,2.648859365,0.496938786,2.251949397,0,1.467001615,0.587254712,0.716420671,1.113199571,3.510327416,3.921864617,4.140153766,3.98594329,5.439787628,4.585078477,4.054335229,6.490298689,"HMDB0010724","M+FA-H","C10H18O3",45.1,2.507589299,"3-Oxodecanoic acid"]
["0.92_293.0881m/z",293.0880547,0.924483333,"neg",38.13674069,25.60942923,30.43716161,34.95494199,22.6649012,23.83889192,25.5630215,31.35762307,35.03241129,33.07191598,23.58931481,28.17002322,25.00894805,35.0150446,23.46790576,36.70192051,24.93416898,42.79520532,34.96790106,33.02304029,31.70148461,30.46239155,44.45910344,26.67040647,30.06511928,29.87388754,27.39631616,25.87128062,28.14217694,27.43906011,32.22586347,33.56908893,"HMDB0011677","M-H2O-H","C11H20O10",45.1,0.797857868,"Galactose-beta-1,4-xylose"]
["6.13_481.2193m/z",481.2193243,6.12755,"neg",166.9436958,126.5193709,96.33664438,159.1901495,127.681182,115.7190334,100.2403304,152.9452446,88.84759957,89.80164706,109.1046109,124.2419364,83.2457118,92.87220137,122.5302463,119.2441946,57.55328996,78.25484093,77.70831464,73.42587899,48.40197711,51.70388351,74.883108,82.49274366,95.45104359,91.3886332,89.55169343,94.15018667,99.14091042,98.42768807,92.39443002,93.44583643,"HMDB0014432","M-H2O-H","C26H35F3O6",45.1,-2.814902774,"Travoprost"]
["6.14_225.1134m/z",225.113415,6.138716667,"neg",7.905504212,8.489682911,7.826723758,8.758726032,10.25518808,9.714642283,7.358391925,7.428824918,6.617625181,7.26050602,9.710106769,7.912360265,7.141054347,8.602564921,8.944520357,9.036715646,3.122465105,3.745102435,6.750154751,5.310550571,4.353936814,5.925366762,5.50506419,5.376814152,5.416370669,7.426950625,7.717597552,7.471500148,6.492340118,6.529296874,9.087918698,7.236106366,"HMDB0030007","M+FA-H","C11H16O2",45.1,1.012435044,"2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene"]
["2.12_235.0647m/z",235.0646525,2.118083333,"neg",81.39004387,72.76875499,288.3783726,221.3271602,92.93963399,72.47635086,291.8058525,214.9954465,27.61976484,69.34779669,25.01334421,81.40453723,117.0892901,74.32228054,26.3215315,82.3898272,184.6800472,66.71270178,112.9906025,50.39721444,149.7431289,184.8232664,65.32041684,113.3761011,91.56985897,93.84287781,91.24010734,92.93913094,97.39866546,100.9118785,100.9781014,103.7274038,"HMDB0032259","M+FA-H","C8H14O3S",45.1,0.443421503,"Ethyl 4-(acetylthio)butyrate"]
["8.38_386.2655n",385.2581816,8.382933333,"neg",3.033724053,12.54363743,8.60751035,6.568879547,20.00052097,13.08688144,13.96570452,5.080103897,14.21390317,17.56546073,15.47920282,14.9307307,17.57558408,17.83478359,16.18067796,14.10408215,39.15467721,6.850816416,15.41364789,5.688955784,27.34471109,33.48117085,9.639012597,13.4172576,22.06790699,21.85058053,23.86965888,21.15213223,21.5265022,23.1664329,22.92341083,24.65953251,"HMDB0036015","M-H, M+FA-H","C21H38O6",45.1,-3.574913929,"Mangalkanyl glucoside"]
["8.53_387.2742m/z",387.2741966,8.527066667,"pos",2.287485476,5.010832006,2.524916756,2.614637116,6.46345949,4.287161049,2.79534916,1.497546587,2.855461811,3.971658385,7.246482438,6.186544388,6.680955067,4.137034472,5.830187942,6.853745714,6.914910483,3.358769217,4.79938737,4.045190805,6.240101632,5.288484946,4.096690559,3.572053837,4.653880801,4.289070266,4.189235479,5.076336242,5.223777116,4.058590111,7.602446879,5.528716371,"HMDB0036015","M+H","C21H38O6",45.1,0.210330349,"Mangalkanyl glucoside"]
["8.23_455.2424m/z",455.2423509,8.234683333,"pos",1724.504599,2077.303119,1750.807767,1941.040658,1530.866441,1960.478214,1638.71927,1718.246935,2181.769868,1753.958083,1660.86421,2116.793996,1945.906467,1712.266518,1565.560594,2169.071559,1924.674763,1579.137337,1474.90682,2033.857645,1915.193413,1821.317582,1487.809667,1424.937865,1912.715982,1855.222765,1810.613321,1845.600187,1933.085881,1966.641737,1767.571205,1807.952842,"HMDB0039597","M+Na","C25H36O6",45.1,4.491235366,"Colupdox a"]
["6.01_371.2066m/z",371.2065509,6.008883333,"neg",174.5755672,89.97754435,77.2614385,137.6330805,120.0658637,92.53305125,79.38720591,142.9915628,85.64268373,141.4391351,119.7843485,151.1914305,90.34119236,144.2176961,128.6085239,157.766425,41.89900239,90.22969091,98.73987991,65.49172717,42.47894124,45.01416856,90.13757847,98.24531581,93.27878013,93.14852348,94.6288592,99.86717617,104.4988168,110.4651281,112.820455,114.8992049,"HMDB0041176","M-H2O-H","C19H34O8",45.1,-2.501272342,"(3S,5R,6S,7E,9x)-7-Megastigmene-3,6,9-triol 9-glucoside"]
["5.86_540.2574m/z",540.2573865,5.857566667,"neg",221.8624291,169.5823354,120.9772116,188.7842144,195.7124433,170.1149069,120.1076412,197.7378106,144.7091341,106.4302942,178.9931339,180.0763272,92.26375226,109.5786269,190.9488618,174.2357263,38.54142456,47.59582869,55.84640368,57.24815042,56.79581418,36.21203342,54.02397472,55.80808657,124.0524452,120.4588724,116.3462721,130.4901221,128.634639,135.7770964,124.1527315,114.7547541,"LMGP03050010","M+FA-H","C22H42NO9P",45.1,-1.080176017,"PS(16:1(9Z)/0:0)"]
["0.65_129.0421n",130.0494175,0.6461,"pos",1516.546302,2824.10668,3836.017155,2274.481921,2261.305198,2813.451805,3477.770643,2123.608897,2359.086939,1324.737191,1398.308931,1359.005847,2557.792203,1379.713126,1510.461988,1306.929145,2309.568803,2382.698614,2239.33438,2250.704095,3977.091689,2210.489809,2272.551831,2220.829365,2124.245142,2147.336755,2130.92818,2077.160237,2311.695097,2421.783508,2340.527248,2362.089386,"HMDB0000267","M+H, M+NH4","C5H7NO3",45,-3.502807097,"Pyroglutamic acid"]
["8.03_182.0576n",165.0543616,8.027783333,"pos",23.19303529,16.25705492,33.94133839,32.83537014,15.7223341,17.42990522,38.34894542,35.4506355,35.0319184,36.15911482,16.19276277,24.66700802,36.80834082,36.38022472,17.33930107,26.80280239,25.90826729,29.33803145,29.14963488,41.11801172,33.80149662,26.51951462,30.81711109,26.68666534,31.64863457,32.44334228,28.55057526,31.3091012,31.81087795,36.35784662,29.43331215,31.34890875,"HMDB0002643","M+H-H2O, M+H","C9H10O4",45,-1.422080717,"3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid"]
["10.59_326.2455n",309.2421636,10.58676667,"pos",4380.464919,2836.494383,2248.424325,2999.757055,3656.511239,2748.892785,2115.502181,2891.556016,2144.446123,1805.015683,3059.553708,3261.319766,2321.69452,1774.805377,3002.78367,3283.05194,1094.55326,1444.053432,1809.952029,1359.293628,1227.952799,1014.405469,1358.978434,1724.243258,2762.297084,2743.308561,2692.300836,2737.243204,2782.422861,2768.265848,2541.681766,2610.595062,"HMDB0031006","M+H-H2O, M+H, M+NH4, M+K, 2M+Na","C19H34O4",45,-0.789813636,"1-Acetoxy-2-hydroxy-16-heptadecen-4-one"]
["9.64_257.1900m/z",257.1900181,9.639316667,"pos",7.086502461,3.279073405,2.69990836,4.519099691,3.873930521,3.322044338,2.519488203,4.930414376,1.084829327,2.366926746,4.004649979,3.198872301,3.119316547,3.436594385,3.792921882,5.094867223,0.771457664,3.083658279,2.584223322,2.447316243,3.123125849,1.945291344,2.337857312,2.268900622,3.555840943,3.099291876,2.772662011,2.766711074,4.374898035,3.622120966,2.911036035,2.96436632,"HMDB0035963","M+H-H2O","C18H26O2",45,0.095849016,"(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid"]
["11.63_264.2452n",282.2788459,11.63311667,"pos",5297.048712,4059.883176,5368.104566,3452.271889,2948.650223,3861.675973,5061.612405,4851.101498,2670.270254,3033.870799,2682.80283,3991.450235,2166.357374,2812.568081,2670.095586,4102.961349,5076.654236,3460.24069,3128.776072,2938.377378,3932.048845,4820.659691,3364.898823,2951.003083,6685.544958,6876.830773,6891.206781,7240.617793,8081.3106,8239.046192,7539.566651,7942.98863,"HMDB0037543","M+H, M+NH4, M+H-H2O","C18H32O",45,-0.496632207,"(卤)-(Z)-2-(5-Tetradecenyl)cyclobutanone"]
["18.71_178.1225m/z",178.122546,18.71351667,"pos",169.7291266,109.3619211,176.9711026,132.1339917,139.7613288,101.029222,157.1507375,131.6409956,137.2608774,105.2037692,105.9257253,131.5608288,160.2522071,149.2346545,154.7219617,143.9278004,143.5917441,226.8353376,179.4420881,161.232751,192.3655567,182.2222799,215.3934148,179.2628883,88.78817374,125.2315481,131.2206159,68.12236776,93.72606229,132.2345166,156.8038164,133.2406477,"HMDB0041923","M+H","C11H15NO",45,-0.534002939,"Mephedrone"]
["7.73_580.3241m/z",580.3240745,7.7253,"neg",37.56468213,63.43395577,44.69290896,50.76005719,64.91610678,64.96685204,45.70639841,50.31517746,56.53936899,83.0547365,46.79424353,57.28151955,59.25107173,82.75582774,45.82322161,51.50054466,80.11742732,54.92815138,65.33547347,71.17213166,100.9649168,85.27672482,52.29350192,67.10291357,56.08947571,55.03082098,56.74441149,54.88978563,56.58909238,62.07995798,56.82395989,57.83365323,"LMGP01010693","M+FA-H","C26H50NO8P",45,-2.862937435,"PC(16:1(9Z)/2:0)"]
["6.81_552.2568m/z",552.2568342,6.81485,"neg",23.00784483,59.81652182,60.95711958,32.76678357,99.38658328,55.1699613,49.14412346,40.14423706,39.59111025,50.41088243,75.97502554,56.50049595,45.17443296,62.07129671,85.78781241,51.22003367,52.26610776,34.40815166,42.92372854,31.12293914,47.34416706,49.10553189,38.43046167,40.44848583,70.78494895,56.19110139,74.33943336,61.52224047,61.32221021,63.37540585,64.16423612,67.88470226,"LMGP03050016","M+FA-H","C23H42NO9P",45,-2.143417391,"PS(17:2(9Z,12Z)/0:0)"]
["1.87_383.0970m/z",383.0970477,1.873183333,"pos",13.51570115,9.390674844,23.10542333,24.84032992,9.701231904,9.546619974,21.27506452,22.98915009,22.93096295,14.38545595,21.65394374,30.16617972,18.98579896,15.0641675,21.74181749,27.1375193,37.85313539,26.68900745,33.39994566,22.77282056,32.59264645,38.91441028,24.53058497,32.64204397,23.10570009,23.90450109,22.25389356,21.82688337,21.73069758,22.34640345,23.91453302,21.41329086,"HMDB0003269","2M+Na","C8H8N2O3",44.9,2.340428356,"Nicotinuric acid"]
["2.84_547.2005m/z",547.2005251,2.843216667,"neg",45.82725651,56.08286358,50.06826914,43.75996795,45.08670258,56.13634966,44.34705596,46.78235819,31.37027004,34.50140047,30.17889968,23.97535869,32.84669886,34.67459997,26.01184652,20.65034521,10.51135556,7.257967274,11.96536703,10.5288488,7.694952574,10.71815147,6.939752479,15.67926051,23.49530392,26.85867959,22.53915707,23.77432106,25.7203348,21.01299817,25.23597594,23.55192187,"HMDB0028796","2M-H","C10H16N3O6-",44.9,-0.034601414,"Glutaminyl-Glutamate"]
["2.06_681.1650m/z",681.1649585,2.062483333,"pos",22.00514499,0,2.697539437,2.819388081,1.029173373,0,2.267747093,3.901197836,0,2.008022856,0,0,16.01550288,1.477079814,0,0,20.53557499,20.44022404,22.80016783,37.90206911,1.99469704,19.66039649,22.52227614,23.5340478,4.061472513,7.28010335,7.179224603,5.763877487,7.195140637,7.103360926,7.642748668,6.333047117,"HMDB0029395","2M+K","C11H19N3O6S",44.9,4.496623061,"L-L-Homoglutathione"]
["2.63_337.0923m/z",337.0923163,2.62755,"neg",8.758467368,4.261618653,14.40094325,14.5294788,7.008437441,6.186406564,14.41020566,11.2461197,31.63477956,9.848942706,21.16992499,18.54462502,14.69999442,10.04889654,20.27186045,22.28605943,24.64084571,28.86433166,19.01438376,23.68845848,16.87247245,23.57287673,30.43287792,18.51455697,22.68559322,23.35484313,22.40797033,21.35240826,22.67294312,23.39185595,25.00023824,29.71761635,"HMDB0040866","M-H2O-H","C16H20O9",44.9,-1.61417248,"1-O-2'-Hydroxy-4'-methoxycinnamoyl-b-D-glucose"]
["3.88_373.2222m/z",373.2221702,3.877033333,"pos",10.68142187,10.06428767,12.30350133,13.40546154,8.525674073,10.82196708,13.05105293,11.62131763,23.20804839,19.99708686,13.14450532,14.20072832,14.81924277,21.08239202,11.51852287,15.76690265,13.58686329,15.1744827,11.52855721,12.32004206,13.76002763,14.09071065,15.59709916,11.78809077,15.50711073,16.90413573,15.4327648,15.1346511,18.42479601,16.44620243,16.21086071,15.67803694,"HMDB0041176","M+H-H2O","C19H34O8",44.9,0.231560488,"(3S,5R,6S,7E,9x)-7-Megastigmene-3,6,9-triol 9-glucoside"]
["9.63_520.2667m/z",520.2666841,9.6292,"neg",817.3304689,2212.843813,1958.516131,1599.963263,2681.587111,2171.692374,2026.16674,1534.334134,2169.15477,1963.251103,1907.332665,2103.629555,1886.053232,2003.964153,1889.335963,2109.349304,3200.653008,2041.770748,2845.176569,2121.858512,3213.056709,3299.447722,2188.642533,2870.016499,1989.297153,2013.344949,1930.392071,2007.422926,1969.327201,2035.444604,2072.104872,2084.072045,"HMDB0061694","M-H","C24H44NO9P-2",44.9,-2.701235397,"1-Oleoylglycerophosphoserine"]
["8.89_257.1899m/z",257.1899346,8.894466667,"pos",20.27870068,25.90714706,38.53624718,23.4990912,12.87126745,34.0622911,28.49483583,31.03032682,36.13647734,27.74095016,31.96576119,28.81086227,60.29252981,33.1604464,28.5777103,27.59354189,35.97159967,28.39226556,28.04787615,25.07412502,44.82801876,31.25714033,25.31991599,23.33169158,28.08959135,26.89575692,28.79534814,35.92450318,23.16550206,28.48768367,31.1836372,27.88302512,"LMFA01030359","M+H-H2O","C18H26O2",44.9,-0.208642014,"3,6,9,12,15-octadecapentaenoic acid"]
["9.63_387.2744m/z",387.2744412,9.6292,"neg",5.71619291,7.828435392,2.271204391,4.536428518,3.73527212,5.803633287,2.08075958,2.878739486,6.138915804,7.698445699,7.559655745,8.73437446,5.028379628,6.802882263,7.18002878,7.625066301,17.42872471,5.307394395,5.01915835,17.84267078,7.355388303,14.60381431,9.00387433,5.554872877,51.65110486,54.35246658,50.28657063,55.11316065,50.24374001,53.95918662,55.90180468,55.84919044,"LMFA03010173","M+FA-H","C20H38O4",44.9,-2.253600839,"PGF1a alcohol"]
["9.98_372.2511n",395.2403329,9.977566667,"pos",1098.723497,1490.776514,1231.447379,1258.124585,2143.402985,1464.706255,1316.365517,1151.318107,666.514432,1269.721114,3300.005005,3735.662709,2725.0499,1334.537983,2811.614814,3589.321278,1587.425326,1412.131119,2329.531993,1312.089322,1613.517322,1432.37272,1354.422734,2461.286122,2029.500686,1976.32152,1918.289256,1906.084401,1975.335559,2049.440627,1841.173601,1802.78258,"LMFA03030008","M+Na, M+K, 2M+Na, M+H, M+H-H2O","C20H36O6",44.9,-0.20584183,"TXB1"]
["6.34_269.0124m/z",269.0123759,6.343033333,"neg",26.26816373,5.07315792,5.110123848,17.81873685,22.64363905,6.895461114,7.463280688,20.18490369,10.95743166,13.34287089,16.35019493,14.58917407,9.358966339,16.86256576,13.06901086,17.39893845,2.432085764,6.71960294,9.919764776,10.00101452,5.342249164,1.955243375,6.479270737,7.93031916,11.86861663,12.38190638,12.65947392,13.95425289,11.03239431,12.08158504,10.8648708,9.843200189,"HMDB0029191","M-H2O-H","C11H12O7S",44.8,-0.544007293,"5'-(3',4'-Dihydroxyphenyl)-gamma-valerolactone sulfate"]
["3.41_550.2031n",595.2027539,3.41335,"neg",21.00878105,19.62671853,40.46058214,31.01333743,28.45961143,18.68342603,44.12444531,32.48819555,13.23491913,14.6489378,33.26871667,36.37892165,34.64255712,12.74155003,37.12918834,37.66227515,33.11692532,30.50513494,41.31233431,25.10362665,42.28994839,30.22407417,31.12118673,43.36711821,27.08078623,27.99443868,23.21160787,26.35342561,22.83755331,24.49886295,24.18836289,19.94707995,"HMDB0030557","M-H, M+FA-H","C27H34O12",44.8,-3.461944468,"Tracheloside"]
["9.48_338.2086n",361.1983913,9.478266667,"pos",274.5053432,146.913594,171.3702534,203.6266181,220.5666274,153.9172338,178.0640045,177.9275749,75.14504741,144.0246903,230.3649282,155.9936818,142.0814992,133.419263,181.9109739,159.1501172,68.68956445,93.27264436,125.5702796,97.24421137,66.84806035,59.10986565,104.2623967,133.0961122,161.919928,194.0989452,145.9763564,182.2775178,163.3118672,187.0319332,155.8345096,173.2748985,"HMDB0038720","M+H-H2O, M+Na","C19H30O5",44.8,-2.091678209,"Dodecyl gallate"]
["1.68_413.1414m/z",413.1414288,1.678583333,"pos",11.900749,13.4729476,21.68951586,15.01902864,14.57297105,13.36918493,20.63553523,13.40635913,15.12335105,15.17313474,10.48164967,9.806119457,17.74088536,13.24285905,11.42513908,10.36815851,13.6929122,17.06714482,17.26660282,13.40031422,20.38379685,14.28838056,15.96790059,16.27952819,12.88077261,13.39967458,11.25680801,13.1959904,11.75758443,12.59863491,12.13238626,10.84633228,"HMDB0041623","M+H","C15H20N6O8",44.8,-0.265057135,"N6-Carbamoyl-L-threonyladenosine"]
["6.36_469.1661m/z",469.1661168,6.3642,"neg",13.46612074,4.59677782,2.919912417,10.64117469,2.444489904,7.8053917,3.050776833,9.96178566,2.892763274,2.708157496,3.047368021,22.35563361,3.080083894,3.082877696,3.558918459,20.30293368,4.758203199,27.39121796,1.630290268,18.68049992,1.825612484,5.616284284,20.87734932,2.845922624,7.115049537,3.911302684,3.563938516,6.733783438,6.227025997,5.842421692,5.1562251,3.04260001,"HMDB0062702","M+FA-H","C16H28N2O11",44.8,-3.290698118,"N,N'-diacetylchitobiose"]
["1.02_225.0617m/z",225.0617292,1.021466667,"neg",14.49326015,13.8123994,25.20839542,15.9768675,19.23193804,14.21664881,23.02243037,15.89665675,31.27439385,20.92554604,25.59326516,19.4425661,34.27092746,24.86838077,25.87148229,29.84298149,27.0656337,29.37866188,28.08676135,36.58222738,39.08400458,22.72757069,39.87882395,29.62790928,22.34868361,23.202802,18.6996626,22.8737725,24.83536679,22.40119121,27.69416429,29.36427143,"HMDB0000211","M+FA-H","C6H12O6",44.7,0.767415889,"Myoinositol"]
["9.41_519.3318n",520.3391083,9.413216667,"pos",11720.92086,17875.58027,10607.31785,11958.64258,10455.88464,16594.12615,10824.21901,10863.27193,26741.56516,14298.92603,11596.2291,12723.0211,13041.81631,13374.61736,10730.02491,13263.77302,28542.1932,16978.87444,17997.28227,19693.87062,28586.21788,27670.54163,16970.22967,17043.16944,16081.81716,15235.20061,14860.85252,15688.9764,15049.38122,15539.71149,14481.11472,14514.93007,"HMDB0010386","M+H, M+Na, M+K","C26H50NO7P",44.7,-1.266373963,"LysoPC(18:2(9Z,12Z))"]
["10.37_352.2844m/z",352.2844056,10.37353333,"pos",686.1369862,483.5079188,609.6506356,623.6838783,439.2155532,508.1456578,565.9888798,589.1666021,437.5901749,529.5752293,532.3518016,557.2660052,646.5381781,505.6164396,521.5342719,540.5261753,318.660627,439.2941309,457.6552471,471.5954871,441.4307258,314.5857321,434.3876656,451.0864971,565.6463406,547.862474,536.2158801,582.3599857,556.0567147,580.0660538,537.1889004,540.5796738,"HMDB0029583","M+NH4","C21H34O3",44.7,-0.642802238,"Lycopersiconol"]
["5.75_133.1008m/z",133.1007612,5.750433333,"pos",3.140501422,3.729088354,3.946485417,2.515130027,4.920393043,5.203193009,4.81148662,3.522978869,1.047073666,3.397611872,4.090602561,2.855262194,4.29751086,3.826257461,5.817746636,4.377224262,2.463893196,1.788211033,2.035804523,2.909789449,2.132604474,3.73969139,4.081895703,2.724360745,3.503790949,3.420024443,2.516027175,5.127405911,2.828063895,4.295949455,2.849687742,3.567357585,"HMDB0032213","M+H-H2O","C10H14O",44.7,-2.768624819,"2-trans-4-trans-7-cis-Decatrienal"]
["9.02_953.4775m/z",953.4775165,9.0154,"neg",76.19732353,20.30634032,12.56308936,15.10368781,20.19600242,16.39253412,12.82839048,19.69647635,38.43373352,7.957331715,10.65426381,87.86855602,11.33360085,9.908892325,13.2922873,79.25535759,8.444248048,49.5653363,20.01744281,33.37311993,3.832635919,8.225879945,53.60313332,19.49549007,16.972222,15.25252881,15.31520078,16.12291224,15.38200497,15.74227582,10.66389707,13.88866996,"HMDB0033580","M-H2O-H","C48H76O20",44.7,2.429573489,"28-Glucosylarjunolate 3-[rhamnosyl-(1->3)-glucuronide]"]
["9.72_275.1623m/z",275.1622763,9.722016667,"pos",6.571158049,4.986582852,5.560022776,4.745162203,9.783643492,5.478150586,5.219623732,3.722331605,6.300370193,3.570229608,9.105025134,3.881491492,6.509313758,3.158176924,9.297443584,4.133807823,0.930218998,0.962759248,2.235072187,2.581177322,2.763992891,1.644768178,0.517172065,2.652982186,6.709652538,5.236552217,6.48673518,5.082001755,4.465208108,4.688076432,3.276033575,5.128477009,"HMDB0035767","M+Na","C15H24O3",44.7,2.026403691,"Piperalol"]
["5.47_756.4287n",739.4254025,5.469583333,"pos",4598.875204,5538.164257,7944.531093,6409.160101,6115.153493,5292.648881,7183.606568,6172.274842,6246.487635,3646.091625,3237.186049,3967.607315,6233.711216,3536.222739,2997.744506,3779.674496,4886.032425,4803.065779,4992.146626,5060.378676,4262.736184,4894.864581,4633.875637,4985.480623,3832.881969,3800.247624,3473.809662,4057.032971,3845.501191,3789.358303,3775.964391,3603.792976,"HMDB0036244","M+H-H2O, M+Na","C39H64O14",44.7,-1.210965013,"Schidigerasaponin F2"]
["5.83_563.2116m/z",563.2115554,5.825516667,"pos",3.446288301,3.026262939,1.724801039,3.091636339,3.677418158,3.348793473,3.140762503,3.341752235,2.09032802,3.941969322,4.350893313,3.434508265,3.124695934,3.068671792,5.435792541,3.182318336,3.651253576,5.375265228,2.798523968,6.408534624,4.273437266,2.93171766,4.273816755,3.852776851,2.938306697,3.750962435,2.343324745,2.946077029,4.157405707,3.249168302,2.751527001,3.886838014,"HMDB0038883","M+Na","C26H36O12",44.7,3.069290816,"Sambacin"]
["1.74_200.0303m/z",200.0302593,1.739766667,"neg",820.1833051,727.8106977,877.81284,742.2015787,720.7847344,731.0203222,880.6019066,754.6230228,706.2478411,702.6024046,761.311753,766.7539932,870.1388609,732.4261034,825.9159373,762.5365281,858.1955624,844.0105822,734.4657279,887.2287458,731.4182405,856.6739543,823.5380223,750.0041772,776.2458852,808.2363081,785.9985168,791.5419606,795.0605546,815.0742372,799.5863886,794.782617,"HMDB0039164","M-H2O-H","C6H9N3O6",44.7,-4.723165154,"L-Oxalylalbizziine"]
["14.14_819.5234m/z",819.5234115,14.14196667,"neg",1665.34237,1914.521508,401.2094422,267.042856,457.581686,1698.379406,395.2996445,262.2248843,1943.583965,247.1915611,578.6553301,536.8023525,519.4577942,234.5092642,584.6161783,511.2010844,657.5435549,510.0287802,488.1625787,541.0097823,2014.683188,637.9714516,465.9648576,474.724258,1287.948443,663.2295544,646.0149167,670.5164238,656.52479,630.7618318,696.1266031,645.1151772,"LMGL05010001","M+FA-H","C45H74O10",44.7,-3.860390181,"MGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))"]
["4.69_309.1180m/z",309.1180371,4.693833333,"pos",498.0286366,341.6236419,749.7476114,693.2246914,571.0634398,317.2773139,714.1522628,607.7429052,508.3615506,740.4345989,271.9471674,247.1504125,693.2983035,672.9901431,269.5234248,231.3304552,247.8957042,438.4331781,532.5857318,488.3565003,313.234707,198.115615,443.4480418,531.6527285,358.1473965,316.7679089,330.7722041,346.0021265,348.868208,367.3514688,320.1754346,324.582907,"HMDB0006590","M+H-H2O","C12H22O10",44.6,0.087260661,"2-O-a-L-Fucopyranosyl-galactose"]
["14.91_804.5736m/z",804.5735647,14.9061,"neg",50.23114874,19.90015932,14.85354344,8.004688414,39.83953223,15.7786643,14.20263384,6.825920795,66.63567355,22.23669947,21.79411035,139.6738339,10.65089187,21.43661712,19.43353829,129.3745208,24.41805759,56.55339096,30.81573804,59.74409904,10.05429131,19.62265001,41.23126135,29.31431289,22.61433758,23.87809308,28.31701516,23.20143906,23.53144928,17.76654292,19.64047719,18.89600099,"HMDB0008908","M+FA-H","C42H82NO8P",44.6,-3.216812759,"PE(15:0/22:1(13Z))"]
["14.09_497.3825m/z",497.3825253,14.08846667,"neg",37.43744786,13.11471455,9.335347391,22.66175361,19.30175155,11.8834258,10.34562651,21.1209531,8.183807166,13.02276052,13.00402982,16.65785365,14.79884586,13.50016617,13.32709847,18.00658031,4.349474407,6.292948306,14.21264836,4.837881234,4.568211726,4.554871723,8.073589161,10.47644251,14.00435679,15.23547395,12.88193457,13.38709645,11.72866833,11.50417269,12.27240529,13.20837996,"LMFA07040063","M+FA-H","C28H52O4",44.6,-4.946512544,"2-Hydroxy-24-keto-octacosanolide"]
["14.72_575.4657m/z",575.4656788,14.7236,"neg",204.1403368,288.8733263,200.1706242,219.3331641,452.1691078,271.5005603,188.0287837,211.4608347,394.4802767,281.3343272,271.8459824,262.5342316,215.8146002,265.954243,230.3933023,226.2374414,177.9406588,171.4047086,177.2429329,146.2868684,189.3417692,181.619408,151.6219376,168.9403333,240.0256044,244.7007091,237.1557155,233.0670448,240.7790954,219.6798921,266.1752695,248.0273881,"LMGL02010457","M-H","C36H64O5",44.6,-4.197775941,"DG(15:1(9Z)/18:2(9Z,12Z)/0:0)[iso2]"]
["8.37_339.2517m/z",339.2516798,8.36875,"pos",27.93947392,27.79604015,37.05258403,26.63133229,23.76102339,28.75260845,35.86501943,28.62256971,30.5617237,30.48525245,30.07385534,30.5518874,29.57282323,28.73322449,30.55163053,31.37586801,30.61578592,32.09766209,28.60862374,31.72506583,30.88514592,32.45374663,38.79379117,29.55200026,30.63987013,26.16739895,30.27175668,33.00004381,36.99247262,35.87742772,29.64390898,35.69744392,"HMDB0002685","M+H-H2O","C20H36O5",44.5,-3.666570962,"Prostaglandin F1a"]
["9.54_477.2841n",476.2768339,9.5437,"neg",2013.193233,2547.310093,1609.206676,1301.399797,1070.849735,2639.367925,1666.116131,1290.14778,3017.512592,1499.699323,1227.089228,1577.007131,1316.753055,1515.855621,1383.914356,1694.463688,2947.423949,1453.352058,2325.238803,1366.949608,4145.977821,3200.140352,1455.451995,2435.798451,1862.112508,1801.773558,1740.864118,1924.870284,1940.914834,2094.063623,1997.244281,2144.383519,"HMDB0011477","M-H, 2M-H","C23H44NO7P",44.5,-2.994121057,"LysoPE(0:0/18:2(9Z,12Z))"]
["5.48_947.4854m/z",947.485356,5.483083333,"neg",24.97230202,32.7785227,20.49678401,19.33378237,18.67844523,39.2573967,24.18633206,18.88736681,27.2140337,0.628538514,18.30328632,18.16151634,41.67843278,5.16550466,19.84110519,14.21500414,14.79117481,14.22786885,10.57480713,12.87699356,34.54538098,16.63221343,17.15846086,10.01380389,12.25097357,12.05896903,10.12980842,10.93944255,10.25289694,13.25746472,12.17004519,7.253654129,"HMDB0031836","M+FA-H","C45H74O18",44.5,-0.401533572,"Asparagoside D"]
["10.63_487.2692m/z",487.2692443,10.62781667,"pos",39.5294442,53.71468189,31.9541308,37.50474622,63.66430617,49.1640516,28.40081269,38.91803389,41.76902438,30.42660729,58.68262807,55.35868275,40.59005392,29.91703386,61.42473319,43.49213065,17.94950303,29.70616618,32.55657524,42.23429788,25.91087984,25.67338455,22.96855735,32.2938982,36.3803639,39.85448657,33.64816675,46.24936338,31.8262266,32.57457461,33.19223006,37.54525847,"HMDB0033199","M+H","C28H38O7",44.5,0.440696926,"(4beta,5beta,6beta,14beta,15alpha,20S,22R)-5,6-Epoxy-4,14,15-trihydroxy-1-oxowitha-2,24-dienolide"]
["11.17_285.2425m/z",285.2424578,11.17408333,"pos",15.66030819,4.720829345,17.72769628,10.60212296,14.14575599,6.446023427,15.48213304,9.745442203,4.750682583,1.648623744,7.716290622,5.27073626,9.98611958,4.114821214,7.489428548,4.376075062,2.242415363,3.523910424,8.611918185,2.510520706,3.955476111,2.336797134,4.118097247,5.902195757,9.385985675,8.543783383,7.018879253,7.038741292,8.774727424,4.464282395,7.602147481,7.451312056,"HMDB0035473","M+H","C17H32O3",44.5,0.12822275,"Avocadyne"]
["2.83_252.0866m/z",252.0865738,2.8281,"pos",5.878435208,5.931833783,9.800931268,7.413635323,6.388172815,5.661802924,11.12168759,7.546268747,9.874038458,6.972167253,6.774841967,7.636545551,9.041311845,6.74491127,7.728521912,6.969453743,9.696741824,10.86963082,9.133234938,8.317099712,9.144839492,8.687442735,11.07558001,7.727218741,9.456080099,7.859462335,7.332901994,8.896445707,9.210683248,8.277584699,8.441411545,8.820863584,"HMDB0039102","M+H","C12H13NO5",44.5,-0.299255452,"N-Carboxyacetyl-D-phenylalanine"]
["8.94_707.2376m/z",707.2375619,8.941566667,"neg",30.56016644,28.47480447,25.55291816,30.46765245,21.3795904,26.60373624,16.69522841,26.92205215,26.67556552,46.57911792,24.05782656,22.95869791,25.56146013,48.62760112,24.01623967,19.3079445,54.81097007,39.23498702,58.6043869,57.03326037,44.98156429,44.1600581,42.98291928,49.44865463,29.95532051,26.76289645,30.1931719,22.96946909,31.14321854,26.69025248,32.53596805,25.52702865,"HMDB0040318","M+FA-H","C36H38O12",44.5,4.579014217,"5',5''',8,8''-Tetrahydroxy-3',3''',4',4''',7',7''-hexamethoxy-5,5''-biflavan"]
["11.02_279.2561n",280.2633848,11.0188,"pos",551.756773,388.0960305,442.5081512,333.5846741,181.3376106,352.7135774,440.0880178,485.1242822,262.779756,340.8117922,197.6840646,414.2492007,156.2216723,326.2152567,191.4405656,395.0767345,411.6090449,317.2450045,336.5015073,286.3859624,403.3701077,390.3926174,283.0067982,294.0419526,684.8482932,711.652805,679.6757447,733.5224657,842.3444079,863.7248584,794.6785677,762.7078863,"HMDB0062656","M+H, M+Na","C18H33NO",44.5,-0.380796292,"Linoleamide"]
["7.82_258.2058m/z",258.2058155,7.8197,"pos",6.420724659,1.179719216,4.89256862,3.945744975,2.416184934,1.229068749,5.290084554,4.065867903,0.438987297,0.718096848,3.516399234,1.970102563,2.33958438,1.555944996,3.603549418,1.834165719,0.648522859,1.135146672,2.914128889,0.204593687,1.209192875,0.247271686,0.93224688,2.125939998,3.07548314,4.048704892,3.812510586,3.785584968,5.001103772,3.505623193,3.267534208,3.856259907,"LMFA02010016","M+NH4","C14H24O3",44.5,-2.309424231,"(1S,2S)-3-oxo-2-pentyl-cyclopentanebutanoic acid"]
["7.03_542.2721n",560.3144237,7.0301,"pos",18.66456343,75.60490391,124.0069698,39.5061755,38.52536283,74.28840278,120.7301985,41.23174772,50.9500981,48.97135595,26.14677292,18.6714011,22.11149461,48.9379032,26.79106571,17.81464756,10.49183435,4.344377697,11.24877842,2.683831799,19.02761959,15.38904944,6.942687698,11.24735991,23.41090849,23.41707691,22.85272426,25.54846043,24.76958071,26.63879629,22.8554627,23.80229571,"HMDB0010320","M+H, M+NH4","C27H42O11",44.4,-1.087221562,"Cortolone-3-glucuronide"]
["12.96_858.5473m/z",858.5473446,12.95786667,"neg",22.6100866,53.53214048,19.78437129,9.911645667,59.2008629,51.76494006,16.26886427,10.3770416,77.22385587,31.02196701,82.39578542,38.67637415,47.22938693,28.59800901,89.46163237,46.20379886,62.8704652,28.9908597,32.887014,51.05154565,68.01471233,57.20451747,24.93319626,38.50290906,48.4893092,50.93748708,47.72440767,53.85680443,45.13698539,53.79916955,44.09242849,49.46249279,"HMDB0012382","M+FA-H","C44H80NO10P",44.4,-3.494089632,"PS(18:0/20:3(8Z,11Z,14Z))"]
["5.95_201.1135m/z",201.1135137,5.954716667,"neg",14.98724447,5.62764423,9.116017852,13.11065946,15.74127396,4.12177934,8.85602569,13.57439812,8.067015797,9.830961405,12.29310212,8.002324712,11.23281562,11.29226475,12.54491037,6.084743926,22.90635917,47.44259146,57.02452065,94.037955,47.70446287,20.86966793,49.44435376,52.61987836,21.9889258,19.34376758,24.78268665,23.88251619,23.34711632,20.80824054,22.85678202,21.03236132,"HMDB0032413","M+FA-H","C9H16O2",44.4,1.800429192,"Methyl 2-octenoate"]
["7.28_677.3146m/z",677.3145681,7.275983333,"neg",115.4521265,121.9780725,98.81599124,127.7981621,129.0179368,129.6246723,86.70035016,117.7661778,110.8190826,85.56872606,140.7548674,173.0667644,121.4185421,91.09441936,144.6344583,179.6260474,223.3792883,121.4993905,142.0421708,149.4098492,141.2411047,231.69232,116.7025774,125.7691032,133.0828058,134.3094522,139.709652,138.1346297,149.9379035,139.7170934,143.1293367,134.989777,"HMDB0034361","M-H2O-H","C35H52O14",44.4,-4.734918916,"Olitorin"]
["4.93_557.1984m/z",557.1983532,4.934216667,"pos",19.48294257,28.58716566,20.31672307,21.41143868,19.02811866,30.19584804,18.25759641,22.97601926,12.05480278,23.80416634,14.68877526,6.276816499,21.26497281,25.27804212,15.52902872,5.469436674,1.071989429,0,3.985493325,0.895102833,0.770901114,0,0,4.048831039,11.64645101,9.814332729,11.47319808,9.857884108,12.18636295,11.22640911,10.196956459999999,11.48930924,"HMDB0038923","M+K","C24H38O12",44.4,-2.183378254,"Cinnamoside"]
["10.15_496.2662m/z",496.2661678,10.15001667,"neg",19.46081105,39.95115523,23.88368681,27.264414,25.58711072,39.14121341,28.49850391,22.50660861,80.08789807,30.27957043,31.81179104,34.41921687,31.22675704,31.54138202,34.50371937,38.87384655,126.0827676,32.51274483,39.69865379,37.1371264,309.6426816,122.9233542,37.98130084,41.62050097,45.44989655,45.84802944,44.43432894,44.23373896,51.69698476,40.10975117,45.45616069,45.48214245,"LMGP03050002","M-H","C22H44NO9P",44.4,-3.869830889,"PS(16:0/0:0)"]
["3.26_171.0667m/z",171.0667022,3.263516667,"neg",4.688343576,3.660690355,6.702428279,8.89708955,3.633911219,3.844337012,7.236588856,8.397330471,6.426923789,6.70778459,5.748270763,5.912588056,7.000852543,6.722228571,5.527392937,6.31465314,5.653500414,11.9755808,6.633078625,14.2008052,10.9529885,6.661066547,12.34062638,5.451122519,6.994915259,7.320156055,6.145022523,7.450315679,7.4471415,8.182400694,7.574035072,7.200900804,"HMDB0000341","M-H","C8H12O4",44.3,2.439626623,"2-Octenedioic acid"]
["1.38_838.1522n",837.1430652,1.380283333,"neg",488.5449495,321.5018927,357.7444662,339.6493645,324.8207084,309.8970205,342.3100551,329.9626787,371.3693044,617.8957648,143.3636933,322.2254391,374.6953834,625.8894699,148.7398179,326.709037,162.4941682,700.8249594,337.9223398,510.3844273,372.194124,172.6931712,741.2466398,337.6141947,385.5916674,367.3985024,374.5475072,317.3219414,320.2016719,315.0260745,316.5558633,325.5922774,"HMDB0006805","M-H2O-H, M-H","C24H41N8O17P3S",44.3,-0.09076143,"Beta-Alanyl-CoA"]
["2.73_476.3075m/z",476.307512,2.725566667,"pos",123.5348889,103.32695,124.2768424,128.0475019,96.87134057,95.74514481,115.1025532,123.2225025,114.2272305,124.663699,112.5973092,197.9213721,124.5230143,125.8976532,113.5205778,108.9086359,139.9441465,168.156841,219.06128,169.1597918,139.7849844,130.3787709,160.3112999,289.9199837,141.4991413,152.8927734,146.7406227,143.3966146,181.5271212,175.5241774,165.5276249,160.7993765,"HMDB0015090","M+H","C21H41N5O7",44.3,-0.763897348,"Netilmicin"]
["13.82_713.5430n",696.5397031,13.8239,"pos",70241.61919,72043.0118,71336.52346,63844.67239,64367.25828,67265.71797,67654.16077,57769.96421,61903.95383,71794.11985,60966.62675,54964.51159,74889.33342,70909.17798,57669.83787,53371.70061,69486.60695,76451.54249,74707.21705,80487.52569,69391.58961,66350.3444,77364.40066,70045.79675,59976.10986,64022.76833,63558.97546,60286.80875,61745.81907,60867.39416,56608.06742,58203.21975,"HMDB0032677","M+H-H2O, M+H, M+K","C40H75NO9",44.3,-1.669963477,"Soyacerebroside I"]
["4.14_315.1448m/z",315.1447948,4.141316667,"neg",111.6524135,212.5537264,215.9940032,150.2555638,298.3653287,224.5611067,218.4312436,153.2048624,79.26264051,348.2472713,174.2377466,128.5487379,93.83376469,357.514552,176.4877139,128.0349384,122.5674405,51.04860173,127.9916735,59.37948956,105.5707682,118.5705103,51.56645543,132.4049527,158.765898,163.1573005,152.0041688,159.233044,164.6070535,165.7263618,168.6549278,161.8643236,"HMDB0033643","M-H","C15H24O7",44.3,-0.417053483,"10-Hydroxy-8-nor-2-fenchanone glucoside"]
["10.78_377.1603m/z",377.1602862,10.77648333,"neg",180.4046554,143.4661021,185.9638986,166.4704506,144.0024428,155.510568,193.0082627,168.496705,162.3825191,163.4507012,167.7523901,232.2595725,176.7295715,155.3962547,165.2399473,154.7547968,178.9099914,215.36215,184.758982,210.7237307,169.2095036,162.0083058,218.7452318,306.9933446,166.0815084,174.5781906,176.0721337,175.5083266,179.4435247,179.548267,177.3330616,178.6103877,"HMDB0034474","M-H","C20H26O7",44.3,-0.768313811,"Niveusin C"]
["8.02_277.1798m/z",277.1797761,8.016683333,"pos",153.4457346,109.7690638,209.872744,227.9717155,104.6142196,113.6573409,193.8503058,226.6676214,189.1802203,198.0268566,95.73118351,148.4300131,220.0841131,200.842516,84.27431556,159.3419407,137.5360605,150.2297944,164.3688994,213.8660913,178.1975711,146.1078781,152.4010881,151.7302937,190.1199556,181.7416049,168.8116616,175.7809366,186.5901723,205.9596728,169.8051975,174.1294836,"HMDB0035722","M+H-H2O","C17H26O4",44.3,-0.152941068,"Tanacetol A"]
["12.52_461.2414m/z",461.2414029,12.51751667,"pos",49.73113603,53.97472825,44.44425907,47.31974324,49.00927603,53.19433237,43.84556125,44.2540739,60.99432666,61.07145365,56.32111124,57.2791234,60.22090968,59.03265103,50.34644877,55.94129355,78.76471099,85.97892535,61.72057791,82.5932603,73.51680722,70.59645685,81.09566385,54.94045499,149.954302,123.4749387,108.8422094,118.0932782,134.7129233,108.0107417,116.9616628,122.2279807,"HMDB0042008","2M+Na","C13H17NO2",44.3,0.740664958,"Ritalinic acid"]
["6.92_309.2058m/z",309.2058399,6.92255,"pos",1019.15582,948.8940625,886.0394303,1001.608823,1030.105687,913.0255378,862.0456645,971.6557976,982.8690744,954.2422224,965.6076402,1044.559961,814.3650682,965.2858723,960.5511297,1071.114684,663.4346741,762.4570714,767.2710899,672.7264082,694.3783407,645.7027633,721.5983501,743.5379832,914.8619708,929.8841654,880.4454615,931.8852651,973.616328,972.7792951,904.2531544,903.0896228,"HMDB0029852","M+H","C18H28O4",44.2,-0.635514405,"Methylgingerol"]
["3.53_429.1760m/z",429.1760123,3.53235,"neg",10.37756839,7.008447194,21.43570404,12.72355968,7.505631467,6.968292545,20.37244196,13.62160333,15.52860722,7.988483506,12.24153379,12.11265606,11.88989736,8.952038048,14.58658102,12.1147477,14.86134971,16.04267987,16.40496777,14.41547596,14.26787525,13.66751353,14.95510169,15.05296691,13.13507576,14.72586197,13.30017056,12.89956652,12.50524559,12.63603859,12.40504016,12.83804358,"HMDB0032622","M-H","C20H30O10",44.2,-1.414423654,"Phenethyl rutinoside"]
["2.97_165.0560m/z",165.0560068,2.973533333,"neg",6.259241454,6.244713578,18.12744835,10.27140099,12.69881669,7.166543418,17.14155926,11.54178335,13.42541789,8.606535207,13.3394477,17.56844762,15.12740315,10.50691833,12.55221263,16.07399695,16.91022405,18.84932464,15.32634081,17.36155145,21.04207811,15.98307829,18.18129201,13.39061198,11.27377287,12.97330718,12.13708091,12.36495783,13.06250396,13.49987729,12.5518836,11.52883323,"HMDB0036072","M-H2O-H","C9H12O4",44.2,1.570333276,"Genipic acid"]
["8.46_323.2219m/z",323.221892,8.457766667,"neg",223.8727487,173.0869963,161.4865269,236.1689946,203.6247991,166.6926813,167.7765943,241.2126225,165.9944071,259.0291816,229.6429194,254.474833,263.0248918,260.2870486,237.8105926,275.0697774,253.3867132,349.4898585,320.791991,322.3585535,194.1550944,252.9678426,333.5626433,331.2754779,201.2622707,213.4370678,200.6222324,218.0357513,223.9038041,232.5346246,224.364575,214.9612763,"LMFA01030156","M+FA-H","C18H30O2",44.2,-3.202561258,"10,12,15-octadecatrienoic acid"]
["14.53_573.4499m/z",573.449894,14.53061667,"neg",388.0754295,467.3798879,262.401715,270.3327394,449.6185267,422.2433165,252.5699282,260.7331971,677.9513893,412.8982762,486.7202144,484.424273,469.92271,406.2833806,461.9840012,467.0634209,709.5456436,553.8742547,487.5482605,550.3985885,595.0122523,733.4101,554.631201,455.0752553,448.1232542,471.2636168,463.9572003,455.9353372,453.0519989,413.2433867,500.0665955,474.3395877,"LMGL02010368","M-H","C36H62O5",44.2,-4.447110227,"DG(13:0/20:4(5Z,8Z,11Z,14Z)/0:0)[iso2]"]
["0.65_342.1159n",341.1086199,0.647816667,"neg",3403.927063,1602.635777,2593.465312,2536.086211,2267.80478,1701.956992,2541.166961,2676.796775,3178.885716,3399.365918,3294.442519,1916.092122,3963.304884,3582.909214,3403.128471,2153.50389,3817.756034,4796.711808,3119.098571,4667.783598,3968.431479,3636.090066,4752.15267,3111.539319,3053.039286,3217.721436,2894.180169,2927.77116,3205.127624,3193.917064,2965.249887,3288.21072,"HMDB0000048","M-H, 2M-H, M+FA-H","C12H22O11",44.1,-0.921243292,"Melibiose"]
["8.71_407.1753m/z",407.1753147,8.707316667,"pos",69.4449499,88.32031054,56.60245532,60.65247417,63.0034228,80.16972724,55.00589537,68.22290584,77.1606031,52.02824127,55.28086697,82.73966166,51.60858365,57.55888203,51.83545336,78.52551499,52.14974409,55.60309692,39.25710986,59.83579643,53.04712387,53.09682537,49.18872844,43.09628074,62.2592904,56.98175995,57.7279508,61.17904416,62.70237209,62.16248643,55.18759935,60.36089476,"HMDB0014877","M+NH4","C19H23N3O4S",44.1,1.443965588,"Hetacillin"]
["9.22_467.2346m/z",467.2346294,9.218933333,"pos",8.679951879,10.33735925,10.54183482,8.89999966,14.67167206,10.97680336,11.69623415,9.650549133,12.40977821,10.21547797,21.72015775,10.63073488,9.303789738,9.961109969,15.74862518,10.13125662,5.666753078,6.309982796,9.902424844,5.869268432,6.411670881,7.339975941,7.501841578,9.638067377,10.8224216,10.83353152,6.975131521,9.997497294,11.94947882,17.65605825,18.97648174,15.74676678,"HMDB0015303","M+H-H2O","C18H36N4O11",44.1,-0.289762307,"Kanamycin"]
["1.95_463.1526m/z",463.1526146,1.946016667,"pos",70.02163048,63.67863098,119.8474079,90.60795496,83.17361271,66.72487719,122.1201674,89.4924383,93.69795127,66.00154759,76.85540252,78.37561929,102.8309097,70.20849137,77.51794429,70.60052985,97.86787463,98.07087368,79.32883369,79.39697426,137.558374,96.35588585,100.9466775,70.34094727,88.06966985,84.22234213,79.99455336,91.04448326,88.57569071,81.99842859,82.8322951,87.78416717,"HMDB0030149","M+K","C25H28O6",44.1,2.04599802,"Glisoflavanone"]
["8.02_221.1550m/z",221.154981,8.016783333,"neg",167.1412841,110.9434808,209.4956291,230.9551202,106.8446398,116.8960224,205.0260722,251.1131964,205.5400305,198.8258201,107.1636261,181.5773048,217.4681345,225.5875455,98.04874766,181.066486,140.4267297,171.0453681,169.4102749,227.9764157,182.1204775,142.3472012,181.3556116,153.3211335,168.6518841,181.1095365,172.1853439,192.9653644,188.1657216,181.6596234,185.3542914,193.8780462,"HMDB0035180","M+FA-H","C13H20",44.1,1.575149369,"(6E,8E)-4,6,8-Megastigmatriene"]
["9.20_345.1693m/z",345.1692965,9.19705,"neg",1.446614863,2.225739198,11.40828342,7.29788696,3.627500211,5.028747718,7.239683691,8.863166207,9.056088213,5.251731696,6.644380852,2.876386896,1.284286385,3.483970097,3.960176963,1.75619496,2.651674677,12.53426703,6.024944331,11.30414649,17.06912878,3.646881026,11.24325394,4.195466839,8.780225883,11.67190451,8.979726229,12.02384465,9.19018672,9.447618536,6.618772679,13.4356035,"HMDB0036665","M-H2O-H","C20H28O6",44.1,-3.984102613,"Blumealactone A"]
["7.36_508.1939n",491.1906533,7.361233333,"pos",259.5004627,98.29279343,97.98173422,197.5719934,223.8174506,91.51234774,95.24307481,194.6630014,71.70046991,349.8942193,196.8676107,127.728634,210.83289,343.3788154,200.3994901,118.6338515,133.2059888,501.6423493,367.3358668,610.1451791,181.9379634,123.0847496,428.8031622,338.8006309,199.4371743,178.1777687,190.9834794,192.5642711,201.3347683,197.9746655,190.6312944,189.9363825,"HMDB0038710","M+H-H2O, M+H","C25H32O11",44.1,-1.023710118,"(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside"]
["2.58_447.1500m/z",447.1500268,2.584066667,"neg",4.360791075,6.654435101,15.61989976,10.04649983,15.49783942,8.078742147,18.66702269,9.520198312,7.402648796,14.25157048,13.67698475,10.19996922,17.33161604,13.45473425,12.96038358,9.025301306,11.58260621,13.54671745,16.36208041,9.560084308,20.37542904,11.52191966,12.62802234,16.79076901,11.78350229,12.01925875,12.9192767,13.60319825,11.0658799,12.04281074,12.36624074,11.27423398,"HMDB0041190","M+FA-H","C18H26O10",44.1,-1.922398351,"Benzyl beta-primeveroside"]
["11.14_271.2276m/z",271.2275896,11.1383,"neg",176.6323473,207.0133685,108.4491099,138.2057315,126.0889315,197.4050683,103.9959122,130.2011316,131.0835236,67.66748415,115.079359,122.0346105,91.18008945,64.87593746,117.2977071,110.3879532,63.75227806,101.1100349,102.7673841,100.6880302,115.9898438,64.54022076,102.621507,103.1270783,102.1139871,96.82877207,103.0715195,106.889066,106.6871041,102.2045969,108.1646397,105.6080994,"LMFA01050051","M-H","C16H32O3",44.1,-1.024198439,"Juniperic acid"]
["10.03_441.2482m/z",441.2482413,10.03335,"neg",61.29913166,31.79106108,35.62123917,34.1608573,71.17767083,29.59055527,31.22857404,48.23386881,14.37685344,28.70619067,43.45180834,26.16011637,25.29762357,26.33541761,46.70944385,32.67079081,5.266907836,7.515330448,29.48074941,12.58794776,7.895585044,6.833468396,14.03948796,16.71241871,34.16287492,38.24801047,32.63315593,35.78045974,27.83375749,34.63035696,30.1480879,25.93914511,"LMFA03010096","M+FA-H","C22H36O6",44.1,-2.903411474,"PGF2alpha-11-acetate"]
["14.78_550.4575n",549.4502037,14.7771,"neg",994.5222141,871.966865,451.8266002,632.7039579,836.6151152,708.6536467,434.5528187,608.5583655,927.3245656,785.2051371,714.9070831,668.1264002,660.9051957,741.4713252,650.0302647,661.9861445,711.4817854,706.0454013,585.9864878,647.6345626,550.0828121,730.5037161,727.6461007,579.5595641,695.2109371,721.3656413,768.0830699,691.5101276,682.5890462,668.3027086,714.7942146,776.8123015,"LMGL02010405","M-H, M+FA-H","C34H62O5",44.1,-4.078338436,"DG(14:1(9Z)/17:1(9Z)/0:0)[iso2]"]
["0.71_134.0217n",133.0146077,0.711316667,"neg",8083.89712,7701.896309,10476.90747,7371.608943,6989.086822,7837.764051,10696.57578,7160.549865,8178.428639,8108.786146,7304.396893,7694.921877,7138.354451,8259.888055,7628.746127,7649.871005,8230.436375,7589.213531,10661.9274,7961.82547,10114.64872,8630.043414,7564.062306,10734.3906,7706.602493,7759.880538,7787.263933,7709.739327,7745.002806,8298.695739,8326.058406,8699.725147,"HMDB0000156","M-H2O-H, M-H","C4H6O5",44,1.537351552,"L-Malic acid"]
["6.83_338.2690m/z",338.2690035,6.8265,"pos",4.924985842,2.947399292,3.183038345,4.988978334,4.191753297,4.416105284,3.764054001,5.260949148,5.322810442,2.620085919,4.259553392,4.139911959,2.181884766,1.912137559,3.774643553,4.741425882,0,1.005003257,0,0.801676278,1.967620737,0.457457635,1.420695343,0.235031497,2.803234236,2.484851063,2.606199231,2.890119149,2.456892415,2.843263835,3.01679448,3.786686927,"HMDB0002190","M+NH4","C20H32O3",44,0.103230049,"5,6-Epoxy-8,11,14-eicosatrienoic acid"]
["0.97_179.0564m/z",179.056441,0.967466667,"neg",343.098209,305.8313317,455.3613081,324.8863178,338.0213253,317.8473961,460.4873195,346.0922357,403.0626494,385.7061373,419.7806653,402.5716086,475.4917968,385.807087,441.9985321,394.280345,414.7406769,560.5130546,418.853303,533.8877867,569.9912597,410.8998796,607.736297,444.2131573,404.5319201,404.4211844,410.4338007,404.0770257,422.4502113,422.1183832,414.4595786,429.3249826,"HMDB0003224","M+FA-H","C5H10O4",44,2.456478829,"Deoxyribose"]
["6.24_581.2223m/z",581.2223151,6.235216667,"neg",919.9308831,991.4464038,1069.427568,1007.464568,1264.174642,1018.982968,1092.447317,1015.201217,853.3216032,963.8002575,1307.861858,963.2767811,956.4105863,988.8586678,1376.879791,960.5841594,1122.995811,901.2469444,1004.77092,1033.421397,1029.650685,1128.297343,880.0536456,1001.801543,947.0236022,960.9973362,962.4295775,974.2874213,970.9494904,992.8454985,977.2692443,1015.295559,"HMDB0010345","M+FA-H","C27H36O11",44,-3.076537314,"Aldosterone 18-glucuronide"]
["7.69_309.1709m/z",309.1708612,7.6928,"neg",53.09333748,52.31722128,79.49154728,123.2435205,31.75867072,56.60751984,82.71319259,128.5754236,58.0746162,63.20636596,60.448694,72.0693886,39.82063006,60.64001551,56.47875735,72.32755862,67.46609192,105.1758967,91.04596874,136.6856657,122.3994986,67.56169055,112.4567887,94.92622177,95.88961924,93.89143409,91.94115267,95.38734527,95.83425226,101.9668604,99.40036341,99.5706092,"HMDB0032090","M+FA-H","C16H24O3",44,0.430269827,"12-Oxo-2,3-dinor-10,15-phytodienoic acid"]
["7.08_193.0874m/z",193.0873934,7.082333333,"neg",3.232276753,2.257982006,6.766956393,6.469402328,3.324515856,2.708902232,9.365602552,6.251660607,3.712136731,2.801732343,2.82513209,3.065447136,4.208559241,2.21185092,3.081125365,1.143769647,2.039425963,8.226006831,4.49304751,12.28484337,3.675777046,2.701444888,14.89601436,5.322022924,5.591786961,5.855774736,6.015696445,6.075258538,7.103340823,10.12658552,7.25607619,7.117806765,"HMDB0032575","M-H","C11H14O3",44,1.934956277,"Butylparaben"]
["2.40_551.1756m/z",551.1756496,2.399733333,"neg",62.55935772,106.2680575,251.4720346,177.9805338,208.9094855,107.7189297,264.7799627,184.2924258,83.77163871,61.84612751,179.7899665,111.0724382,233.1667391,62.47985628,178.5722442,108.7717678,205.5481393,261.8988784,127.3286846,207.6920495,160.9226242,204.8819254,268.1067969,115.93875,146.4538355,148.707423,147.6985789,140.7245593,146.0642662,142.5835373,142.0749737,151.4324045,"HMDB0035445","M-H2O-H","C26H34O14",44,-2.394020086,"2''-Methoxy-(S)-oleuropein"]
["2.05_188.1643m/z",188.1643096,2.051566667,"pos",19.50151543,33.33109555,129.1746755,78.13590584,124.2793195,34.40764959,128.4957428,79.83811701,103.0846681,62.72823995,56.03929213,92.16074095,145.7401609,64.18609834,53.75915442,91.94005464,87.03456605,158.5192547,165.1138398,137.9872316,164.9756426,91.89638263,158.7314328,168.7155414,90.50177517,87.21951366,81.67466577,95.28712757,87.77789404,89.72939572,83.02935839,88.11620705,"HMDB0036992","M+NH4","C10H18O2",44,-1.150584893,"1-Cyclopropyl-4-methyl-1,3-cyclohexanediol"]
["2.19_375.1301m/z",375.1300633,2.194583333,"neg",39.49146205,27.51613459,9.960617967,21.70351107,19.34529428,28.56202352,11.1527269,20.85456722,18.06058983,14.78246229,19.11198453,31.76104536,15.42557137,15.33591321,18.84406661,31.79742794,9.803311778,13.6774542,12.77412372,18.3637707,7.252941433,8.985813872,14.30585635,13.91671745,16.23419617,17.22178892,14.93333397,15.98857603,18.08601656,16.67426501,17.13648806,15.81417572,"HMDB0059767","2M-H","C8H12O5",44,1.044203224,"Tetrahydro-2,5-furan-diacetic acid"]
["10.14_325.2377m/z",325.2376844,10.13918333,"neg",463.1445792,419.6096351,490.4264317,452.7311279,520.1147507,429.0206557,504.9305114,476.7386185,510.1764316,527.8315553,614.6671489,704.8398496,648.0650368,537.6938869,625.3456671,718.6752071,811.9063764,545.7522126,729.0490614,460.9252475,775.1233633,798.3820023,556.8089762,712.3828942,642.4667884,640.728862,641.4910838,655.3609236,657.9001219,661.9596586,656.0551773,662.1088354,"LMFA01140002","M+FA-H","C18H32O2",44,-2.671656088,"Malvalic acid"]
["8.38_318.3000m/z",318.2999789,8.379783333,"pos",264.2835766,253.8244327,318.0505924,230.8673573,228.1883405,242.7960849,294.4931888,220.2605893,212.9740197,231.1832809,230.9183951,213.2741203,220.5772203,219.7219693,218.5913738,211.7147679,257.20411,370.2577068,190.6567969,294.4565636,222.2757164,250.1330801,333.5479588,184.2500014,331.5055792,333.1675653,318.7985723,332.3003531,365.6314969,353.7114868,330.4380537,320.0226736,"LMFA02000136","M+NH4","C18H36O3",44,-0.971386371,"18-hydroxy stearic acid"]
["7.55_343.2481m/z",343.2480694,7.554316667,"neg",2062.108112,4121.520389,2058.49784,2663.201297,2429.458729,4258.068648,2107.534587,2612.130335,2667.69148,2379.916275,2469.002377,2780.573593,2645.3671,2410.17959,2567.689289,2718.350191,2644.005404,2135.949351,1874.235408,2156.309947,2510.272727,2740.600808,2159.228423,1836.485884,2014.909628,2001.993535,1992.856213,2161.317263,2220.815784,2292.487766,2272.443497,2315.851098,"LMFA02000181","M+FA-H","C18H34O3",44,-3.112920678,"19-HOME(9Z)"]
["11.47_340.2610n",363.2502354,11.46971667,"pos",2257.607461,1550.77731,2646.258227,1880.825734,2622.033913,1487.190021,2342.50508,1817.491381,890.5257916,1425.693299,4063.746329,3114.325553,3238.758324,1318.631136,3970.250409,3076.606538,2286.206341,1992.035775,2912.07854,1540.304904,2667.955235,2180.040054,1838.14202,2855.766292,3289.883758,3286.429996,3129.944585,3383.438644,3428.913284,3261.70902,3041.648328,3229.065729,"LMFA03010113","M+Na, M+K, M+NH4, M+H, M+H-H2O","C20H36O4",44,-1.013729528,"PGF2alpha alcohol"]
["11.31_524.2975m/z",524.2975024,11.30945,"neg",228.3230721,740.0860929,733.1698024,419.4952642,593.9195664,764.4513145,729.2912416,435.938987,887.6008596,683.9226745,613.8699596,546.0533739,689.4478012,692.4755415,629.1207253,563.7980626,1274.22159,812.7159617,805.0440425,869.2312565,2149.892321,1277.512714,835.87572,864.7190752,611.7029281,642.9618301,660.2250412,661.8062946,662.8726264,686.6808673,681.40877,713.3141376,"LMGP03050006","M-H","C24H48NO9P",44,-3.597725063,"PS(18:0/0:0)"]
["3.34_545.1841m/z",545.1841219,3.33885,"neg",71.32605158,77.39186351,75.43157189,83.19743247,78.82854297,80.34181894,77.38440179,78.60681446,48.0742363,80.95611874,57.27893187,80.33934429,58.73432732,77.76992278,65.20267294,91.75431165,59.32104499,46.35284713,66.1965986,51.24251059,42.40449171,59.03499488,45.4677613,66.75396347,67.11008081,61.94563521,63.67061603,59.63728372,60.24123441,59.32634649,63.80144925,59.4969239,"HMDB0005036","M+FA-H","C25H31F3O5S",43.9,2.977451639,"Fluticasone"]
["0.68_146.1173m/z",146.1172664,0.67625,"pos",1590.502395,2019.235574,4277.94294,3412.577365,3878.719248,1921.568878,4247.646145,3284.811535,2668.128237,3171.091746,2378.306063,3622.531001,3621.389747,3113.81885,2304.324051,3633.460556,3686.214762,6038.63369,4752.957032,5353.629418,4605.192802,3715.281996,5694.881077,4562.382666,3058.365617,3061.718449,2887.128809,3041.176156,3375.648952,3449.659327,3179.827737,3283.685777,"HMDB0006831","M+H","C7H15NO2",43.9,-1.990032406,"3-Dehydroxycarnitine"]
["0.72_333.0604m/z",333.0603808,0.721983333,"neg",8432.52524,5896.311115,5854.237784,8092.787402,4980.982596,6271.734081,5822.563191,8469.59042,6372.960935,5850.942514,5401.453088,5187.847639,4589.47063,6162.299761,5579.038881,5597.644255,3604.259046,5759.75652,4854.3302,6673.865699,5565.114584,3805.939712,6265.539868,4499.212231,6606.226116,6471.692189,6258.053419,6305.243315,6830.064078,6841.071604,6947.556848,6883.849159,"HMDB0011649","M-H","C9H19O11P",43.9,3.469809164,"1-(sn-Glycero-3-phospho)-1D-myo-inositol"]
["9.58_422.2957m/z",422.2957154,9.5786,"pos",0.518945824,0.06505063,0.363590682,0.061920741,0.025893577,0.274290649,0.793866532,0.952966426,1.064004069,0.366881932,0.326283145,0.00543455,0.06512134,0.035628296,0.213544004,0.060881642,0.220374618,0.362905118,0.3933234,0.696907471,0.01943451,0.430573016,0.221995831,0.903998424,10.69731999,10.75039023,7.581929,7.669025274,9.470330845,8.339484392,7.450179238,7.323325777,"HMDB0028690","2M+NH4","C9H18N2O3",43.9,-3.945522638,"Alanyl-Isoleucine"]
["6.75_192.1381m/z",192.1381264,6.753333333,"pos",21.62309594,12.08466903,12.11074777,16.52366885,21.17560099,12.91582975,10.13272724,16.46196096,30.30965512,19.89183033,32.92280734,20.29756577,50.40465629,21.10526693,29.78272466,21.61602503,31.69569778,28.02976181,13.5865042,24.38502423,32.12995158,33.54132388,34.02378561,14.15852718,14.90313818,15.95567319,14.10378035,17.93233941,17.95963796,19.1990605,16.9976173,15.49537882,"HMDB0032635","M+H","C12H17NO",43.9,-0.858950034,"N,N-Diethylbenzeneacetamide"]
["2.89_581.1852m/z",581.185239,2.886883333,"neg",17.50944493,15.33433068,20.50504131,21.28278271,22.0166585,16.83584106,22.35255588,19.87027084,11.94940542,10.97468449,21.94894342,19.42858444,17.42158482,11.46275385,21.44719153,20.14624832,15.0428049,24.19537709,12.63649733,15.70258798,7.214245528,18.4485599,23.69034596,11.54977364,16.98359451,17.54583131,14.13086806,15.83406929,17.14075141,17.88780809,10.928043540000001,15.44851488,"HMDB0033281","M+FA-H","C26H32O12",43.9,-4.364687738,"8-Hydroxypinoresinol 8-glucoside"]
["6.96_372.1569n",373.1643706,6.955316667,"pos",166.1292346,194.2682158,190.2925298,206.6013414,181.9562602,183.4035916,184.178129,183.258547,165.6622444,186.2404133,185.8457574,189.253311,181.6135744,192.4234753,190.6379499,168.3941849,174.2205132,169.0096064,162.8416492,170.9234056,183.953298,174.8284011,187.5456533,157.9435857,169.3551972,198.5683619,166.6635069,185.1532028,179.8460563,185.6115035,169.5345578,159.4832853,"HMDB0041416","M+H-H2O, M+H","C21H24O6",43.9,-1.028804062,"Hydroxymyricanone"]
["9.17_311.2224m/z",311.2224035,9.165216667,"neg",4420.732719,4806.676553,4229.238225,4436.78328,4741.728696,4961.972261,4246.676518,4542.743453,5718.153098,5187.218236,5035.015675,6042.957178,4273.945959,5177.498871,4892.970957,6139.486727,5634.178248,4103.707541,4884.95173,3451.894068,5799.1447,5656.358827,4241.774793,4815.449668,4919.739344,4902.582741,4927.02777,4996.278038,5133.45535,5480.244494,5094.311826,5169.030045,"LMFA02000011","M-H2O-H","C18H34O5",43.9,-1.14944122,"9S,10S,11R-trihydroxy-12Z-octadecenoic acid"]
["7.35_511.3287n",550.3132259,7.35055,"pos",33.21020815,67.92805081,55.64369606,83.81695032,63.09554275,63.77559722,52.83562566,74.59908261,37.56672962,92.02254669,42.12776686,48.06269406,49.78309687,96.33450227,37.91466633,45.75561118,105.6217973,49.22722778,82.36375559,46.00771563,80.18677993,96.1795689,42.16470121,76.73908739,60.02696419,57.98313215,60.76409918,67.08785164,64.36074279,64.91099519,55.72690204,55.68540825,"LMGP03060002","M+Na, M+K","C24H50NO8P",43.9,2.484921504,"PS(O-18:0/0:0)"]
["2.44_705.1654m/z",705.1653732,2.4419,"pos",19.49941931,7.577963301,16.84151194,24.71418635,9.519178866,8.231849108,16.42724511,25.97305386,15.57212224,18.8192887,20.81363005,37.29559088,15.31149791,19.21156035,21.04745126,37.17884552,77.32566458,35.24015179,40.04828876,24.90747977,18.75635426,71.4367264,37.01036623,39.23742922,24.813929,25.85388755,26.92993367,31.81895709,34.53982581,34.14232011,33.43787193,31.80711451,"HMDB0029383","2M+H","C16H16O9",43.8,-1.08988742,"Chlorogenoquinone"]
["11.65_599.3932m/z",599.3932241,11.65143333,"neg",28.24134119,43.30060948,27.605292,35.65060588,33.95383965,44.24865256,24.84350204,34.28907886,64.72910569,40.52489875,62.6071348,42.68931097,50.95126722,33.87823305,67.30301146,63.9612851,38.10286165,24.61817552,23.77208949,33.09148915,55.93687668,52.00815967,22.64231142,29.25863309,44.20626943,35.52081915,29.34192127,43.56155139,46.77121854,37.65128675,38.37527277,39.46939074,"HMDB0035102","M-H2O-H","C36H58O8",43.8,-3.401669069,"Lansioside B"]
["1.19_188.0930m/z",188.093005,1.1948,"neg",2.743446329,3.648708966,7.711374012,7.396066575,5.810003148,3.506062893,7.639482333,6.55702751,4.626645502,6.133082004,5.115238982,5.45963177,5.647475209,5.751338388,6.979037075,4.733326198,9.49226105,8.945535167,6.56925744,8.561238984,7.985282182,9.220452957,9.732663643,6.542096909,5.440481693,5.789651431,6.062792748,4.862819667,5.601060305,6.573164067,5.373905184,5.767818798,"HMDB0038949","M+FA-H","C7H13NO2",43.8,1.212367768,"3beta,6beta-Dihydroxynortropane"]
["2.07_316.2232m/z",316.2232066,2.072716667,"pos",10.98038743,18.71949687,9.467097177,9.696376229,7.039488816,21.10820898,8.824770248,8.412422968,9.398888417,3.661967948,5.080276655,3.748635036,3.726080578,3.535259758,3.344817326,3.925544529,0,0,0.814368695,0,1.113478896,1.236766999,1.550781262,2.310943358,5.253891986,5.77960532,3.939346633,5.399145946,4.476291144,5.106137543,5.034505757,4.187042438,"HMDB0060473","M+NH4","C13H24N5O3+",43.8,4.917873439,"Diphthamide"]
["3.41_146.0595m/z",146.0595079,3.41105,"pos",4.135345083,2.977976235,6.168358201,4.592145061,6.907573874,4.821425691,9.427708731,7.3494192,8.122535068,7.581172627,4.836073375,4.189175423,7.920173779,7.482221063,5.399800462,3.975038147,4.730734615,7.075182991,6.111274818,9.845760963,5.477977131,6.641860822,8.324824554,8.524904515,5.622437379,4.630996932,3.641327591,7.406492712,4.347915594,6.719686915,5.691682018,6.141439636,"HMDB0001424","M+H-H2O","C9H9NO2",43.7,-3.265020516,"4-(3-Pyridyl)-3-butenoic acid"]
["10.37_306.2195n",307.2267742,10.37353333,"pos",23112.22724,16532.99143,19582.88391,21751.53121,14720.96547,16135.54716,17963.0272,20122.77583,12705.92172,15268.06444,17475.10664,17830.76357,20531.241,14842.82227,17276.07968,18371.22337,9563.7815,13355.92334,13936.57328,13827.71918,12414.10776,9108.066432,12889.17157,13069.22125,16950.15185,17461.50173,16145.10491,16939.30426,17531.59131,17816.12353,16183.41429,16280.89378,"HMDB0013156","M+H, M+Na, M+NH4, 2M+Na, M+H-H2O","C19H30O3",43.7,0.009786997,"16-alpha-Hydroxyandrosterone"]
["0.68_157.0492m/z",157.0491506,0.67625,"pos",102.1108512,61.11493433,67.31802043,82.71758261,54.11306529,69.80859134,63.85953435,91.70084687,84.27877756,90.54903496,69.94121316,105.2199699,82.07593337,96.09057116,68.23468278,109.6531266,84.98677839,151.5516593,126.2739634,142.904146,91.89727032,93.53648427,133.3956202,123.0045695,82.00153944,73.86295768,83.5954745,79.96128163,88.63792614,95.03605294,97.85685392,93.35523696,"HMDB0029610","M+H","C7H8O4",43.7,-2.464775939,"Ascladiol"]
["9.51_372.1358m/z",372.1358221,9.50815,"pos",91.41055867,86.43023925,121.1122645,77.37565386,75.29019926,81.92490937,107.2666193,76.97313074,91.61236867,92.31243903,85.22784153,101.4011839,97.21626632,83.89170302,82.15042156,78.02493814,125.4144863,142.6630959,120.2487907,142.6654831,118.3860147,112.0525719,133.9573364,160.6529586,114.0809598,109.9723864,99.70308172,113.4764017,115.9606923,109.5181466,104.4122679,102.6267615,"HMDB0034854","M+NH4","C19H15FN2O4",43.7,1.161670978,"Flumioxazin"]
["9.96_593.3853m/z",593.3852962,9.95935,"neg",18.67640213,37.86820865,27.40452673,36.01338308,44.07699282,42.70129435,28.40860183,32.82015115,42.0408576,37.86986623,30.71947219,42.41694114,44.4430039,47.3892644,32.74883715,44.72074069,53.06572958,44.26021233,31.87827232,45.33156624,52.42527814,60.82490473,39.90462852,22.07971613,38.6531553,39.24132403,36.83409332,41.34037456,40.85951584,40.32867515,43.03011922,37.57467871,"HMDB0039140","M-H","C37H54O6",43.7,0.897024465,"Hericenone E"]
["1.33_348.1295m/z",348.1295025,1.327766667,"pos",5.987521372,5.483133215,4.538372166,4.330528235,4.836253247,5.09338226,2.3023028,5.618866447,7.066073991,3.626523153,6.73995184,5.025950072,6.803534999,3.657050324,6.612798655,5.726819477,6.344468788,10.77417852,5.580072163,6.775648912,13.83918587,7.877265142,8.367790367,5.508941377,8.754901361,7.030482516,5.301492588,6.545292897,8.181589236,7.041849503,7.711867113,6.520945875,"HMDB0041207","M+H","C14H21NO9",43.7,1.713681782,"Dide-O-methylsimmondsin"]
["10.22_597.3018m/z",597.3018334,10.221,"pos",10.86835618,25.79619001,16.89890868,15.72059258,16.70543149,26.84542134,20.81252032,15.17764802,29.0825862,19.99901782,15.55194112,18.88024944,20.5992323,25.0392756,16.15804186,25.00926528,39.92173232,19.06503878,31.82230568,18.13839393,47.35881394,35.76300572,20.58057799,36.58663773,20.68998149,18.85888188,17.50391916,23.36713593,23.52718948,28.39215269,24.61101495,23.34959876,"HMDB0041889","2M+K","C13H21N5O2",43.7,-0.670773253,"Etamiphylline"]
["10.05_432.2271n",433.2344038,10.04838333,"pos",90.4126241,211.6746287,328.1608927,163.0403008,195.0474801,209.8352663,304.274963,167.0881391,174.1951939,154.1938224,158.6147996,123.8318832,238.5226609,145.8023034,157.0444942,135.3235402,301.275094,139.4644219,259.7606699,132.9551591,420.8004815,276.1807879,142.9264701,230.4566913,166.0400632,180.9158671,163.8276239,168.9279699,170.9737573,167.4674662,169.5423067,177.3945393,"HMDB0062316","M+H, M+NH4, M+Na","C21H37O7P",43.7,-1.302043148,"1-(6Z,9Z,12Z-octadecatrienoyl)-glycero-3-phosphate"]
["13.62_296.2714n",297.2786618,13.62218333,"pos",1440.596336,1703.185989,1225.263571,1657.455143,2577.95335,1572.255802,1156.952228,1551.28264,1560.794419,1342.068042,1719.620654,1468.68597,1197.000534,1230.051431,1592.924094,1598.793703,694.3205848,810.1288178,1127.723021,1075.90477,1153.584604,613.7238533,829.7587762,989.0577485,1070.081999,1307.359702,1232.915169,1092.109136,1273.398558,1180.180799,1232.86582,1484.504431,"LMFA01140009","M+H, M+Na, M+NH4","C19H36O2",43.7,-0.489471722,"13-Cyclohexyltridecanoic acid"]
["11.31_262.2294n",263.236683,11.30608333,"pos",165.542831,446.6984734,138.890498,115.6568437,89.30443623,378.6459015,129.6160381,91.05203461,321.4405427,44.32916017,137.6288032,106.0429468,100.9162781,58.0469641,138.3770788,118.4541801,130.2611402,62.14948822,47.12886258,49.94889471,358.6754159,106.9915839,57.68014098,50.18594228,102.4639662,110.9566803,110.3502452,123.5211959,113.9852269,125.2553919,120.9606736,114.4949772,"LMFA05000065","M+H-H2O, M+H","C18H30O",43.7,-0.849295004,"6-[3]-ladderane-1-hexanol"]
["9.62_521.2748n",522.2820269,9.619016667,"pos",766.9626041,2146.988295,2017.932997,1507.894193,2427.334768,2153.471547,2028.338694,1455.968208,2255.386175,1861.419891,1779.165178,1832.347908,1730.971701,1864.617578,1602.674462,1870.26926,3518.04719,2080.960344,2813.538831,1965.148903,3319.155377,3335.708641,1977.619948,2640.934196,2025.40203,2057.337497,1898.796917,2027.977928,2172.14213,2099.06876,1952.180399,2024.208884,"LMGP03050011","M+H, M+Na, M+K, M+H-H2O","C24H44NO9P",43.7,-1.185897963,"PS(18:2(9Z,12Z)/0:0)"]
["1.85_354.0945n",355.1017946,1.852283333,"pos",281.4625917,243.5455516,316.700529,290.3838093,196.2530415,243.9756205,329.9773307,289.2656743,341.1919392,179.2320539,300.4911779,286.3321391,287.3855298,191.4984388,309.4540609,305.5940119,650.6112817,344.8939111,463.6724357,402.2068882,373.5776014,609.9608651,331.5568488,407.7624143,347.0596242,340.7492329,325.2910666,354.0113544,366.5135525,361.8123383,338.5157457,346.5097719,"HMDB0003164","M+H, M+Na, M+K","C16H18O9",43.6,-1.592676511,"Chlorogenic acid"]
["12.07_299.2587m/z",299.2586608,12.07208333,"neg",37.11021519,41.18837433,49.8473673,45.16510082,50.52112302,40.38024576,57.42156041,53.23782872,21.87282597,48.97949326,28.77794703,26.31378669,43.28188814,45.94991928,33.47800443,23.56251641,22.55257098,33.66118027,35.88370981,35.05244555,24.4811384,25.52404007,34.04941935,38.86076579,27.50916061,30.87165427,31.31352822,32.76087169,31.69218398,32.02350014,32.25997262,33.71705401,"HMDB0010737","M-H","C18H36O3",43.6,-1.690972194,"(R)-3-Hydroxy-Octadecanoic acid"]
["2.45_367.1028m/z",367.1027604,2.454233333,"neg",125.6121874,117.1237598,145.5807837,158.8256253,58.7762371,118.1496882,157.049198,168.5894078,137.1812485,25.88261602,425.6600963,226.8408584,94.7053473,26.24170657,426.0016987,232.5836484,567.2667007,148.6667874,200.3337267,94.76200315,298.3934029,560.8406397,151.9629251,197.2022803,257.4678837,262.5478121,262.5884001,254.6237725,266.4207104,267.6297951,278.9924869,276.2369936,"HMDB0030669","M-H","C17H20O9",43.6,-1.889006375,"3-O-Feruloylquinic acid"]
["11.43_224.1280m/z",224.1279966,11.42735,"pos",224.7553745,171.7598049,254.5277156,206.9235849,176.6929112,168.9423992,263.3099341,200.3993177,201.908589,190.2154139,187.2248616,164.6124247,214.8283248,189.0756694,169.9076389,168.788328,271.0060884,299.6183321,241.7595262,289.0133826,255.1816756,242.6648443,278.7097553,216.3956592,191.1728479,205.32589,188.8843615,189.8748562,192.5977444,171.5903997,195.5836993,183.2735377,"HMDB0032348","M+NH4","C12H14O3",43.6,-0.597974068,"Isoeugenyl acetate"]
["6.69_602.3098m/z",602.3097665,6.690433333,"pos",0.202449956,0,0,0,0.273105805,0,0,0.925500653,25.1504341,1.472142765,19.39770402,19.36584669,18.62500051,1.41685527,18.03738255,20.25267016,59.94134908,48.70765622,23.64052041,27.98296654,63.07975527,56.27035361,41.59339402,24.16827445,19.05779869,20.71625978,21.61013985,19.80731914,21.39342612,23.02252369,22.08504109,21.01359647,"HMDB0033241","M+H-H2O","C29H45N7O6S",43.6,-3.469086895,"Glycylalanylprolylmethionylphenylalanylvalinamide"]
["5.00_867.4980n",912.4965454,4.9956,"neg",19114.75902,13229.16041,22468.82429,18228.67783,18389.47368,13359.25759,22917.88137,19471.85602,13811.18584,23012.88855,9417.335773,7024.949634,17844.60766,23871.2638,9976.476453,7294.472481,6532.229048,8502.996256,16338.82972,9660.748961,8407.27663,6908.435741,8562.463236,16167.70098,10380.85873,10532.45398,9936.448053,10574.62977,10052.75814,10456.40784,10301.43431,10512.05775,"HMDB0034357","M-H, M+FA-H","C45H73NO15",43.6,0.033420582,"beta-Solamarine"]
["3.34_669.2582m/z",669.2582171,3.33885,"neg",1.854584865,2.849247157,2.669221291,3.309297435,3.130526384,2.790458574,3.925650751,2.258056119,2.120587133,4.595568289,4.847806322,8.584868963,3.74849175,4.650100561,4.000673386,8.688398435,9.480292818,5.214553922,10.15948647,2.169037744,10.14298416,11.52378424,6.458143644,9.389609906,3.902145686,5.654933421,3.097751769,4.133220641,5.35568175,5.423179352,7.540309592,6.227837603,"HMDB0036105","M+FA-H","C27H44O16",43.6,-4.67922359,"Kanokoside D"]
["6.96_616.1237m/z",616.1236768,6.963166667,"neg",80.87447827,85.03176538,86.4258494,79.77083249,83.07334589,84.3715477,88.28535141,81.38479447,74.75876668,90.49262582,87.19193931,79.84906934,91.76373765,97.03890828,93.58152659,68.147471,79.22466545,83.03890445,78.13697545,81.23819723,85.18261286,72.60027404,78.84241592,65.02058266,85.54696777,73.46324388,71.27079739,80.72320826,81.65393333,77.3382647,78.33386542,68.30350522,"HMDB0060431","M-H2O-H","C27H29N3O13S",43.6,-0.93062429,"Aflatoxin B1exo-8,9-epoxide-GSH"]
["4.55_231.1239m/z",231.1239436,4.547633333,"neg",11.10174417,6.364447669,6.92732341,8.803334503,6.989928284,6.736123619,7.207516027,11.54228148,4.143458038,9.312260481,10.28219981,11.76979273,9.639856911,9.547693788,9.822442587,13.08419112,9.815248149,11.44269766,12.32117189,11.11417842,7.227081497,9.119995457,11.11563849,12.72681548,8.845417003,9.313369972,10.7145989,11.70907989,12.47656513,8.34962787,9.672506911,9.973861933,"LMFA01050157","M+FA-H","C10H18O3",43.6,0.786040148,"10-hydroxy-2E-decenoic acid"]
["3.88_208.1095n",209.1169681,3.877033333,"pos",41.89695509,47.64372756,40.60827419,38.19854134,40.56217675,44.72404141,37.29229058,35.57405861,33.01066827,40.07188686,37.53482471,33.21945225,30.3024867,36.81034321,33.8178482,35.34435921,18.02930855,14.35991679,18.85214011,14.44576203,17.90587898,18.96840306,12.78786056,18.92106234,33.57883582,31.78133841,31.958691,34.93067264,34.32611945,37.65281241,35.22589477,33.27953532,"LMFA01060095","M+H-H2O, M+H","C12H16O3",43.6,-2.059892184,"12-oxo-5E,8E,10Z-dodecatrienoic acid"]
["1.47_116.0701m/z",116.0700559,1.46505,"pos",6.540462485,7.214794113,10.89084877,8.102582381,7.322554378,9.688215694,13.90036134,9.854138265,10.66104025,6.427535692,8.972690113,8.273689774,9.314155618,7.02901015,9.310811271,7.705965593,4.89255055,7.411755417,4.996148695,7.757650456,7.550327572,9.245290864,11.35101626,9.113145906,9.237854683,7.99666003,5.751297404,8.765898053,7.856819415,9.782690684,9.477237783,8.25201997,"HMDB0000162","M+H","C5H9NO2",43.5,-4.771556544,"L-Proline"]
["2.84_595.1639m/z",595.1639106,2.838866667,"pos",16.54653623,41.75998762,28.77391921,24.84422156,21.17310469,42.06357952,24.90171095,22.3861967,24.06553172,0.838079686,26.02777019,12.36299633,13.3463392,0.653870904,24.9704179,14.51951577,17.25327899,9.737713216,14.52106289,14.3105619,9.472459419,17.25242027,7.974790292,9.959917265,17.89264992,13.57864571,13.90011241,14.22509505,13.35845029,11.40034685,15.22850132,13.01807634,"HMDB0002091","2M+K","C11H18O8",43.5,0.750620978,"Isovalerylglucuronide"]
["8.43_163.0388m/z",163.0387984,8.4323,"pos",5.979363153,4.208399169,5.687861517,5.448721273,5.109971796,6.562543674,10.0438166,6.479642591,11.64156438,8.280094003,7.349550879,6.122084942,9.719669149,8.744996052,8.279080453,6.573443736,6.956379477,8.089430249,6.473607212,9.049651453,9.763799278,9.022563146,11.45227129,8.96375126,6.777735642,6.173152815,5.276583998,7.589551201,9.121712234,8.013697117,7.899293033,8.313951831,"HMDB0002149","M+H","C9H6O3",43.5,-1.06230614,"3 Hydroxycoumarin"]
["2.14_729.2602m/z",729.2602356,2.13975,"neg",4.766625939,15.24533493,16.88353047,8.77200645,20.22190674,14.33623923,19.34602663,10.25425855,6.575768776,1.435288012,7.636565678,1.402186816,13.12174402,0.985637413,6.369313759,1.564771625,2.995737736,12.10494794,2.225473212,8.454053194,6.171222831,3.442402598,12.63133681,2.825024274,3.307833236,2.214552405,4.230647533,3.122928428,3.496246338,2.928153353,2.404054803,2.881249559,"HMDB0002278","2M-H","C14H23NO10",43.5,4.272689583,"2-(acetylamino)-1,5-anhydro-2-deoxy-3-O-b-D-galactopyranosyl-D-arabino-Hex-1-enitol"]
["10.70_291.2317m/z",291.2317022,10.6985,"pos",551.6709636,716.6360569,559.8326243,618.2099545,835.6340636,740.0405246,533.2610056,586.5477204,473.7138212,570.0978142,702.9866474,642.6629221,531.6776678,577.9416265,703.0035944,662.2914556,373.9783217,374.3540465,530.6418441,473.725358,533.5647238,346.5983228,345.1306233,523.28258,574.8491728,598.0356665,555.2992686,574.4394521,591.2470212,550.9594641,549.1878876,562.716391,"HMDB0005849","M+H","C19H30O2",43.5,-0.532236761,"4-Androstenediol"]
["10.71_434.2428n",457.2321318,10.70843333,"pos",188.62826,1029.779132,1596.134767,668.2752227,1051.471589,994.2059286,1550.25139,661.3819415,879.7233243,469.1792586,570.2414069,376.4556052,880.9661134,475.7517501,565.7961157,397.9658171,1443.02315,572.9387873,779.9100984,483.302923,2173.273789,1384.91325,514.7219689,777.2589993,629.7156725,625.2753028,693.1685271,663.3104312,624.5346027,668.3914629,679.9757515,692.3257029,"HMDB0007852","M+NH4, M+Na, M+H, M+H-H2O","C21H39O7P",43.5,-1.285589937,"LPA(0:0/18:2(9Z,12Z))"]
["0.78_549.0530m/z",549.0529965,0.77515,"neg",0,71.78926947,242.7886759,64.06283053,125.6004515,53.40800927,238.0931549,84.66419972,120.0589062,191.1046758,94.5389182,0,108.8301104,157.6496277,108.7305562,9.480277994,185.0751988,166.534343,127.0269333,189.6131571,198.8735022,126.2843092,163.5360914,156.3972219,109.8789179,115.2748279,112.7017328,95.58787405,123.4371976,126.1781289,127.241789,96.11610168,"HMDB0012305","M-H","C15H24N2O16P2",43.5,0.303640697,"UDP-L-rhamnose"]
["5.47_985.4070m/z",985.4070104,5.469583333,"pos",6.906499995,6.448944842,13.19105732,9.805421132,10.21781487,8.13748365,12.82462444,9.707243061,5.989696095,6.904055269,6.812968048,6.518661756,7.299004119,6.160514612,3.199611117,5.20505521,5.534852024,4.810428307,3.251336918,3.211235415,5.556182095,9.006972193,6.380754651,6.061133221,4.767941262,5.113720208,3.659795003,9.015444131,4.742945375,5.093557881,3.845111904,4.290401145,"HMDB0032906","2M+H","C25H32O10",43.5,0.649657306,"Isolariciresinol 9'-O-alpha-L-arabinofuranoside"]
["7.74_751.2553m/z",751.2553133,7.735633333,"neg",198.5675155,156.8427717,148.6249033,185.2931645,129.4700696,154.3607102,150.4980474,187.5392032,136.4409218,219.1765335,141.6164959,178.9919628,194.5418198,213.7485034,141.448261,152.7107836,166.5953969,220.9640646,207.1909476,245.132319,157.342073,165.164778,200.3252303,190.6968617,167.7890905,166.956206,159.7589349,174.5944389,172.065737,157.103098,156.100126,152.6445121,"HMDB0033932","2M-H","C23H20O5",43.5,0.587838814,"Cinnatriacetin A"]
["11.37_697.4536m/z",697.4535946,11.37361667,"neg",141.1981416,59.20665829,30.09539038,81.68892923,80.113823,58.97127546,33.53554436,81.01222136,46.08362694,38.90888879,71.19069351,105.1069281,45.91826642,42.16319556,73.60142065,90.99023697,19.13204605,38.65699919,40.42256977,42.05790018,21.9993202,29.3461076,37.7947052,48.79394565,44.11057382,47.11753321,55.64481282,60.02006552,54.24800661,58.3919082,46.43280388,46.27252181,"HMDB0038016","M+FA-H","C37H64O9",43.5,0.548916863,"Ginsenoside Rh5"]
["2.43_382.0913m/z",382.091327,2.432566667,"neg",13.76177315,7.501609873,8.271391034,6.395383507,7.628218901,7.47897203,6.468074124,9.049662614,7.983091115,18.61941537,3.805249069,9.874085325,9.700486631,18.92525661,3.853082686,8.583782877,3.13203951,19.66617866,10.34685719,18.57207926,8.088386753,4.014788189,20.33273141,12.26653059,8.871888602,9.544935361,6.783184504,8.653029916,12.13545093,10.95025485,10.93992211,11.20601001,"HMDB0039733","M+FA-H","C11H19N3O7S",43.5,-3.698861987,"gamma-Glutamylcysteinylserine"]
["12.60_552.3287m/z",552.3287221,12.59905,"neg",4234.287035,8290.181446,9434.874461,5899.766865,6458.098313,8410.270814,9605.479317,6095.362499,7702.896837,7413.283556,5851.025349,5108.756643,6191.164031,7715.449803,6023.515772,5098.15811,9715.773497,8136.116153,7672.239293,7973.458447,12901.40685,9315.639055,8263.086051,7843.114959,5868.194229,6346.519736,6432.133184,6312.34928,6380.857165,6498.433407,6722.577231,6769.560135,"LMGP03050012","M-H","C26H52NO9P",43.5,-3.560868,"PS(20:0/0:0)"]
["2.26_147.0437m/z",147.0436991,2.2626,"pos",41.17560873,25.14369039,63.90670874,53.16080839,32.77490446,33.01344844,76.59575263,65.33341748,100.6950465,49.49966015,76.97571072,91.49773252,50.6675499,44.18061983,70.84200806,94.17283953,90.83239683,85.26168216,68.17764594,69.95981926,72.84734261,107.1526691,102.4407495,81.49651106,72.44219897,66.43950079,57.87442978,78.5760895,61.08515839,77.02160348,71.99367321,71.7492289,"HMDB0001218","M+H","C9H6O2",43.4,-2.443032726,"Coumarin"]
["9.77_453.2841n",452.2767745,9.767533333,"neg",1279.692406,1891.754325,704.0588401,476.4486902,577.1252986,1858.712299,699.468943,483.1132494,2025.120267,1351.284842,927.9170816,818.1286018,1201.015055,1286.855179,945.9953273,854.4291201,4873.288436,1701.122799,1592.39626,1581.050999,6255.71933,5209.595959,1731.77703,1618.408311,1661.375568,1744.251566,1663.862988,1693.945677,1697.872754,1768.495177,1789.213196,1777.026433,"HMDB0011473","M-H, 2M-H","C21H44NO7P",43.4,-3.283769173,"LysoPE(0:0/16:0)"]
["5.65_229.1677n",212.1644565,5.654716667,"pos",39.78270546,25.65584108,49.13919995,33.13089621,23.11870763,30.05075439,52.79161239,70.71962611,32.77231107,39.20892613,26.86364248,55.02256476,22.52550033,36.47148493,24.17968363,50.03709739,32.58935945,42.49091494,39.34294181,31.85564314,41.32236043,36.84242256,46.565916,45.82650889,41.32018087,40.83815972,42.63463685,62.72663948,82.13126948,89.15242952,86.64287826,76.4728965,"HMDB0013267","M+H-H2O, M+Na, M+H","C12H23NO3",43.4,-0.213165473,"N-Decanoylglycine"]
["0.67_379.1036m/z",379.1035616,0.668833333,"neg",1569.384552,808.2192628,2319.570416,3248.069518,746.0612483,769.4896839,2259.538572,3397.561336,2966.438237,1143.84279,1333.391871,786.3520598,1237.116821,1109.086414,1522.009452,800.1711505,1127.866617,3784.321722,815.3892938,4397.00417,3448.85071,1277.21876,3945.681007,754.245562,3213.006366,3236.336612,3033.558814,2849.310076,3251.759398,3413.15215,3306.316979,3470.694568,"HMDB0029190","M-H2O-H","C18H22O10",43.4,0.265779542,"5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-O-glucuronide"]
["5.82_303.1597m/z",303.1597194,5.824733333,"neg",33.14509626,20.17780707,12.37215223,24.35979046,24.01411589,13.46635676,11.3547116,24.19919521,13.71413644,27.29213217,20.0002131,30.82813485,12.8261869,24.36490455,19.13537938,25.55936149,6.627414094,16.11334783,11.90142182,10.94108004,10.30196786,5.545377236,13.0578278,19.03613388,17.41404501,17.37740608,17.09895657,18.30738229,15.34306697,14.44815785,13.58343681,18.76695728,"HMDB0032132","2M-H","C9H12O2",43.4,-1.523586417,"2-Isopropyl-1,4-benzenediol"]
["8.85_471.2371m/z",471.2370969,8.846233333,"neg",5.342175539,6.37000475,0.870359598,3.497776946,3.841238218,5.810009263,1.998887415,1.914911264,8.049149967,2.060068137,4.360173288,7.910108461,6.862333111,0.682429728,4.132269189,5.397439138,9.00905367,3.129795823,0.775293733,3.989186843,0.54997278,9.740320798,3.526705694,0.508452117,4.780736086,6.116075584,7.622801615,5.996053932,6.161132813,6.395500254,5.944159412,4.925049784,"HMDB0035890","M-H","C27H36O7",43.4,-3.663759285,"Lucidenic acid K"]
["7.97_187.1327m/z",187.1326727,7.974483333,"pos",36.25025987,53.20062818,27.92111322,47.79729532,42.01458403,49.848145,29.76084929,43.75783356,23.19142531,16.88891603,39.596898,33.65612368,37.95880684,17.83347191,37.25341355,39.24850243,13.69286097,15.63445,20.33416854,16.52533675,20.06203946,11.88457905,15.23532288,15.35480066,29.45286262,31.67107699,23.48689932,27.26058957,30.91225533,25.36995527,25.76742671,26.53479107,"HMDB0038692","M+H","C10H18O3",43.4,-1.064861129,"6-Methyl-2-methylene-6-octene-1,3,8-triol"]
["1.12_187.1076m/z",187.1076077,1.12345,"pos",28.78705764,32.13647864,55.63489025,45.5749036,50.75695486,35.83453355,59.38260327,49.83829461,15.33336731,18.49730655,15.1933407,14.4214022,27.63453593,19.88988783,14.48111992,13.78866937,20.36046001,22.43697121,16.77524049,8.732924882,38.25373605,22.02587765,22.15651576,14.79042394,25.30513024,23.00390465,21.59580185,23.96967191,24.80982193,23.6462578,23.25419411,21.60637012,"HMDB0039948","M+H-H2O","C8H16N2O4",43.4,-0.5439047,"3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide"]
["9.84_680.3977n",725.3951016,9.84135,"neg",143.0204869,364.5931245,372.1631059,309.7747002,342.4297012,377.0676359,367.7817066,306.8316259,447.6754933,323.4199255,256.8150443,265.6981576,307.7036208,315.6938311,258.1577473,269.6650315,429.0714662,223.042877,402.9633014,264.9329401,571.9340495,463.3867831,222.2378102,413.0793789,280.5604099,268.9801766,251.4066165,256.6935563,262.8870646,257.4594593,250.2382718,266.1949983,"HMDB0041095","M-H, M+FA-H","C33H60O14",43.4,-0.955545668,"Gingerglycolipid C"]
["2.46_527.2332m/z",527.2331985,2.464733333,"neg",52.26869261,55.07416845,90.1968862,82.23719639,94.01270362,57.59486732,87.24494536,74.93894623,52.17562438,60.37039932,57.38218668,83.00347143,57.65150638,58.56735053,59.67174824,80.8597797,96.49607806,56.97819031,72.43339743,48.29139878,61.85282264,95.64691837,49.01953844,74.77149738,68.49402852,67.78214977,68.39603034,62.15399086,66.18159808,70.13160636,70.00524296,71.42649309,"HMDB0041186","2M-H","C11H20O7",43.4,-2.51969284,"Ilicifolinoside A"]
["8.63_359.2433m/z",359.2432991,8.632916667,"neg",5.940283362,7.115949145,4.993817469,7.416054787,4.809960727,8.389512952,6.397384489,3.803524273,5.641074385,8.995404368,8.945961104,9.33316389,6.913203759,9.823467402,12.89538629,8.853629029,20.38485058,7.217999457,7.079557415,20.68234389,11.50649091,17.1113625,8.66978466,11.43141936,37.99471891,44.35080146,37.53893783,35.99796298,36.17950316,37.71665684,43.89454141,39.82975776,"HMDB0041220","M+FA-H","C18H34O4",43.4,-1.951730408,"Dibutyl decanedioate"]
["9.93_372.3107m/z",372.3107065,9.9272,"pos",755.5557292,578.2670168,463.77544,591.072954,734.2617666,578.0066312,448.2904612,580.5851328,408.0374845,324.6936998,653.564561,654.9296198,440.9328249,303.9708535,582.9855829,634.4129851,271.768625,263.7811574,372.9100482,275.4618883,315.5883043,265.0738677,237.4219297,335.5172982,697.8860104,657.9300375,653.3819217,685.2973513,665.4330096,640.9400518,626.0878307,650.1970277,"LMFA01170125","M+NH4","C21H38O4",43.4,-0.363483226,"Ceriporic acid B"]
["9.51_294.2192n",293.2118992,9.511716667,"neg",1709.42726,1846.219001,1353.751274,1836.255671,1137.817533,1867.853875,1370.853157,1809.620234,2413.688275,1780.426933,1612.724044,1999.796132,1866.762385,1807.813096,1657.655142,1997.456756,1612.721296,1550.556263,1384.502696,1646.097216,1852.388548,1612.698105,1597.585362,1381.267689,1588.844469,1607.107528,1574.062738,1590.813236,1630.608356,1635.519182,1607.743399,1641.909799,"LMFA02010002","M-H, 2M-H","C18H30O3",43.4,-1.084958705,"(9R,13R)-10-oxo-11-phytoenoic acid"]
["0.98_314.1362m/z",314.1362399,0.983233333,"pos",26.95259107,29.96027494,17.71483356,26.32408314,25.13387951,30.93744885,17.42058419,25.11590901,13.74414831,25.09836322,17.15157892,15.8588271,10.18743891,23.39195748,16.69015953,17.52572801,8.819437601,8.157268542,9.395334823,1.049981765,11.55256906,5.101642433,12.3759699,9.976385366,14.66254788,15.37485983,13.65182132,15.47033318,18.62656089,17.01651022,18.37098271,18.11457753,"LMGP01020005","M+H","C11H24NO7P",43.4,-0.240485387,"PC(O-1:0/2:0)"]
["9.08_518.2506m/z",518.2506273,9.0799,"neg",135.6190582,302.2007227,272.051766,245.7491286,311.772392,304.3450135,256.5703613,249.5366212,271.306016,273.3131443,227.3231085,219.6640325,229.1768534,273.4562576,229.2348694,236.7623823,394.6263244,325.3311031,461.3178802,322.1741692,375.8440721,404.826994,332.2914421,467.2704323,247.605705,251.6912419,246.9932525,247.584082,257.3707573,259.7454358,268.2575236,265.3380741,"LMGP03050017","M-H","C24H42NO9P",43.4,-3.495086978,"PS(18:3(6Z,9Z,12Z)/0:0)"]
["10.64_446.2428n",447.2500481,10.63808333,"pos",91.30228465,309.9640939,148.3918475,146.0433405,175.073054,292.1212607,150.7053468,137.3991763,225.1519305,217.6087607,182.6617197,138.4288254,167.1133172,213.976131,189.4283881,150.9467868,374.5881291,183.3378047,337.0339962,154.6466233,569.9061552,374.0423721,174.4780618,325.8127159,200.8707313,187.3574444,210.2794513,204.6234801,192.5293996,200.1131963,192.9896662,188.3338427,"LMGP10050004","M+H, M+K, M+NH4","C22H39O7P",43.4,-1.27402648,"PA(19:3(10Z,13Z,16Z)/0:0)"]
["1.66_159.0911m/z",159.0911492,1.657616667,"pos",10.67304605,11.16919069,17.11891726,13.71686972,10.38840846,14.67367489,19.45600625,15.88583119,18.42248414,12.09597383,14.26365621,10.83775855,16.38986375,12.62240506,13.47670855,11.32586667,31.94130261,23.32595793,18.94404991,24.24546354,13.08962743,31.42399223,29.57645237,21.49469912,18.28179095,17.3561571,16.63210418,20.62239542,17.16900986,22.04928516,20.42965914,19.9463963,"HMDB0000259","M+H-H2O","C10H12N2O",43.3,-2.984716122,"Serotonin"]
["13.59_819.5166m/z",819.5165797,13.59173333,"pos",121.3262025,75.86503669,124.443356,82.24915749,65.20043369,69.14564939,87.51920797,78.7789887,100.7623922,89.36524026,96.98671802,75.44862668,123.6636467,96.80051269,92.6648203,71.55747833,126.4036701,147.6960561,101.7021909,143.5924399,132.8936357,180.9796146,120.1481151,142.780948,32.69895214,77.25623622,115.3881102,102.0652729,53.86854598,59.21312464,103.5456186,95.66680275,"HMDB0000328","2M+K","C24H38O4",43.3,-0.76584092,"12-Ketodeoxycholic acid"]
["13.28_772.5474m/z",772.5473596,13.27536667,"pos",39.7505932,83.67303856,34.98042501,37.63265251,97.62468475,86.60335514,29.19576789,47.86631807,70.16460812,103.6044674,130.9536035,61.58091571,81.97972439,94.58501642,112.5379982,44.62472957,119.3046663,61.73778848,99.16634722,106.2998921,87.35923933,128.5995174,76.56878066,75.92685394,39.71075687,70.82755407,89.78465925,56.3941098,69.40483913,45.5344796,71.82936955,78.74137438,"HMDB0010163","M+H-H2O","C42H80NO10P",43.3,-1.692787262,"PS(18:0/18:1(9Z))"]
["10.02_355.2848m/z",355.2847502,10.0178,"pos",169.9013713,337.8929405,216.2642594,234.9827415,216.2926524,338.675354,216.0342931,220.5100831,265.8732399,204.309885,246.2439109,213.8884882,198.0553872,208.6177033,231.4866867,201.4959953,350.982379,251.5636356,256.3855324,306.8952873,349.1089119,335.2175448,261.4766156,255.6276143,766.2729179,763.7754338,761.2041774,771.4322476,809.0024654,817.8769707,792.489275,812.4661295,"HMDB0011538","M+H","C21H38O4",43.3,1.309822206,"MG(0:0/18:2(9Z,12Z)/0:0)"]
["1.77_343.1042m/z",343.1042352,1.771766667,"neg",82.72117866,76.14279728,90.9244129,56.7550388,77.99707825,74.25203099,89.04071058,59.40667916,64.87519734,76.21420641,149.3937411,114.7304208,84.06248264,74.87008855,143.3266594,125.1964355,151.9687562,106.9829153,128.3740238,94.37782822,67.97470255,142.5198869,105.3306687,125.9118527,118.7717315,128.9698474,120.6475707,120.7015433,121.1154661,121.7235008,121.4679839,124.3391998,"HMDB0029647","M-H","C15H20O9",43.3,2.26491389,"Domesticoside"]
["2.80_467.1575m/z",467.1575058,2.80005,"neg",102.535138,115.5836318,137.9893549,122.0180622,137.3419486,118.2550804,145.167958,124.4384877,74.425657,81.83754435,141.622295,129.5485451,93.67906452,83.02659901,135.5049738,133.7300813,116.2941779,82.19020027,79.9144005,78.20887652,85.1524845,113.4849895,83.82047424,76.92189744,104.1092747,103.3095201,103.2477112,97.63742867,102.1294495,104.8792505,101.6178701,97.67202604,"HMDB0032853","M+FA-H","C21H26O9",43.3,3.838567034,"3-(1,1-Dimethylallyl)scopoletin 7-glucoside"]
["14.52_916.6094n",961.6074142,14.52011667,"neg",492.5424052,1226.522123,793.4522671,423.0954878,605.338089,1111.73999,782.5568303,418.869328,993.0524492,499.4194173,544.9992215,433.5472816,648.5089127,491.6585265,522.5772417,384.375669,1138.539727,685.4668483,693.5140197,683.8143104,1164.040465,1149.693337,692.061477,647.6456494,456.6898099,500.9017087,477.5215539,459.1575793,451.5760909,433.0442458,501.4939079,456.6476376,"HMDB0041511","M-H, M+FA-H","C49H88O15",43.3,-3.166548958,"Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside]"]
["11.50_419.2774m/z",419.2774434,11.50016667,"pos",15.41439548,11.9443022,17.40356285,35.50263384,18.59462495,13.49498343,17.56042877,36.0637144,13.08407454,26.47329964,16.50558288,25.42722678,12.94753205,21.7938817,13.02079345,28.18935367,12.33457258,22.65381544,15.8621433,21.88946601,7.738972432,15.02708664,22.34741429,16.12691983,23.17032957,22.14171154,19.25266539,22.68795648,22.21103038,25.65542504,21.2659244,23.69012851,"HMDB0061108","M+NH4","C21H31N5O3",43.3,2.312900121,"3'-Hydroxybuspirone"]
["11.30_525.3062n",526.3135225,11.29593333,"pos",189.1162101,764.9406409,713.4485225,444.6088796,551.0303863,774.8216275,686.1350614,409.5656856,946.4159236,710.7733312,640.6421916,477.1196169,748.3102718,649.1846328,565.9277044,526.0720349,1527.953168,889.9553886,836.1266042,961.499285,2498.005264,1471.96558,848.8166618,789.233097,624.4306172,676.4072958,661.3019748,682.8848015,698.827633,731.2356466,682.3029075,672.3785933,"LMGP03050006","M+H, M+Na, M+H-H2O","C24H48NO9P",43.3,-0.804706318,"PS(18:0/0:0)"]
["14.74_726.5295m/z",726.5295076,14.73998333,"pos",81.70051995,45.73076614,103.033719,64.63683002,59.24329458,46.2068428,106.0066924,62.67816033,60.90503526,86.21606216,51.7119324,41.60196257,69.96598516,87.16280735,49.91463481,42.22311437,70.4938917,99.43160774,70.20992098,85.63592333,60.34840971,78.61262722,111.6103568,70.09558334,152.5562473,235.8277276,248.281282,177.5861184,215.1386133,243.5863174,203.054857,224.6055012,"LMGP04010057","M+NH4","C37H73O10P",43.3,2.18333195,"PG(12:0/19:0)"]
["3.54_132.0786n",131.0715642,3.543016667,"neg",70.9741579,62.18302145,160.4432055,115.4791439,181.1986108,63.00235601,161.1158015,120.3684285,79.14090249,114.6617379,112.9034139,96.60046443,209.0044427,120.9611938,109.8259816,99.14774984,190.876808,290.0932493,146.8545013,231.5709483,130.8233393,192.7204494,288.0935995,139.3781474,116.8350072,123.4692351,122.5617578,127.8427611,123.9659187,127.8061366,136.1135048,127.3074529,"HMDB0000317","M-H2O-H, M-H","C6H12O3",43.2,-0.231279945,"2-Hydroxy-3-methylpentanoic acid"]
["4.99_293.1228m/z",293.1228421,4.994783333,"pos",190.4642987,306.9881436,600.6389425,300.744935,166.0599167,144.473622,316.823923,251.1574623,214.6013097,335.0426835,270.1842273,69.5640468,115.397699,194.0235632,112.844983,92.65897051,180.5026418,117.8472801,232.2580322,130.1029123,170.792037,158.4418229,71.72291286,147.4993547,178.4173019,62.69072383,142.1178439,160.8862634,79.1169334,128.3902695,109.0517944,176.1047351,"HMDB0000422","2M+H","C6H10O4",43.2,-0.862494488,"2-Methylglutaric acid"]
["8.90_474.2614m/z",474.26135,8.899233333,"neg",880.7383228,1008.173307,840.9297007,1128.218071,857.2544142,1075.407234,806.1848004,1093.728005,983.7126435,1413.201989,813.7177221,891.821249,1055.517453,1404.280839,846.0364405,900.1633278,1803.055659,1394.394913,2055.888467,1547.860538,1505.440449,1766.941679,1426.56501,2104.630375,1019.43397,1014.723457,990.3204515,994.0922476,1058.958545,1016.612412,1000.522714,1015.596978,"HMDB0011478","M-H","C23H42NO7P",43.2,-2.657139899,"LysoPE(0:0/18:3(6Z,9Z,12Z))"]
["8.65_358.2342n",339.2148516,8.654416667,"neg",579.1281562,596.4139206,600.5928829,506.9375459,899.0942852,603.1389328,562.4832196,513.8621984,409.9190346,619.6120121,1048.07825,1123.998467,956.6772861,600.4989676,1051.575327,1167.114855,761.0388708,603.3522676,789.6857506,581.116718,734.2617539,769.6645217,615.780998,837.0675891,737.5819131,712.6045528,720.3165939,751.6849712,759.7057528,750.6541595,749.1070187,759.4215228,"HMDB0012983","M-H, M+FA-H, M-H2O-H","C15H30N6O4",43.2,3.892857259,"Kinetensin 1-3"]
["8.56_495.2579m/z",495.257896,8.558583333,"neg",0,0,2.977820546,6.351688596,0,0,3.142950036,10.97796685,1.241523742,0,0,0,0,0,0,0,0,12.09022609,0,11.85862193,3.004441311,0,17.03451844,0,6.935744943,8.167485519,7.723222987,7.019756704,7.780731201,8.799684945,4.522945168,10.74345146,"HMDB0035065","M-H2O-H","C26H42O10",43.2,-4.006380649,"Cinncassiol D4 2-glucoside"]
["12.53_616.4314n",634.4615493,12.52741667,"pos",1423.965961,1069.268394,577.5808615,1163.540237,842.4926744,993.3962023,549.2433536,1123.634746,841.9414852,906.936631,1060.66531,1266.492049,872.1369495,904.2348808,1018.554325,1276.254476,559.062711,628.5173747,632.8989085,629.7334556,534.9139638,539.5203927,583.745112,664.9915773,943.9161045,970.6130405,955.3611723,778.4687723,888.8227808,780.516593,873.4383144,837.4327232,"HMDB0035509","M+H, M+NH4","C37H60O7",43.2,-4.137889009,"Tsugarioside B"]
["2.35_352.1870m/z",352.1870065,2.347183333,"pos",3.624848227,3.88138519,4.79991062,2.505736926,3.200153022,4.123235502,4.498763696,2.440665063,5.030848581,2.146908677,2.895580568,4.61690417,2.844531394,2.015663632,3.161199041,3.933221834,4.266857422,4.523473115,3.018671883,3.525013156,5.314027022,4.64415132,3.606883765,1.846034825,4.076745987,4.343469911,3.158419279,4.151089752,3.670611904,4.42087739,4.9763716,4.130374807,"HMDB0037499","M+NH4","C17H22N2O5",43.2,0.925313104,"3'-N'-Acetylfusarochromanone"]
["2.78_675.1556m/z",675.1555538,2.77735,"pos",15.84990507,1.907694042,2.27243563,6.979140596,2.692962412,2.434333642,3.94777489,5.546238316,8.714058248,7.183874385,0.695560622,5.705863385,3.325601155,10.31006901,0.813499695,4.564156729,2.493144057,21.96570961,6.433053595,16.99890624,5.2157114,2.113226091,18.91929135,5.644759845,6.86873934,5.680129342,6.985979406,5.909065695,5.852089237,3.794074403,3.495040862,2.842619332,"HMDB0039374","M+Na","C29H32O17",43.2,3.654784273,"6''-Acetylhyperin 7-rhamnoside"]
["2.15_355.1021m/z",355.1021241,2.15075,"neg",12.18858123,41.09346648,40.8284331,27.11786737,11.3061939,42.00264629,43.02999723,26.51355874,16.48408406,7.911039302,54.91134446,18.15650762,23.17276623,6.827338113,54.84133101,17.87637517,70.29073548,15.7983951,28.72119156,11.87474877,46.05775486,73.77687014,16.18761646,28.85206323,38.20318287,35.90700344,33.17909913,35.43180269,37.09802447,35.81123448,38.63933783,35.31951378,"HMDB0039958","M+FA-H","C15H18O7",43.2,-4.294254016,"1-Pentadecanecarboxylic acid"]
["1.66_132.0805m/z",132.0804622,1.657616667,"pos",4.978751289,4.006944015,5.272423153,6.347166444,3.810826096,7.188582069,9.047130114,7.601500599,8.764149024,6.19299763,7.565622321,5.164674679,8.091968223,7.04207171,6.849554641,5.179081027,12.66779188,10.56833859,8.641621998,10.49997264,6.845620732,16.01781474,15.38698251,11.54494106,8.845884091,9.162635305,7.195454027,9.106031054,9.044089852,12.94796031,11.06680901,11.88031504,"HMDB0040050","M+H-H2O","C9H11NO",43.2,-2.10327315,"3,4-Dihydro-5-(5-methyl-2-furanyl)-2H-pyrrole"]
["9.26_861.4326m/z",861.432563,9.260216667,"neg",1.382927571,8.539337241,6.810468425,2.568772975,3.140700189,8.312616371,4.963181209,1.22526702,6.661496529,15.97533101,1.349825265,2.884404059,6.077490053,12.90299869,2.925838151,1.978840498,18.57654337,2.148689106,13.5809915,3.683379287,32.06681718,15.18478973,2.398143447,14.9880828,5.901796344,8.144251903,6.491778154,5.683633684,5.138097913,6.279189145,4.70703331,7.051524186,"HMDB0060754","M-H","C46H62N4O12",43.2,3.960834138,"31-Hydroxy rifabutin"]
["13.62_264.2458n",265.2527621,13.62218333,"pos",176.3926,201.4381339,166.3443278,216.9466858,351.3892438,176.3287456,187.5151309,265.4843569,299.3368757,146.9226478,264.2659755,157.7793887,136.5868849,212.9996044,200.8156978,204.6796553,96.29191914,159.5251122,111.4066658,160.4620483,131.7871855,143.8011725,76.86010429,119.4448183,200.1266784,150.1244152,158.0495367,182.5923625,125.0072285,161.2653893,148.9701823,175.1205509,"LMFA12000284","M+H-H2O, M+H","C18H32O",43.2,1.650106936,"9S,10R-Epoxy-6Z-octadecene"]
["8.57_546.3184m/z",546.3183554,8.567466667,"pos",23.34253071,21.95527317,22.24591934,52.91290514,35.79073876,23.60871296,23.93511766,51.16790578,40.90633351,91.19648104,55.23866427,89.48628596,55.71940412,84.97770904,55.41203347,93.10521737,117.7500485,113.13761,88.39950181,116.8504092,38.78700787,112.1944141,106.1774273,80.4464044,52.42320287,61.34829538,55.12993677,67.15512417,77.61049502,74.97908768,70.99917313,74.65344159,"LMGP02010101","M+Na","C25H50NO8P",43.2,3.306839611,"PE(10:0/10:0)"]
["10.08_975.5328m/z",975.5327881,10.07876667,"pos",15.30909438,38.88567027,16.77154568,28.00425437,29.08524635,34.20292249,15.36980194,21.48376877,40.9674925,24.80896233,28.43930441,41.00627978,27.78290612,21.89261058,27.85186184,40.54033608,49.02101922,21.65343506,12.92077214,35.16481194,28.95429534,48.53586555,23.90426643,9.949428821,24.50968235,29.36223625,25.05078686,27.73259326,25.35275859,20.23912046,28.02497487,23.61271584,"LMGP06010525","M+K","C51H85O13P",43.2,-3.362666059,"PI(20:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"]
["0.57_129.0786n",130.085924,0.5732,"pos",19.76273215,19.98235777,23.8977938,20.54170374,17.6956707,22.54257278,27.41668386,20.70869173,28.01471682,15.99478687,15.19552898,13.08472445,29.84301423,16.45434834,22.04840344,13.06133805,30.48281878,33.95909062,17.2558186,30.4097538,16.91129801,25.91361525,31.63066139,17.95166265,19.29099802,21.1959397,22.05137312,24.41803088,25.64227553,27.85690015,30.17656801,22.65741849,"HMDB0000070","M+H, M+NH4","C6H11NO2",43.1,-2.564306667,"Pipecolic acid"]
["0.91_283.0917n",284.0989683,0.905616667,"pos",66.95980951,66.7125618,59.5391368,55.70864853,50.18289971,62.81637149,64.05125646,55.28601831,75.8086806,52.24078672,59.24468051,66.70392407,57.4533048,54.19368858,59.01050769,59.77879092,58.84992114,54.2599942,48.35605527,54.40800545,60.16046523,48.63994514,56.11207593,47.26582248,61.76941548,66.33936532,64.72986708,68.7261559,65.75583633,64.21283353,62.45881546,62.55349375,"HMDB0000133","M+H, M+K","C10H13N5O5",43.1,0.082456506,"Guanosine"]
["7.24_289.1796m/z",289.1796405,7.24415,"pos",22.73655115,21.35422325,23.59981687,22.02057253,21.51456077,23.9336958,23.44934878,24.30453126,18.09460142,22.4458032,18.73059784,18.58118675,19.18790928,24.70813864,19.28083827,16.81206167,17.4050114,18.30571585,18.30282354,15.16054929,17.4730815,15.2132405,17.31201466,17.50497579,20.74590978,21.26488062,19.27370028,21.29118354,22.36703699,21.45287956,20.23979991,21.92883587,"HMDB0000153","M+H","C18H24O3",43.1,-0.626633153,"Estriol"]
["9.05_359.1831m/z",359.1830996,9.047733333,"neg",143.607734,119.3899071,92.63948111,144.7096472,76.49337347,119.2039387,94.46168761,143.8989676,138.2374659,168.8411341,119.3580007,136.9827977,150.210419,170.5445276,127.4398807,140.0752561,121.91304,150.3355635,148.2444335,147.2385601,133.4346824,118.7692606,138.8353504,137.8152604,116.0283242,113.8166117,115.6849983,123.0195503,118.9654311,114.4564738,124.179133,117.2769985,"HMDB0003933","M-H2O-H","C17H26N6O4",43.1,-1.619779214,"Pentosidine"]
["9.80_319.2244m/z",319.2244407,9.8045,"pos",109.9529105,215.8683442,140.5416616,128.8640233,160.205615,224.1148055,142.6133729,129.5676047,209.6077241,153.5450731,161.2284012,153.8384944,126.8916199,160.078152,158.3703656,156.2594392,191.4627117,119.1634018,131.2074281,123.471037,201.9639658,182.3480688,102.36054,125.1041999,157.4686713,151.9030493,149.811595,171.447981,156.2692144,164.2327654,164.5850729,157.7259359,"HMDB0004667","M+Na","C18H32O3",43.1,0.253639153,"13S-hydroxyoctadecadienoic acid"]
["8.46_403.1435m/z",403.1435482,8.464766667,"pos",22.82847739,24.44685369,22.28057866,27.54100527,10.53448647,19.903185,22.63940582,26.26225206,23.4877472,28.0675614,18.75268808,19.55244889,25.30176181,28.44705659,17.26972494,19.82935555,28.53851207,31.84186363,29.4237515,32.32924231,27.98646876,22.91038481,31.00541819,30.31650403,24.30055957,21.96771341,19.40191501,24.32048656,21.96780028,22.09164492,18.2956779,17.63266169,"HMDB0013846","M+H-H2O","C22H21ClN6O",43.1,0.712758871,"E-3179"]
["7.06_807.3206m/z",807.3206227,7.062833333,"pos",17.75278255,13.20448041,24.06146502,29.44838594,11.59360944,16.59612496,21.22260746,27.43203981,25.0640495,17.3057153,13.24981383,29.71880635,13.48043825,15.44686545,13.27816674,31.79529819,29.1949593,6.229161546,9.86242313,10.45403672,18.39280485,28.23039879,12.03258148,12.05849543,17.41113162,14.63818415,15.07277668,15.29244623,19.88682534,18.46205679,19.87787417,15.29478816,"HMDB0015339","2M+Na","C19H22F2N4O3",43.1,-0.754854439,"Sparfloxacin"]
["8.68_489.2477m/z",489.2477056,8.67575,"neg",59.05427914,46.67029004,28.6652799,46.20367321,19.1997145,53.21044435,23.04902719,49.3482026,82.42524691,23.44377588,51.40796225,52.56917943,49.42389168,24.37622486,48.71686513,58.53320693,61.79658939,54.34054106,11.22064273,47.87962774,28.84731295,63.85250195,52.27855799,13.01794845,56.54699174,50.57916343,56.86075321,54.51669422,53.93383611,59.2059069,52.24479289,57.40479967,"HMDB0033034","M+FA-H","C26H36O6",43.1,-3.795482911,"Antibiotic GR 95647X"]
["2.75_473.2819m/z",473.2818731,2.7462,"pos",36.8472425,40.56555667,104.4838536,82.91270431,69.61305817,38.27463791,97.55882996,75.49293333,77.1676459,94.49355219,37.28518204,13.36513626,39.13502879,100.2975886,38.86306945,16.24373024,21.98411032,54.6774331,58.38345538,68.42383516,37.53933122,17.48686893,49.61652487,45.7041084,45.32629434,38.89434917,37.63430934,45.13146947,48.10637983,33.23947076,35.62446324,33.35703957,"HMDB0035685","M+K","C30H42O2",43.1,0.539678151,"beta-Citraurol"]
["12.22_638.4608m/z",638.4608004,12.22453333,"pos",365.2709466,335.049954,177.0807168,270.3959474,343.7415791,341.6927076,156.8751781,266.2234037,332.9793556,306.5326854,385.9760586,352.1482358,244.6879905,306.7069847,354.1355655,360.1529406,290.0171216,243.7713221,228.1559615,295.1768007,233.2648336,277.3542539,222.9117634,216.8491071,310.8076471,302.4546452,284.2530523,265.7172778,279.4023226,241.3440697,288.218131,285.6435226,"HMDB0036439","M+NH4","C36H60O8",43.1,-2.972135123,"Fasciculic acid A"]
["12.81_405.1917m/z",405.1917437,12.80703333,"neg",11.35976185,9.122856003,18.15401349,9.8602982,9.420229826,12.9899716,15.60406355,12.51618992,11.61827268,15.01367305,12.02711814,23.8174729,15.00294947,11.04225367,14.12412531,10.8058791,11.12039242,18.38611498,14.08553478,14.73325098,13.73628315,10.8254234,16.26723627,30.56527756,12.54395483,14.57099264,15.30449641,14.29886494,19.27939385,19.48697546,17.37705023,17.20444346,"HMDB0039013","M-H2O-H","C22H32O8",43.1,-0.313818774,"8beta-Angeloyloxy-15-hydroxy-1alpha,10R-dimethoxy-3-oxo-11(13)-germacren-12,6alpha-olide"]
["8.11_511.1936m/z",511.1936167,8.112083333,"pos",0.424553424,7.319825528,4.172630317,1.725261948,10.95649338,8.29256816,4.312929305,1.675362033,5.517189375,8.23265289,6.992566252,5.758629405,8.562140054,6.581567109,7.213351049,7.78672876,10.13539457,3.60878612,10.59229322,5.678749586,14.64029117,10.36196105,3.918576148,9.548451224,9.743977848,9.582770972,7.898350255,6.619613213,9.080980076,9.054710377,9.131590235,8.486473241,"HMDB0060855","2M+K","C12H16N2O3",43.1,-3.655338215,"O-Desmethyl-lacosamide"]
["9.88_441.2492m/z",441.2492184,9.88385,"neg",10.00725678,4.983391709,6.203720389,8.319538661,8.235418994,3.825681178,4.819361379,6.690143691,1.248957592,3.907182996,8.897897231,6.496157833,4.255330083,2.419937337,9.496998646,6.44124852,2.335974893,2.024357327,4.874897347,1.849275402,1.879999469,1.888811423,2.167230254,6.95205498,7.4151113,5.372454046,7.164105658,7.195979049,6.322937012,6.195177449,6.643485827,4.656562795,"LMFA01040054","M+FA-H","C22H36O6",43.1,-0.437531183,"methyl 8-[3,5-epidioxy-2-(3-hydroperoxy-1-pentenyl)-cyclopentyl]-octanoate"]
["1.19_190.1073m/z",190.1072594,1.18955,"pos",10.02649781,9.154878265,19.22819516,14.05862965,12.91741579,10.33169433,22.2437631,15.28401415,18.52287002,15.14956288,14.62325248,12.42324952,13.91742865,15.32840986,16.46707698,14.47315006,28.50056905,24.96477457,18.48108715,20.62656451,18.33914968,30.32460602,21.50466589,16.39001947,18.9435981,18.0478694,14.86987454,17.40449404,18.45373133,16.95649783,17.45163036,16.08069206,"LMFA01060156","M+NH4","C8H12O4",43.1,-0.726619221,"4,7-dioxo-octanoic acid"]
["1.53_298.0966m/z",298.0966334,1.529633333,"pos",168.2509804,129.483762,210.1860246,163.9744192,169.6319443,136.3147014,213.4366315,160.6815961,301.7765626,171.5119938,185.1899776,190.5240406,209.9663828,183.1850425,186.17405,190.5737909,199.9125259,291.1126702,159.3420836,291.0614341,235.2329642,201.3469449,287.9299546,154.8550106,190.5661412,180.637151,174.8172503,219.59203,251.5189486,272.054066,248.0918337,252.8805834,"HMDB0001173","M+H","C11H15N5O3S",43,-0.684545062,"5'-Methylthioadenosine"]
["5.84_215.1293m/z",215.1292859,5.8359,"neg",7.010119214,2.942054625,2.51577957,4.027699407,5.011531843,1.957031223,1.471025283,4.982922692,2.310147689,3.97096202,4.068110896,4.26776858,2.588676103,4.111413041,3.478767567,4.485353311,0,1.921784736,3.021617347,0.540871567,0,0,1.23009148,2.193687855,3.245839599,3.105774963,4.378124477,2.766967127,2.383117661,2.691864109,2.870652877,1.885837458,"HMDB0004980","M+FA-H","C10H18O2",43,2.370276177,"cis-4-Decenoic acid"]
["8.93_517.3161n",518.3233761,8.93045,"pos",2408.057287,2679.276616,1941.095503,2526.827055,1893.036273,2466.324494,1821.889887,2630.581215,3051.317378,3550.361823,2262.073826,1878.009033,2876.119071,3748.112924,2126.271067,1956.624565,4940.118292,3729.057583,4350.201855,4793.67182,4381.796996,4777.179,3678.661556,4619.241139,2685.902629,3047.290822,2620.410266,2601.291085,3005.340593,2681.133285,2705.438398,2577.524649,"HMDB0010387","M+H, M+Na","C26H48NO7P",43,-1.430161708,"LysoPC(18:3(6Z,9Z,12Z))"]
["10.67_481.3162n",482.3234631,10.66846667,"pos",2853.647851,6550.02458,5340.334456,3516.639524,4223.399972,6184.791841,5414.637239,3448.245563,6582.12474,7208.023018,4391.97251,3656.893662,7021.919284,6932.413329,4526.08333,3620.676688,12644.11292,8986.09731,7046.629933,8699.728511,14453.82175,12467.71473,8094.076881,7589.458492,6088.774235,6522.167674,6239.443959,6600.690766,6402.106073,6664.613666,6312.813383,6484.897489,"HMDB0011129","M+H, M+K, M+Na, 2M+Na, 2M+H, M+H-H2O","C23H48NO7P",43,-1.356459989,"LysoPE(0:0/18:0)"]
["8.66_402.2254n",425.2145735,8.661083333,"pos",29.34704758,22.70824115,26.82596506,20.47914147,30.2710579,24.09966007,31.01052842,23.01430676,23.99768791,22.18091908,36.29899079,33.07116812,30.97997142,21.08147076,29.20039291,29.2695602,25.24463825,24.39049127,23.43530253,18.07675634,26.81977384,25.04817591,23.44104091,28.02753887,27.51293549,22.95467128,23.39199052,21.85360374,25.34819872,27.51470884,26.39253417,28.33289381,"HMDB0034159","M+Na, 2M+Na, M+H","C20H34O8",43,-0.037913374,"Acetyl tributyl citrate"]
["4.90_247.1327m/z",247.1327032,4.90235,"pos",5.793738341,5.786255517,10.38816845,8.002406542,8.343007216,5.774215092,11.41240259,8.422053885,10.26786356,12.89314854,11.59037706,7.431370343,13.83370705,11.94570441,10.13377818,7.762853092,13.68901923,9.809909624,8.539351349,7.523342452,12.5473741,14.13604213,9.60556966,7.081545659,11.01075228,10.41874991,9.418570268,10.64263009,10.74771336,10.56931294,9.955487395,11.01919199,"HMDB0035715","M+H-H2O","C15H20O4",43,-0.634776639,"Tanacetin"]
["11.20_262.2296n",263.2367102,11.1952,"pos",411.6171043,1224.257007,643.9572613,573.3423211,668.0518222,1208.580725,572.8591618,522.9200194,869.6065763,361.2038139,493.3254023,483.0391947,425.1132954,361.5866861,491.5869914,473.7575948,551.0916786,346.9744969,389.488079,371.8043264,672.5117274,502.0262345,329.758421,363.1855414,458.7402996,467.4563488,427.6359577,484.2439509,500.0198937,492.3083396,460.3350847,439.4744914,"HMDB0037519","M+H-H2O, M+H","C18H30O",43,-0.299101071,"2-(5,8-Tetradecadienyl)cyclobutanone"]
["9.54_621.1994m/z",621.1993576,9.5437,"neg",29.96252338,41.0806732,24.51798875,19.08492925,13.29044383,46.0787906,27.44755637,17.53572347,45.52595037,20.84075763,16.74878826,20.04760458,18.75715945,19.98722389,17.07145968,22.83742409,44.24035976,18.00180725,33.34852676,16.08662871,62.21104853,48.83718323,17.7173315,35.88857079,27.64853731,28.89920193,23.67687534,28.57732415,29.84489643,28.6335645,30.31093312,29.34373496,"HMDB0037841","2M-H","C11H21NO7S",43,-1.787169652,"N-(1-Deoxy-1-fructosyl)methionine"]
["6.45_497.2140m/z",497.2139606,6.450033333,"neg",58.1585871,65.40266118,44.83310714,62.68688533,86.7787247,64.01133121,41.53123244,64.73592097,61.59062106,63.18690427,68.3958567,89.12115681,53.79867338,64.38788452,77.06645636,82.44848857,35.23987144,25.517942,44.57180504,21.99734153,35.09020999,39.0194215,27.25993339,39.74214821,49.1943765,47.16296299,48.43803052,46.89317213,47.49662626,50.23004387,45.20315137,50.09076156,"HMDB0060863","M-H2O-H","C23H36N2O11",43,-0.20966174,"Perindoprilat glucuronide"]
["0.88_114.0312n",97.02786223,0.8832,"pos",54.13934817,52.07274308,81.7649306,52.08003095,56.1992729,54.04005245,73.87716116,48.84488489,67.89919861,65.17861662,65.64542698,54.0819088,59.40493425,63.36859398,65.39107687,54.43964321,77.74658514,81.94187447,75.20478598,83.49369436,96.6243553,71.02946022,78.01994881,75.02434078,71.47062041,70.49557641,69.29959074,67.59715582,76.53048351,74.17097249,68.85011437,70.11707154,"LMFA01060166","M+H-H2O, M+H","C5H6O3",43,-4.76683608,"3-oxo-4-pentenoic acid"]
["1.85_163.0387m/z",163.0387393,1.852283333,"pos",57.62457024,31.63352451,58.6065054,60.41683506,38.71179171,36.68571775,64.42931141,75.89717181,66.97546874,52.17400602,75.28778259,79.46734885,53.09581149,53.39216647,75.06478819,84.49027948,132.9490287,85.89761345,103.4689401,101.5362236,69.10221147,147.2944157,102.8498415,97.84218988,83.86935502,79.78046094,70.41155485,91.84652971,88.73382333,92.21841054,86.58580748,86.43573007,"HMDB0000707","M+H-H2O","C9H8O4",42.9,-1.283782658,"4-Hydroxyphenylpyruvic acid"]
["1.64_310.0928m/z",310.0927918,1.641283333,"neg",77.46336448,62.8407814,75.66153525,68.88437647,109.1358094,60.53813401,78.05977823,69.93251022,65.11184827,85.45131834,84.68736608,152.2688676,108.0335407,90.07197878,87.37898116,152.1339266,128.6866416,142.0245807,103.8433537,126.8114002,114.3528083,130.0431328,148.3389416,108.9200464,100.9579249,103.3689777,100.0958714,101.7506392,102.633282,111.0096279,101.5079061,104.5455928,"HMDB0010329","M-H2O-H","C14H19NO8",42.9,-1.317629374,"Dopamine glucuronide"]
["9.92_479.3003n",480.3075959,9.916216667,"pos",72.13378856,134.1005553,103.2137216,103.7128007,175.6993042,129.8861409,91.35515174,105.8543946,262.4972928,113.1953789,95.24360152,254.4854231,113.4124326,116.0607789,92.40294815,260.2210494,213.8159987,110.3290919,148.0567567,114.9968666,234.1079676,190.1670533,100.7684226,144.8547264,139.1919637,145.8240114,133.6278998,139.8271768,146.8095209,140.9307176,146.2724811,142.7689827,"HMDB0011475","M+H, M+Na","C23H46NO7P",42.9,-1.815003636,"LysoPE(0:0/18:1(11Z))"]
["1.70_482.1917m/z",482.1917399,1.699683333,"pos",46.00163955,27.71429238,18.94233557,31.51743379,30.18514276,34.53716647,17.19761277,20.63671093,23.30446172,44.28374361,30.52195406,20.15481004,62.76019123,49.82197086,33.55650707,32.75546616,17.80377883,81.70589791,42.56419014,64.62541723,43.40906326,5.009551843,71.09137777,34.0145837,34.72120769,49.06882839,24.40107211,34.38696092,40.50522068,45.68701328,37.42781558,37.7119686,"HMDB0031674","M+NH4","C24H29ClO7",42.9,-4.883316057,"Armillarinin"]
["8.02_361.1626m/z",361.1625507,8.016783333,"neg",666.0499509,441.4626436,853.9226224,843.8576428,435.9195372,448.7015973,858.0089373,886.372861,757.5811397,748.4944588,412.7785736,679.4035952,853.032552,745.9648134,418.180439,656.210179,551.3959385,713.611318,625.5311831,897.6415067,645.5148937,526.7124223,687.7675845,573.039954,683.1986588,690.9624848,685.727726,700.7773107,706.974788,707.2218365,654.6045926,691.4522779,"HMDB0060080","M-H","C16H22N6O4",42.9,-1.176559124,"Thyrotropin releasing hormone"]
["10.55_572.2956n",573.3028314,10.54566667,"pos",558.1939655,1586.736317,1285.060395,926.3826165,936.4181811,1612.460637,1227.410013,907.2531273,2492.036632,2180.804626,1102.975397,1010.847181,1906.686023,2185.565122,1070.695099,1077.861862,6053.664268,1633.922619,2563.37016,1593.162958,8425.741211,5800.878301,1504.338912,2460.639809,1902.787727,2001.011753,1965.191342,2074.097531,2104.395972,2126.157901,1972.197602,2023.489915,"HMDB0061695","M+H, M+Na, M+K, M+NH4, M+H-H2O","C25H49O12P",42.9,-1.063626672,"1-Palmitoylglycerophosphoinositol"]
["2.91_173.0823m/z",173.0822709,2.90855,"neg",17.80128838,12.28059547,15.97857542,14.25970363,16.23253132,12.68821038,14.33935764,15.31638235,13.18242613,12.52297592,14.41788976,12.91771942,15.34009999,13.01440156,14.99763255,11.80308848,8.991360174,11.43408767,13.59730901,12.53085683,12.15596458,8.707041106,12.2711969,12.30218136,14.21253912,13.18805708,14.69652824,14.7917841,16.49322763,15.17124788,17.6193192,15.32328437,"LMFA01030016","M+FA-H","C7H12O2",42.9,2.642448159,"epsilon-heptenoic acid"]
["10.96_484.2789n",483.2716075,10.95813333,"neg",5874.952338,5395.516605,4816.921259,7921.913612,6389.504553,5661.022032,4907.348292,7705.03338,6361.88301,7023.847388,5150.461873,7389.343945,5920.873672,6698.716674,5295.806986,7329.676671,6462.510623,5713.991651,7655.126433,6627.583739,6519.48359,6495.085966,5844.550145,7533.223306,5346.906731,5407.564652,5433.779508,5323.057618,5456.629227,5532.620148,5541.218329,5433.420692,"LMGP04050008","M-H, 2M-H","C22H45O9P",42.9,-2.551741084,"PG(16:0/0:0)"]
["8.02_294.1833n",293.1760673,8.016783333,"neg",2903.079615,1870.159414,3702.398675,4353.266768,1809.590531,1926.640417,3650.938282,4334.689918,3459.659838,3532.972254,1696.002549,3217.137039,3830.089492,3565.815562,1744.886039,3135.471694,2247.966402,2893.25825,2689.184378,4060.094128,2904.690777,2279.982239,2876.248473,2557.31086,3033.64967,3091.513529,3098.513672,3096.349814,3060.730281,3205.138385,3052.315392,3222.200571,"HMDB0005783","M-H, 2M-H","C17H26O4",42.8,0.796758723,"Gingerol"]
["9.41_642.2455m/z",642.2454613,9.413216667,"pos",30.78470029,45.08028498,29.58572337,36.48387487,21.18859672,36.36672804,26.96037691,34.2555916,86.35021503,22.39088939,37.37718479,22.03961577,45.03300517,26.60101584,26.48911114,39.34409837,83.56426365,44.11666471,44.4427122,56.49003768,73.25561074,80.49090701,45.33631479,41.57327861,52.89659866,41.90721657,24.05629815,31.263065,33.73940147,48.97695894,40.10037261,37.27731407,"HMDB0011677","2M+NH4","C11H20O10",42.8,0.548010769,"Galactose-beta-1,4-xylose"]
["12.06_465.1707m/z",465.1707124,12.0564,"pos",8.25982677,21.99028732,5.5171421,56.09966198,4.757308443,25.89925311,7.753542321,51.77367439,2.863172831,25.18882581,4.648982535,5.547067926,8.228608628,26.69293322,4.759802066,3.914075768,6.239624145,6.896243044,12.00538642,6.878613758,4.823566127,5.016627115,7.507740639,16.38389835,16.47639025,16.38266727,15.55044249,7.845583509,6.995278034,11.3880161,15.00133662,20.96247072,"HMDB0015396","M+K","C23H27FN4O3",42.8,1.959902868,"Paliperidone"]
["8.24_235.1691m/z",235.1691341,8.2446,"pos",58.84393934,58.00234005,53.40254862,55.53273163,46.10825244,52.08177935,55.03144777,56.92376703,45.20140948,56.13871391,53.10447177,53.59105664,53.18405836,61.03826717,54.61543688,54.05228666,65.04043352,57.97061895,54.36473648,48.84302146,58.12192464,61.03611226,51.26448731,47.05007796,55.65601226,52.11524471,52.63166303,50.97120346,59.32354758,57.84045985,55.83056885,56.0389155,"HMDB0030918","M+H-H2O","C15H24O3",42.8,-0.484778222,"1-Hydroxyepiacorone"]
["8.42_289.2160m/z",289.2160137,8.422133333,"pos",85.49701908,25.12064913,27.6520469,53.99307268,40.73065894,27.29810603,30.23632164,53.44627841,13.16367547,21.57071487,45.02532235,39.35846879,29.33351927,22.03940712,40.68231964,38.42649854,14.72156943,28.23591416,27.22118093,19.12810642,13.43183246,13.92487385,28.85350298,27.24345144,42.15544337,42.24490549,41.11696143,44.07806207,42.6225011,39.44012434,37.67730821,39.16703069,"HMDB0000077","M+H","C19H28O2",42.7,-0.669034012,"Dehydroepiandrosterone"]
["7.34_509.2013m/z",509.2013313,7.340983333,"neg",988.2082934,370.8783003,339.9290785,659.3129234,1442.977379,384.4754356,348.3503647,677.7946703,394.2465595,876.6178302,1059.624418,567.4095128,1008.002378,844.4738719,1100.746468,545.1388667,463.8161933,1640.206366,1240.352713,2750.875728,819.6550262,492.0988852,1675.121558,1198.690461,736.8374297,699.2373922,705.2131721,734.5341715,738.1688306,756.0470065,744.9924942,745.3446666,"HMDB0006766","M+FA-H","C24H32O9",42.7,-3.240243705,"Estriol-16-Glucuronide"]
["12.25_380.2928n",363.2895381,12.24516667,"pos",928.7524517,501.2873935,651.2803395,1456.874735,650.3033088,487.8819862,656.1731981,1426.81066,502.948071,1271.874301,792.2617164,1395.225718,834.339236,1296.946752,810.5475539,1409.219685,888.3227846,1490.415884,1201.378645,1614.912942,309.9705388,905.4471316,1385.230113,1174.153401,1043.164036,964.4291859,993.7832058,940.9053845,1042.756634,992.8814646,1089.335365,1049.2041,"HMDB0011545","M+H-H2O, M+Na","C23H40O4",42.7,0.438100226,"MG(0:0/20:3(11Z,14Z,17Z)/0:0)"]
["6.78_453.2270m/z",453.2269902,6.784416667,"pos",11.62808803,6.84749039,4.921712925,13.06481973,5.914841787,4.640039315,8.380660066,10.41068802,9.647822006,22.28210856,7.189260408,14.1353339,9.919342041,21.3304898,10.05846135,15.38641874,17.06417563,24.83573738,18.73485336,21.90818552,8.999266915,21.30966907,18.65729093,19.97466554,14.24898355,12.25364491,12.80073677,14.78579169,14.71928794,16.39761889,14.34978956,15.20511651,"HMDB0015146","2M+H","C14H14N2O",42.7,-3.344378219,"Metyrapone"]
["2.00_295.1292m/z",295.1292023,1.999166667,"pos",7.942330943,9.881572801,17.14654161,13.31904925,12.43642848,10.76703092,18.52918907,12.1830189,17.71626847,14.00127523,15.4888288,12.59929557,14.2380671,15.43147344,16.98896204,14.18248274,18.4476158,24.30783099,19.30312102,18.94718972,21.69973554,20.40566999,22.98803091,18.0100465,15.14738176,16.73637326,15.51365573,16.93804826,17.17096753,17.20667944,16.70188552,16.28243457,"HMDB0029106","M+H","C14H18N2O5",42.7,1.204322329,"Tyrosyl-Hydroxyproline"]
["12.09_325.1835m/z",325.1835003,12.0934,"neg",3359.665511,4548.21838,3204.614237,7995.323375,2618.466254,4633.34382,3385.746667,8036.310921,2784.825722,4765.158941,2571.174503,3173.001523,3281.957244,4714.657014,2671.615265,2451.81902,2690.577451,3928.726609,3502.413248,4129.265251,3090.361455,2752.141983,3986.302019,4703.873765,4191.577736,4246.536671,4316.620291,4408.618317,4448.448186,4606.484755,4536.395954,4509.043952,"HMDB0031031","M-H","C18H30O3S",42.7,-2.419160564,"2-Dodecylbenzenesulfonic acid"]
["3.35_464.2245n",463.2172259,3.34935,"neg",55.03091508,41.21515563,65.26187715,66.93707471,91.39874741,37.86162555,64.10912303,67.76301165,68.20148752,90.32546188,110.706492,223.7254454,87.22700804,88.79830685,115.9635167,228.1359157,219.4936456,179.7287518,170.8540641,146.6645963,183.2805108,230.5967955,189.0650365,167.0730017,135.8457471,143.2413186,133.9781573,135.6734184,139.8721724,139.8481054,143.2572961,142.2541886,"HMDB0031367","M-H, M+FA-H","C21H36O11",42.7,-2.713499744,"Linalool oxide D 3-[apiosyl-(1->6)-glucoside]"]
["10.67_526.2875m/z",526.2875037,10.66846667,"pos",75.77958084,146.2818926,142.9988369,91.30335778,107.1675014,140.7887173,148.9541651,89.08464706,161.1687733,181.3721017,111.3571679,101.4588601,177.5218064,168.9090901,118.9091354,90.20331338,291.2346137,258.9275641,192.784977,250.7730966,327.147921,284.1985495,208.9340976,194.7135058,162.4558151,165.102244,155.5704824,164.7171032,165.8779174,182.6868173,163.901112,169.8387224,"HMDB0033143","2M+NH4","C12H18N2O4",42.7,0.716303145,"Pyrraline"]
["9.94_412.1542n",393.1364086,9.937683333,"neg",75.08047181,271.4049737,108.914297,106.0770978,175.476187,287.2136376,113.1297614,111.4473979,187.7349523,114.5772419,152.8836103,181.2091143,93.78988289,116.2375361,161.1223533,193.2312458,146.4774308,56.10545847,75.61126933,88.19967836,183.6598132,134.3203174,52.93954673,56.45579535,107.0227564,109.0373236,111.3878173,111.15393,106.6602327,98.65504791,107.2295899,94.66373585,"HMDB0036984","M-H2O-H, M-H","C23H24O7",42.7,4.965661626,"Garcimangosone C"]
["10.09_379.2092m/z",379.2091513,10.08945,"pos",8.106141899,17.79474066,14.32201451,10.50711107,30.29965287,16.25596105,14.23317605,9.398798518,17.1468021,15.21755209,31.9155242,18.15973891,20.86584539,15.71246906,25.32430232,20.81552431,14.71552266,8.922754793,18.82838149,9.206166496,17.30098389,14.26024284,6.165201987,19.3570267,20.04493273,22.25011995,21.60601579,21.62972909,16.90255563,26.35966536,22.68542911,19.79049977,"LMFA01040041","M+Na","C19H32O6",42.7,0.117621414,"methyl 13,15-epidioxy-16-hydroperoxy-9,11-octadecadienoate"]
["9.16_678.3687m/z",678.3686911,9.157683333,"pos",26.86045881,24.53652313,14.20655392,22.97303223,27.47397843,23.87586826,12.19364369,21.88453959,23.38176422,20.22333533,23.31817798,27.47093357,20.90538001,20.72499115,24.82281881,29.19213289,20.82361691,10.82963188,17.12931994,10.81220142,15.54499382,20.71771085,10.58460943,15.87256456,20.46993508,16.93992277,17.18901276,20.38173486,14.30387589,16.24397447,12.67836779,18.05302888,"LMFA03010139","2M+NH4","C16H26O7",42.7,-1.273178817,"Tetranor-PGFM"]
["2.57_481.2298m/z",481.2297908,2.56835,"pos",8.26730991,12.34965277,10.72724969,8.692543894,9.71243701,14.79708718,12.06080845,7.971575031,6.937549473,8.586909869,5.226681201,4.924918266,5.5870031,7.721260117,5.585559003,7.438684565,3.91641764,2.380348371,3.255256772,2.247379626,2.613142965,4.067740406,2.044042119,4.704180444,6.161099133,6.507092039,6.921541268,5.835008745,6.920729971,4.567225073,5.512381836,5.547854369,"LMFA13010046","M+H-H2O","C21H38O13",42.7,3.688612859,"2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxynonanoic acid"]
["12.58_553.3370n",554.3443247,12.57881667,"pos",5317.275229,10270.39089,11662.82829,7431.520814,7754.032205,10422.90805,11362.02622,7139.407646,10251.78717,9116.539448,7213.607911,6023.130798,8442.173285,9191.856616,7142.302728,6115.23583,12305.56462,10612.00706,8886.434605,10072.55703,16267.65852,11917.35538,9955.651891,9153.423937,7665.354685,8593.055201,8844.677407,8255.523282,8483.456594,8121.957945,8329.262439,8586.830286,"LMGP03050012","M+H, M+Na, M+K, M+H-H2O, M+NH4","C26H52NO9P",42.7,-1.663657697,"PS(20:0/0:0)"]
["9.36_477.2856n",478.2921763,9.363166667,"pos",5879.899909,10357.27871,7514.12443,7498.861137,7050.627863,9888.034459,7501.437278,7289.990751,13012.18894,9396.613872,7011.184161,8778.647364,8895.115716,9355.918213,6692.284726,9047.397884,18009.6843,10732.7821,12815.61549,10679.3128,17065.50492,18012.57076,10102.32751,12137.27386,10430.61945,9854.553105,10053.29705,9919.708956,10599.03289,9819.898892,9673.169945,9531.474409,"HMDB0011477","M+H-H2O, M+H, M+K, M+Na, 2M+Na, 2M+H","C23H44NO7P",42.6,0.181546143,"LysoPE(0:0/18:2(9Z,12Z))"]
["2.17_254.1386m/z",254.1386232,2.168066667,"pos",11.33899176,5.056247588,7.354810205,10.53803994,4.602897842,4.769982696,8.539129797,11.28847654,19.11098047,6.894477977,13.50535771,19.03898742,7.505401504,6.43894058,12.71738027,21.04071057,27.80845288,15.0713148,12.23164396,9.323466971,6.763088876,26.32714637,14.95798158,10.94326191,19.65717154,19.81192987,19.12993689,21.10784897,22.53193067,20.78627469,18.4726893,17.54317875,"HMDB0011654","M+H-H2O","C11H19N4O4+",42.6,4.72582217,"2-(3-Carboxy-3-(methylammonio)propyl)-L-histidine"]
["1.08_261.9768m/z",261.9768358,1.07985,"pos",7.557595381,8.399450957,13.61068012,9.143092016,8.928880474,10.86843344,16.72778234,10.08045073,9.070594178,8.846908362,12.19844948,8.758344145,10.44029115,9.006311646,11.51144332,9.230581133,8.183753607,10.29632575,9.114987524,11.38048364,15.22776589,10.4328285,9.865491946,9.307185399,9.865751564,9.561822081,9.449584922,9.974932308,11.03448912,11.04578625,9.846572322,8.462281866,"HMDB0012216","2M+NH4","C2H7AsO",42.6,1.793591866,"Dimethylarsinous acid"]
["7.58_187.1341m/z",187.1341031,7.575633333,"neg",2.051355211,1.85885752,5.908696175,2.490115302,1.434857323,3.218503174,5.06544611,4.016966967,3.239190442,4.269972751,2.542491296,1.805671508,3.644792102,0.751518372,2.831798098,2.903958942,2.10229471,3.553250891,1.77734393,4.45938137,3.336272121,1.979887968,5.18946872,1.780972432,3.20757158,2.369667933,5.188455349,4.421527343,4.55573198,4.596181689,3.717238185,4.804173039,"HMDB0013821","M+FA-H","C9H18O",42.6,0.949682705,"2-Methyl-4-heptanone"]
["3.81_144.1154n",125.0975285,3.811166667,"neg",497.198321,279.9680505,299.3789201,409.4220045,452.2771744,274.0117558,297.3750323,387.5438194,337.8275079,459.7040737,358.6351769,324.7679292,416.0172087,452.5093997,443.3251718,307.9681328,163.2107084,495.7842154,372.2404515,573.3412222,280.8696694,164.2904409,547.7853578,415.4600552,413.861577,382.4057971,371.0565394,377.355211,356.7654469,369.2429982,354.9609416,375.6671816,"HMDB0030368","M-H2O-H, M-H","C8H16O2",42.6,2.358115637,"(3R,5Z)-5-Octene-1,3-diol"]
["14.04_587.4297m/z",587.4296684,14.04481667,"neg",12.07164795,17.65552529,9.496567767,11.16975707,21.83071407,10.41234486,8.398375465,13.54714501,23.41417197,16.7758882,36.25956648,23.35431045,16.47658181,16.75005563,33.23538206,20.57383214,43.43792692,31.19263072,33.31800599,45.05953559,30.24012138,42.11887249,33.20712122,29.16630827,25.13315023,22.26485616,23.04364897,24.37665003,22.81911383,20.02151038,20.50780953,24.05043798,"HMDB0031103","2M-H","C18H30O3",42.6,-3.475036319,"2-Hydroxylinolenic acid"]
["6.51_124.1117m/z",124.1117143,6.509216667,"pos",0.274335487,0,0,0,3.212220047,0.380396207,0.186405831,0.986897556,3.172151407,13.30295484,9.430766644,8.073118346,6.412801159,14.12758988,9.012297986,6.968369817,0.004183881,0.6586938,19.22551228,2.538279632,0.263413212,0.380370949,2.388300234,29.50534384,2.623845624,3.00779506,2.37817049,4.094543411,2.192959746,3.651070137,3.245162215,2.843622061,"HMDB0033365","M+H","C8H13N",42.6,-2.937247251,"2-(1-Propenyl)-delta1-piperideine"]
["8.10_315.2772n",316.2844862,8.101266667,"pos",1097.651213,1353.90654,1206.346224,1081.011059,920.8690808,1353.406213,1135.202948,1062.66616,1203.518798,832.4438022,1073.895018,876.0960102,806.0829562,846.4000662,1062.347266,913.8852726,886.0552889,988.2361695,556.1622796,987.7416908,915.0002696,822.6690258,946.3566757,517.2057589,999.5948648,982.0928773,934.8462807,969.1057057,1009.835156,1006.58436,917.8960241,928.7798671,"HMDB0038057","M+H, M+Na, M+H-H2O","C18H37NO3",42.6,-0.425820049,"Dehydrophytosphingosine"]
["5.91_756.2305m/z",756.2304967,5.911383333,"neg",5.320866737,18.9076426,28.53175919,13.46823292,12.95137783,17.56633573,30.63763544,15.04175178,12.06980139,23.68634044,7.803232289,11.41653323,8.38453298,25.65590116,7.908536957,12.51258828,18.81601877,9.382051942,15.09816894,7.096702153,15.37096023,14.78399279,6.974647211,10.79699828,14.7102923,15.63121063,16.17649695,13.53730326,14.31924318,12.44907508,17.25085169,13.11375795,"HMDB0060787","M+FA-H","C39H37NO12",42.6,1.009799477,"6-Methoxy-2-naphthylacetic acid"]
["4.97_565.2261m/z",565.2261301,4.96505,"pos",17.3507366,6.108197663,15.04414168,14.39820184,7.200299582,7.881230729,9.871023642,14.03104133,6.201691113,8.875251862,25.36735463,27.58747511,8.376782338,6.908394508,25.38067723,26.70881457,56.24954858,36.48289339,10.23212654,9.414546049,21.28817241,39.44020564,20.38329238,18.12147282,12.83110624,13.94417764,15.57487789,18.51040188,19.42872476,15.93616149,20.17934934,21.01548897,"LMFA13010047","M+K","C23H42O13",42.6,0.818306553,"2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S-hydroxyundecanoic acid"]
["2.66_456.1998m/z",456.199761,2.65955,"neg",3.489879051,6.348248431,8.441534471,4.699741976,10.3853824,5.699505697,8.025350281,5.925627682,3.89852419,12.18088955,7.4645341,5.906989135,7.093525532,13.47665937,9.106601404,7.802901708,13.56805398,15.17033262,11.59722968,11.69851157,16.74036778,13.29002555,12.64838927,13.92882913,10.23288005,13.07518197,13.17573006,10.44240422,14.09572071,11.28795372,11.16906827,11.74812763,"LMGP02010104","M+FA-H","C17H34NO8P",42.6,-1.56988177,"PE(6:0/6:0)"]
["11.27_484.2794n",485.2866773,11.26585,"pos",408.8495325,454.658022,115.7665496,112.5268878,77.41149137,442.945412,111.7161902,104.2311297,338.9726202,106.6664462,110.4628782,91.55234222,127.4595949,113.6095531,93.32908764,97.54378625,267.3318948,95.62575246,150.2777712,84.67385368,609.6235915,261.5047248,92.28904087,142.7649351,180.7535779,181.1360217,166.808792,168.1342869,186.3927931,188.1825932,180.4644454,175.6259539,"LMGP04050008","M+H, M+Na, M+H-H2O","C22H45O9P",42.6,-1.484154881,"PG(16:0/0:0)"]
["8.11_595.2867m/z",595.2866728,8.112083333,"pos",0,7.513716462,3.976971149,2.412356606,7.868882343,5.505585606,3.3882701,3.153793589,5.272810316,5.839783238,5.786231481,7.709861653,7.887263892,8.446177931,6.563988838,7.368481617,10.6839905,2.710506487,8.403988457,3.865618477,9.931768515,8.086658064,1.448993098,6.320989272,8.256730829,5.9019814,6.891535023,7.387102056,8.156733513,6.998412805,6.080630976,5.579686799,"LMGP06050016","M+H","C27H47O12P",42.6,-1.879891868,"PI(18:3(6Z,9Z,12Z)/0:0)"]
["0.99_86.0599m/z",86.05985478,0.99335,"pos",28.82486594,20.78674808,41.60533099,25.29452635,18.17130228,19.62783007,38.77824027,22.93756102,32.33324156,29.47538244,23.86440805,24.91816176,18.08491278,27.87824407,23.90644443,23.33400908,21.32819807,19.48387709,31.27035331,20.9031625,44.51445201,22.50836713,20.01128166,30.04650018,31.6933793,24.93693649,29.12269493,30.27757489,29.35673291,30.48335567,28.2742622,29.59492316,"HMDB0000092","M+H-H2O","C4H9NO2",42.5,-1.799916705,"Dimethylglycine"]
["0.91_111.0088m/z",111.0088117,0.91365,"neg",250.223718,236.2348626,481.3768542,277.4606318,321.404129,259.0695401,455.2407967,269.9051571,276.440444,320.3537894,285.1684851,237.1273072,342.7534408,323.4735887,282.951456,247.4578627,300.1768915,323.0875704,364.6038856,289.1557639,362.835824,301.4166975,330.4506144,338.0304719,287.6716846,268.2621164,275.1868468,276.8557987,286.5489448,306.5054646,284.2680352,289.2239719,"HMDB0000444","M-H","C5H4O3",42.5,0.394185528,"3-Furoic acid"]
["0.57_175.1182m/z",175.1182027,0.5732,"pos",76.06051473,100.2116904,178.3723108,103.0623317,138.6305186,101.6365329,171.2665709,115.1254946,170.7610887,86.26344731,105.1391718,87.90136261,216.1405167,106.5670257,91.27211335,104.6352755,136.5418135,304.5878337,140.7837943,220.1192313,138.9338539,138.9382005,292.3468751,157.6253617,152.9231701,159.5901999,153.0476155,178.3822784,192.9337327,177.5516303,182.1585407,162.0441729,"HMDB0000517","M+H","C6H14N4O2",42.5,-4.304146331,"L-Arginine"]
["3.41_679.2432m/z",679.2432194,3.41335,"neg",3.321384064,7.080538384,3.167053115,6.363078618,7.539046881,6.877492423,3.537494638,5.553622488,3.36102922,2.787491682,5.832833063,6.087518724,5.491611051,2.356883582,3.980787396,4.504031488,2.076230025,0.665040226,2.942178881,0.177022248,2.985042039,4.360448505,0,2.049866871,3.269510957,4.018787331,3.327859014,2.679144015,2.828892639,3.477042442,2.375246991,3.619804015,"HMDB0000789","M-H2O-H","C37H38N4O10",42.5,3.246835492,"Pentacarboxylporphyrin I"]
["7.20_209.1167m/z",209.1167152,7.20145,"pos",6.835460912,4.784987723,4.177035455,5.751261826,7.74698931,6.288831143,6.567062451,8.614384493,5.242300995,8.491637194,9.574104528,7.05411404,6.52240411,6.97746151,8.719787793,7.772291878,9.04638513,5.981176743,9.630210114,6.096494695,6.358254241,8.66452439,6.023098938,8.876123157,8.350535945,8.12386487,7.408255038,10.08862423,6.301546844,9.005095253,9.091948355,8.99252102,"HMDB0030681","M+H","C12H16O3",42.5,-2.429653876,"5-Deoxydiplosporin"]
["8.02_262.1437m/z",262.1437309,8.016683333,"pos",24.54441445,17.22858158,34.73000756,39.09048533,16.45977016,20.75481337,33.68237523,38.82373947,31.73297846,31.00370142,13.96909385,24.52325267,35.6881078,30.86157746,14.64629585,26.83773459,22.83343276,23.40541014,28.1776844,35.16171383,29.83388382,24.22935201,24.98748479,25.26566166,29.59589528,31.73021656,26.46626456,30.55589125,30.54770603,35.85498451,28.50168343,28.09648027,"HMDB0031802","M+H-H2O","C15H21NO4",42.5,-0.139903953,"(卤)-Metalaxyl"]
["8.53_485.2529m/z",485.2528662,8.527066667,"pos",206.6324884,89.6870896,90.18407977,155.5521699,108.5551087,86.12041968,99.03250613,167.9897654,43.36020466,74.56551125,117.2850896,115.8786702,102.1350102,68.70469491,111.4948664,125.5882455,42.0613826,78.45665594,84.07125603,78.42694359,37.68617086,32.91893552,78.91159998,78.45040972,105.5631485,116.4516315,88.35486598,110.1100137,115.5255854,111.9667841,107.8960757,109.2556702,"HMDB0034059","M+H-H2O","C28H38O8",42.5,-1.02283031,"4beta-Hydroxywithanolide E"]
["1.33_329.0873m/z",329.0872941,1.3263,"neg",89.48179822,72.67399347,59.60998034,60.14009527,63.98336325,75.15700506,63.02967605,67.94736784,75.83828821,56.70764828,82.17866677,73.20828215,76.58608648,57.26347957,90.71642695,74.8445338,80.34042172,109.3852586,73.75225204,98.62483559,146.8437579,77.84850588,113.0924314,71.54206529,80.08318617,81.54953939,79.30253623,79.53194027,79.03156346,82.37619536,81.61168566,81.88869683,"HMDB0034618","M+FA-H","C13H16O7",42.5,-1.801073943,"2-O-Benzoyl-D-glucose"]
["5.92_867.3867m/z",867.3866966,5.922383333,"neg",105.7727721,140.5756537,154.8396729,157.9408899,142.0498392,142.6115607,155.5147364,147.5912063,120.5632614,111.6679916,140.3766285,156.6616794,145.603999,125.1801684,136.8525713,161.7657784,197.0543423,92.34016885,151.8687624,73.67825983,117.0690883,199.9217907,84.38007858,150.9348107,139.0552366,131.0667223,131.1075548,133.1934099,133.3103531,127.8417307,129.3272022,127.8260195,"HMDB0034899","2M-H","C24H26N4O4",42.5,3.641632228,"1,1'-Ethylidenebistryptophan"]
["3.43_197.1169m/z",197.1169427,3.4318,"pos",3.146655669,3.042243765,3.479293687,3.577960094,3.208602494,3.77675924,3.895684059,3.572679349,3.355445908,5.030569043,3.710370407,4.603539367,3.794021606,4.978686437,4.218248235,4.188492204,3.300784757,2.991838116,5.301467911,4.172022038,3.185841372,3.343427896,3.555926395,4.273372417,3.106092109,3.68189141,2.574122199,3.837873489,3.363712727,4.400656107,3.221954788,4.060794211,"HMDB0036226","M+H","C11H16O3",42.5,-1.417856303,"2,6-Dimethoxy-4-propylphenol"]
["11.11_395.2110m/z",395.210996,11.11306667,"pos",5.030256925,9.092728308,6.310176624,4.435294757,8.910369298,8.024541292,4.646841281,2.778234321,8.490522441,4.451057985,4.137743905,7.327800093,7.954597474,5.088248839,5.489589325,7.321448744,2.870744108,2.286466014,2.989145792,3.9170774,5.112226405,2.918904169,3.009617241,3.290611939,5.212344971,6.487120582,6.16739325,7.201837586,5.092016786,5.008426227,5.777427337,2.818120028,"HMDB0041882","M+K","C22H32N2O2",42.5,4.097184132,"Dopexamine"]
["1.18_428.2179m/z",428.2178708,1.179283333,"pos",8.359699316,1.324710165,0,1.330775086,1.90558639,2.940098405,0,1.422255123,0,7.654882653,2.639301798,2.302970279,4.723800597,6.638254717,1.944028581,2.126946802,0.453152956,13.6083702,2.598430194,16.50983228,0.409920631,0,13.25231935,1.25800108,4.105935966,6.370056546,4.266896429,4.144768705,5.795301401,3.005058922,3.481291954,3.129942847,"HMDB0042005","M+NH4","C23H26N2O5",42.5,-0.308769529,"Quinaprilat"]
["11.63_238.2296n",239.2368352,11.63311667,"pos",203.8472853,217.1551451,99.20885092,165.8075389,171.1954267,204.9842658,96.80443167,171.0546443,250.8705924,295.3048433,275.6306826,254.8300619,224.7465257,257.646437,254.8170205,255.4482297,414.9066322,347.8608163,228.9896904,384.8888584,375.9069959,395.8153191,327.2814129,208.8150638,1143.165834,1270.7127,1164.286918,1224.714087,1104.039233,1184.939043,1093.150858,1138.991626,"LMFA05000007","M+H, 2M+K, M+H-H2O","C16H30O",42.5,-0.448328783,"Bombykol"]
["11.83_399.3938m/z",399.3938105,11.83201667,"pos",129.1875186,107.6605979,153.0436915,119.7003113,50.74730073,103.1832905,136.7503285,173.3398635,69.66630932,90.8079942,94.04929764,127.5618623,40.9722378,84.0602817,89.63973919,112.8777128,106.6744841,140.7749874,170.8179993,144.4104426,161.7172307,96.39404071,135.3707497,161.1212416,150.019545,142.8278264,147.8017376,170.754246,207.6760169,213.8876133,208.8723899,217.1902124,"LMFA08040050","M+NH4","C24H47NO2",42.5,-1.821760865,"Erucicoyl-EA"]
["9.10_479.2398m/z",479.2397547,9.1014,"neg",5.898830466,88.63589809,37.42502528,13.1243573,108.3017007,95.1997906,32.23016696,12.99392823,81.02264501,127.502971,73.6056814,64.84014142,90.03567025,128.1296406,76.59588876,72.94782035,210.0569295,34.98300561,123.288772,43.56924475,396.5507981,219.0909933,46.21086591,125.3560407,85.82322209,89.25865689,80.51513019,82.35213986,88.49897706,84.90574284,88.98873704,96.25510256,"LMGP04010031","M-H2O-H","C22H43O10P",42.5,-3.589223975,"PG(8:0/8:0)"]
["1.42_219.1107n",220.1179285,1.421816667,"pos",453.9639807,450.494957,857.246898,608.8181595,530.8000599,473.7505191,845.487501,610.2201399,527.3579239,579.7259125,516.2833171,482.3078742,611.3009525,582.0088206,522.436349,501.7952725,620.9346912,700.3942626,619.7775455,633.6176173,687.5739024,678.7652186,658.8375797,584.3295829,613.6470465,582.8444021,533.5644071,606.045112,601.3563048,590.851476,542.9669453,554.5878963,"HMDB0000210","M+H, M+Na, M+H-H2O","C9H17NO5",42.4,-0.093918855,"Pantothenic acid"]
["8.30_301.2980n",302.3052747,8.2969,"pos",1147.952288,848.9631672,1496.471897,915.4826537,950.2366161,838.8566072,1455.677807,919.8723289,1156.01442,954.1465411,1083.686554,920.7781731,1189.967001,930.4598442,1056.464547,931.2266031,1292.342932,1775.780802,1148.495278,1476.3395,1417.074351,1167.491094,1655.212111,1115.908281,4458.72624,4485.85501,4157.049826,4196.768061,4583.227488,4501.220452,4333.808818,4124.92634,"HMDB0000269","M+H, M+Na","C18H39NO2",42.4,-0.269546138,"Sphinganine"]
["11.87_280.2400n",281.2472897,11.87463333,"pos",133.8726262,319.6115394,145.1709034,99.06177935,98.29334732,316.8615772,143.0953576,88.7735879,290.1207142,82.25810364,144.331943,111.6944219,98.13520273,78.76502215,136.1825733,97.01279042,157.5195101,75.57578197,102.1374505,66.03817819,316.3996555,151.2502265,68.46438265,99.27826172,136.5721468,122.9023266,128.3753457,110.5047764,111.1194709,112.9400358,122.0262702,125.9450607,"HMDB0000673","M+H, M+Na, M+K, M+H-H2O","C18H32O2",42.4,-0.774224211,"Linoleic acid"]
["3.08_968.4858m/z",968.4858194,3.0812,"neg",91.03646123,99.75742436,156.0486484,120.4224871,107.5614711,95.34048867,158.9566792,124.4216034,81.12445871,178.2083543,67.75603956,32.04320373,81.97806544,167.9460059,61.907384,32.5657551,46.23217477,49.42329686,53.05985487,76.24213717,50.49147566,45.76638583,55.12421046,56.46789265,65.29054308,56.54995704,64.22049425,61.92836764,62.45488193,59.67523237,58.3341013,68.56304445,"HMDB0014819","M+FA-H","C47H73NO17",42.4,-0.252633428,"Amphotericin B"]
["5.30_287.1503m/z",287.1502773,5.303083333,"neg",3.586989467,8.612222788,9.35486279,4.950338312,10.75556814,10.61642798,9.648667484,8.031812386,3.450267544,10.64770692,6.402130472,3.198705498,3.261471845,11.0173472,3.974751129,2.724250128,1.769006784,0,1.266925494,0,2.47803436,2.595437261,0,1.265441583,3.184928524,3.540178616,4.135707425,5.59734401,4.016204819,4.286215607,4.349749495,5.805286984,"HMDB0031315","M-H2O-H","C14H26O7",42.4,0.866261549,"1-(beta-D-Glucopyranosyloxy)-3-octanone"]
["6.28_969.4690m/z",969.4689698,6.278366667,"neg",22.49180308,3.843221435,8.736195544,25.80374205,6.120507315,4.461772131,8.048490178,22.79063678,7.666701621,5.406411408,3.494402134,17.46255186,6.712090906,5.419747749,4.252576374,18.88040279,9.843013761,6.651190431,6.582158149,8.086970102,1.325103484,8.159685187,12.18192309,8.413063102,6.558218014,2.78719562,3.66340316,4.368909673,3.706218278,5.977107389,6.191426384,5.37712926,"HMDB0033405","M-H","C48H74O20",42.4,-1.131982431,"Quillaic acid 3-[rhamnosyl-(1->3)-[galactosyl-(1->2)]-glucuronide]"]
["3.21_413.1443m/z",413.144312,3.210533333,"neg",115.6512499,112.4574661,107.2870307,63.89885376,44.85892874,117.5507652,108.9296891,63.91393266,165.8668708,54.22409081,95.4317514,61.76807561,72.02664118,53.68294119,100.5342595,63.76592284,94.76973501,76.2971176,88.45740981,89.81146916,100.6215886,96.96266493,77.95441467,92.79500889,72.95093551,74.00414891,74.36304186,72.3025509,74.01766304,76.64799293,80.7417803,77.14494476,"HMDB0034954","M-H2O-H","C19H28O11",42.4,-2.333903403,"Zizybeoside I"]
["12.26_683.4709m/z",683.4709275,12.2644,"neg",324.412769,360.7178451,164.5868566,270.4605402,282.4296731,341.6540816,162.3858622,281.3858678,248.393822,174.4599452,298.0694492,346.1643061,229.0332834,166.252343,278.4741846,337.6787632,122.5789595,146.6011275,156.1481106,177.2017558,154.189287,179.0165674,158.3464184,172.0460842,226.7490644,203.4290775,206.4442828,197.9286938,192.5431363,191.3315044,200.3875673,207.2896181,"HMDB0036547","M+FA-H","C37H66O8",42.4,-4.768306323,"9-Hydroxyasimicinone"]
["14.68_828.5738m/z",828.5738259,14.68078333,"neg",310.8964705,104.9340452,56.72184557,38.59367394,55.5247228,85.58732001,56.89016315,30.65785473,166.7798256,66.56040386,93.88566412,57.11871594,58.14733549,61.10801427,88.4024483,51.24896291,120.225695,215.4993542,140.5926908,250.059176,45.69101168,111.2269512,202.9385924,139.3983891,76.74374318,86.20304147,86.44168882,80.47410162,77.76129098,77.17258091,86.4337399,78.70875313,"LMGP02010588","M+FA-H","C44H82NO8P",42.4,-2.784874368,"PE(17:1(9Z)/22:2(13Z,16Z))"]
["12.59_762.4898m/z",762.4898422,12.58838333,"neg",3.237534062,14.79239871,35.29951707,14.21240569,28.3287801,27.11429684,47.90359975,13.57696041,13.90191095,33.65297663,27.78265109,17.93683762,11.59856407,21.8410485,25.31178725,13.7563425,34.87108721,6.28098873,20.96986773,7.011666069,29.42875954,33.70606069,8.269603,19.61312171,14.30669599,18.4693628,22.89877158,18.93800276,16.81393449,18.51131633,22.86635206,22.06511132,"LMGP03030008","M+FA-H","C38H72NO9P",42.4,-3.944612697,"PS(P-16:0/16:1(9Z))"]
["10.60_507.2711m/z",507.2710932,10.59648333,"neg",994.379628,1696.526379,914.6623951,870.7821828,975.5763304,1763.781439,957.3932007,873.2236964,1973.628811,1160.18615,929.7572312,1255.969028,1206.24782,1179.87129,969.0178093,1270.963512,2059.317341,1402.507378,1525.354842,1567.911613,2656.696506,2125.938131,1429.834487,1590.224019,1221.181488,1215.783295,1232.647739,1243.933205,1214.229191,1290.627469,1266.860866,1259.953408,"LMGP04050014","M-H","C24H45O9P",42.4,-3.443037047,"PG(18:2(9Z,12Z)/0:0)"]
["0.87_363.0332m/z",363.0331791,0.870483333,"neg",124.4082227,68.8719079,76.92354274,113.0746389,46.53876548,71.61861261,85.97510773,106.4266689,102.4704605,106.3595671,69.8571157,116.2618154,84.33009214,122.1705076,69.39057626,127.2931278,82.34948971,131.7804638,156.0102155,133.3790983,96.86922862,81.91413379,149.7221633,140.4754172,109.3714583,91.36151566,107.7606962,88.09725774,111.9520319,102.9025152,105.2648066,97.99596685,"HMDB0001554","M-H","C10H13N4O9P",42.3,-4.282683137,"Xanthylic acid"]
["9.95_521.3474n",522.3546547,9.947416667,"pos",748.1935975,1125.413664,743.0062104,1037.807459,1729.278509,1115.712941,749.9148914,966.8550404,2515.332156,1120.201841,914.166861,2383.277779,798.7982556,1118.126036,781.1650744,2246.26587,1457.366793,980.35574,1068.455752,1109.493116,1762.932004,1282.860604,860.1944319,1111.283821,1238.356883,1175.273921,1194.260532,1206.826682,1190.07793,1197.278949,1126.788667,1113.260031,"HMDB0002815","M+H, M+K, M+Na","C26H52NO7P",42.3,-1.460305328,"LysoPC(18:1(9Z))"]
["5.61_821.3013m/z",821.301309,5.6125,"pos",8.787927869,1.070187153,3.27238332,7.381921777,2.100317932,1.009439799,4.025249596,8.943435906,1.400887719,11.03963351,8.196622612,19.99335332,7.014649323,12.80641131,7.580688151,15.5454136,17.76581326,19.48931151,7.793633724,11.35069366,4.468832363,13.49946501,20.59069711,13.08271862,13.04504356,11.88680615,11.58319636,8.917086116,13.48605899,11.84975103,10.76549102,9.711463552,"HMDB0006565","M+H","C31H52N2O23",42.3,-2.503164969,"Sialyl-Lewis X"]
["10.67_481.3155n",480.3082726,10.66998333,"neg",2441.939444,5412.831636,5171.725586,3187.924578,3693.29716,5500.576916,4871.057517,2973.793461,4943.926326,5986.071815,4132.627624,3240.443547,5920.553003,6023.017668,4096.329465,3418.209654,9460.919828,7071.193204,6452.186593,6835.901876,11348.00972,9801.048733,6975.645482,6469.226988,5276.154161,5031.081136,5125.449182,5116.787211,5081.646922,5270.399753,5361.110386,5257.145969,"HMDB0011129","M-H, 2M-H","C23H48NO7P",42.3,-2.681225771,"LysoPE(0:0/18:0)"]
["2.53_141.0542m/z",141.0541582,2.5264,"pos",1.242402921,1.019808327,1.791605668,1.483768948,0.808614379,1.477733158,3.057511583,1.89119339,2.229679899,1.589547545,1.922443769,1.835095611,2.06661082,1.45157461,1.828456788,1.270901071,1.006698167,1.874198393,1.227147215,1.267454997,1.788226144,1.897203103,2.380351621,2.408693428,1.763359432,1.399265096,1.359058665,1.803832032,1.827448434,1.543464076,1.613270427,1.870084338,"HMDB0012241","M+H-H2O","C7H10O4",42.3,-2.925046312,"Isopropylmaleate"]
["12.85_416.3291n",417.3357492,12.84866667,"pos",46.00673124,114.2852997,58.18368949,32.29772623,82.48621545,107.9671352,59.04681351,31.98305329,60.24964575,96.09737205,67.346369,48.64226552,58.40736842,90.68536113,63.02350963,42.64332603,42.2823048,11.24225568,45.36145098,14.71898074,46.03176041,40.7415107,9.758403032,44.34280225,28.70893324,45.69803265,50.24222007,31.26776847,51.17383177,44.49346303,50.38917333,50.85996975,"HMDB0012453","M+H-H2O, M+H","C27H44O3",42.3,0.154744451,"3 beta-Hydroxy-5-cholestenoate"]
["10.60_736.3318m/z",736.3317963,10.59706667,"pos",3.50487199,43.43898839,28.49235713,14.09633013,14.36934821,34.62545003,23.69670926,14.80315242,25.82275168,39.20236663,16.34127032,11.01043306,28.32116569,37.13506368,15.09391041,9.928521255,59.72218494,22.82265022,25.09748722,29.09360188,71.33811201,50.26272279,20.138151,23.84728346,22.35337923,27.73412439,23.73354726,25.531055,17.23834442,17.94331207,16.32002815,22.86818291,"HMDB0014603","M+NH4","C41H42N4O8",42.3,-3.192994044,"Verteporfin"]
["3.17_549.1616m/z",549.1616434,3.1672,"neg",0,2.011074631,19.86126122,13.96550759,19.79242843,2.001077449,22.06007345,11.01307851,0.166902331,0.792915845,1.726594265,1.064161819,1.872596377,0.546248226,1.549723578,0,1.852510816,7.24286169,2.332948543,4.367910972,1.221172412,0.394211051,5.770772302,1.7434011,0.874986901,1.27420949,1.261165678,1.5522413,1.196285972,2.269965054,1.251494244,1.716941425,"HMDB0029252","M-H2O-H","C26H32O14",42.3,0.490728258,"Phloretin xylosyl-galactoside"]
["2.02_227.1753m/z",227.1752553,2.020316667,"pos",40.07366037,36.93992766,42.6107882,33.42794772,32.81480498,38.92907265,43.6275788,35.70305089,40.1667488,38.39668494,38.75630134,33.8354999,43.32837255,37.97358269,35.93943742,35.85060947,45.32895141,51.66323138,41.0883309,47.48156143,47.52145624,46.93640648,51.72746904,45.56850311,43.67987379,44.1140453,39.16215367,46.33047465,42.07521771,47.02334703,44.90380078,45.93058566,"HMDB0031199","2M+H","C6H11NO",42.3,-0.659296327,"2,5-Dihydro-2,4,5-trimethyloxazole"]
["1.96_439.1598m/z",439.1598471,1.956266667,"neg",16.20303811,23.39617345,54.40586441,34.46556464,36.6949188,23.39298111,52.42430576,39.78050981,19.87602095,17.09963379,31.06412431,25.25865339,55.01412702,19.23297693,31.59412475,23.24109096,34.47937732,52.00872004,28.53741982,44.94228649,41.2545801,33.44160198,52.17299123,24.23452614,29.35589695,30.19718847,32.43751603,30.00329086,30.73672476,31.95565299,28.44419232,29.85037254,"HMDB0035045","M+FA-H","C20H26O8",42.3,-2.850622725,"Gibberellin A39"]
["2.97_263.1277m/z",263.1277439,2.971883333,"pos",10.49115213,8.994058684,12.41536204,7.729492735,8.106437009,9.081528189,11.80914687,8.028117865,8.437952122,9.99428954,9.657931293,9.247692699,9.52900179,9.432637771,8.799608575,9.091949899,9.50760839,14.39134645,12.04516293,10.6457233,13.81570238,11.17332645,13.16178949,13.7644288,10.463205,9.658923995,9.546097292,9.339969428,10.1825797,11.23368776,9.588374622,10.3438661,"HMDB0039497","M+H","C15H18O4",42.3,-0.158509516,"Dihydrowyerol"]
["1.83_444.1993n",462.2327227,1.83145,"pos",59.33267362,62.29878996,131.818143,89.04256084,83.85668046,59.81715121,122.8814757,79.60772917,94.53821782,75.22722025,91.35256524,84.89897465,99.58596938,82.46319414,93.00335631,92.40537651,113.3612163,170.3290513,140.8081314,153.6998106,149.5710265,115.2816886,173.706768,119.2800278,89.84556797,85.5386735,86.34112042,93.72898505,92.91994943,95.66946297,84.53335018,82.17847074,"HMDB0040532","M+H-H2O, M+H, M+NH4, M+K","C21H32O10",42.3,-0.478602167,"Cynaroside A"]
["9.05_339.2167m/z",339.2167174,9.054683333,"pos",56.18805383,41.65815249,38.21180565,45.77153963,64.89525086,39.10058053,35.84013191,48.32761551,18.7425199,29.52357011,64.20960605,58.13824417,44.44188275,27.39650179,62.91210044,59.50202182,15.13180803,18.23808371,33.689251,22.82586907,15.25577263,13.80531714,20.89414976,31.74198142,48.866235,46.24253482,45.17597382,42.03317585,42.28763774,41.89378796,38.54333339,43.4520671,"HMDB0041044","M+H-H2O","C19H32O6",42.3,0.328056407,"5,7-Megastigmadien-9-ol glucoside"]
["12.53_627.5547m/z",627.5547117,12.53405,"neg",0.40202167,3.7170948,1.599334661,2.174846494,4.147365063,5.12957696,1.982424363,1.100347933,7.831663692,6.930486957,4.044546126,5.247724885,1.646875693,7.304468986,3.676768794,3.422327849,6.984909549,2.153442115,1.881949545,5.666860156,0.681347553,7.501870237,3.501385992,1.722051793,16.15441771,20.68765991,24.19702744,17.57916525,18.59899939,17.73552102,22.94074006,13.55308579,"LMFA01050072","2M-H","C19H38O3",42.3,-3.503306076,"19-hydroxy-nonadecanoic acid"]
["7.38_274.2741m/z",274.2740892,7.3815,"pos",314.9595436,317.7613124,400.0779657,362.5220752,250.1185645,303.4976452,368.8989364,373.6962775,288.7807491,470.3094157,291.9706681,285.0383289,360.4525895,487.7270758,279.746357,267.673193,368.7965033,304.93734,238.1351679,271.4147889,234.7246267,327.006133,278.1407977,260.6977263,565.2673274,540.1853698,550.8748922,550.3253912,581.9873442,555.6002712,530.6468307,540.4079004,"HMDB0000220","M+NH4","C16H32O2",42.2,0.130306979,"Palmitic acid"]
["0.97_147.0302m/z",147.0302295,0.967466667,"neg",42.9923831,36.26039594,53.74005314,39.41681085,31.34402596,38.45690243,53.64812849,41.6341277,46.66033107,43.24225741,44.33286995,45.88568356,39.97622141,41.23497815,42.5283487,48.40863616,42.24630743,49.84892646,50.76102836,45.49817236,51.47721689,39.23127166,46.9299634,53.10444693,42.19670678,41.21476814,40.40786383,40.46274074,43.75118704,47.58339884,43.61832659,44.64380201,"HMDB0000539","M-H2O-H","C5H10O6",42.2,2.002707775,"Arabinonic acid"]
["1.74_118.0645m/z",118.0645458,1.7402,"pos",182.305528,155.2591423,185.6429492,139.17452,153.9833108,140.0577613,205.5649239,141.7588013,166.9485429,152.2099584,141.4678419,146.7332666,199.7410989,135.4486513,154.2096512,132.3398718,211.1331436,199.9671467,184.0970671,197.3618374,182.1727861,206.4795872,201.1608211,168.4388771,152.8159129,158.8978169,177.3579589,183.979183,195.1755612,199.645578,184.5949805,193.6743458,"HMDB0010715","M+H-H2O","C8H9NO",42.2,-4.293263148,"2-Phenylacetamide"]
["6.43_243.1832n",226.179926,6.432666667,"pos",348.4896896,228.1060817,403.268659,320.2541133,224.9286854,237.2460769,451.0009062,755.7827115,284.8785363,327.8354399,233.4881038,470.850814,215.1827402,358.9490757,236.6047217,456.2162283,319.6945114,382.5504798,282.0632493,297.059521,369.2147091,307.5167685,395.7779737,317.6434981,432.668772,435.6968824,436.1079517,575.039045,838.2597714,905.33068,816.7430189,839.5839964,"HMDB0013286","M+H-H2O, M+H, M+Na, M+K, 2M+Na","C13H25NO3",42.2,-0.943363226,"N-Undecanoylglycine"]
["9.80_985.5114m/z",985.5113873,9.799516667,"neg",203.6957831,96.53680358,97.03962748,129.4667614,99.94172206,89.92690898,93.70573032,132.3779637,37.42409864,48.33439596,112.1806499,121.7344838,112.1105582,53.98576031,118.9556706,111.7485735,28.70605539,60.85061034,47.628927,80.58649511,30.48673295,24.9230961,50.24479773,53.18530138,82.64191652,88.22468175,84.89731362,91.54043443,86.09951804,80.92859096,87.6032453,79.84396647,"HMDB0014757","2M-H","C29H31N7O",42.2,0.655299504,"Imatinib"]
["1.47_260.1609m/z",260.1608747,1.46505,"pos",8.353707004,16.49359632,8.27387517,5.151148039,4.825322966,17.40621539,9.065217328,5.81918291,12.66685407,2.380705857,3.606285792,3.707661797,2.144743933,2.637154947,3.449850347,3.902307046,1.765605542,0.593244464,1.004767026,0,4.642079177,2.339449669,0.533171393,0.948343547,4.588424805,4.121419608,4.044112682,4.670081768,4.645340541,5.346901546,4.028232777,4.729899554,"HMDB0028800","M+H","C11H21N3O4",42.2,1.51320286,"Glutaminyl-Isoleucine"]
["3.94_550.2862m/z",550.2862485,3.93725,"pos",3.480065251,2.31189473,10.18600434,3.264172495,2.352043155,1.267494752,8.394970396,4.347700743,5.913928249,2.428102929,3.198188444,5.551252386,3.895044979,4.166520216,3.36671075,6.075095744,6.082773841,6.155653624,3.676600465,1.914558106,8.178846001,4.863749466,3.817974775,3.872193942,4.363629688,4.761372024,4.533621161,4.75280202,4.866115613,5.971934524,2.439044524,4.672540691,"HMDB0029005","2M+NH4","C13H18N2O4",42.2,-1.674242464,"Phenylalanyl-Threonine"]
["14.72_606.4833n",645.4581584,14.71923333,"pos",1186.190506,1209.807435,941.119176,1239.749959,1869.382688,1399.173545,1072.027357,1393.177813,1083.266456,1058.557905,1355.046291,987.189003,1042.917412,1264.599416,1445.550196,1337.510709,600.7507914,775.6289816,1026.80231,849.6466246,841.5393338,827.754606,847.2739463,1061.369041,246.5113602,869.0344245,771.036807,436.4986265,530.5359779,746.9894726,749.7447603,935.7461,"HMDB0029959","M+NH4, M+K","C37H66O6",42.2,-4.300779677,"Asiminenin A"]
["9.78_305.2109m/z",305.2108601,9.784366667,"pos",205.8630804,123.5177281,126.6520826,176.1018308,142.9072213,122.9289399,124.7098759,174.673493,88.43795727,102.4104512,139.5226764,125.0455446,137.5077255,103.9142542,129.1598951,124.5364867,53.22782668,109.4343851,115.6950979,103.0130196,60.82869746,53.8053997,91.9953826,107.2643137,129.8035081,120.2583884,122.8956581,120.3841165,126.6697434,123.5206773,116.5365371,119.4887464,"HMDB0031464","M+H","C19H28O3",42.2,-0.858281024,"cis-[8]-Shogaol"]
["8.02_220.1097n",203.1064579,8.016683333,"pos",33.06150444,24.84855843,47.72670739,52.47459035,25.91020872,25.12683445,50.79740285,49.64480606,49.81041287,48.9293785,26.75014045,33.43890829,54.2230574,49.45182303,23.6246488,38.23838294,38.69673799,37.51730686,41.98833739,51.40334469,50.76050904,40.2273805,42.60221767,38.92300121,46.69993025,44.29728494,40.28157581,45.20418324,48.03140894,49.99458766,41.50898534,40.98686167,"HMDB0032589","M+H-H2O, M+H","C13H16O3",42.2,-0.900614628,"1-(5-Acetyl-2-hydroxyphenyl)-3-methyl-1-butanone"]
["1.50_503.1399m/z",503.1398994,1.499283333,"neg",3.318678223,9.421322937,11.41962191,6.63049067,8.067096792,10.30647511,10.89096701,8.315638869,4.187510797,2.868458267,7.092965224,2.236592826,8.950334506,1.934077418,6.917414344,2.477639459,6.369339261,2.736031013,6.477010203,4.704628612,9.98318226,6.000814306,4.073788842,5.075109083,3.818304076,3.427820095,3.994135915,2.959718884,3.216871557,3.407571674,3.871139257,3.603777437,"HMDB0035486","M-H","C21H28O14",42.2,-1.447563341,"6-Caffeoylsucrose"]
["2.93_389.1207m/z",389.1207177,2.930383333,"neg",8.196856066,11.11913501,24.27673626,13.90576452,23.04288563,12.74016416,23.34646162,15.50055082,5.721002705,4.30711676,9.078804445,6.338293698,13.26766799,5.327641966,8.044291672,6.569536134,9.256876291,16.93655089,4.875648965,10.70173578,7.36578959,9.987900248,14.56046841,6.695422067,10.81793122,6.945441481,8.540875044,8.218189728,7.424224813,7.079555566,7.535463652,6.12011396,"HMDB0039126","M-H2O-H","C16H20N6O7",42.2,-1.931075856,"Wybutoxine"]
["8.14_337.2020m/z",337.2019923,8.144283333,"neg",6.793624001,8.212041312,9.973937078,6.887062711,12.62391888,4.95894198,5.192524796,4.976871364,0.458859685,5.823941907,15.29439268,9.046873261,12.10098761,8.980793733,15.19009246,10.64706024,14.25627498,8.935752746,20.48497346,12.13427964,8.80970182,9.494747989,8.147206177,19.99210169,10.4277255,8.029249617,10.24544263,8.982905922,13.22505047,9.012499192,6.769541944,7.347949649,"HMDB0040566","M-H","C19H30O5",42.2,-0.163482485,"[6]-Gingerdiol 3-acetate"]
["6.12_483.2348m/z",483.2348278,6.11855,"pos",45.90051263,35.46495298,27.27814433,43.91316664,38.15755179,33.70884887,25.24323424,43.86907754,30.06841851,29.3476849,33.20216091,34.42541045,24.17030053,26.83451778,29.36749945,33.93412031,18.56026616,23.14775409,25.33277719,24.67775885,16.23842212,18.565214,20.80428777,22.67893351,27.2415468,30.49714639,26.0525441,27.50283157,32.16979637,31.75132655,33.18446046,27.22634606,"LMFA03010187","M+K","C23H40O8",42.2,-1.459654165,"1(3)-glyceryl-6-keto-PGF1alpha"]
["11.53_495.3314m/z",495.331409,11.53476667,"neg",94.76307876,61.47955816,32.51377322,75.79776498,86.01932947,52.61691441,52.42750705,69.68852611,41.71466493,53.97167215,53.16834605,44.49716628,55.19805426,48.60741106,64.79575185,40.13308595,25.76189739,51.40331894,45.88054151,48.72292867,8.574204392,22.96402529,35.50742869,38.00240416,47.90795171,58.97353417,41.37033014,44.1431838,57.09070571,41.93108729,52.72210188,56.67696159,"HMDB0000601","M+FA-H","C27H46O5",42.1,-2.92775629,"Coprocholic acid"]
["13.45_270.2559n",271.2631354,13.45063333,"pos",6268.975402,4881.946265,5041.703673,5594.915622,4913.998978,4675.437927,4877.191,5429.120784,4139.691304,3467.666313,4394.142874,4018.588402,4444.270636,3421.25583,3732.257845,4304.938067,2225.337551,3533.880652,3813.368397,3249.575785,2902.64503,2100.281472,3380.274314,3677.134696,3709.004305,3885.915933,3552.24665,3712.287469,3363.810282,3905.425503,3539.220336,3774.820337,"HMDB0002259","M+H, M+Na, M+NH4, 2M+H, 2M+Na","C17H34O2",42.1,-0.079000047,"Heptadecanoic acid"]
["1.35_364.1243m/z",364.1243139,1.34795,"neg",43.36439016,24.26955721,63.42066906,62.77597545,31.66628521,23.16583894,70.77300923,67.51350658,22.72129563,46.2306043,33.5697155,43.04391398,49.12714956,45.80657187,34.67329223,42.87071557,31.63974953,74.05781063,38.72349538,64.62241364,23.35290159,29.82530522,78.05654673,36.87555992,34.72481106,36.52741558,37.54831362,33.11059854,32.66208528,35.7973265,35.87148267,38.43128349,"HMDB0006575","M-H2O-H","C14H25NO11",42.1,-1.580731245,"Lacto-N-biose I"]
["19.28_462.1460m/z",462.1460141,19.28221667,"pos",112.2210108,95.43731067,115.0983786,96.91514993,96.00069336,94.66774234,100.3710238,103.6818547,102.9783827,96.14996687,102.9827436,97.74147338,94.64777013,99.70230573,92.60476306,83.04574408,114.3837755,133.5955306,107.0218039,137.7389033,125.0143344,114.6853445,128.4200678,112.584247,125.8393899,104.3295429,119.5356661,118.865377,108.7799151,123.6486545,100.9908257,93.76750261,"HMDB0015194","M+H","C20H23N5O6S",42.1,3.975272069,"Azlocillin"]
["3.65_641.2651m/z",641.2651363,3.649833333,"neg",19.62859119,14.3250684,14.76211615,24.07105881,28.83159044,15.66816938,14.28535101,24.54273407,12.21264719,25.99426118,28.40755074,56.12470063,29.54165983,28.66133634,34.94134936,55.52163126,60.68727649,60.39786901,49.10838315,46.34931538,27.71120083,54.44666132,55.7153723,48.16436442,33.26239268,37.09468998,35.89046965,32.64476156,35.57597858,35.04945303,32.61698867,33.42249764,"HMDB0030382","2M-H","C20H19NO3",42.1,-0.89397839,"2-[4-(3,4-Methylenedioxyphenyl)butyl]-4(1H)-quinolinone"]
["8.76_485.2528m/z",485.2528042,8.758466667,"pos",184.0340716,63.34295752,70.96320052,127.368197,86.9594594,63.28354041,62.35530676,131.5997893,30.3785603,54.98939575,88.99574512,77.62467967,80.49414316,62.18225303,82.44838406,75.91866008,25.58121346,61.14134957,58.00165043,72.5819673,25.79156123,29.70346393,63.53541269,61.68312749,88.95730026,83.60176226,74.86252269,81.46115516,88.97472098,84.23042601,77.75796016,81.50023823,"HMDB0034339","M+H-H2O","C28H38O8",42.1,-1.14620818,"Ixocarpalactone B"]
["2.47_224.1410n",207.1377223,2.473433333,"pos",50.36302094,48.25539936,101.3094923,65.79038637,61.07699089,52.41293197,104.8865535,68.90439197,73.20024329,95.20402739,61.44415708,51.28589198,84.45735511,95.5632187,57.69608654,52.2447007,76.36817209,88.57906868,100.5222878,81.78936868,89.53681922,70.84834775,93.48483733,103.8355138,69.6428201,64.25830973,61.41856378,76.06357983,67.40678287,71.22004281,70.99192973,72.19568834,"HMDB0034564","M+H-H2O, M+H","C13H20O3",42.1,-1.043829712,"13-Oxo-9,11-tridecadienoic acid"]
["8.75_269.1746m/z",269.1745644,8.7485,"pos",9.847745348,6.478255338,8.370710676,7.375255128,8.015101782,6.261467486,10.2455279,8.446626596,9.454647028,10.44103384,8.835201307,8.579551032,14.12804379,10.52656973,9.565357577,9.46594416,16.06410284,18.63722102,11.99205301,19.67824968,10.7884335,14.33605496,19.49477713,11.52032511,15.16696503,14.96743182,13.79273432,13.8640409,14.69665167,14.97035375,14.17455264,14.94693054,"HMDB0036150","M+H","C15H24O4",42.1,-0.638646241,"4,11,13,15-Tetrahydroridentin B"]
["0.92_176.0913m/z",176.0913061,0.917966667,"pos",15.11146995,13.86218126,24.9782316,21.39431765,15.35563303,14.23999637,23.12576284,20.88794122,20.50127152,22.52101932,18.12607859,22.6862924,19.67847155,22.17487302,18.38031528,22.73747498,26.28747658,16.81583026,21.40647406,18.43628514,25.14235032,26.23142103,17.63991921,21.21975597,23.08393857,22.26210073,20.44994615,23.06104335,22.17094843,23.39183013,21.48639361,21.22651247,"HMDB0036380","M+NH4","C7H10O4",42.1,-2.709290849,"xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one"]
["9.17_411.1463m/z",411.146308,9.165216667,"neg",50.63041139,74.12264404,53.89583738,68.64270638,82.03235783,77.94261716,51.9134946,77.19042028,97.90599807,80.26017205,87.7108468,116.7518293,54.25013743,78.61970227,87.66472779,122.6133663,91.50885043,49.67880401,67.63728491,40.6504471,87.14146978,83.04318211,48.38492751,71.44427434,67.25479852,71.78286204,75.18440343,80.05728171,75.35968898,87.0646141,70.0080014,78.13823377,"HMDB0039610","M+FA-H","C22H22O5",42.1,3.772702776,"Curcumin II"]
["7.90_476.2762m/z",476.2761558,7.901866667,"pos",73.15501272,154.8528989,105.533647,79.88447088,135.8357134,147.6716649,97.01887945,75.7875995,150.8655094,130.032195,112.0292302,124.5304486,125.1283653,120.1291773,112.0242588,128.5068682,176.4376503,84.34849171,133.9192892,94.03267977,228.735902,179.5357322,76.42560934,118.0189622,136.5742037,135.3647843,136.781605,130.2235998,141.2757794,142.5201917,128.5662266,130.7426475,"HMDB0041085","M+Na","C28H39NO4",42.1,-2.147969979,"Sambutoxin"]
["8.82_676.3643n",721.3638842,8.8249,"neg",1895.695732,2190.234328,1391.73108,2408.796771,1431.52075,2216.916394,1410.008826,2470.437494,2341.310133,2022.549214,1427.366572,2001.351711,1448.352407,1976.730347,1448.203478,2097.658776,1853.039327,2207.884785,2730.915258,2746.1306,2251.69982,1847.935232,2199.837594,2774.447462,1480.746967,1442.369152,1487.678394,1438.371954,1489.369472,1490.315549,1483.81267,1451.061462,"HMDB0041093","M-H, M+FA-H","C33H56O14",42.1,-4.049517221,"Gingerglycolipid A"]
["10.77_493.2556m/z",493.2555875,10.76598333,"neg",93.83220125,113.8362184,60.1398243,96.76081209,68.90203702,113.4891614,53.94620563,97.81153646,85.34557955,119.1224949,73.17995342,95.18117706,87.39469369,113.6177161,71.95512284,97.18987178,68.46463966,114.9955081,120.4778701,159.4055576,96.60347564,80.69430616,117.0294841,121.3111919,91.50352729,94.13799319,77.51018115,82.30904743,82.12389145,81.2995541,77.39705008,82.68903496,"LMGP04050019","M-H","C23H43O9P",42.1,-3.248578378,"PG(17:2(9Z,12Z)/0:0)"]
["9.95_596.2952n",579.2913706,9.947416667,"pos",2428.506458,2958.452273,2665.965226,2596.945094,3049.871452,2860.06008,2567.920213,2424.102316,3810.143792,3104.584088,2565.212875,3176.937778,3277.709431,3057.351856,2365.624482,3093.572586,4376.25155,3611.703363,3754.731981,3309.64006,3969.566971,3966.709045,3211.509343,3579.580317,3566.258963,3523.762032,3352.219941,3195.584914,3193.992097,3124.030969,3024.750437,3012.454159,"LMGP06050010","M+H, M+K, M+Na, M+NH4, M+H-H2O","C27H49O12P",42.1,-1.643797911,"PI(18:2(9Z,12Z)/0:0)"]
["2.83_206.0825m/z",206.0825339,2.832216667,"neg",19.41413507,17.01895403,32.26343218,22.16911436,20.45545564,16.67491809,35.59191199,23.37782049,25.64962083,21.35113383,22.9280243,23.08214282,27.80844226,22.96911972,21.52498694,25.71197332,23.63583963,31.72558085,24.52540948,27.21292833,30.82974673,26.57147121,34.48421398,26.63269222,21.76479323,22.31256154,23.5314172,20.91878291,21.97294205,22.95039869,25.08083258,25.03423367,"HMDB0000512","M-H","C11H13NO3",42,1.289785051,"N-Acetyl-L-phenylalanine"]
["0.93_176.0550m/z",176.0550206,0.9284,"pos",2.091572877,1.672440832,2.609336715,1.846598354,0.8024889,1.154303884,2.393435276,2.149107222,1.056358794,0.621267213,0.927726434,2.036746443,0.331288319,0.993885905,1.442976788,1.756586321,0.288878613,0.68647958,0.276927356,0.561785547,1.005134338,0,0.510713863,1.049944605,1.833611482,1.042754064,1.002936121,1.232113401,1.668933318,1.632433483,1.048430159,1.215265987,"HMDB0000812","M+H","C6H9NO5",42,-1.875071684,"N-Acetyl-L-aspartic acid"]
["0.73_78.9591m/z",78.95910366,0.732483333,"neg",2197.570129,1847.485067,2321.867794,1877.730322,1770.254419,1860.146816,2415.365302,1896.634091,1934.281443,1922.060027,1736.63168,1780.189175,1837.72973,2029.239091,1804.890111,1761.348759,1843.37212,1989.833028,2041.182573,2141.064601,2309.193266,1714.186718,2108.734113,1919.8647,1914.809004,1809.539382,1823.749384,1837.687615,1910.193899,1987.753655,1879.867437,1977.866417,"HMDB0002142","M-H2O-H","H3O4P",42,0.506026037,"Phosphoric acid"]
["3.31_561.1252m/z",561.125204,3.306516667,"neg",11.88709068,8.287466237,18.05089491,20.93315586,7.095421876,8.688464406,19.82296054,21.26557207,16.71334907,12.37849071,15.50479054,25.97356045,13.38371909,13.08560486,16.9973576,26.26384682,30.351424,15.53970125,19.49845335,7.551098523,17.74854364,28.99661778,13.98667597,19.2609887,17.19301525,14.38477079,15.37799128,13.83444512,14.62712674,15.34400217,14.08583443,15.07692504,"HMDB0029279","M+FA-H","C25H24O12",42,0.435779544,"1,3-Dicaffeoylquinic acid"]
["14.29_593.4760m/z",593.4759584,14.29363333,"neg",182.2639163,115.6229128,48.18519859,111.7406071,124.4328144,108.9787811,44.00028002,111.6332636,88.93699744,121.9364997,107.2833059,111.7135434,80.05565985,110.4944365,118.4530772,104.9476383,62.59417045,90.66444976,73.41574039,81.41486732,42.87591579,60.2004093,83.80372382,67.05354645,85.57020033,87.46169382,90.46137891,85.32616078,85.02246367,78.88668182,93.39870175,88.77525379,"HMDB0031168","M+FA-H","C35H64O4",42,-4.931813672,"Cohibin A"]
["13.53_699.5260n",744.5245432,13.53116667,"neg",1885.121278,2074.460291,2022.646052,1991.19405,2165.292913,2022.18787,1942.277665,2008.181951,1263.394964,1980.293343,1849.589403,1465.547987,1965.660892,1992.677558,1859.574828,1463.06395,1660.937722,2128.261372,2067.578847,2247.688684,1707.404461,1814.671688,2245.342058,2016.259647,1361.587909,1412.842933,1554.354225,1477.956848,1518.005848,1545.209434,1485.729359,1636.351329,"HMDB0031983","M-H, M+FA-H","C39H73NO9",42,-3.61038993,"Lucyobroside"]
["14.08_464.3728m/z",464.3728112,14.07601667,"pos",2587.392245,2324.050498,2598.740784,2289.775649,2154.055235,2247.289965,2604.664344,2201.602887,2399.461308,2428.919577,2384.781631,2255.033271,2581.815178,2419.83335,2346.380294,2179.998364,2926.836799,3044.809413,2946.631614,3304.943528,2896.878732,2765.458707,3083.292774,2918.743132,1958.011791,2484.195236,2707.726494,2154.407411,2193.071929,2317.502262,2486.321836,2544.911446,"HMDB0032875","M+NH4","C28H46O4",42,-1.398662794,"3,5,9-Trihydroxyergost-7-en-6-one"]
["3.30_523.2747m/z",523.2747456,3.296883333,"pos",1.962573027,0.96995607,2.089037509,3.473310118,2.131716182,1.238172315,1.61842405,2.617329584,1.028200712,2.430201888,1.596273194,1.619941206,2.019289564,2.499390103,1.38790901,2.672111382,1.715695509,6.805698737,2.088147562,6.752436727,0.62084073,2.457186553,4.838134746,1.830045703,1.791911818,1.595375134,2.546196296,1.823882978,2.008515339,2.664838383,2.807026035,1.289903763,"HMDB0034750","2M+Na","C11H22O6",42,4.493566836,"Isopentyl beta-D-glucoside"]
["12.45_381.1724m/z",381.1723846,12.44671667,"neg",200.5718399,267.2850532,211.632562,226.7965857,350.8235907,261.6509209,216.9411476,229.4939131,342.5245473,287.1245428,290.6138157,256.931103,226.117768,284.896264,303.030666,273.2687333,279.7850326,212.5506885,220.6703424,267.8042008,279.2843336,278.751305,241.2714476,234.0030273,271.4993069,274.9518275,270.6042657,286.1508645,280.9266496,285.1942558,275.1741768,283.3446662,"HMDB0035689","M-H2O-H","C23H28O6",42,4.090908438,"Melleolide"]
["8.91_309.2066m/z",309.2066377,8.909733333,"neg",2596.141246,3580.346633,3188.468865,3000.166237,2551.464306,3690.362403,3181.362467,3029.207058,3710.390503,3022.076919,2641.108169,3074.119734,2729.054176,3015.11124,2736.26016,3126.355101,3019.255814,2566.996158,2457.44663,2551.806677,3350.706157,2981.249416,2618.877418,2437.900222,2787.216869,2667.09927,2708.048474,2715.791287,2869.849784,2878.79988,2856.921313,2798.982177,"HMDB0036153","M+FA-H","C17H28O2",42,-1.874714545,"Shyobunyl acetate"]
["6.51_202.1433m/z",202.1433349,6.509216667,"pos",0,0,0,0,1.150678317,0,0,0,1.03139007,6.633504779,3.564770764,3.386847894,2.699045625,5.948408384,4.167248844,3.091770269,0,0,9.377614975,0.880469275,0,0,0.287533192,13.37591308,0.941850051,0.35467923,0.648835514,1.263216355,1.298505161,1.176567304,1.255145503,1.114548762,"HMDB0039052","M+NH4","C10H16O3",42,-2.362881907,"(4S,8R)-8,9-Dihydroxy-p-menth-1(6)-en-2-one"]
["1.50_772.2286m/z",772.2286393,1.4978,"pos",40.29980542,18.14062775,18.57726031,15.69839676,13.49827059,17.93969877,20.24889365,19.09284201,32.62042825,52.80111396,4.417584043,21.43852739,25.5171053,58.29906788,8.024723414,24.41127001,9.714451507,70.90389604,34.19599146,41.99536585,43.50961051,11.74248944,67.98103259,31.00446074,23.74772469,24.77059995,23.27919489,24.30709183,30.14425059,32.67826202,30.61128905,31.26777299,"HMDB0041357","M+NH4","C33H38O20",42,-1.100272741,"Kaempferol 3-[6''-(3-hydroxy-3-methylglutaryl)glucoside]-7-glucoside"]
["0.91_191.0206m/z",191.0205993,0.91365,"neg",953.1205167,1031.038022,1936.799637,1070.93112,1451.833059,1045.923374,1931.57805,987.332999,1075.933948,1276.747236,1134.434572,980.9482341,1332.182207,1282.520283,1175.717634,925.5017637,1173.948028,1181.271094,1361.395614,1109.112757,1441.969967,1297.861234,1205.033791,1372.976078,1120.546699,1042.199563,1120.28483,1135.237227,1060.306755,1253.295981,1099.15766,1143.08602,"HMDB0041862","M-H","C6H8O7",42,4.547198374,"D-Glucaro-1,4-lactone"]
["2.59_202.0510m/z",202.0510044,2.594566667,"neg",0.13591225,0.219139465,1.341124393,0.960408763,1.91925019,0.104970963,2.128119714,1.698633197,1.160550107,1.321596295,1.671276366,1.773393217,2.101579534,1.915370139,1.651966598,0.580550459,3.056079473,1.850684779,2.773366405,1.995660041,3.00875476,1.8585539,2.842885811,2.174699731,0.944432964,0.960945752,1.610274437,1.707054391,1.968559253,1.037700518,1.281979011,1.58476255,"HMDB0060484","M-H","C11H9NO3",42,0.185702287,"Indolepyruvate"]
["7.58_734.2240m/z",734.2239891,7.5753,"pos",65.5772365,47.55086378,42.29383502,56.53731723,30.70117994,42.77282876,43.14359769,56.53681477,36.72773458,72.01200367,35.78051952,54.81872065,53.36545911,68.83611336,37.77552301,52.01395657,46.8670199,51.55839161,42.29809919,62.677426,41.72003716,38.6190073,53.26969719,47.37243648,57.62366857,51.6943629,57.63910454,48.8385429,47.62678855,43.37121692,39.35359754,37.91660268,"HMDB0060787","M+Na","C39H37NO12",42,4.489115795,"6-Methoxy-2-naphthylacetic acid"]
["13.12_294.2556n",295.2628991,13.12278333,"pos",451.2506372,1072.11108,652.6480688,537.9481416,578.9967229,1044.652642,623.8311618,484.9597809,825.8107753,531.1250571,604.6528762,566.7440226,548.5195389,517.6339173,584.0333521,610.590091,655.9648182,411.9381432,697.4632705,414.9586796,941.852632,652.0786577,382.1590663,627.9822649,438.5137199,520.9641853,528.2193744,490.4297624,489.6761937,521.9959402,500.8475167,494.5413166,"LMFA01030503","M+H, M+Na, M+NH4","C19H34O2",42,-0.875539718,"18-nonadecynoic acid"]
["11.40_414.4296m/z",414.429565,11.39583333,"pos",4.561977728,4.832183259,7.889768452,6.201853321,5.040531153,4.58177969,6.906968601,4.803088536,5.384637624,7.011048772,4.359893854,3.610553721,5.804644668,4.989280725,4.750367374,4.12994031,5.744309711,8.154952359,6.345365162,6.243317972,6.586128924,8.212187911,7.628962011,6.587398066,5.713922483,4.67307014,5.559704761,6.240285177,6.081437283,5.752959547,5.485287583,7.403476354,"LMFA05000518","2M+NH4","C13H26O",42,-2.501031779,"10E-Tridecen-2S-ol"]
["14.22_571.4342m/z",571.4341589,14.21813333,"neg",134.5109573,127.9445021,67.38003927,77.51040272,110.2628737,117.3383284,60.12827046,76.0815879,167.7995792,125.1211741,150.8114428,142.0898127,142.1438801,127.1552968,145.6795687,133.3197714,208.7233522,179.9127727,177.1969194,202.7423181,158.5158302,215.016644,184.2376896,181.7831794,128.3747698,137.6519226,129.8206396,133.8975589,133.8756589,116.0184032,137.1598963,140.0063567,"LMGL02010369","M-H","C36H60O5",42,-4.611349609,"DG(13:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)[iso2]"]
["7.36_762.4314m/z",762.431386,7.361233333,"pos",60.26389925,10.45431083,0,41.56088747,21.64054451,10.00425416,0,44.18901471,1.05439779,29.47445249,52.52053686,42.56107059,15.35460142,29.36171864,54.69642894,45.23122072,18.70864202,23.3718348,45.47754017,53.7626776,0,17.2165928,31.95559392,39.5731786,33.72502749,33.88893133,28.19368579,39.32294801,32.94655926,33.53398731,26.16842072,30.18875634,"LMGP03010649","M+Na","C39H66NO10P",42,-0.36332079,"PS(20:5(5Z,8Z,11Z,14Z,17Z)/13:0)"]
["9.96_595.2877m/z",595.287682,9.95935,"neg",4126.24615,5675.00455,4684.902002,4944.07796,6526.05662,5750.031203,4760.817802,4921.497756,6310.536087,5880.34825,4718.420816,6707.384285,6208.24527,6231.222239,4915.406771,6889.035268,8097.018714,6597.777956,7322.829661,6683.539683,7394.5168,8090.435619,6451.010231,7543.511951,5836.315737,5870.830816,5792.499913,5915.110843,5805.580062,6018.556415,5910.038503,6030.509884,"LMGP06050010","M-H","C27H49O12P",42,-2.021092853,"PI(18:2(9Z,12Z)/0:0)"]
["1.66_203.0828m/z",203.0828093,1.663266667,"neg",119.9265055,106.38488,143.5964418,129.1856959,93.87044727,112.4755864,145.0640565,131.4620468,139.6170272,109.5000798,118.0296656,103.3737066,131.7430782,112.4019841,121.9319159,103.197277,274.7118826,240.9867713,179.8787567,243.4580318,104.8874007,270.2035633,242.4637744,179.8889225,155.1423715,160.868083,155.9031413,158.1840198,161.8037735,164.6579047,157.8474197,162.6416704,"HMDB0000929","M-H","C11H12N2O2",41.9,1.019465457,"L-Tryptophan"]
["12.52_742.6326m/z",742.6326497,12.51751667,"pos",23.22653458,33.84566434,13.87414687,21.46641282,21.42522227,33.65843435,13.43508233,17.16791605,42.37776826,49.00511433,41.99121047,31.98256197,46.93594486,48.53893492,46.40333594,34.37444493,82.10427874,87.42691955,49.74361727,76.8474477,70.67411952,76.92916849,91.48830838,50.30312702,69.85252662,74.86661955,68.27226927,37.19357349,76.55813998,61.43181244,58.77443589,87.54205399,"HMDB0007614","M+NH4","C47H80O5",41.9,-2.417220851,"DG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"]
["6.96_384.0506m/z",384.0505563,6.963166667,"neg",34.14618982,39.03125763,29.82808138,34.28714791,30.2509109,42.62201448,32.36524656,35.19617612,21.95517068,28.77817329,25.89356283,23.42387086,23.46799292,26.66308509,29.15388989,21.8583118,11.06472574,7.82702779,17.24941934,11.30921085,7.766350392,9.53040027,7.392756911,13.2409355,22.26819539,20.18203135,22.55059035,23.76915187,21.75408676,25.31018015,21.56440889,20.43240447,"HMDB0015484","M+FA-H","C13H13N3O6S",41.9,-0.450562391,"Cefacetrile"]
["1.64_294.1443m/z",294.1442901,1.636216667,"pos",3.767783324,9.753820548,4.640074827,2.80658745,3.402724546,10.13037685,5.445150291,4.352472274,7.171545807,1.562382161,2.147921662,1.660865078,2.251098225,1.57467607,1.621577312,1.870803917,0.78412713,0,0,0.31352687,2.470198517,0.53587939,1.021394088,0.717350948,1.943377545,2.212459782,2.22834857,2.52046015,2.233876422,1.803108779,2.080613688,2.345121171,"HMDB0028804","M+H","C14H19N3O4",41.9,-1.850521998,"Glutaminyl-Phenylalanine"]
["3.88_333.0928m/z",333.0928462,3.8845,"neg",2.341699591,3.900471926,3.082665863,3.246119757,3.638505396,3.495690605,3.492918966,3.329361753,1.759726803,2.191910715,3.274255348,1.237288313,1.486546796,1.585816516,2.647421304,1.086317301,0.903157867,0,0,0.023421575,0.209802653,0.18943298,0,0.594182236,0.769083513,1.845833465,1.642705947,0.95462073,2.147848281,1.270013979,0.875434838,0.890803669,"HMDB0029404","M-H","C12H18N2O9",41.9,-3.315063884,"(S)-a-Amino-2,5-dihydro-5-oxo-4-isoxazolepropanoic acid N2-glucoside"]
["8.87_487.2685m/z",487.2684615,8.874416667,"pos",852.1924281,508.3578889,581.8099494,650.1907948,568.5279811,462.7895161,509.1949429,647.4450718,304.9642804,246.5024635,588.9155555,602.5100497,493.1563622,264.9767817,541.9579264,554.3081617,188.7209491,279.9427677,277.7873045,338.5343238,204.6082305,183.1328057,279.0423876,278.4567072,496.9278411,526.7541158,479.7227693,456.84769,524.2844043,477.071126,467.9148547,474.0926247,"HMDB0029618","M+H-H2O","C28H40O8",41.9,-1.127327146,"Macrophorin D"]
["2.45_177.0544m/z",177.0544151,2.4519,"pos",10.48720012,10.27065124,12.12199214,13.06133335,6.410198551,11.78107434,16.20866115,15.86072027,13.20500519,3.444258129,37.55718189,19.71114896,10.8890224,3.146371946,33.89144773,19.30616828,47.32282808,15.47796778,15.64389611,8.892449838,25.90725266,51.79875441,15.70137496,16.64138086,26.28525913,21.62631158,21.52178574,27.30450691,22.5396729,25.05335981,24.40722913,24.93068927,"HMDB0030765","M+H-H2O","C10H10O4",41.9,-1.058733357,"(-)-trans-3,4-Dihydro-4,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one"]
["9.47_277.1443m/z",277.144257,9.469533333,"neg",232.110378,197.1739272,236.8050009,205.9465251,183.3695273,185.8724034,226.3459245,195.5133891,192.8283222,188.4641404,202.5570415,268.6929151,210.3087985,200.4481694,205.8786876,190.0659573,210.5303247,281.1871953,235.9350344,286.5605424,214.6866676,211.1720192,271.6664417,335.8654397,214.1569323,211.3907531,213.495488,217.7328779,228.4560937,219.7101006,218.1110809,234.4225383,"HMDB0031000","M+FA-H","C15H20O2",41.9,-1.187707165,"(Z)-8-Decene-4,6-diyn-1-yl 3-methylbutanoate"]
["2.29_459.1496m/z",459.1495552,2.2919,"neg",6.783082571,2.369925828,12.78151331,10.37397458,35.59067202,2.59580312,12.74875739,12.48642215,15.8546894,22.069056,45.25005102,33.5759248,49.58411033,18.33053823,46.04253343,32.8433977,49.41563601,90.29077955,44.74979878,65.99191332,38.88584026,48.71839236,86.97927064,43.3156849,37.03219794,36.64713283,37.41787142,34.31603482,38.78151084,38.83089239,37.41372555,39.46691598,"HMDB0032134","M-H2O-H","C20H30O13",41.9,-2.602966935,"Gentiobiosyl 2-methyl-6-oxo-2E,4E-heptadienoate"]
["7.25_337.1657m/z",337.1657106,7.254316667,"neg",13.76206078,5.609642284,7.555722687,11.25643604,8.236744887,6.004834502,6.734438252,12.98710277,6.152383506,9.567998661,7.066525918,7.112057099,9.169292772,10.32299403,7.711685237,5.709106651,4.211469558,8.775509621,7.25307169,8.846874485,5.285626154,2.632251324,9.876356185,7.004482586,7.484901108,7.720907254,7.100328719,8.187565545,9.000630489,6.943965336,8.363684779,7.050254849,"HMDB0034930","M+FA-H","C17H24O4",41.9,0.165887286,"(3beta,6beta)-Furanoeremophilane-3,6-diol 6-acetate"]
["3.18_155.1061m/z",155.1060897,3.181733333,"pos",8.729174108,6.147915003,6.172283173,8.417437798,6.132791652,7.095193974,7.873769298,9.86167711,8.315430828,9.431969046,8.445541763,9.613871428,8.402646203,9.112213859,8.380058471,10.36782763,5.611988439,7.396619924,7.669643475,5.703321432,5.360478829,6.744215087,9.662302903,9.844890141,8.165058659,7.113566049,6.645519889,8.978088833,8.05170587,10.23677635,8.832180575,10.27859183,"HMDB0036188","M+H-H2O","C9H16O3",41.9,-3.291289591,"Tetrahydrofurfuryl butyrate"]
["12.77_397.3825m/z",397.3824838,12.76603333,"pos",1196.742201,1013.670076,1176.386781,980.9965369,935.3305645,997.9076417,1118.081125,866.5012533,1171.429006,953.5995753,930.8672587,821.3365001,1060.804449,930.8448437,958.866338,849.5821825,1146.660741,1416.207302,1204.065043,1325.415641,947.4719158,1022.98707,1343.017065,1148.529409,1162.149947,1256.350092,1165.843662,1120.435995,980.3732391,1109.295977,1110.277685,1103.058786,"HMDB0037524","M+H-H2O","C29H50O",41.9,-0.951290365,"(3beta,5alpha,24R)-Stigmast-8(14)-en-3-ol"]
["9.11_321.2058m/z",321.2058494,9.105566667,"pos",75.36034632,48.68586674,47.5167414,63.40643116,71.79221745,50.24107917,46.1090013,65.12117385,19.42799775,40.01973136,60.61146522,52.19559674,43.44848074,38.90481619,60.53548702,46.80127169,20.78293543,28.00755581,40.28270762,32.63321494,21.75320541,20.28849027,28.57230252,41.34473373,44.34503992,42.94540253,47.8610939,47.45384342,45.39814612,43.1083097,42.64843792,42.23433241,"HMDB0037591","M+H","C19H28O4",41.9,-0.582075705,"Oryzalide A"]
["12.16_600.3266n",601.3338561,12.16083333,"pos",1015.560048,3177.920026,2434.594099,1759.192496,2345.758287,3171.602705,2397.747369,1705.341215,3763.646599,3951.871099,2478.010715,2721.893406,3934.012466,3895.059448,2483.703631,2409.200279,6217.532764,3631.024307,4064.576502,3598.916891,7731.011825,5991.563404,3377.648027,4361.788444,3342.046715,3286.687437,3243.339951,3410.437924,3563.322207,3265.012904,3435.283661,3304.189851,"HMDB0061696","M+H, M+Na, M+K, M+H-H2O","C27H53O12P",41.9,-1.472609221,"1-Stearoylglycerophosphoinositol"]
["14.46_821.5396m/z",821.5396087,14.45561667,"neg",279.3535161,577.6880648,318.237341,194.6268878,337.7805954,494.1880488,279.3069667,193.2326446,359.4749259,148.7403493,262.1463188,157.4060024,389.772645,146.3625542,263.1337888,150.5414552,327.4465138,251.4844875,281.8097259,254.9398946,413.9529138,341.0931308,264.6579951,274.7711331,203.5005439,204.1533854,189.7588334,199.2873022,197.3617775,188.1632278,202.9748259,200.1977615,"LMGL05010024","M+FA-H","C45H76O10",41.9,-3.145722108,"MGDG(18:2(9Z,12Z)/18:3(9Z,12Z,15Z))"]
["8.33_329.3161m/z",329.3161155,8.327116667,"pos",5.501898112,5.571827781,7.371994059,6.246363127,5.142213396,6.721145095,9.222803902,5.040806811,7.095814837,8.643197291,3.673346342,7.369386625,7.722436551,8.881548781,4.704547209,5.55106572,7.275018405,7.376677906,10.69672485,11.64319105,10.25134691,7.664702777,8.037167799,11.03178542,4.160288932,5.990253896,5.531690456,8.921304642,7.392933995,11.42106453,7.060111969,8.577168978,"LMSP01080012","M+NH4","C19H37NO2",41.9,-0.447948224,"(4E,8E,9Me-d19:2)sphingosine"]
["2.84_440.1680m/z",440.1680203,2.843216667,"neg",29.80663912,17.56282005,15.10119402,19.15410408,35.68329932,17.57246287,13.54061424,21.05097469,15.1091045,26.27276504,35.29590811,32.76420568,17.15328281,28.52265226,35.90679916,33.12551477,8.663510749,13.06028994,16.27932053,15.90902732,13.06977125,9.694417787,14.45650674,19.66794431,22.06911516,24.89879419,21.05549466,23.33971434,21.76311891,20.41641951,22.7598154,21.18884876,"HMDB0001396","M-H2O-H","C20H25N7O6",41.8,-1.677198002,"5-Methyltetrahydrofolic acid"]
["12.67_401.3412m/z",401.3411788,12.67093333,"pos",67.09328943,90.60137817,41.03053266,52.16063169,51.04720255,85.5340729,42.99377767,48.60734483,38.50581818,81.72006806,48.12954934,34.57857141,41.29772217,88.87950073,42.02830398,38.43676256,33.17396285,16.75987519,41.35835029,16.81276743,25.06117877,34.03271453,13.67836337,42.31167331,38.96909993,43.58046372,42.08278196,30.34909167,45.45560698,26.23747774,43.29673098,41.29342941,"HMDB0003550","M+H","C27H44O2",41.8,-0.570137086,"Calcidiol"]
["11.87_393.1986m/z",393.1986441,11.87463333,"pos",26.10236837,56.99142611,30.20563742,21.71425509,16.85850127,50.01962996,27.88600544,17.20275892,50.02769322,17.31330963,29.04208277,21.96711017,20.10036527,14.62141738,24.00318213,18.31204109,29.3795139,14.10620817,16.08554123,11.23531798,59.54790729,28.36230594,14.20150336,17.26433996,28.92179433,28.88308807,26.5313345,18.89856769,18.83074524,15.58662337,21.75208736,22.87395033,"HMDB0006348","2M+Na","C9H15NO3",41.8,-2.601973435,"Pseudoecgonine"]
["10.27_568.2827n",551.2794066,10.2719,"pos",176.357976,96.27699395,52.70911771,108.1592611,104.0139742,99.90286489,56.85295697,102.3119294,101.5039436,86.99801262,89.96861297,110.5301894,70.6725342,85.90538761,86.3212461,105.8224223,33.28133287,61.93168626,73.42951238,86.04209578,34.99698492,35.06267612,62.5235137,69.57973698,86.58299536,88.86321346,89.72791354,85.8722145,98.22346253,95.70298958,90.71060679,93.11197147,"HMDB0006465","M+H-H2O, M+Na","C28H44N2O8S",41.8,1.508800406,"Leukotriene F4"]
["9.52_392.1725m/z",392.1724957,9.518266667,"pos",6.983091873,13.98762732,12.24272444,10.62184735,5.374223763,14.81372355,11.53760002,10.98087258,19.71457899,14.02808873,10.08365161,12.16394749,13.57198387,13.5446423,10.65047016,10.81421939,14.50593351,11.26255905,8.904362832,9.877110232,15.7217196,14.61270845,10.71050206,8.568734972,11.20725179,9.068501713,12.45714225,12.71835162,11.93090327,13.31109201,11.96693642,11.02744521,"HMDB0014392","M+K","C21H27N3O2",41.8,-2.801311848,"Methysergide"]
["11.10_425.1331m/z",425.1331148,11.1031,"pos",16.89915836,27.33026364,15.17531848,55.71703106,10.63184144,25.81165091,15.88860882,52.35555727,9.997846299,38.57442737,9.086169039,18.35618555,22.76300618,34.87778779,11.44037888,8.267388968,14.42996658,15.59404454,18.47656136,18.6568213,17.58530586,15.04132882,16.04881522,28.85754573,15.26856124,20.25007451,22.81759625,27.90482495,23.92349334,26.28408289,26.50790998,24.84533809,"HMDB0015066","M+H-H2O","C22H22N2O8",41.8,-2.742616009,"Methacycline"]
["11.92_421.1862m/z",421.1861944,11.92075,"neg",7.749319406,1.400257166,5.618591338,2.144582023,2.274520329,2.702881243,3.024046094,3.645548166,2.96275285,3.142388013,2.887730516,3.073886327,1.706838366,2.733576987,2.036818312,3.992680475,2.476621844,2.149289607,3.008513803,2.771888355,1.682435718,3.570683832,5.982851316,6.792441336,2.653596709,2.471158134,2.850082768,4.378493918,2.327221561,2.125708571,1.833871104,3.017755543,"HMDB0015078","2M-H","C9H13N3O3",41.8,4.946311556,"Zalcitabine"]
["8.16_406.1905m/z",406.190452,8.16305,"pos",6.487197386,5.647974903,7.208667716,5.793434047,2.371702764,5.344062283,7.027195103,8.367287044,5.795443836,7.693509637,4.746924621,4.945639635,5.033520719,5.813586466,2.992678094,6.139772965,5.254811526,8.023838575,6.762908947,1.62521778,4.396530459,5.793655979,4.080162053,6.250255981,3.753710076,6.721094925,7.117688761,8.219727607,4.965078046,7.625085888,5.833676802,6.196380735,"HMDB0015600","M+NH4","C21H25ClN2O3",41.8,3.236017622,"Bepotastine"]
["2.15_265.1546m/z",265.1545795,2.1468,"pos",10.24238195,18.02321196,13.81248746,8.843132286,10.37777811,19.20828116,14.06905736,9.180963241,14.31555454,4.778800346,6.161909921,6.483136951,5.681964657,4.932254882,7.356456046,5.42554002,2.538581769,1.337615366,2.699545417,2.010798928,3.962855985,2.669856468,1.806574555,2.192791299,5.814538688,6.103100883,5.598548544,7.384545567,5.089156651,6.682978931,6.588687089,5.365350764,"HMDB0029008","M+H","C14H20N2O3",41.8,-0.338635974,"Phenylalanyl-Valine"]
["11.63_257.2475m/z",257.2475172,11.63311667,"pos",81.19894365,74.4444669,44.86563421,65.91772514,55.40773228,67.41932034,31.94094089,57.92199138,85.72581651,102.3990935,83.21189218,92.55255884,72.54605777,82.3533506,77.68176927,82.8035877,126.7747278,112.3444615,70.34119405,122.2231966,132.7934912,129.8036624,117.5534959,72.5643695,344.7343997,327.1549736,354.0658888,351.4729187,300.7469591,339.8991413,325.6903616,342.9503743,"HMDB0031296","2M+H","C8H16O",41.8,0.040852261,"(E)-2-Octen-1-ol"]
["3.27_244.1309n",245.1382351,3.265183333,"pos",87.8516341,78.54185276,54.34304069,76.87922135,85.47128434,79.11598559,61.02104965,82.9931388,79.37538537,89.6263848,82.35224537,78.33855481,71.70113185,86.26913556,80.67290474,77.65366487,37.53020883,43.78743885,65.36244947,59.72772912,50.54176705,43.73090488,48.28611783,66.30965547,80.61764563,80.12710716,74.3243864,86.23088097,86.68460397,86.03598522,79.90512949,79.73131088,"HMDB0032472","M+H-H2O, M+H","C12H20O5",41.8,-0.59175972,"Polyethylene, oxidized"]
["5.47_902.4872n",885.4839066,5.469583333,"pos",3233.917,4019.881228,5547.261586,4585.200834,4170.267475,3763.030763,5029.486452,4334.374866,4528.277207,2543.720055,2344.978554,3046.709545,4370.066657,2441.467191,2170.812207,2894.886453,3723.181614,3678.37255,3566.805739,3661.789313,3249.197263,3858.585365,3457.557402,3594.784423,2801.18598,2751.650322,2600.073532,2906.467218,2855.015569,2741.17872,2674.591401,2612.837783,"HMDB0034063","M+H-H2O, M+Na","C45H74O18",41.8,-0.355361676,"Asparasaponin II"]
["2.97_442.1835n",443.1907697,2.971883333,"pos",47.22548692,48.11885692,59.40420408,48.28303212,41.0411511,45.41263761,57.37895367,44.14618191,38.00964185,52.20711332,46.55181558,45.89502835,47.82805292,48.84176778,44.43341394,44.86754474,53.27890355,66.74676767,60.33195788,55.57345643,69.81009081,57.69988416,63.12644368,54.25949876,48.83420291,48.98164163,46.98097024,48.63047083,53.35901534,49.73744158,44.14790571,47.0022726,"HMDB0034120","M+H, M+Na, M+H-H2O","C21H30O10",41.8,-0.913476702,"Lusitanicoside"]
["9.18_504.2718n",487.2685213,9.178133333,"pos",658.173099,299.9190491,286.257646,447.7228394,365.4382137,305.5759064,305.6870179,377.1681985,168.5623409,178.673014,369.9933741,392.0560807,317.4834863,182.9792127,338.6869198,377.516622,107.3477503,184.8592024,183.2333566,259.5309829,102.0501951,99.61390527,205.4050377,196.7619684,332.682244,347.855833,326.5657416,330.0568369,323.8334423,322.5829801,306.3576747,295.0419483,"HMDB0034393","M+H-H2O, M+H","C28H40O8",41.8,-1.008761809,"Ixocarpalactone A"]
["3.43_371.2059m/z",371.2059012,3.4318,"pos",13.22036662,10.58319298,23.43894239,16.10101851,13.18864412,12.15446258,23.47731216,17.03558786,14.67895267,29.76452437,14.27908403,10.26420573,19.27524939,31.51530879,15.05141988,12.46403263,19.53438996,22.24855171,16.12185789,19.82764993,11.11814508,17.46960061,22.06024386,14.94650095,19.72074376,18.5681523,18.76774216,21.4194349,19.54349377,18.57581635,16.04371193,17.74496806,"HMDB0036846","M+H-H2O","C19H32O8",41.8,-1.36134652,"Icariside B8"]
["8.02_378.1529m/z",378.1528566,8.016783333,"neg",113.4432491,85.09858858,152.9283471,165.6338507,70.50545726,74.5488305,137.3474639,163.1001138,144.9690632,136.8910398,70.8174849,145.5097679,167.8876513,158.82129,83.49626803,145.0271469,100.5803975,131.1376281,123.7214987,179.7557029,135.4100426,115.137565,139.611051,121.0290143,112.8413864,117.2763252,119.3199012,118.7548951,137.0615343,152.3951639,143.5298296,161.2914879,"HMDB0039505","M-H","C14H25N3O9",41.8,2.778907497,"2-(Arabinosylamino)-3-(glucosylamino)propanenitrile"]
["11.28_258.1980n",259.2053708,11.27568333,"pos",64.3263998,97.47336655,52.06237199,70.6776185,74.6153705,99.61190534,60.91392608,72.83438484,71.5562881,67.84712944,81.18333975,85.92452535,69.47032745,56.90708193,81.44266345,87.82821533,63.26654903,55.6362141,65.32095072,61.46719296,68.14858193,65.77511825,46.95242626,70.33509881,76.83749299,77.55546288,68.13551766,67.8408155,66.23529189,74.53309894,76.8340263,65.13246441,"HMDB0061860","M+H-H2O, M+H","C18H26O",41.8,-1.496019081,"2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene"]
["1.02_232.0831m/z",232.0831404,1.021466667,"neg",27.84445775,20.80313893,34.39195317,25.78605032,13.86861468,21.04301945,34.74580006,28.46367558,22.21030105,33.03833491,22.69473698,20.43719375,24.56850873,36.92932287,23.3893094,21.62113834,24.45813009,24.82951306,45.1588948,21.82871623,57.30610271,23.93316116,23.64426061,50.9884836,26.99701806,27.83189496,28.35308542,31.3988841,29.63377821,32.37289585,33.76093997,31.9931005,"LMFA08030005","M+FA-H","C8H13NO4",41.8,2.563471685,"N-(3S-hydroxy-butanoyl)-homoserine lactone"]
["14.41_547.4344m/z",547.4343606,14.41261667,"neg",223.9664251,185.3060602,109.1048705,167.0482422,193.5375061,156.8463555,108.432547,167.1592589,199.6292999,221.012436,169.6965156,169.484607,167.5611794,205.9740487,164.5487455,167.811308,131.7197247,167.5836228,189.9686685,139.624369,118.8718769,136.1946358,146.7048756,184.6769727,160.8565544,163.715521,160.6047556,165.3304561,153.9831965,134.1077547,170.2071204,164.9716422,"LMGL02010362","M-H","C34H60O5",41.8,-4.445328292,"DG(13:0/18:3(9Z,12Z,15Z)/0:0)[iso2]"]
["6.76_534.2456m/z",534.2456362,6.7637,"pos",2.499640428,3.748248818,5.81641177,0.587141808,17.27100822,5.177243267,6.560569589,0.305472961,9.794881112,8.778018934,16.80627267,9.238721677,10.43079208,10.64274794,16.52115847,8.068924649,19.91710133,15.20608332,17.55631941,18.15235405,24.37572616,20.37019742,12.8959769,17.3812111,13.26124159,16.5198919,15.327358,17.55063701,18.10047961,15.84639729,16.21815922,13.59575193,"LMGP03010021","M+Na","C22H42NO10P",41.8,3.486133915,"PS(8:0/8:0)"]
["9.74_481.3159m/z",481.3159102,9.7352,"neg",46.10541411,9.018818072,4.771782944,14.3806771,42.91157366,7.84765228,3.825588047,16.71487782,12.68218814,34.88498627,47.16312587,37.39494656,25.86702959,33.69958703,48.67777082,37.60641726,8.837374834,28.5374412,37.06206289,57.04762261,10.84423702,10.44596946,27.59810567,40.94023814,24.18922238,20.61657849,20.35367753,21.64130696,19.77001519,21.68663807,24.75302509,25.64234559,"HMDB0002195","M+FA-H","C26H44O5",41.7,-2.675169876,"Varanic acid"]
["14.30_739.5131n",740.5203849,14.29828333,"pos",1244.597735,508.3366452,403.8083507,193.9415328,270.5233966,466.6909258,356.1513253,174.2601262,757.4660513,193.1719924,401.376863,279.0912473,307.9935051,181.7787566,393.5172506,298.5417905,582.1249283,763.069529,370.0544729,754.6865194,364.6034846,580.4590119,758.3616277,354.1511624,271.2552536,427.4343219,452.2361149,323.2736702,351.8826198,352.2123579,412.9922439,435.5449793,"HMDB0009028","M+H, M+Na","C41H74NO8P",41.7,-2.834966408,"PE(18:1(11Z)/18:3(6Z,9Z,12Z))"]
["5.47_577.3729m/z",577.3728997,5.469583333,"pos",2320.289864,2652.29722,4192.343865,3425.681625,3205.028505,2501.991753,3861.676798,3236.613743,3252.195896,2023.223122,1624.816722,2050.496267,3381.332138,1979.942242,1493.668435,1917.397483,2514.328657,2607.589727,2660.718148,2763.354469,2170.028111,2535.477894,2481.099429,2564.749181,1962.250567,1963.230831,1800.357209,2024.595499,1975.019398,1940.293978,1905.409241,1837.572818,"HMDB0029310","M+H","C33H52O8",41.7,-1.032924,"Collettiside I"]
["2.54_687.3191m/z",687.319108,2.540733333,"neg",10.80988124,21.1453063,51.79491602,10.7537378,34.73671477,22.56236332,56.93580977,8.491822655,24.64827923,15.61601097,12.15821522,13.0099678,8.767981049,13.03755432,13.17106733,13.7117316,10.63002571,5.822779563,14.46833401,13.23289339,37.47339026,11.99542315,5.668512953,12.01260443,17.93954507,20.00817506,15.92581765,17.6377847,16.42178206,16.33149649,16.01493976,16.22321347,"HMDB0031753","2M-H","C20H24O5",41.7,2.377839136,"2-(4-Allyl-2-methoxyphenoxy)-1-(4-hydroxy-3-methoxyphenyl)-1-propanol"]
["7.85_491.1909m/z",491.190892,7.853783333,"neg",1965.849945,730.1081749,687.0866526,1271.691722,1765.524481,723.7159202,674.2144084,1277.192086,760.4807802,2068.202007,1497.441213,1116.578233,1701.460432,2015.763165,1541.831725,1150.753603,732.4957237,3029.888522,1879.273216,4038.37208,1507.261984,771.9423109,3023.593415,1905.606606,1376.782984,1404.66353,1325.247556,1390.980932,1411.378475,1411.706247,1408.688201,1418.675669,"HMDB0035859","M+FA-H","C24H30O8",41.7,-3.090057504,"5'-O-Methylmelledonal"]
["4.39_397.1859m/z",397.1859136,4.388133333,"neg",398.7984434,417.2639402,548.8589211,389.705623,579.9225488,438.0197544,583.5721412,392.8965012,429.1316604,416.8649632,224.7866404,292.9510926,965.3693418,415.1846246,221.2236171,307.9456698,319.0038507,384.5398031,297.2584524,344.3222946,407.1654145,333.3249511,407.4718457,319.0293438,348.4309573,355.6570851,344.6307122,351.272434,350.4620222,373.3006068,369.2928574,369.1744113,"HMDB0036340","M-H2O-H","C20H32O9",41.7,-2.109280751,"Ethyl 7-epi-12-hydroxyjasmonate glucoside"]
["7.01_220.1461n",221.1535625,7.0086,"pos",35.49720637,28.17066632,28.9728307,38.70934681,28.46654618,33.79133379,35.02974678,41.01557351,36.94404284,43.98881228,40.63536338,41.00902617,36.49000884,44.11099693,38.10591532,38.67758653,38.2626739,49.61916537,40.36557349,34.86392463,33.06110195,42.24471549,53.48686847,43.30586648,39.31591242,36.14355006,34.08505481,42.0099661,38.46607305,42.40691247,38.0860679,38.47562939,"HMDB0037606","M+H-H2O, M+H","C14H20O2",41.7,-1.197572375,"13-Nor-6-eremophilene-8,11-dione"]
["9.42_293.2120m/z",293.2119832,9.417383333,"neg",779.7379493,1281.805982,974.3094134,937.8369706,810.9019999,1284.761485,1001.144409,944.2055726,1120.8672,1177.297552,1044.126272,1076.755588,1022.575886,1166.588073,1099.384317,1081.230794,1058.196984,727.8505709,752.9969451,769.3572774,1177.672346,1073.017127,727.8424811,789.9351438,1019.350749,952.1756297,964.2589948,951.4607079,997.3348143,1009.518711,995.3338661,977.0148989,"HMDB0060512","M+FA-H","C17H28O",41.7,-0.947534721,"Sterol"]
["8.05_356.2797m/z",356.2797237,8.048816667,"pos",64.34927278,63.91557117,58.23590673,78.60702827,59.28240215,63.42815898,54.47321273,82.56401872,67.28574324,80.57276701,58.05252987,66.91584009,63.30055356,82.86620061,54.49931916,84.49670225,63.66828681,54.22142879,73.97962158,56.35319072,55.19993061,56.72304666,49.26435737,52.67035934,67.63255822,66.41543755,64.96931026,62.45375968,72.00972907,69.55002493,65.64862313,61.86597769,"HMDB0061639","M+H-H2O","C20H39NO5",41.7,0.505205995,"3-hydroxytridecanoyl carnitine"]
["6.14_722.4366m/z",722.4365545,6.139983333,"pos",81.34349473,32.37266558,6.898107483,22.8034216,27.76044751,32.54884775,5.299340788,26.8774151,14.62728829,69.56683387,22.09556074,36.57629496,45.05113912,65.26293202,19.09325062,39.72115121,4.436343314,91.02670338,26.13913635,40.17900083,7.933189302,7.548289985,87.33577206,28.70063887,45.70965102,49.08493096,47.69473155,50.17922186,52.33329683,47.52182319,43.04307947,42.83544503,"LMGP03010087","M+H-H2O","C39H66NO10P",41.7,-3.504311918,"PS(13:0/20:5(5Z,8Z,11Z,14Z,17Z))"]
["6.40_201.1364n",202.143381,6.400566667,"pos",0.374864149,0,0,0.334903557,5.744366925,0,0,0.747441519,4.527426524,22.26914668,13.591086,10.77201282,10.54027823,20.84269322,12.83917989,11.08505586,0,0.939395136,40.45013959,4.607766611,0,0.302621557,2.126142042,44.77882231,3.895623523,4.709941667,4.423489135,5.052583575,4.127455309,3.782605777,4.065583872,4.542452961,"HMDB0000832","M+H-H2O, M+H","C10H19NO3",41.6,-0.570534783,"Capryloylglycine"]
["1.55_267.1701m/z",267.1701343,1.551033333,"pos",3.699478682,2.412216926,0.627611545,3.840189997,1.784056281,2.463166201,2.286666788,3.908009189,1.867153212,0.347489535,5.013901908,4.431183677,2.04196167,0.793669008,5.456808493,5.402112485,6.26758366,7.261149472,4.172814688,2.763297146,5.073080549,6.989289472,5.678479217,4.024494688,4.473552959,3.647416086,4.538952252,4.065074869,4.244983835,4.494709824,3.791742618,4.146855264,"HMDB0001924","M+H","C14H22N2O3",41.6,-0.693906987,"Atenolol"]
["1.04_124.0388m/z",124.0387631,1.036916667,"pos",17.58603126,14.14376789,7.109571513,6.882268657,6.216635484,15.19262062,8.115036729,7.281389087,11.3669113,20.63747432,20.81135198,24.97082926,14.78172028,20.5817427,19.57528404,24.13679833,18.14501975,21.03817302,22.30189815,19.33122041,13.67576933,18.21484865,22.4630532,22.27878111,20.61292031,19.61161547,19.91544946,22.52505682,21.82561487,21.97791006,19.58393718,20.3045835,"HMDB0002243","M+H","C6H5NO2",41.6,-4.40302004,"Picolinic acid"]
["9.79_368.2789m/z",368.27894,9.794266667,"pos",82.19822126,57.94360336,51.18772528,74.41569612,59.20751582,63.12132408,51.42078693,75.63450188,37.37369942,45.09884061,59.52676535,57.46585985,53.32143048,48.36758194,57.8337831,58.88162155,18.07843022,44.07254974,48.95423271,38.51875523,26.75280092,18.45796622,33.97771596,44.01419608,60.77494083,53.32275099,52.57849482,53.9236303,48.0693677,46.03249401,46.98204772,46.55196066,"HMDB0013331","M+H","C21H37NO4",41.6,-1.62029571,"3, 5-Tetradecadiencarnitine"]
["1.16_345.0820m/z",345.0820078,1.162133333,"neg",3.990364971,5.250319806,4.683752582,3.692812862,5.364883655,5.541332092,7.921905803,3.377166407,11.59057905,3.137118556,5.317512242,5.486421714,8.080250914,2.708117206,4.899765983,5.070055579,7.134240136,6.827832753,5.574719094,6.75303088,6.908001907,5.137075716,5.146794251,4.748470927,5.684367318,6.002891575,4.899192586,5.059104729,4.902646875,6.705112099,6.273379831,5.791550918,"HMDB0029497","M+FA-H","C13H16O8",41.6,-2.374367574,"Dimethyl fukiic acid"]
["1.01_282.1194m/z",282.1194143,1.00525,"pos",9.071593189,13.40188096,9.123933799,8.33495721,6.048052401,13.68787918,6.101072967,6.778601375,11.72817393,4.019407773,8.063146002,5.786288833,6.170363418,5.062126739,7.591104903,6.826182743,3.232005923,1.442130928,6.644747242,2.199611457,11.25618233,2.291288958,2.786129456,7.084675972,5.697940436,5.009855454,5.533305361,6.299726616,6.56925344,8.233059977,6.659306546,7.406858753,"HMDB0029884","2M+NH4","C5H8O4",41.6,4.056702141,"2-C-Methyl-1,4-erythrono-D-lactone"]
["6.07_491.1909m/z",491.1909253,6.07405,"neg",40.40664947,0.315674943,0,21.84462949,8.21125432,0.001740998,0,18.66089201,2.455577527,16.09997201,22.41627921,28.15516073,6.61661574,20.79690881,25.50307614,26.20547759,21.82192538,77.8529631,36.7559349,59.96939975,7.562871719,25.23407237,81.21633744,39.77615543,21.13500758,18.77357399,21.25811179,23.27724579,21.47614852,20.67145455,17.36237918,18.43474293,"HMDB0032906","M-H","C25H32O10",41.6,-2.733679524,"Isolariciresinol 9'-O-alpha-L-arabinofuranoside"]
["4.82_209.1169m/z",209.1169237,4.818383333,"pos",10.78007393,11.62222907,4.985033659,12.93045333,12.68833371,13.20351358,7.431368939,9.876467711,6.374025642,8.857491611,10.07252857,12.00327449,8.295011335,8.127131766,11.31767062,9.991106488,9.998887351,7.902556977,7.787255691,8.325788099,9.039834459,11.48497058,9.775950378,8.59212302,8.080223685,9.716509664,9.372645914,12.1794331,10.70287461,12.93050927,11.55805748,10.12312782,"HMDB0034991","M+H","C12H16O3",41.6,-1.427511354,"4-Methoxybenzyl butanoate"]
["3.76_166.0632n",165.0560504,3.7575,"neg",59.15038692,40.58595652,103.0674555,79.22247821,81.27505811,41.28196743,109.6551907,78.54337578,62.70134703,70.16610711,59.29880476,99.35584969,88.05318453,67.30584503,63.90903183,103.5434581,105.8060609,113.1721037,92.01830311,96.75448366,91.03219255,107.8709276,110.8563937,97.59415709,70.83899116,68.12362775,70.37126839,75.34771507,71.90509682,75.29818497,74.48100836,77.22561845,"HMDB0034993","M-H2O-H, M-H","C9H10O3",41.6,1.400028771,"4-Methoxybenzyl formate"]
["7.30_309.2059m/z",309.2058815,7.297166667,"pos",778.2412963,729.1952508,636.9058291,743.1950529,741.6799603,696.2865929,605.1225414,733.3978392,671.5316354,760.3564031,700.6141055,778.7786863,588.3184764,768.9534148,710.5849488,773.9560032,533.8120924,565.5049825,557.0035938,497.6513882,525.926383,493.1010753,520.4822573,522.8202781,700.8916989,707.3114834,674.490702,695.7175156,743.3607654,720.0413698,677.0886281,683.1686088,"HMDB0035135","2M+H","C9H14O2",41.6,-0.500644806,"(E)-2,6-Dimethyl-2,5-heptadienoic acid"]
["1.31_549.1567m/z",549.1566637,1.307283333,"pos",1.010926504,0.630251776,3.971085968,1.778829974,2.594823672,0.832167821,2.926816938,1.040296281,3.321017743,2.202947838,3.076348411,0.713834157,2.623667475,2.504704087,3.347142758,1.072464673,10.43764059,6.067266637,2.37862329,5.944589891,3.569382483,11.78196988,5.931749927,2.848810098,2.826022809,2.011987597,1.050212003,3.418348503,2.886879187,3.085387293,3.00214426,3.05876524,"HMDB0036121","M+Na","C24H30O13",41.6,-2.276818167,"Demethyloleuropein"]
["2.29_406.1138m/z",406.1137752,2.294316667,"pos",206.9625915,77.74778228,31.06504948,144.2102379,26.68971087,61.28618923,21.95445061,137.0307355,92.66564414,114.7322784,164.5920453,204.2568591,78.7799115,105.599907,155.1852753,208.9017504,150.1277275,203.0324652,166.9303353,197.2501664,26.67457547,162.4109749,187.4722477,155.1109789,137.2147333,155.4998205,135.9559756,146.1986608,148.2656299,136.2534102,147.2075258,133.8396197,"HMDB0041787","M+NH4","C19H16O9",41.6,1.333638003,"Urolithin B 3-O-glucuronide"]
["3.73_438.2251m/z",438.2250984,3.731733333,"pos",1.187517551,3.292768989,4.492979513,4.501235479,8.524745577,4.235654266,6.570637729,5.202984688,2.414816805,10.96862543,6.957778644,6.28583514,3.607941867,10.8796225,6.612892678,7.689632517,23.10482914,13.1380472,15.51680468,11.93983954,15.94812562,20.53481953,11.98576909,12.79306703,11.621883,10.74321358,10.85533778,11.27894753,12.23548406,12.65081849,11.82739018,11.08001906,"LMGP03050005","M+H-H2O","C19H38NO9P",41.6,-0.069886225,"PS(13:0/0:0)"]
["2.27_468.2361m/z",468.2361108,2.27355,"pos",46.20899044,25.4564891,41.65842132,51.0774578,25.10236152,23.20997375,39.56790949,45.14978205,43.89817846,27.4167,30.82666401,40.69205106,23.85375554,23.97163091,28.67269326,43.3658777,37.80117238,57.17169958,32.13166291,50.55314428,30.27440956,35.92920007,50.89907995,26.38112942,41.57780933,36.31435633,36.15388719,41.53757711,35.69470687,36.34478914,41.10269586,37.67948234,"LMGP03050032","M+H","C20H38NO9P",41.6,0.890300442,"PS(14:1(9Z)/0:0)"]
["5.98_705.3322m/z",705.3321526,5.976216667,"neg",246.4429717,346.2987851,557.926565,350.0359596,295.3891083,351.1136091,574.1066059,353.3195443,383.398401,369.5690332,230.3397627,382.1868682,249.3023678,383.1662176,241.3838264,385.4696169,517.4777246,262.1725361,347.4780481,181.4591928,461.1255618,524.3952425,251.5816998,354.2546053,355.9954584,362.7342492,341.7293119,362.8620152,381.7044389,370.7267073,371.5248462,362.3048799,"HMDB0002318","M+FA-H","C32H52O14",41.5,-2.660188793,"Capsianoside I"]
["2.84_282.1117m/z",282.1117155,2.838866667,"pos",0.186955937,0.569120076,1.662492756,31.19688871,0.872839252,0.663647209,2.031909778,33.48985397,0.720464847,1.322836774,1.561987641,0.142531122,1.125737198,1.896408661,1.455519378,0.607003782,2.251946937,2.540288068,1.754913848,1.659061009,2.080317232,3.012283135,3.305425102,1.25330513,1.323674021,0.891222617,0.915173827,0.761283083,0.397185609,0.756636521,0.662124004,1.104652615,"HMDB0002381","M+NH4","C9H16N2O5S",41.5,-0.388678006,"N-Acetylcystathionine"]
["6.68_450.2783n",473.2530256,6.680266667,"pos",54.29549763,45.95974425,36.41301355,52.15956833,29.39502738,36.12805067,33.75444133,46.767881,46.40426059,35.51951624,59.69795304,88.48066884,37.07530584,40.32320914,63.25505592,84.12872198,137.8486741,71.95177933,91.62914809,52.31668793,43.94582047,116.2327785,63.85414674,93.19172085,68.03409396,66.94460612,62.87949137,60.41197537,69.26812194,68.34649704,62.9327549,68.20019934,"HMDB0002385","M+NH4, M+Na","C29H38O4",41.5,2.889994973,"Celastrol"]
["11.63_429.1929m/z",429.1929133,11.6301,"neg",80.48383695,95.51019981,49.02059236,71.11119498,90.78216571,106.5111288,56.41543167,75.43028634,105.6230862,126.4704964,117.7084639,120.2730938,100.9541803,118.657316,127.4637755,128.1489178,138.7568105,125.917144,103.4995211,148.9288982,133.6005115,133.6997023,121.6572969,92.56954943,563.6163473,581.7012042,581.3772389,598.1371575,569.6633161,568.8446567,553.3583138,545.2198737,"HMDB0004482","M-H2O-H","C24H32O8",41.5,2.312382669,"2-Methoxyestrone 3-glucuronide"]
["7.65_366.1482m/z",366.1481956,7.650433333,"pos",6.817110419,12.63419827,4.724049385,6.598883185,7.189736325,12.12047534,6.838812038,8.045293952,13.20751653,7.237572711,7.141813128,10.26367759,8.400351319,7.605894595,9.179260157,9.434064679,6.740681444,7.145825944,4.752526927,6.618159902,8.944572783,8.35430566,9.450726541,6.602608513,9.091521935,6.123861325,5.62939469,8.38452713,8.192986243,7.660153416,9.375355219,8.53686321,"HMDB0014898","M+H-H2O","C17H25N3O5S",41.5,-0.021110782,"Meropenem"]
["9.63_235.1690m/z",235.1690361,9.62895,"pos",37.30860772,23.90709376,33.30858771,27.25190185,24.37570235,25.44913119,32.35481775,24.41377832,27.0227563,25.97203035,26.30746283,25.06919758,28.42859516,25.01183208,25.13458539,24.26844198,35.59392223,35.6773018,32.03688449,39.27115874,30.97367671,31.85082832,35.94361541,37.08774773,37.59849,35.47024907,30.7018958,34.13659015,37.93429865,38.08561598,34.5999712,35.17385551,"HMDB0030016","M+H","C15H22O2",41.5,-0.940496429,"Valerenic acid"]
["1.75_554.1425m/z",554.1424647,1.750683333,"pos",24.63854846,17.19117117,26.10072229,26.64156778,9.747841003,31.02198972,16.4355852,29.4854833,19.34280483,18.06931784,45.41714759,17.27986957,37.75563504,22.6837555,24.87694182,26.49500763,58.36255477,22.90872423,39.1980453,30.66484868,44.58109614,47.00618748,20.42274811,29.89368585,43.31943786,23.43614335,18.17022341,27.10375711,24.10625573,30.88469773,38.39674667,36.85720467,"HMDB0031112","M+Na","C29H25NO9",41.5,0.588525712,"Neoacrimarine F"]
["5.60_618.3052m/z",618.3051599,5.602433333,"pos",0,0,0,0,0,0,0.017364225,0,7.719691023,2.761967579,12.49855023,7.06673964,18.09462402,1.498411126,12.63615929,6.463322132,53.0072651,33.03353925,24.99556458,22.11700052,36.58162658,50.28437913,30.06318404,21.31883877,15.95150585,16.23683289,18.14938624,16.47218293,16.99598977,16.13881045,15.48707544,13.93703087,"HMDB0033242","M+H-H2O","C29H45N7O7S",41.5,-2.628168935,"Glycylserylprolylmethionylphenylalanylvalinamide"]
["9.11_321.2065m/z",321.2065061,9.1124,"neg",53.4555899,42.07616955,37.17366941,57.59111043,76.29767131,43.9291986,38.54275935,60.97320053,41.31618748,63.83501422,83.96597962,72.15568166,79.41975519,74.46401761,86.96059251,80.47836272,95.58103441,113.8507059,105.2997484,140.5376719,57.87209849,98.32471287,104.4655502,103.0854832,68.5302495,65.30747865,67.0485909,67.83427048,62.8022203,71.78463225,69.54166539,66.85448178,"HMDB0033615","M-H","C19H30O4",41.5,-1.945734501,"(S)-[8]-Gingerol"]
["13.04_622.4660m/z",622.4660144,13.03873333,"pos",302.403335,414.8691237,216.9378077,284.829194,396.6585091,402.8879692,209.5686067,263.6733332,405.8363429,316.2898159,435.4613161,347.1169604,303.0753266,308.5297614,426.8303106,364.3864652,335.1295112,263.5035893,255.0328653,335.4344687,373.0745218,321.6005302,239.9063622,238.7645826,186.8320583,329.4619082,331.0120404,167.353457,217.9510954,200.9424548,307.1275879,318.2398681,"HMDB0036060","M+NH4","C36H60O7",41.5,-2.837984082,"Hebevinoside IV"]
["2.68_186.1139m/z",186.1138584,2.681383333,"neg",10.26942263,13.66291667,21.45453545,27.37673372,10.29560254,11.60580217,21.61506119,26.90797956,17.04391538,11.44869877,11.27770796,19.30791965,13.7605114,11.9061173,10.75578686,16.73543037,12.84929737,20.76898152,31.8305984,28.78118268,28.56643782,12.93982587,22.6783177,31.11623029,44.23253978,49.64538694,45.5657645,45.32899572,46.20458262,52.79649679,48.16492543,49.26935204,"HMDB0037790","M-H","C9H17NO3",41.5,1.557156996,"Polyethylene glycol"]
["8.60_307.1910m/z",307.1910051,8.600916667,"neg",383.8535345,448.5857145,449.1508076,413.4798551,406.5284969,471.200187,445.1478195,429.4457242,396.2754502,512.5419846,442.5782282,415.500676,394.5819866,510.8675196,452.5128777,427.1559096,485.5437653,339.4633092,382.3261348,314.0789148,442.7239747,484.5511788,344.0430017,390.0088322,427.2366387,431.1971477,428.6532766,433.5893116,436.6130805,432.42126,436.8153918,443.3596822,"HMDB0037832","M+FA-H","C17H26O2",41.5,-1.822419205,"Vetiveryl acetate"]
["5.55_345.1551m/z",345.155138,5.546233333,"neg",0,0,0,3.605419349,0,0,0,2.772486782,0,32.00357055,2.942117718,10.66844088,1.300270914,35.1252659,2.293024128,10.9763194,0,35.97774114,40.81071153,1.258763578,0,0.334563879,36.17113019,41.12125343,3.868654546,5.084080773,5.575837173,4.650083134,4.750930786,3.329191031,4.08724144,3.941955663,"HMDB0038149","M-H","C16H26O8",41.5,-1.020862553,"Nepetaside"]
["6.01_639.3368m/z",639.3367867,6.011183333,"pos",0,0,0,0.458314608,0.315076997,0,0,0.288831798,0,2.749398859,3.826529111,9.664906083,0.86605835,3.182074975,2.715758796,10.30025824,16.68212057,15.5863507,10.03915871,12.38207828,9.237661316,16.86261251,13.28514474,11.69682468,6.056503997,5.55522687,4.185446488,5.398876064,3.466399222,3.300495957,2.798535864,4.037241847,"HMDB0038542","M+Na","C31H52O12",41.5,2.740170209,"Goshonoside F6"]
["11.51_380.2781m/z",380.2780793,11.51066667,"pos",15.51963536,14.98478818,16.35075238,15.10734463,9.741232269,14.6240886,14.44246238,25.77740326,37.24904852,16.08561809,9.625049896,25.86742909,14.836347,14.71868634,12.21773465,28.49375538,20.77800707,14.9960756,11.40323291,14.98362406,8.6088967,17.83558038,15.30422009,11.193031,56.80928286,63.9301106,66.32779976,70.19157378,86.1423379,75.08901972,72.34440326,71.28921546,"HMDB0039226","M+NH4","C22H34O4",41.5,-4.018794593,"(Z)-2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid"]
["15.16_577.4812m/z",577.4812027,15.16458333,"neg",137.9042922,122.3664036,74.41929667,81.6134015,118.0060244,105.8228471,63.01195041,75.85544861,91.55792593,129.2832485,89.3878808,73.79105259,79.02123196,129.2099692,86.08397879,74.45973612,88.63289581,83.338733,85.0155771,87.77459714,52.14481635,86.72956547,76.26003446,77.95626801,77.38199915,75.77734232,80.31010348,77.17939723,73.23982479,63.22715645,78.03241022,71.68532802,"HMDB0055967","M-H","C36H66O5",41.5,-4.401316834,"DG(14:0/0:0/18:2n6)"]
["13.86_366.3729m/z",366.3729083,13.86398333,"pos",1110.769493,745.7179951,929.9195611,431.6313051,510.4666026,722.1917965,1061.538657,652.3637698,555.677667,527.2397864,568.9881618,586.5119476,261.4349643,537.4785389,496.5292181,561.2559922,894.4027205,913.2594866,1183.351208,646.0199797,753.1810346,851.1398073,980.8816148,1256.113273,596.6134398,785.5985826,784.5354726,844.8840019,1242.764125,1398.677743,1323.196658,1392.087469,"LMFA08040052","M+H-H2O","C24H49NO2",41.5,-0.347669554,"Behenoyl-EA"]
["3.19_495.2073m/z",495.2073079,3.189366667,"neg",186.2979029,288.6552476,176.2642394,196.0510706,212.8421459,291.7084119,178.649689,203.0924966,139.9204428,147.2295794,107.9312827,66.2939075,97.60509069,143.067212,110.9166005,60.13334964,8.794922319,5.245587269,21.19113292,5.98216222,9.949315908,9.736700909,4.138430603,17.86066597,86.09586028,79.55084526,78.63391465,82.93124878,77.16871757,83.32431444,83.17578766,82.42755566,"LMFA13010051","M-H2O-H","C21H38O14",41.5,-1.957953197,"2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxynonanoic acid"]
["11.54_509.3475n",510.3547914,11.54128333,"pos",1758.010148,2609.378282,2945.879272,1596.15034,1630.1074,2563.491009,2656.2845,1573.043683,2964.84906,2731.271663,2263.860609,1954.082431,3580.290313,2599.738653,2200.865667,1946.276241,4824.952174,3890.34309,2988.176768,3141.055343,4542.85905,4544.155463,3786.619345,2981.656478,2439.762348,2577.015016,2654.556435,2698.202269,2746.809984,2748.670857,2481.466188,2503.282927,"LMGP01020024","M+H, M+K, M+Na, M+H-H2O","C25H52NO7P",41.5,-1.226506931,"PC(O-15:0/2:0)"]
["8.35_297.2666n",298.2738239,8.34765,"pos",76.33514123,119.2168113,60.27989702,57.62182279,67.61011781,113.949092,56.85416282,54.49929405,79.31770123,22.77576886,63.31585016,40.00904604,46.68852637,25.24481451,67.86333409,41.68692522,34.44995745,44.31624752,38.49537511,33.42928142,84.01759763,32.85493681,36.86607241,36.0015266,47.36016621,48.3018874,46.50010613,50.05437357,56.78130407,52.97440415,51.10209981,51.26136524,"LMSP01080002","M+H-H2O, M+H","C18H35NO2",41.5,-0.681232916,"4E,14Z-Sphingadiene"]
["12.78_468.3681m/z",468.368138,12.77611667,"pos",269.6598749,315.4552339,236.079519,228.3276951,287.9969965,305.9600083,231.7244647,226.6286669,195.0811381,222.7383363,217.5237266,180.3451282,169.3810296,221.7215978,203.3138815,169.3733115,152.8644846,105.5085803,178.720279,140.3953316,188.8709876,150.8432096,103.8919807,196.9836645,189.4038501,208.892894,228.0769366,137.4764395,135.4808539,182.9121956,211.608482,226.038117,"HMDB0000601","M+NH4","C27H46O5",41.4,-0.47096486,"Coprocholic acid"]
["8.72_465.2237m/z",465.2237446,8.718083333,"neg",1.48909324,27.57585976,54.77570135,7.11760274,54.69096417,28.08463327,54.81303218,4.672344919,18.12432991,44.74532213,24.22354353,8.630029472,52.78089699,45.37563578,25.20482275,9.761079796,119.7195543,9.197601748,43.85525786,21.22418914,164.2724104,119.8396347,9.800957187,46.10341458,43.05596819,41.25274879,39.67635116,36.95966709,36.571991,37.30144524,40.37922329,39.79444877,"HMDB0001054","M-H","C21H39O9P",41.4,-4.608092505,"Dolichyl b-D-glucosyl phosphate"]
["0.91_344.0398m/z",344.0398298,0.91365,"neg",6.620977597,14.82434269,12.26098087,11.19410306,8.523688144,14.99765953,15.20810547,13.07874623,11.60934515,8.531286929,13.36267646,8.845408208,7.752568832,6.599816812,14.0740311,7.93196856,4.819577803,2.672223848,2.902875472,3.879753937,4.791997611,3.206574847,0,1.722105215,8.388453888,10.67852536,10.20556129,11.37197579,9.081695557,13.42276615,12.29686425,12.2058481,"HMDB0001314","M-H","C10H12N5O7P",41.4,-0.950886212,"Cyclic GMP"]
["10.15_337.2369m/z",337.2369187,10.15001667,"neg",19.67953837,17.51872457,10.09849805,18.87056436,12.74688712,16.4097397,9.908680989,19.86146999,16.21882359,17.10942806,14.87802036,22.23869914,9.86733213,17.43590092,14.0904888,21.74187184,13.59984456,13.49543011,11.5851761,12.91898241,5.855813622,11.24520349,12.91132865,14.26253821,14.7113579,17.18881479,15.78325375,15.67675777,14.55636004,16.19662057,12.37769823,15.51385867,"HMDB0002685","M-H2O-H","C20H36O5",41.4,-4.251031661,"Prostaglandin F1a"]
["9.48_335.2570m/z",335.2569809,9.478266667,"pos",13.92877609,22.93352181,7.29014753,12.75333106,7.207258883,23.46939431,6.00561984,9.115270736,18.11785979,7.682632002,6.853155839,8.348677316,7.482657342,9.450943842,7.095256571,7.625145021,9.391446174,9.78353074,12.03026704,12.37303319,20.14527507,7.635591579,8.597213948,13.34223633,20.43635524,19.51000521,16.34851356,21.72089229,19.13512671,22.44846248,19.8049286,18.37560508,"HMDB0011539","M+H-H2O","C21H36O4",41.4,-3.095783728,"MG(0:0/18:3(6Z,9Z,12Z)/0:0)"]
["0.73_335.0739m/z",335.073872,0.727083333,"pos",1412.217676,1013.160594,736.8311284,953.168221,864.5510569,990.433919,699.5244975,935.7025426,882.6480703,1054.581862,863.1889817,911.1526324,887.4865903,1136.189584,889.9357848,888.4186141,710.1398844,911.1127146,908.1729284,1057.607241,700.5856384,665.4908885,877.7493656,827.4061817,931.7352129,947.5197882,856.1376843,904.4297391,972.5023486,944.368227,910.1889932,944.6825451,"HMDB0011649","M+H","C9H19O11P",41.4,0.291897766,"1-(sn-Glycero-3-phospho)-1D-myo-inositol"]
["6.55_481.2189m/z",481.2189411,6.552333333,"pos",23.67614938,12.41485413,11.82874956,22.92929799,14.86509441,16.13833724,9.77578744,22.69987207,10.67729401,18.01795613,13.30965008,17.12896714,10.7113282,16.86589367,12.69880282,12.8020651,5.837115586,6.930890868,9.253447165,7.874715481,2.379980002,5.124625912,6.815268778,8.709323084,12.13114084,13.65464284,11.62689729,12.27635161,13.37601979,13.73244865,12.16958662,13.16972106,"HMDB0012215","2M+K","C10H15N5O",41.4,1.046379654,"Dihydrozeatin"]
["6.08_311.0815m/z",311.0814667,6.075583333,"pos",11.10461175,7.23436018,6.135413818,9.191946019,8.555827504,7.565852722,6.597168478,9.090542005,5.613348502,10.15796738,8.704642309,10.31079993,7.733217485,8.604826914,8.506527193,8.06805817,2.891939698,6.311524402,5.958535739,11.71885495,3.267411338,4.054957738,6.720726857,8.093016044,6.81215729,7.057229754,7.663314043,9.124526401,6.394243524,8.829848935,7.250626786,6.775072105,"HMDB0015413","M+H","C12H14N4O4S",41.4,1.981084516,"Sulfadoxine"]
["4.39_416.2276m/z",416.227649,4.386633333,"pos",115.337192,134.7055696,176.5605288,121.5712419,179.1800883,128.0120063,179.0505518,112.7159118,147.2222575,137.8828102,66.89432711,93.58006071,281.8444444,128.1646859,69.80385291,96.56178841,122.4915883,142.9861721,102.5728544,111.0536893,142.1341651,111.5397784,123.0791522,94.47214822,122.3340091,115.6022499,111.7720294,110.7676025,138.5393205,120.5150115,108.2416921,115.7381755,"HMDB0034575","M+NH4","C20H30O8",41.4,-0.614015037,"3'-Hydroxy-T2-triol"]
["6.01_494.2880n",477.2847403,6.011183333,"pos",0,0,0.337636608,0,2.014515266,0.62902457,0.442508408,0.807304055,0.927420303,4.300204259,7.290967111,21.70526576,3.840992592,4.408526143,7.005480475,15.02397342,37.39781098,20.6980186,16.98191405,12.30793239,16.97493548,33.75986095,19.76303425,18.07671456,13.26937009,9.983407693,10.30696793,13.4695762,7.84575729,13.40241007,12.55831114,10.50503564,"HMDB0034617","M+H-H2O, M+H","C27H42O8",41.4,0.121957015,"(3b,4b,11b,14b)-11-Ethoxy-3,4-epoxy-14-hydroxy-12-cyathen-15-al 14-xyloside"]
["14.00_697.5459n",742.5452479,14.00148333,"neg",488.8813502,599.3886392,471.5232198,305.6668825,381.0868296,519.4878175,446.8439258,299.4010868,385.1990039,479.3816347,321.9339142,264.09413,385.7199273,480.3091462,329.1329819,248.5353441,376.1570565,367.8766265,570.2981831,375.4738918,437.5313579,374.7574423,324.470431,552.3422267,278.3893691,292.7051873,285.2298926,277.0188535,276.1750922,277.2593622,278.687494,274.8015061,"HMDB0034623","M-H, M+FA-H","C40H75NO8",41.4,-4.844423738,"N-[(4E,8Z)-1,3-dihydroxyoctadeca-4,8-dien-2-yl]hexadecanamide 1-glucoside"]
["12.00_711.4302m/z",711.4301517,11.99608333,"neg",59.38874778,31.9501399,7.697696506,24.69228638,68.81593747,32.41740356,9.427669998,20.52308657,35.92982055,21.70611829,58.89014159,81.10446507,23.83519679,19.90163821,54.54016756,76.10914721,18.94311636,13.10581468,19.29473829,16.85911747,7.922492651,12.71688809,9.908289498,22.84171572,28.37752768,27.49974946,27.13304038,32.21533415,23.4884687,29.98664025,28.56869906,25.47305515,"HMDB0039050","M+FA-H","C37H62O10",41.4,-3.525205429,"Notoginsenoside T2"]
["2.45_392.1463n",437.1437372,2.454233333,"neg",57.79105728,49.83335421,124.6526948,116.1349899,81.8896275,53.43208993,129.6522915,117.623294,64.71365337,47.20366802,107.4293333,106.3406485,141.8169604,45.90589667,103.3475205,105.6505747,145.1865435,203.51385,92.1297707,155.6132265,116.6809538,141.0158241,205.7142712,89.93835988,103.8803766,105.7316077,103.7356834,105.8040208,103.5224868,105.6943948,104.7164789,104.0741437,"HMDB0039564","M-H2O-H, M-H, M+FA-H","C20H24O8",41.4,-1.990164902,"Marmesin rhamnoside"]
["1.64_132.0440m/z",132.0439854,1.636216667,"pos",11.81958719,10.25941755,16.07490943,10.94153523,20.14780352,17.28371639,21.96743777,17.0275683,17.96733261,21.98834717,20.84614978,34.91537904,28.39072562,20.84807679,21.00478507,36.83954611,23.58837112,26.28416744,19.92160474,22.87208378,26.07404829,26.86263115,32.39391334,26.32294988,23.82780743,21.09568723,18.17196619,26.55503415,18.49868233,25.31833942,24.75383114,25.36492242,"HMDB0060946","M+H-H2O","C8H7NO2",41.4,-2.7162152,"NAPQI"]
["7.33_343.2115m/z",343.2115414,7.32915,"pos",34.57438607,35.51359311,31.65689266,36.80884741,46.28941006,33.88207927,31.76567469,38.87607981,74.39589101,42.25753715,48.29394399,68.95166185,45.22860313,44.30989077,48.55509748,69.39828173,46.06680809,47.98197538,41.56533388,26.10940027,44.97461657,44.11489756,37.49290002,43.76131646,57.13303196,52.23775019,51.44984361,52.81669513,53.38075276,59.98363841,52.80232642,53.18057067,"HMDB0061154","M+H","C18H30O6",41.4,0.076879146,"Monic acid"]
["10.22_466.2921m/z",466.2920795,10.22416667,"neg",31.17011907,73.36922754,50.32492407,30.07670803,39.92121225,82.51713105,56.2791914,30.71931622,63.82237115,69.60247299,51.19298247,32.28708589,62.90558072,76.82995891,47.3309871,31.20273225,166.3582242,87.77824436,86.83225551,86.67550788,186.1427278,177.591849,95.10502832,87.21752559,64.02610511,65.38733466,63.52500163,65.22337011,68.57520311,68.0208101,71.79234343,71.55547134,"HMDB0061691","M-H","C22H46NO7P",41.4,-3.923566824,"1-Heptadecanoylglycerophosphoethanolamine"]
["6.89_515.1855m/z",515.1854961,6.889,"neg",81.70671436,25.53844634,9.344411483,26.8366149,13.02624976,21.26240846,11.17414082,24.77488658,18.5888445,38.41552463,7.05926833,39.22714285,19.63826737,34.42639347,5.346938106,36.08937259,8.395831986,78.43921759,19.10377281,33.94674766,11.37742708,9.701841713,83.29018184,20.05389855,21.18258218,25.70364193,23.70476019,24.616334,28.35513933,19.86093014,22.06393216,27.36155546,"HMDB0062179","2M-H","C9H14N4O5",41.4,-0.128961042,"AICA-riboside"]
["13.21_337.2717m/z",337.2716937,13.20555,"pos",409.9674788,274.8225088,377.6691409,170.3332622,202.2864975,286.0430342,401.0821079,318.1231835,279.5917936,213.2911243,224.2005763,240.2768057,152.714311,215.2984641,234.9254821,273.3130266,381.3856178,409.4355032,450.2126678,223.6959209,285.7470909,369.3230656,351.2360133,387.3521814,269.6879401,307.8616631,331.167384,352.6279051,565.2281216,554.8087733,549.8054214,574.9875005,"LMFA01050072","M+Na","C19H38O3",41.4,1.202584005,"19-hydroxy-nonadecanoic acid"]
["14.76_823.5555m/z",823.5555163,14.7561,"neg",203.6643472,844.3719302,353.6534998,198.0381123,312.7352808,682.396812,337.8451591,186.2485169,404.3774461,102.6709582,275.8938866,126.8904152,379.9141818,101.3216158,245.5600212,121.8283355,363.3078936,194.6681226,217.2016193,173.8438914,352.8672904,348.9162769,192.0632853,190.803167,173.5606487,190.9599498,178.6660867,169.1928506,160.5409015,151.3288398,168.2725063,179.3068636,"LMGL05010023","M+FA-H","C45H78O10",41.4,-2.806845558,"MGDG(18:2(9Z,12Z)/18:2(9Z,12Z))"]
["9.20_469.2579m/z",469.2578623,9.198416667,"pos",299.4217528,150.610721,158.0224611,213.2485667,165.9104156,142.8949921,151.6923411,191.902901,68.2168324,81.04983433,184.7643752,173.4817451,141.6735462,81.79364684,162.1052228,168.3164866,60.27143564,81.05326332,80.83815625,106.774779,63.10491333,55.62838653,90.79736061,82.90389853,157.4050383,162.5322859,156.2963817,154.7667019,152.3813204,153.6412589,150.7677822,140.7503693,"LMGP04050018","M+H","C21H41O9P",41.4,3.772158871,"PG(15:1(9Z)/0:0)"]
["10.08_369.3235n",370.3303188,10.07876667,"pos",42.33292742,45.92579715,60.38264564,38.0472361,16.86889424,43.54159616,55.53445974,44.85951258,18.15580923,30.19271354,34.69337885,38.11451311,9.582835661,25.7703197,29.78963844,39.60622705,33.28389457,46.92245165,64.66180112,44.21572362,65.22209665,30.19542744,44.47623504,61.16947192,55.79523129,58.7096071,51.40503801,56.12633806,74.11216982,67.91929627,66.50486392,65.32471727,"LMSP01080016","M+H-H2O, M+H","C22H43NO3",41.4,-2.166860504,"Aplidiasphingosine"]
["0.78_404.0019n",405.0092106,0.777833333,"pos",8.983672479,93.03502195,391.0616339,116.4383108,225.615352,101.7840032,382.5042092,110.8558853,170.794976,341.6718559,193.8763288,6.758804217,188.7774174,331.7576889,186.3122385,6.752316838,430.3913993,342.8876502,249.2358383,396.5240453,351.9097387,399.5746226,323.713605,252.5599138,240.4746367,252.8063736,214.3177252,258.7657465,266.7486676,248.6696709,235.2390804,254.1668923,"HMDB0000295","M+H, M+K","C9H14N2O12P2",41.3,-0.650874464,"Uridine 5'-diphosphate"]
["2.86_615.2172m/z",615.2171877,2.864883333,"neg",25.82263362,38.36854962,21.48605555,14.10705736,13.24095481,40.86862481,19.36951083,16.78768429,25.542504,4.124835465,17.18522193,10.36282198,15.88385485,3.747604366,15.23189653,9.551918609,11.00731357,4.576647924,5.606718696,0.554198959,16.84811238,12.7672715,4.033349619,5.442514322,11.23339513,10.65774078,13.45602066,10.29399669,11.45736693,11.55251494,9.755004895,10.79780039,"HMDB0006587","M-H2O-H","C24H42O19",41.3,4.729585289,"Lactodifucotetraose"]
["14.30_446.3755n",429.3721879,14.29828333,"pos",5156.601088,4283.399763,3356.130103,5109.365519,3829.458632,4228.002515,3375.759662,5084.182473,2739.132329,5628.475041,3811.384502,3678.327247,3587.760762,5631.044206,3805.509464,4176.959721,3825.409199,4964.073924,5914.085926,6132.643115,3503.183437,3679.321108,5038.491937,5589.095312,2772.502882,3303.831593,3593.827061,2979.681046,3254.890138,3269.520319,3417.992285,3581.131745,"HMDB0012559","M+H-H2O, M+Na, M+K, 2M+Na","C29H50O3",41.3,-1.163507295,"13'-Hydroxy-alpha-tocopherol"]
["7.07_541.3261m/z",541.3260582,7.07295,"pos",17.37285457,30.70042264,4.117976747,9.014975883,2.702970743,31.42011919,3.826363404,10.40124623,8.826900097,0.323280361,3.48688735,6.3947943,6.86227417,0.043236441,4.668073666,6.571820767,2.825911712,7.832083679,3.008181953,2.219286447,1.848948548,3.217232913,5.959826667,3.137456536,3.081898739,2.825331942,2.853088023,3.661004872,3.479055935,4.986941797,3.94424925,3.238256181,"HMDB0015219","2M+Na","C15H21N3O",41.3,-0.167986894,"Primaquine"]
["2.22_217.1547m/z",217.1546936,2.220366667,"pos",10.61400815,6.859022928,15.1311505,11.90018348,8.603616358,7.725832312,16.12413781,12.10914312,13.1364132,8.881110227,5.057517254,12.34553901,10.04610407,7.572738383,5.122697747,11.79152414,8.992587976,8.271732931,14.51458446,8.916326046,12.14908646,9.238933724,8.992607692,15.04906001,8.916432411,9.325081377,8.329092564,10.86615121,9.291069696,10.6292097,9.025499317,9.899440905,"HMDB0029140","M+H","C10H20N2O3",41.3,0.113885471,"Valyl-Valine"]
["2.39_436.1239m/z",436.123935,2.38905,"pos",53.72911569,19.94954833,23.59879045,64.22361341,15.25903839,17.82497361,22.90888909,59.52203588,22.91528713,54.55159645,53.66151654,50.2662671,28.24600888,51.60085437,48.19031253,49.23522086,71.47344273,77.87623673,77.2859218,68.19462642,37.94791843,65.37099639,73.29328649,70.05793347,62.11107978,55.07733143,58.65946163,61.5303733,64.20134218,59.42589117,62.31134952,57.24250341,"HMDB0029261","M+NH4","C20H18O10",41.3,0.26963183,"Kaempferol 3-O-arabinoside"]
["6.31_373.1646m/z",373.1645716,6.313466667,"pos",184.1959181,219.0134805,219.2587392,206.9186043,259.719076,224.7655432,207.4899207,194.009806,183.790207,209.7878281,278.3998767,191.7920925,201.0388287,202.0604193,267.8064458,182.0256556,278.1590317,209.9987066,214.2131701,227.3073958,226.3058843,269.1182507,192.0845071,207.7871232,221.0912508,229.8723732,210.2051311,221.8636844,223.2795062,224.7032177,209.7397173,212.7255169,"HMDB0030502","M+H-H2O","C21H26O7",41.3,0.017097741,"(2S,4S,6S)-2-[2-(4-Hydroxy-3-meyhoxyphenyl)ethyl]tetrahydro-6-(4,5-dihydroxy-3-methoxyphenyl)-2H-pyran-4-ol"]
["2.61_399.1287m/z",399.1287481,2.605883333,"neg",10.52519322,5.786197104,5.766870318,11.32455527,6.757956219,5.804672692,7.036025048,11.54721273,6.870935617,3.095399945,5.128889202,15.13040536,7.490436718,3.994011883,4.146216385,15.77867884,10.44190606,15.24556206,9.353154865,11.55387031,5.196969607,10.62216749,17.1097389,9.163163664,6.884939218,6.837646352,6.203791994,6.324204731,5.536982997,5.426931517,7.539253471,6.355555259,"HMDB0031350","M-H2O-H","C18H26O11",41.3,-2.206019088,"Oleoside dimethyl ester"]
["13.52_699.5274n",722.5163959,13.52055,"pos",3110.619692,3789.060498,3466.687961,3468.224087,3885.568221,3695.74764,3306.330209,3199.650484,2576.878103,3373.459102,3182.928715,2351.088189,3565.071242,3429.919554,2880.654863,2481.464238,2968.460274,3512.251964,3328.009488,4005.244049,3173.471526,2814.006368,3431.758931,3156.595187,2343.175541,2758.241714,2844.178641,2346.143678,2532.030046,2566.660548,2645.22435,2680.556552,"HMDB0031983","M+H-H2O, M+Na, M+H","C39H73NO9",41.3,-1.648836333,"Lucyobroside"]
["10.53_653.4264m/z",653.4264417,10.53265,"neg",42.55219533,31.76567935,7.359490265,24.9322953,56.28505083,33.4883843,6.27584822,20.62795578,38.15854265,25.84889964,46.49992376,65.50572308,16.44722947,28.69866936,47.69555209,63.75654564,12.18868699,8.03068848,11.15089036,22.44331481,9.139305862,10.15605759,12.5251655,14.95221491,22.36933862,23.58059251,25.19203154,24.59846073,27.4466183,23.15348843,26.13418168,23.09298842,"HMDB0032941","M-H","C36H62O10",41.3,-0.886266351,"Momorcharaside B"]
["3.34_316.1522n",299.1489544,3.3386,"pos",84.26343511,101.1197695,93.54949803,96.51772787,91.08174612,105.5980645,94.44732277,98.8135986,68.101191,107.2327073,76.31781973,99.25892307,68.0389437,97.90646718,71.57157281,103.0685112,78.17210783,63.01865413,82.71856756,56.96171966,55.86255064,77.59388057,59.85480431,86.57933702,79.31450935,82.00300968,78.92828536,87.09393281,85.84453275,86.89203041,81.95684005,77.43515603,"HMDB0033643","M+H-H2O, M+H","C15H24O7",41.3,0.125195368,"10-Hydroxy-8-nor-2-fenchanone glucoside"]
["7.83_460.3257m/z",460.3257407,7.829566667,"pos",12.90016226,13.01205495,8.047491909,10.42234748,9.257488848,14.74277309,8.386064071,10.80233062,13.58798213,9.345492525,10.27893958,13.51043278,11.7906991,12.82188861,9.404984763,11.62898147,7.114518563,9.552679717,7.763046931,11.73617075,9.970482256,9.588738953,8.235054061,7.574276963,10.37134307,13.1617726,9.222394318,10.03676638,10.33131773,10.00564774,9.123388985,11.74322384,"HMDB0038242","M+NH4","C24H42O7",41.3,-2.574130464,"Ascorbyl stearate"]
["12.08_733.1075m/z",733.1075151,12.08258333,"neg",28.88155302,44.41749474,26.09465535,80.71569323,22.25835802,42.96147628,28.68362192,88.68185312,20.43113654,41.57693394,17.86835621,22.22754533,31.30697925,46.41329327,19.36288215,10.15258904,16.7887254,29.18137129,25.59342999,29.6612273,18.27083945,11.38203174,31.28973497,27.44127449,36.28901882,40.08840672,40.55318509,41.03255249,40.14660371,33.12289031,35.206837,33.14490548,"HMDB0038486","2M-H","C12H17NO10S",41.3,0.215246479,"Tetraphyllin B sulfate"]
["5.96_152.0831n",153.0904898,5.956383333,"pos",21.34478292,8.165708277,11.5349759,18.27417833,26.17672497,11.95541749,15.96701571,26.00007922,17.87522302,23.91736901,27.47841721,14.53282783,25.4633236,22.52893913,28.37938611,15.05061828,35.08922302,69.72082629,69.94904653,116.7163982,79.94702653,44.98948092,85.07583421,80.11527663,37.63039828,33.699064,31.56393706,46.75146593,35.65981797,44.98108769,42.88693551,42.40736759,"HMDB0041326","M+H-H2O, M+H","C9H12O2",41.3,-3.87856715,"(Dimethoxymethyl)benzene"]
["9.87_505.2553m/z",505.2553201,9.873516667,"neg",157.3104988,195.655179,99.13176269,141.4138537,107.1464097,192.2860834,102.0660939,136.9451071,190.8497655,169.6720905,116.5391398,144.5619569,141.8387644,170.8146187,123.9408497,161.3843794,198.4359129,187.3035087,223.7880147,207.879002,265.2020268,219.1838224,185.0584349,238.9921963,135.2164818,140.2143031,138.4321789,136.420806,136.8250181,138.0306875,142.4669134,141.3345421,"HMDB0062313","M+FA-H","C23H41O7P",41.3,-4.069518367,"1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate"]
["1.09_286.0922m/z",286.0922046,1.091166667,"pos",108.744714,67.20338635,90.02826584,88.09688229,56.51954546,71.56267023,85.8417598,81.44088874,52.29105037,192.5514557,128.1700652,107.4525923,101.1716264,183.8062901,117.3187166,107.7363119,140.980222,150.214105,218.9739366,133.4841827,97.70821996,142.1025507,147.4833582,205.0996074,132.0750308,124.9701116,123.2801301,134.5467846,141.298878,135.2552892,134.8094707,125.360502,"HMDB0062645","M+Na","C13H15N2O4-",41.3,-0.752726622,"N(2)-phenylacetyl-L-glutaminate"]
["13.52_812.5118m/z",812.5117674,13.52,"neg",400.7335033,410.6335637,426.2756406,396.3517653,416.7820846,367.1698233,370.9448851,399.5337027,239.227151,400.8611153,386.9970283,291.0139026,397.3094215,390.1499525,363.5453272,288.976572,296.172512,423.7035893,419.4850246,421.1276738,330.8255587,371.4136842,442.8620082,405.6214466,270.5957206,276.7983616,316.500615,283.9627067,296.3710374,297.73663,297.8636748,319.2275193,"LMGP03020074","M+FA-H","C42H74NO9P",41.3,4.488465899,"PS(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))"]
["1.10_506.2476m/z",506.2475725,1.1013,"pos",26.22891952,3.588380855,1.66830742,9.835371678,3.949331032,4.71427184,1.416295487,11.33949264,1.251880739,21.33827869,5.780992166,15.64928522,14.62438017,22.20724264,6.859076233,12.61598098,5.995824716,58.94986396,14.08177639,51.75633323,3.243163537,6.357977506,55.22847844,11.49847661,13.921954,12.77456466,12.54939843,14.85131061,17.75933436,15.79903133,13.56580707,15.95913417,"LMGP03050031","M+Na","C21H42NO9P",41.3,-2.828229355,"PS(15:0/0:0)"]
["12.06_779.4710m/z",779.4709632,12.0564,"pos",157.0566131,150.2038474,105.0366979,135.0327118,108.6577351,158.5123484,103.2967457,134.0951626,76.1388112,90.43270184,106.1023184,148.0565913,80.44276359,93.39779064,88.36367781,150.05305,28.90012072,46.43228092,46.21930842,39.96351811,51.13666882,34.68326883,42.82887804,39.05433658,75.74829266,77.05039315,76.90563707,53.05959489,59.59727876,57.94508697,77.39480003,84.69342304,"LMGP06010021","M+H","C39H71O13P",41.3,0.588132817,"PI(12:0/18:2(9Z,12Z))"]
["9.09_329.3291n",330.3363915,9.085,"pos",1347.118998,1042.795546,1495.419375,778.5370434,899.5045166,1085.763739,1403.941363,2299.42932,862.9721213,624.3620255,836.5844128,1082.802038,986.2017496,634.5654875,807.8799442,1047.215761,1911.310038,2257.719031,1309.185229,1363.674984,1844.570795,1838.018256,2317.329416,1362.861873,4188.001381,4131.93665,4259.200837,5267.725713,7542.916731,7149.441502,7156.506456,7246.790479,"LMSP01080056","M+H, M+Na","C20H43NO2",41.3,-0.803450501,"N,N-dimethyl-Safingol"]
["1.15_137.0245m/z",137.0244833,1.1518,"neg",32.30178218,29.38724945,30.85698827,26.85502456,23.3501862,31.15927637,33.14843458,24.87282812,50.01442187,20.73227523,30.67876002,30.7611578,36.11745935,23.86234948,30.2872064,30.99384811,30.8724934,37.4250564,28.42748093,44.52167703,35.77869592,37.31120694,40.90960959,34.09224272,29.101247270000002,30.51103722,27.99398423,29.26532852,28.35832275,31.59834131,32.65593475,34.40344921,"HMDB0000500","M-H","C7H6O3",41.2,0.475982324,"4-Hydroxybenzoic acid"]
["14.10_138.0198m/z",138.0198332,14.09898333,"neg",36.72720469,32.88574152,41.17828515,31.94616511,29.89470356,31.11806671,37.92344893,31.85656574,35.34398303,32.18441386,36.78713204,32.33024463,33.89763154,34.22080132,33.45362804,32.66071004,37.74729988,48.06272291,43.92436762,55.7696824,50.88346448,50.44811586,60.32260986,51.6752368,35.05734112,33.6062874,33.99189824,34.49696588,35.80381233,41.28210157,46.36578245,46.16865756,"HMDB0002658","M-H","C6H5NO3",41.2,1.198571445,"6-Hydroxynicotinic acid"]
["9.70_331.2841m/z",331.2840582,9.701216667,"pos",1.005208313,9.744683967,5.314282454,3.833076514,1.472221852,8.135303502,4.066747924,1.403868475,7.790255797,5.806734267,3.455436386,2.235185654,3.74648233,6.322025998,3.11013263,2.470169702,17.28344291,4.736786574,5.601426483,4.081678566,26.57466342,22.70396449,5.871201924,7.30040056,5.198323737,5.096264548,4.936013807,5.621456712,5.727847077,8.793789196,5.35670826,7.284508365,"HMDB0011533","M+H","C19H38O4",41.2,-0.689994576,"MG(0:0/16:0/0:0)"]
["5.70_444.2967m/z",444.2966921,5.696883333,"pos",0.334156655,3.049454092,16.85243535,22.1038843,4.817600251,4.203337637,16.73396496,20.87145803,3.767069334,1.627801273,19.17029333,5.194053207,3.794491691,2.021334734,17.3613983,8.620917393,1.622089544,44.75315825,47.87559669,28.08612225,8.970897858,3.80224016,37.13436111,43.10289437,8.650210446,5.868399326,8.016169389,5.028066829,5.161377535,6.487200831,8.076158147,5.523730042,"HMDB0013043","M+NH4","C23H38O7",41.2,2.611187275,"Prostaglandin PGE2 1-glyceryl ester"]
["10.29_278.1516n",301.1408266,10.29218333,"pos",3759.818306,3774.604305,4072.265221,3256.700394,3212.432302,3794.014633,4028.5444,3293.191755,4152.876055,3540.782575,3433.376041,3717.623558,4292.101585,3604.338859,3298.637195,3074.284717,4515.018115,5243.679655,4048.870149,4847.616152,4453.998047,4163.88728,4797.426079,4390.49673,4239.697951,4398.41518,4079.369425,3940.660769,4124.674474,3982.878546,3809.675734,3746.327214,"HMDB0013248","M+Na, M+K, 2M+Na, M+H","C16H22O4",41.2,-0.730654634,"Monoethylhexyl phthalic acid"]
["11.57_551.3943n",552.4015722,11.57183333,"pos",1464.20137,3321.240122,2938.471528,1756.42869,1995.078989,3394.389078,2744.401484,1823.482319,2706.28258,3337.486054,2751.69582,1882.765932,3587.274032,3247.057444,2553.768466,1886.974911,5711.817271,3909.496376,3251.900161,3716.98073,5965.706012,5544.907137,3749.974028,3212.733516,2752.680382,2964.577476,3044.632259,2963.519438,3039.082791,3022.3604,2865.437468,2834.707197,"HMDB0015387","M+H, M+K, M+Na","C30H53N3O6",41.2,1.558480658,"Aliskiren"]
["0.93_286.0922m/z",286.0922172,0.9284,"pos",123.9355677,80.10925866,90.97237473,93.31942531,62.60353223,75.82239813,86.58107243,89.58506504,58.10890556,204.9296226,128.9538047,109.92405,108.4863021,201.4835212,123.0661893,112.8781949,156.4087464,149.7752618,225.918147,147.3206839,96.46870394,143.9183488,147.5574772,209.0429461,132.7527928,144.1045788,131.429953,141.8304351,142.0738998,138.9064089,134.9052705,132.6153913,"HMDB0029913","M+H-H2O","C12H17NO8",41.2,0.293475488,"Gynocardin"]
["11.54_530.3491m/z",530.3490524,11.54128333,"pos",82.65879694,69.51226361,84.65494513,74.48912154,92.87167757,69.50800609,78.30948311,82.71049276,71.48280066,70.46222563,84.44537311,91.4285591,78.66742063,66.68823347,80.68534523,76.98842383,86.36705881,25.03923686,26.53555712,33.32072567,14.97646562,81.5453407,22.61191783,22.90122777,97.36454784,87.21898672,99.67622294,95.57776654,95.10714372,84.77533613,91.35219123,91.45965453,"HMDB0030201","2M+NH4","C16H20N2O",41.2,0.195819281,"(-)-Fumigaclavine B"]
["3.17_215.0928m/z",215.0927503,3.1672,"neg",14.83255152,10.17956988,8.855378524,11.494279,11.8254018,10.4959643,8.548027113,12.52507663,8.291282918,9.912552676,9.056862015,10.89631005,8.695444567,11.07645306,8.974424541,10.31988238,4.528085817,6.473399388,6.825566101,7.51302441,4.537185676,5.330897037,6.916645762,8.149411865,8.426972365,9.08751565,8.654822179,10.02975312,12.1605412,10.05872646,9.865514543,11.25465578,"HMDB0030471","M+FA-H","C9H14O3",41.2,1.48822678,"1,4-Ipomeadiol"]
["13.02_383.1882m/z",383.1881821,13.02336667,"neg",2186.613194,2324.155112,2132.229097,2071.637004,2157.321903,2472.420358,2141.84361,2253.131898,1890.2377,2231.401298,1983.810173,1856.604391,2023.22067,2287.481726,2012.847783,1867.86802,1709.557364,2131.21861,2131.233598,2527.995403,1889.615052,1769.026131,2193.994699,2179.045921,2172.765084,2151.143719,2096.297835,2224.085781,2160.478218,2302.832826,2193.602691,2262.875318,"HMDB0030523","M-H2O-H","C23H30O6",41.2,4.436990865,"Citreoviridin C"]
["14.07_587.4649m/z",587.4649452,14.06588333,"pos",540.4216848,796.1692864,418.7678653,470.068146,782.8300749,749.5331257,415.1909331,450.7069566,671.1109794,408.2973672,712.8162067,669.3377236,547.6159352,407.2844231,685.0130362,668.7659807,461.9085655,336.9610618,443.8002028,524.7932662,530.5522055,422.8202304,346.2689848,412.2784467,390.1848444,469.8637745,500.9973443,439.7121121,472.0899095,459.4409261,447.6249335,490.3278216,"HMDB0031390","M+Na","C35H64O5",41.2,0.618892435,"Annotemoyin 1"]
["0.96_410.2531m/z",410.2530517,0.96205,"pos",7.773011144,13.18968289,20.53743307,10.17986875,14.82347246,9.899831871,15.96635551,12.19567043,24.51662114,10.28874561,11.7306779,13.51227509,16.84838509,9.756035119,12.86029922,10.11284783,25.44476508,26.24269028,12.01294942,20.14884288,16.11333112,21.86509134,22.69791539,11.28661506,23.10227576,21.22373921,23.01480295,23.23530714,17.78600954,19.83876781,17.27954756,16.36852086,"HMDB0034662","M+NH4","C22H32O6",41.2,-1.689226945,"Dihydrofukinolide"]
["6.53_565.2270m/z",565.2270126,6.530783333,"pos",889.893371,980.6877564,1014.18814,963.0973245,1044.51254,914.1063235,949.4366468,904.8615521,855.1976736,970.0047556,1134.070869,904.2122138,913.6253884,984.5228028,1126.672935,914.2809589,1219.828289,970.6563169,976.0676521,1017.385443,1041.520547,1113.834972,900.2267495,904.5928828,999.2216972,1012.349047,991.6908063,978.6335471,1064.787836,1011.208534,946.5718587,970.7363821,"HMDB0035167","M+Na","C26H38O12",41.2,2.702212301,"Cinncassiol C1 19-glucoside"]
["11.87_290.2601n",308.2946368,11.87463333,"pos",178.8755365,104.869341,192.3556282,97.269247,66.43921072,106.5188202,192.2490727,233.9952633,58.05074372,105.4452367,52.86822919,113.1832698,24.48235055,97.30095169,54.9537828,103.4643271,128.2699245,142.3776967,124.7496202,114.0911168,160.3734523,126.5866123,131.6601723,118.9727816,129.950056,128.4570743,131.5239718,158.6325305,295.4238219,295.4465035,262.6106384,280.6718261,"HMDB0035276","M+H, M+NH4","C20H34O",41.2,-3.00503096,"8alpha-13(16),14-Labdadien-8-ol"]
["8.49_195.1375m/z",195.1374762,8.4861,"pos",14.15904135,20.7721285,19.44266237,16.19269816,17.11446309,21.85030034,20.40781671,16.73393324,20.27883447,18.99328738,16.92380833,18.46981664,16.87521772,17.19869131,18.2713144,16.2137622,23.68943398,15.24998321,15.05266481,15.82801893,20.58773733,21.7398454,18.70093439,13.86560086,19.12436511,19.01602176,17.65683311,21.04524731,19.09237575,21.02665688,17.8815772,17.55587212,"HMDB0035375","M+H","C12H18O2",41.2,-2.472889394,"Ethyl (2E,4E,7Z)-Decatrienoate"]
["14.04_727.5577n",772.5553933,14.04481667,"neg",437.1078856,668.3471143,464.9890857,348.1388617,552.3101565,593.2955343,443.7503122,340.5376708,406.7717817,460.5873133,379.1033207,357.372202,452.8702934,452.4838986,369.3588493,343.4578109,388.6550871,292.0685813,346.666492,302.7762546,302.436124,377.5114404,274.0365229,326.0665877,286.9400339,295.8580569,299.681469,282.2617273,287.5377262,274.0596355,286.5817728,284.203898,"HMDB0035990","M-H, M+FA-H","C41H77NO9",41.2,-2.967301727,"Cerebroside B"]
["3.19_543.1743m/z",543.1743216,3.189366667,"neg",27.36739942,27.26147003,33.6066094,33.35342402,68.77502002,28.47599395,34.63028662,34.53343456,39.35309008,94.21381303,81.25745154,115.2844326,45.69131446,95.26591988,84.3251555,110.4543599,78.42586092,56.55328945,98.59586679,55.55226761,60.1438331,74.5135076,58.42839131,108.7896642,66.36993682,65.83679574,65.33753026,65.09354029,62.09979697,67.08753324,68.99780878,67.96343095,"HMDB0036742","M+FA-H","C23H30O12",41.2,4.802180462,"Eucaglobulin"]
["9.29_678.3813n",696.4151451,9.29085,"pos",1569.376378,4547.520375,4418.580215,4151.149784,3272.507667,4254.028703,4285.684588,4036.403511,3608.414316,3181.979979,2251.601513,2052.608157,2720.231752,3377.584938,2219.062236,2095.842234,4528.662774,2464.857677,3801.617888,2982.998321,5596.302511,4304.916302,2340.800301,3805.299788,2573.566846,2627.339077,2455.242437,2504.057688,2651.641545,2606.670743,2483.81776,2531.24781,"HMDB0041094","M+NH4, M+Na, M+K, M+H, M+H-H2O","C33H58O14",41.2,-1.97087736,"Gingerglycolipid B"]
["2.80_450.1392m/z",450.1391704,2.797483333,"pos",33.63590805,59.03615591,20.67114542,9.221330197,20.86983415,58.18968487,19.80489402,10.24503009,4.713519527,51.95099343,62.56216625,19.28042885,15.99997363,55.87121316,58.6355147,20.93977309,37.10777266,10.87907291,74.47971509,11.89197717,22.22774713,35.98084335,9.668665869,66.55644777,44.41636895,41.39912905,41.37830727,45.53457364,43.25286498,46.5235711,45.75928101,43.57061805,"HMDB0041722","M+NH4","C21H20O10",41.2,-0.698792704,"Dihydrodaidzein 7-O-glucuronide"]
["1.66_271.0698m/z",271.0698238,1.663266667,"neg",7.415940158,10.08981472,10.47453134,11.21008926,6.722834452,7.878795022,13.28557501,10.62353644,12.14692258,10.76659395,9.928071159,7.224582519,10.58573116,9.931630789,10.75474395,7.376211835,24.31475998,21.20047794,15.85477358,22.34902283,7.275657462,22.3120448,22.31580017,13.05704345,12.49508481,12.326514,12.50720916,13.99797273,14.16418793,12.09186997,14.99124153,12.29415948,"HMDB0061177","M-H","C11H14NO7+",41.2,0.269951246,"Pyridine N-oxide glucuronide"]
["7.31_291.1952m/z",291.1952245,7.3077,"pos",1607.246961,1415.589957,1241.199027,1503.278031,1408.509036,1407.38421,1211.188086,1500.283074,1384.453756,1465.030096,1366.22762,1546.026095,1240.882653,1460.547465,1350.773494,1569.247131,1053.228422,1164.059548,1187.635393,1135.761902,1038.529383,980.9239487,1102.562496,1117.531787,1372.177573,1394.486239,1333.73191,1384.164281,1420.487662,1414.955638,1305.386771,1313.652926,"HMDB0061861","M+H","C18H26O3",41.2,-0.849893748,"Octyl 4-methoxycinnamic acid"]
["2.38_370.2203n",388.2538761,2.378916667,"pos",78.35788449,71.36224115,73.25871072,75.1154918,74.61047996,72.00646882,73.84159792,79.87336045,92.74362836,113.0610059,87.2161833,95.37938261,89.6917492,125.7621869,92.43780216,91.7741904,102.3966113,117.7776677,173.1974943,110.69611,115.2830934,106.6213238,121.7717084,165.1500706,107.6413273,105.4606523,108.3712992,122.9145568,177.0771607,180.2001952,179.9386897,166.7459335,"HMDB0094680","M+H, M+NH4","C16H34O9",41.2,-0.015784216,"Octaethylene glycol"]
["9.17_266.2239n",289.2160982,9.167766667,"pos",98.37617862,64.21492467,45.27302284,76.86446716,68.68033803,60.63560292,46.9061269,75.96330228,41.46202146,45.21877071,73.24595093,71.76784419,60.18080814,47.02134362,68.86185468,77.35164371,29.85035884,49.66579129,54.09741299,41.49154725,33.93010471,30.86981521,46.84010024,52.78471968,56.87511823,67.16449826,59.01677753,57.64468321,67.44815888,61.03116575,53.54196269,56.38860058,"LMFA07010334","M+H-H2O, M+Na","C17H30O2",41.2,-2.397249368,"8E,10E-Pentadecadienyl acetate"]
["1.30_147.0452m/z",147.0452395,1.30445,"neg",32.40447894,33.28664258,55.08438814,40.65390274,49.42900704,33.97552773,58.28859777,41.0102215,41.62514436,38.94239064,42.32061691,37.26921125,48.37623768,39.37348115,46.83065139,36.41679904,63.54671561,64.4698437,52.79799484,67.51419967,56.55561248,64.08926173,64.51203648,54.31835652,43.32725602,43.42093458,43.41995856,41.46580932,45.23245364,43.46824686,45.52493201,45.57421419,"HMDB0000567","M-H","C9H8O2",41.1,0.584150203,"Cinnamic acid"]
["15.00_785.5917n",808.5809238,14.9975,"pos",5978.569632,3438.507294,3567.567326,1847.213157,2169.222352,3384.225945,3647.433236,2046.478442,6070.475139,2402.286518,2359.043221,2502.384448,2867.12048,2445.513245,3089.374045,2817.145745,3530.902908,7136.257097,3653.607302,7614.540033,2498.303343,4083.451495,6945.941082,3698.494675,1429.807436,2716.403598,2831.439729,2076.296106,1907.556466,2009.778977,2522.199533,2300.162769,"HMDB0000593","M+Na, M+K, M+H","C44H84NO8P",41.1,-2.230424074,"PC(18:1(9Z)/18:1(9Z))"]
["2.56_442.1836m/z",442.1835597,2.5576,"pos",17.03574091,37.03256823,26.35395626,21.27974864,30.15362072,37.39948209,26.88575794,20.13810182,12.99570235,31.46100705,14.90700318,4.400420114,10.32621179,31.46081952,15.19440933,4.887952648,2.896984783,0.570823375,4.441897525,0.855966928,2.999029249,3.67930642,0.789590231,2.980998465,13.68188801,12.11872231,13.17701407,13.26605636,14.03334548,11.93597433,14.47779015,11.7550847,"HMDB0001396","M+H-H2O","C20H25N7O6",41.1,0.471219463,"5-Methyltetrahydrofolic acid"]
["7.86_631.1088m/z",631.1088139,7.86445,"neg",8.432225135,0,0.682491746,2.656246578,7.706906886,0.234150782,0,5.381271862,0.808576293,7.420441134,2.27501208,3.413597059,6.612037026,8.46268272,4.379087128,2.488946032,1.019766552,17.54841112,7.621018883,20.3512297,3.763581852,0.93755878,17.94198517,5.431875004,2.902042835,2.340717152,2.925617966,4.250900498,5.233776052,2.540923074,3.880223249,5.77953505,"HMDB0002655","2M-H","C16H12O7",41.1,-0.814878638,"Isorhamnetin"]
["2.53_188.1279m/z",188.1278883,2.5264,"pos",5.860414755,2.589953354,0,0.452535324,0,3.341157517,0.46056464,0.458419573,16.67679862,0.951061128,2.222639457,5.542500808,1.14868927,1.117596027,2.360787638,6.829507209,2.046797754,1.196717916,5.119054536,1.44545655,9.778381067,2.769564158,1.693165265,5.676276601,5.648020204,4.662555609,4.815334779,5.824286705,6.00285421,5.692285738,5.130037108,4.928441693,"HMDB0004231","M+H-H2O","C9H19NO4",41.1,-1.128595619,"Pantothenol"]
["13.30_605.4395m/z",605.4395072,13.30435,"neg",41.22991794,169.5400425,60.6232166,24.66299071,218.513161,165.6966127,60.57030856,21.97092811,264.5028996,56.24830833,195.4680869,150.0211565,105.9775129,54.49994693,201.7440006,141.3987836,108.7365279,41.60839922,61.83179875,95.59916017,214.6286245,107.2644183,40.89160114,59.06423295,108.2766798,106.2015756,112.164641,99.79605699,103.9574415,100.6835056,102.6034047,110.3206751,"HMDB0007019","M+FA-H","C35H60O5",41.1,-4.943742079,"DG(14:0/18:4(6Z,9Z,12Z,15Z)/0:0)"]
["15.48_590.4898n",613.4790026,15.48065,"pos",7435.305065,6812.666748,7453.495372,8974.411468,13458.82081,8882.221517,8604.779911,9408.296699,6156.443916,5421.513898,7940.855369,4759.165918,7442.637072,9485.577952,8390.997524,7382.758049,4322.847889,5247.845652,6643.711449,5937.057323,6070.306658,4410.340395,5077.829426,6941.433269,4059.059666,4090.353108,4958.653138,5168.91346,5093.490284,4700.758912,3501.191304,2633.913025,"HMDB0007132","M+Na, M+K, M+NH4, M+H","C37H66O5",41.1,-2.105505535,"DG(16:1(9Z)/18:2(9Z,12Z)/0:0)"]
["14.54_742.5370m/z",742.536953,14.54145,"neg",152.7532041,67.49570714,23.24634496,14.96337252,32.17719335,52.85562281,22.15392258,13.92122033,145.2598139,27.86914691,46.07329918,50.0119771,24.64155304,31.51905563,41.17990571,47.34095404,86.33784045,106.0306864,52.1064,124.193795,43.535654,94.54749867,118.5734211,54.61892086,54.32255424,51.38501815,56.97357181,54.98756456,51.91145621,46.14774953,50.07307243,62.01076551,"HMDB0007940","M-H","C41H78NO8P",41.1,-3.060551241,"PC(15:0/18:2(9Z,12Z))"]
["11.19_529.5297m/z",529.529661,11.185,"pos",0,0,0.810976567,0,0,0,1.552210604,0,0.73219768,0,0,0,0.46389772,0,0.850700404,0.384625127,0,5.202960755,0.319342906,0.974277046,1.066588303,0,5.838010537,0.329013038,50.02397024,64.32467398,55.69493353,61.48898906,58.85121137,55.49864596,53.35262584,52.632214,"HMDB0011759","M+NH4","C32H65NO3",41.1,-1.191517913,"Cer(d18:0/14:0)"]
["8.11_449.3479m/z",449.3479416,8.112083333,"pos",66.46196603,58.88645054,77.63914687,57.45199068,50.98004687,58.52555155,74.42093086,48.75943065,67.95575502,50.65815371,54.1861333,74.00111785,66.62953,58.07605688,55.39076687,48.85043138,85.35955128,109.5291924,90.00720652,95.61139215,86.52075313,83.08591227,102.6706584,119.644713,80.85242702,79.02424973,74.46736529,67.99886772,77.51960291,80.3317626,78.49514968,75.89967579,"HMDB0012082","M+H-H2O","C23H51N2O5P",41.1,-4.995100586,"LysoSM(d18:0)"]
["2.64_330.2387m/z",330.2386697,2.64175,"pos",12.70092032,25.32674257,16.08494364,14.17036881,14.18438328,26.50201574,16.67251414,13.00967868,17.65349791,5.495725874,8.66879888,6.041745208,7.414532686,5.565929887,9.306480571,5.603729829,4.66688619,2.602650883,3.352159902,2.412067615,4.573819202,3.571226112,2.249328584,2.370863354,9.662971409,7.719717665,7.842309125,8.773763017,10.4662544,9.821201019,9.000881473,7.981956022,"HMDB0014343","M+NH4","C16H28N2O4",41.1,-0.202519246,"Oseltamivir"]
["8.16_421.1542m/z",421.1541765,8.16305,"pos",758.7296671,666.8534894,604.0309179,692.3408855,527.2667812,552.4065854,597.4783351,629.1912338,616.6991969,744.3169233,571.7393462,670.4240192,540.0285611,694.2120951,577.4155777,651.8543949,486.5973721,651.2395041,505.1573872,543.1439841,424.9131863,491.5767479,613.4478562,508.7029626,666.9197705,636.2023579,620.0279672,687.2094695,635.874644,618.3638581,594.5557779,560.7278566,"HMDB0015699","M+K","C22H26N2O4",41.1,4.607972594,"Tofisopam"]
["3.62_532.1235m/z",532.1235197,3.617833333,"pos",5.082154192,10.12917988,17.64520962,7.907435385,6.601531399,10.26617701,15.4339102,7.856867365,11.33876665,9.092390711,6.691993074,11.80007368,9.36077344,8.987097313,6.373492172,10.92797548,10.48245706,7.625706769,8.35641188,3.947956325,8.976518552,10.34687276,6.798151836,7.910985356,8.35542121,8.310359667,10.02202093,9.833490796,8.041208019,8.131888636,7.920269097,7.104667225,"HMDB0029237","M+H-H2O","C25H25O14+",41.1,4.329600373,"Cyanidin 3-(6''-succinyl-glucoside)"]
["6.45_695.3269m/z",695.3269005,6.450033333,"neg",15.22676917,10.69728216,10.88217536,12.96208695,10.89604352,8.215354435,10.16594405,18.52372797,9.398923621,7.321767163,15.0804538,25.73809476,15.65871633,7.967360081,11.80122688,19.76948484,23.95800905,16.11083166,16.6963975,23.97881153,10.57384741,36.50314651,18.15342504,14.67697287,11.64951946,15.55027834,15.66544897,15.92531538,15.6151734,15.00497762,18.25186494,14.71270175,"HMDB0030076","M-H2O-H","C35H54O15",41.1,-2.140917258,"Cheirotoxol"]
["12.33_481.3304m/z",481.3304432,12.3284,"neg",3.839101277,0,13.0777866,9.284145842,0,0,10.88685648,7.517261195,4.227280338,2.643500575,0,0,0,0,0,1.588410591,0,5.490612168,0,4.280377968,7.36814924,0,6.920111172,0,13.59299893,11.71004759,13.0521901,13.02706709,15.00566457,12.22696398,13.30890417,8.876935704,"HMDB0030395","M+FA-H","C30H44O2",41.1,-4.332212179,"Manglupenone"]
["9.83_325.2376m/z",325.2376469,9.831016667,"neg",282.3004694,232.3348444,253.693249,266.0100914,344.8851438,229.6989727,259.2965651,270.7508771,312.8002258,333.1289612,353.404721,420.5351313,371.1351236,329.0207134,365.8097783,425.2172224,453.511618,349.4566509,372.6895141,290.4240652,338.1295422,454.1533774,343.2889198,379.7105862,381.0325043,364.0494682,356.8297414,367.3177326,371.8514355,375.6249247,359.382152,377.0490427,"HMDB0031051","M+FA-H","C18H32O2",41.1,-2.805678037,"Ethyl 2E,4Z-hexadecadienoate"]
["8.95_341.1966m/z",341.196623,8.952066667,"neg",125.5354126,69.69744753,44.25606927,76.65296976,97.46789694,72.45994447,45.00439514,76.26613811,83.20361082,48.56308871,64.13094173,81.17128822,36.42327647,46.50376855,67.32346852,83.07813078,12.10943481,19.90825111,28.42061169,25.50904619,20.07693174,12.66902449,18.45152586,24.25726229,62.48077976,57.5964213,58.09458161,56.98350793,60.73553614,63.46678093,62.52120753,65.57320093,"HMDB0038798","M+FA-H","C17H28O4",41.1,-1.145304669,"(1(10)E,4a,5E)-1(10),5-Germacradiene-12-acetoxy-4,11-diol"]
["9.02_955.4912m/z",955.4912098,9.0154,"neg",75.83180956,21.39654729,15.63449944,14.96194474,15.32720578,21.24297653,13.65988451,15.57649807,43.86434896,7.058093519,10.47449708,78.64137591,10.09789507,6.572586684,14.76982669,71.385133,4.032251407,44.70801401,15.43325542,21.72074493,7.418106215,3.692696013,40.04569828,17.8702855,15.83284592,19.2993028,15.23668782,14.33156643,17.18707801,14.83692068,17.00370477,9.399821872,"HMDB0040880","M-H","C48H76O19",41.1,0.424461681,"Phytolaccoside F"]
["8.78_415.3199m/z",415.3199313,8.77895,"pos",88.37094508,22.84892082,33.1762175,13.7972757,31.98002341,21.36615669,27.62210171,15.65797169,31.37506401,1.597960409,9.135115191,27.54804364,9.418075562,3.309164292,8.73251075,25.53239991,0.443109461,18.28749798,16.65210279,17.1328355,4.804545666,0.426301093,19.57689566,15.41133901,14.39916888,15.88232852,15.64196639,16.60346137,16.7271716,17.62356999,13.29356113,13.38373108,"HMDB0060134","M+H-H2O","C27H44O4",41.1,-1.712387924,"23S,25,26-Trihydroxyvitamin D3"]
["9.80_279.2317m/z",279.2316915,9.8045,"pos",466.5395492,923.2654435,603.8881972,556.8924833,689.4809713,937.4407736,559.8000788,542.6431793,853.6600302,590.7141662,670.1522506,645.6160516,543.8228886,621.4031424,640.1229861,656.0524935,703.2131109,443.0167722,476.7208824,525.7669452,819.5228886,683.9276659,382.4500904,440.7848219,629.5010135,606.3307723,607.1891883,663.8890675,612.5939337,663.4410699,637.5345279,628.9717229,"LMFA01030777","M+H","C18H30O2",41.1,-0.593518898,"octadeca-11E,13E,15Z-trienoic acid"]
["3.24_405.1756m/z",405.1756335,3.24235,"neg",11.9988642,6.859082852,10.45758885,10.86814206,6.364441313,7.404159224,9.174777735,11.36052525,13.889758,12.64621928,11.31239382,17.69352138,16.21508517,13.18101763,10.42333164,16.33934499,17.82484438,17.66082409,16.29366959,16.62643357,10.41756732,16.79743331,25.7963123,17.89854468,15.65759784,12.93433055,12.44287286,15.28473959,15.69058427,14.50747627,14.80348119,15.86777735,"LMFA13010039","M+FA-H","C17H28O8",41.1,-2.741053458,"1-O-(8R-hydroxy-8-methyl-3Z,9-decadienoyl)-beta-D-glucopyranose"]
["2.53_359.1704m/z",359.170432,2.5264,"pos",3.39669561,3.260858645,5.509226139,5.341954603,5.257066935,3.307764794,6.200027601,4.861289865,3.413790163,5.526986317,4.590616519,4.54354401,6.464622188,6.647256607,5.308500972,4.031084486,6.091749425,7.678373217,8.170440692,6.427036967,7.058643136,5.570397408,5.494711622,7.765068599,5.529670007,5.26976845,5.306705073,5.030247075,5.293548114,4.976334946,4.995109349,4.97614664,"HMDB0001431","2M+Na","C8H12N2O2",41,4.331041457,"Pyridoxamine"]
["9.20_315.2537m/z",315.2537158,9.19705,"neg",83.96820342,67.13360107,86.37169756,75.23669109,68.35194868,68.2240993,82.15367997,75.4318537,72.78372009,69.02694873,74.03233536,94.86725948,76.75568896,69.93442473,72.5802175,61.10435502,87.33789364,93.03428881,87.36354288,94.12592776,85.75899856,88.18370376,100.3953956,116.4237677,73.18096446,79.02999911,76.65846765,78.70573551,78.67731336,81.13731058,78.37079191,85.02737587,"HMDB0002259","M+FA-H","C17H34O2",41,-1.359351473,"Heptadecanoic acid"]
["14.55_716.5212m/z",716.5212046,14.5537,"pos",954.2754576,524.9771972,489.5294935,262.7598613,287.4999907,500.1209708,482.3455001,234.2936588,935.8375519,379.1144148,416.3700064,406.8270448,443.6683898,375.2195491,406.6712645,437.6385684,907.905959,1114.555338,669.0739324,1197.205213,594.8500587,955.4696899,1115.431145,673.9609333,389.720209,494.8028788,514.6659326,415.7201186,388.4609838,409.3364293,527.7639887,476.0077242,"HMDB0008928","M+H","C39H74NO8P",41,-1.784415241,"PE(16:0/18:2(9Z,12Z))"]
["12.52_358.3080n",359.3153205,12.51751667,"pos",8519.285112,9082.677938,6533.266902,7073.447314,6910.313004,8689.30424,6321.551089,6872.150168,10361.74464,10252.97059,9493.158651,8803.002301,10165.47877,10121.83004,9227.469368,9379.184822,14399.10486,14794.32526,9593.612369,14286.21191,13107.87315,14337.67968,14185.62095,9717.576457,41849.35381,41308.81339,41967.78325,42477.30099,44183.75939,44089.98393,39543.24285,40102.39566,"HMDB0011131","M+H, M+K, M+NH4, M+Na, 2M+H, 2M+Na, 2M+NH4, M+H-H2O","C21H42O4",41,-0.741566739,"MG(18:0/0:0/0:0)"]
["7.26_689.3371m/z",689.3370615,7.264983333,"neg",9.152847768,8.097107994,9.407932468,19.80910644,23.08503279,7.672806405,7.290208941,19.78374994,7.832150256,28.88521975,25.76550705,30.67143246,29.51615689,28.84490529,20.85663367,37.022585,90.47359247,48.39771527,66.08899806,51.8047323,40.05153539,81.24862389,48.54474113,62.17546489,30.76256384,31.86489376,33.18915777,28.12272169,31.10617351,35.47833171,28.43027271,29.87561476,"HMDB0030736","M+FA-H","C32H52O13",41,-3.000082325,"Capsianoside IV"]
["8.47_307.1910m/z",307.191049,8.468266667,"neg",890.1597917,842.4958673,845.4745618,966.1723826,652.565057,901.5373849,886.2152956,977.4762298,887.1880114,1061.516566,780.3132778,839.3331956,924.6005297,1056.208641,812.5780331,854.7853397,945.9917369,1049.079296,1016.595053,960.5937007,979.3478043,911.4855397,1008.885994,1011.121934,769.4820929,809.2877022,785.8304526,825.7408274,820.1313206,832.1860071,839.6280742,810.4847324,"HMDB0032501","M+FA-H","C17H26O2",41,-1.655109757,"Santalyl acetate"]
["13.83_713.5428n",758.5412546,13.83248333,"neg",92773.41056,86643.44881,90346.88326,75414.63545,86243.19729,80268.02952,87472.93612,74109.6433,70201.54336,84939.2293,75410.2626,71645.95928,91260.43805,86626.0544,76862.23177,71704.98899,81071.31483,96017.93832,93612.41883,98922.76315,81721.8329,80022.03428,95950.70128,88967.22277,72161.31482,71791.90426,75241.09039,69782.12492,73148.18186,70539.98721,73143.54067,74314.17907,"HMDB0032677","M-H, M+FA-H","C40H75NO9",41,-1.8950074,"Soyacerebroside I"]
["12.20_372.2308n",395.2200335,12.20348333,"pos",412.6174192,453.100812,378.4785938,413.9402651,401.4127472,414.8255483,391.0932452,387.8554233,478.492889,438.5056043,404.7486631,387.0695268,393.7974825,394.074826,371.7327738,327.5307956,441.6530495,464.6440874,409.7578407,507.8118315,442.7855595,452.4603395,417.122471,400.3754344,451.4112728,421.6205992,464.4276214,453.1803635,442.9058376,400.6208608,419.0429837,383.2467501,"HMDB0032784","M+Na, 2M+K","C23H32O4",41,2.023749797,"5-Ethoxysorgoleone 358"]
["9.50_677.3167m/z",677.3166667,9.5007,"neg",1116.498215,509.0074867,550.7425117,772.09331,583.5827336,483.8188279,520.3352783,749.5751112,238.9469021,297.2051252,613.5412273,635.772884,558.3189718,296.2507961,663.3560873,655.276058,202.33792,338.1397303,327.5610157,433.4290047,217.7886073,217.5911132,328.8687607,345.1982693,534.4551975,567.2362108,540.6895728,573.4607483,587.9873989,572.0386896,559.1528035,548.9965622,"HMDB0033207","M+FA-H","C34H48O11",41,-1.895392254,"Coagulin R 3-glucoside"]
["12.17_871.2680m/z",871.2679635,12.16873333,"neg",9.734762795,62.72040916,61.08859269,38.25348565,45.77608624,58.41638891,61.80367703,33.53750469,76.73898416,95.61850705,53.31448295,15.66612945,96.95990474,84.94651095,54.4190743,49.80984255,119.2789891,79.1445309,94.75855658,76.64818511,191.3317518,118.1297126,82.78755368,36.18750471,55.81024685,68.66630112,74.49728695,77.91682326,64.82099205,46.10583364,45.49917175,48.32494125,"HMDB0034573","2M-H","C21H24O10",41,1.543102552,"Phenethyl 6-galloylglucoside"]
["12.73_585.4136m/z",585.4136237,12.72705,"neg",302.1051672,333.862066,267.8639964,339.7502763,229.4606712,343.7084954,270.8341144,355.1559888,407.7576539,413.4542381,361.0768548,357.1750016,407.0235681,408.0129469,376.7632418,340.9464014,395.4010842,314.5443636,233.5715355,273.5481234,384.4514049,388.161654,299.2648194,237.3723313,313.3491914,322.6046656,329.7556777,319.3292263,309.4631123,316.3537798,311.0121135,311.5563304,"HMDB0036060","M-H2O-H","C36H60O7",41,-4.035852224,"Hebevinoside IV"]
["6.23_484.2303n",502.2641389,6.225966667,"pos",6.816933807,12.20914832,225.4926748,194.1546968,13.45884785,12.14996976,198.8295441,177.3195596,79.36649019,15.19404109,128.8336849,7.330884423,16.94634075,18.48641371,137.2147855,7.56234795,5.056137987,552.6197987,298.7794183,430.3328701,223.0395393,4.97449586,492.5331576,280.2883842,68.64322036,70.67317669,63.0918748,70.36125502,71.59141065,87.91277698,88.97180399,79.1894655,"HMDB0038238","M+NH4, M+Na, M+H-H2O","C24H36O10",41,-1.102689949,"Plantaricin BN"]
["7.01_823.3175m/z",823.3174785,7.0086,"pos",94.88886772,79.04144742,109.651853,142.0226124,53.61760868,80.52482579,100.6331952,126.5076149,89.71324605,79.53885324,71.65136781,113.1440647,67.32828083,77.2816207,76.72354593,115.4545524,138.1154664,81.64420566,74.38766712,62.61247764,84.2062887,130.8448503,72.50505994,84.36906014,87.37992023,85.05997509,86.95247358,89.99631692,83.78443833,91.66805652,78.45497757,69.63145026,"HMDB0041278","2M+Na","C20H29ClO6",41,-2.842439281,"3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide"]
["10.24_423.3100m/z",423.3099641,10.24118333,"pos",1.138495431,2.244700856,1.854204485,3.704217953,1.704685293,2.033106544,2.560347988,5.798213228,2.435474527,8.203579159,3.253798913,7.704914029,3.9850937,7.901547859,3.697410671,4.272043028,10.65255609,9.183516185,6.264014429,9.533850074,0.892220488,9.095921273,8.582259439,6.097204053,6.591795725,5.672281703,3.78972959,3.990050999,4.99259542,4.410060356,4.410723459,7.764291602,"HMDB0059929","M+Na","C23H44O5",41,4.668634208,"3-(Acetyloxy)-2-hydroxypropyl octadecanoate"]
["12.13_385.3186n",424.2815352,12.13015,"pos",352.856227,354.9612803,290.5281598,149.9307934,152.9474419,349.1722184,294.3779024,250.2421873,1057.955042,194.7711778,198.9891821,1105.661473,651.9238697,176.237092,187.2580212,1071.45057,489.3152397,248.7618146,201.6212763,269.9995853,249.8115107,455.5218572,224.0388054,207.4809803,984.0845957,953.2329817,1033.658822,1125.861739,1158.07902,1177.732539,1129.745435,1144.242822,"HMDB0062517","M+H-H2O, M+K, M+H, 2M+Na, 2M+H","C22H43NO4",41,-1.548594867,"Pentadecanoylcarnitine"]
["0.64_128.0586n",127.0512604,0.637166667,"neg",296.0079062,376.2294872,379.3902515,278.5225527,304.9207972,367.1048768,379.1390564,317.8961779,360.3530914,220.7701673,317.02983,243.9706148,338.8297205,226.6096511,249.9095032,232.8609145,284.9146641,361.2519168,302.6713923,264.6206731,408.3104111,292.4101855,356.0683588,244.2012019,300.7544327,299.9322846,306.4394505,322.9703912,325.9219464,336.9354944,319.714307,374.8862786,"LMFA01100037","M-H2O-H, M-H","C5H8N2O2",41,0.251285783,"4-amino-4-cyano-butanoic acid"]
["7.43_230.2476m/z",230.2476044,7.428216667,"pos",142.5905319,127.4381029,144.2865926,145.2153001,99.23888823,136.8391309,139.0388937,146.7866446,126.1129564,172.6498551,122.3446779,149.038563,144.508292,176.9554457,107.2006178,101.4481429,130.8810105,162.3723595,132.5680929,141.5436477,128.070104,121.6039694,139.903277,148.6804499,239.9717598,230.156677,233.3181648,211.53989,237.8592181,221.4541952,204.069918,196.5181279,"LMFA05000173","M+NH4","C14H28O",41,-1.115269001,"11E-Tetradecen-1-ol"]
["8.76_494.2867m/z",494.2867413,8.758466667,"pos",12.13756624,28.95727839,28.76406525,18.42086135,24.86988876,27.77341592,25.24052518,19.56073427,42.63485789,23.8919776,19.50171245,23.96466793,25.92632823,24.65244216,20.26735553,26.06070239,57.80599915,26.15113008,35.71900611,24.75552132,60.01314924,55.64861015,24.72338523,33.01257316,30.66764639,27.80310156,27.62524417,29.58605091,29.79081835,26.98499615,24.35121905,24.81510157,"LMGP03050030","M+H-H2O","C23H46NO9P",41,-1.934544792,"PS(17:0/0:0)"]
["9.31_593.2718m/z",593.2718308,9.312883333,"neg",1001.055834,1079.646046,935.8065164,1292.868579,1243.334521,1128.327444,967.3315295,1226.245077,976.3076299,1566.683714,923.1761909,1066.17666,1203.246538,1550.925233,950.3610363,1137.073585,1475.441679,1372.473693,2125.79011,1505.081294,1304.517721,1439.703249,1436.201821,2185.585012,1132.231811,1102.440998,1138.250777,1074.421752,1143.082718,1148.159473,1102.904749,1188.03722,"LMGP06050016","M-H","C27H47O12P",41,-2.366533449,"PI(18:3(6Z,9Z,12Z)/0:0)"]
["1.36_158.0808m/z",158.0807727,1.358516667,"pos",82.79789664,52.18664364,118.1160693,108.8583444,65.75203745,54.43008369,117.1164385,108.5698548,64.11916836,86.45499086,66.4774375,81.51597533,85.96248036,85.44350517,71.67071426,84.72867426,73.0479747,144.2060695,71.6846204,121.8809606,61.67603171,76.11110888,129.0644018,67.75540982,86.67199933,80.19549376,71.660364,82.97092006,80.76583983,79.77440478,72.95426689,74.61602792,"HMDB0002201","M+H-H2O","C7H13NO4",40.9,-2.26712676,"N-Carboxyethyl-g-aminobutyric acid"]
["8.66_421.3183n",460.2688794,8.661083333,"pos",2997.609189,2723.145622,2683.428805,2550.299399,2395.379638,2573.689563,2801.057668,2592.154376,3329.440256,2961.835958,2071.424675,1975.52234,2452.228707,3022.191134,2087.438491,1961.502951,3200.399428,3027.75447,3324.466083,3307.967543,2383.144477,2649.972105,2598.094381,3055.292523,5710.065054,5515.225188,5221.806765,5753.516464,5891.597428,5385.995786,5097.090816,5173.292315,"HMDB0006318","M+NH4, M+K, M+H-H2O","C25H43NO4",40.9,-2.068399665,"Gamma-linolenyl carnitine"]
["15.14_589.4812m/z",589.4812045,15.14411667,"pos",431.8220815,621.7695315,432.6059072,365.7243682,455.3333654,608.5706748,462.2767114,367.9837567,615.6294017,395.215542,501.2669236,527.8723688,471.9738751,395.5663628,518.8517298,594.9134589,486.2504239,481.4401545,555.2606619,384.8671279,637.8051404,461.8669327,497.1795138,529.8261246,193.5784596,402.1573405,366.5511093,222.0756873,295.6332505,245.1394702,340.5219147,321.269977,"HMDB0007099","M+Na","C35H66O5",40.9,1.692249979,"DG(16:0/16:1(9Z)/0:0)"]
["11.59_378.2982m/z",378.298181,11.59195,"pos",46.88068576,31.00469529,44.26801067,42.35690296,33.98956011,32.38043515,42.26124568,38.63782846,31.50479718,32.11830848,36.94125469,35.19333572,33.78750895,27.76975954,32.26283859,34.3751817,34.16690284,54.95407531,44.8003135,47.95191712,37.35970848,36.62995326,53.86492885,49.84667809,31.20840591,34.59915863,35.9733466,41.98931823,40.45967375,43.60497231,43.85706489,41.48691869,"HMDB0013303","M+Na","C21H41NO3",40.9,0.889781137,"Pristanoylglycine"]
["0.87_723.1779m/z",723.1779492,0.872866667,"pos",23.77611163,7.804999625,9.558879073,13.53393041,8.108216836,6.113326808,11.03045862,13.55063151,18.72515356,28.32654863,3.907972051,12.59847061,11.85763556,30.77438554,4.093763611,15.02522488,3.744669365,39.68250929,16.56023349,27.28492417,14.6810552,6.042663098,30.45747764,16.34143124,13.36210619,14.88105497,12.64695788,14.81095574,14.42270808,11.56444493,11.73361772,9.88146571,"HMDB0014561","2M+Na","C16H18N2O5S",40.9,2.061111387,"Penicillin V"]
["11.29_363.1753m/z",363.1753017,11.28811667,"neg",10.68070809,9.826260604,12.40239211,9.337213191,8.176829431,9.419126974,14.80681665,9.494709379,12.90261662,8.248586067,8.414009899,9.601013907,9.118568064,7.457969697,8.127377913,9.071899825,11.41850016,19.64536427,11.75089539,15.9407508,12.55237252,9.405682354,14.10436331,15.02350524,12.76841148,13.53497037,14.91291093,13.28367391,14.60458551,13.53873399,14.20963693,12.82568624,"HMDB0014989","2M-H","C6H10N6O",40.9,-1.756791822,"Dacarbazine"]
["3.20_361.1492m/z",361.1491713,3.1997,"neg",7.863959035,6.131148702,7.494704527,6.317122406,3.026272037,4.887947251,6.250598103,7.216913417,7.825850431,7.72525439,3.898554996,7.672799143,8.550096599,6.586877507,5.691144733,6.285841731,4.837918645,7.910313173,6.641876922,7.869805348,8.30246996,3.952792217,8.928417506,6.902672469,4.537632052,6.733521739,5.877579352,6.3222859,6.475135871,6.542930277,6.597212506,9.37588588,"HMDB0031954","M-H2O-H","C16H28O10",40.9,-3.247667764,"3-Methyl-3-butenyl apiosyl-(1->6)-glucoside"]
["1.86_167.1308n",185.1646886,1.862316667,"pos",291.705925,138.4055808,115.1591093,194.2648845,125.7408196,149.9076808,125.7035281,211.1978306,228.908084,227.8382298,239.648747,294.0033856,166.6207092,230.1335934,234.4228163,284.5391301,239.2943828,416.4035136,357.9963792,385.1662116,163.4580433,252.2129381,418.5662449,355.6476915,246.8363025,233.6168314,221.7733674,243.7190024,241.6733139,253.7781652,222.1854401,222.1009968,"HMDB0037885","M+H, M+NH4","C10H17NO",40.9,-1.235423038,"5-Butyl-4-ethyl-2-methyloxazole"]
["3.04_449.2015m/z",449.201456,3.038366667,"neg",35.07833177,31.17629592,44.56326383,33.89083157,33.77448943,31.63773423,45.15361971,32.83671022,50.78728251,43.9749626,38.13987386,47.93588592,52.97640878,47.45623059,36.64666438,49.51157445,47.15598144,63.83149406,50.25443013,50.40932938,41.69650601,48.05789482,61.07807838,50.01936235,44.00847648,43.39989685,43.30638197,43.67008644,42.36752579,45.26785272,45.55732609,43.66396951,"HMDB0039947","M+FA-H","C19H32O9",40.9,-3.412821397,"Pisumionoside"]
["6.53_618.1385m/z",618.1385252,6.530783333,"pos",79.80391665,88.5636298,83.27759601,79.91254098,74.46154313,79.78719151,77.4875264,78.71279902,73.68604078,84.46124084,87.70547094,72.02165758,80.11376039,85.34550203,81.24163347,70.83792482,81.68819461,76.70805912,60.56489824,72.88905755,82.16049174,71.41266236,66.49366645,60.05676571,80.49880042,89.29187076,76.26454836,83.10647748,82.59816841,77.31057708,71.77454544,72.19806789,"HMDB0060431","M+H-H2O","C27H29N3O13S",40.9,-0.465349441,"Aflatoxin B1exo-8,9-epoxide-GSH"]
["1.57_448.1936m/z",448.1936219,1.572416667,"pos",75.6361521,83.16306697,133.5881853,101.2656311,78.08128131,86.6416967,129.5158291,92.27480926,147.5820454,75.87518649,98.02922936,85.41141866,94.36957361,71.43041692,99.04197609,100.3270869,130.7962335,125.8942287,73.80312928,92.66173605,119.6444416,119.0641348,117.7983344,68.06002851,105.7161643,105.3686579,95.55729708,101.1046498,102.4568346,96.86352967,94.52895604,92.65241158,"HMDB0060856","M+Na","C21H31NO8",40.9,-1.330442975,"O-Desmethyl-tramado glucuronide"]
["6.47_639.3354m/z",639.3353678,6.466133333,"pos",0,0,0,0,0.475994736,0,0.129303058,0,0,2.828663011,2.998086364,9.768212385,0.235744594,2.68904442,2.194211079,8.423552068,33.11718274,18.49332341,14.53359974,18.92397982,20.27813259,32.00417026,17.47957751,16.27069233,9.052710848,5.291948045,7.688114645,9.472379916,7.852805852,6.836796386,6.425469318,6.339763089,"HMDB0060990","2M+Na","C16H24N2O4",40.9,-1.731794229,"8-Hydroxycarteolol"]
["0.91_306.0775n",307.0847701,0.905616667,"pos",25.44333635,35.17425233,104.9730505,48.25483712,76.75905485,39.37982412,108.2376057,46.89779528,81.30404735,52.56019063,66.28578421,63.74240364,88.80133743,51.16326123,58.67090771,60.38159156,88.22788223,82.05663047,95.14888175,70.52773777,146.1981421,91.98987463,84.48458305,89.17243781,75.08486181,77.79999008,76.15528709,76.24005786,82.11772917,83.31682373,76.20292413,76.23683063,"HMDB0062697","M+H, 2M+K","C10H16N3O6S-",40.9,4.941307837,"Glutathionate(1-)"]
["3.02_259.1550m/z",259.1549782,3.016866667,"neg",0.357534027,0.397966812,0,2.191887521,0.672038897,0.402706766,0,3.035458441,4.84518158,2.297503393,7.435435083,9.084254157,11.28945215,1.960687477,12.3444813,11.3842125,12.54947282,13.64888933,7.978550918,12.01751032,7.687907882,15.51875464,11.13141917,10.87394975,7.172717607,5.660790265,6.375954527,5.152833905,4.095828655,6.128040641,5.099096773,6.1342332,"LMFA01060040","M+FA-H","C12H22O3",40.9,-0.556811263,"9-keto lauric acid"]
["8.00_344.2561n",367.2453279,7.995666667,"pos",2646.051092,3505.629233,2270.85995,3249.158578,3048.608899,3364.706073,2061.13978,2954.533771,2105.094074,1681.091014,3039.217741,3104.675883,2672.249225,1608.585959,2765.337584,2972.660564,1466.588486,1239.701573,1571.313578,1211.060901,1778.804095,1385.837028,1184.940631,1481.204194,2212.739187,2333.992267,2117.835601,2228.160563,2303.551064,2393.189729,2189.042652,2202.479448,"LMFA01080006","M+Na, M+K, M+NH4","C19H36O5",40.9,-0.485217978,"12,13-dihydroxy-11-methoxy-9-octadecenoic acid"]
["13.43_860.5618m/z",860.5617613,13.43433333,"neg",10.62636417,22.58130517,12.663094,11.61672472,38.08271147,21.73650963,14.31803648,10.75584648,16.30755443,23.54561976,28.34399516,12.16284473,10.02658302,24.25542519,26.39870519,9.054002579,31.00981437,16.99676622,17.21766711,21.38410572,19.63371983,28.6793816,12.9766394,17.98404835,21.10088563,18.00430365,16.09826781,15.20367743,21.3756655,18.66525587,15.50730657,22.9239632,"LMGP03010200","M+FA-H","C44H82NO10P",40.9,-4.997795627,"PS(16:0/22:2(13Z,16Z))"]
["2.19_377.1454m/z",377.1453924,2.189183333,"pos",146.6321416,112.9136649,49.4945812,92.59510394,79.41163988,102.1064762,47.7709007,88.39773217,82.40186586,62.04342993,79.8837419,116.6136461,60.95946443,61.61466903,73.98197067,125.0444023,45.83030805,67.44315253,60.28757462,76.4123972,44.38193047,44.63600745,64.74542998,56.7579687,77.6149155,80.19134328,74.07721095,81.56737179,80.37070747,80.68848153,71.52148011,71.71997243,"HMDB0000244","M+H","C17H20N4O6",40.8,-0.447646331,"Riboflavin"]
["6.84_688.3009m/z",688.3009298,6.836716667,"pos",8.456413936,3.591578024,3.226628914,13.46825473,2.525381373,2.045809548,7.691494139,15.03367987,10.13710956,9.114039134,15.34196331,37.80449355,7.778648588,5.475371011,16.88487836,34.22890866,78.10394291,26.71758536,18.62464124,14.86340922,11.25046633,75.70821793,24.23402378,19.77193138,24.49535297,22.90985234,20.12507785,23.44233673,27.06362957,25.86368864,23.4473189,20.12990554,"HMDB0000489","2M+NH4","C12H21N3O8",40.8,2.05138483,"Aspartylglycosamine"]
["12.90_327.2896m/z",327.2895924,12.90386667,"neg",40.85658017,35.71191869,39.38069253,44.91609452,41.55532166,36.57872021,42.30262082,48.32622363,11.30920298,46.15130634,20.07022128,19.23374566,24.85807778,48.77887929,23.89868116,18.03418191,14.01308872,22.47499222,24.86326151,26.96326335,11.1530923,14.00374578,23.09197626,28.18563114,23.43303896,23.0691711,22.62140824,25.45033556,25.94527257,23.45019583,24.9437276,23.74532063,"HMDB0001958","M+FA-H","C19H38O",40.8,-3.104420608,"Pristanal"]
["13.47_570.5081m/z",570.5081,13.47063333,"pos",119.6594962,177.5153919,148.3192548,109.1713898,106.4511256,180.2970574,146.3815127,124.5103502,151.0329936,103.0803189,69.43588721,71.64246872,112.9500077,101.7592523,73.59800942,64.14388938,95.20546928,100.4596498,119.5614968,101.8170921,125.6379181,86.36992019,108.5755135,110.5165208,61.76584841,101.0030464,96.52001757,68.22775549,54.54995447,74.2778291,77.25481659,89.20039819,"HMDB0007070","M+NH4","C34H64O5",40.8,-1.992286627,"DG(15:0/16:1(9Z)/0:0)"]
["15.44_616.5053n",639.4945291,15.43975,"pos",9161.619494,10874.20763,5922.8908950000005,4376.22281,7122.1484,11944.62383,6458.037862,4776.94276,7404.694242,2867.376047,4577.507562,3001.887507,6432.155536,3168.417205,4984.535656,3682.717799,8681.658096,5121.240134,5089.928789,6053.661249,6993.941035,8701.619681,4990.583667,4607.868334,4003.032409,3341.530321,4844.558978,4298.563979,4084.1312,3959.237951,3188.654942,2715.147436,"HMDB0007191","M+Na, M+K, M+NH4, M+H, M+H-H2O","C39H68O5",40.8,-2.217057036,"DG(18:1(11Z)/18:3(6Z,9Z,12Z)/0:0)"]
["10.72_433.2347m/z",433.2346876,10.72331667,"neg",838.3043896,3231.750669,4791.627039,2232.62903,3352.799784,3437.089066,5045.163393,2196.126949,2644.026627,1641.546745,1981.086418,1458.574678,2985.779394,1633.077839,2008.200158,1487.531654,4074.983015,1896.465432,2641.199628,1776.818305,5972.399877,4185.563145,1956.887411,2644.337773,2000.472276,2095.45216,2141.422424,2108.202261,2083.250114,2133.365229,2206.083991,2230.753384,"HMDB0007852","M-H","C21H39O7P",40.8,-3.16910063,"LPA(0:0/18:2(9Z,12Z))"]
["13.32_501.2390m/z",501.2390444,13.31535,"neg",6.530616271,9.80178388,8.283374509,5.609724058,9.371008768,14.83708227,5.340507292,4.862474729,9.722018765,6.587887395,5.02913633,4.660963014,6.980193394,6.510677605,6.411066806,6.324043875,7.453256848,0,2.857630454,2.730416145,4.778857161,6.570718776,1.814838051,1.207339331,6.980034848,6.564909843,5.917369578,5.557529191,5.545350344,4.005525032,4.681958697,6.560198467,"HMDB0011116","M+FA-H","C20H42O7P2",40.8,0.579944044,"Phytyl diphosphate"]
["8.30_285.1022m/z",285.1021725,8.2969,"pos",37.47188441,36.39370852,46.03825768,22.50999251,35.64448617,31.03846536,41.86469653,27.60574857,18.11285755,12.07419264,10.88388754,12.00411833,17.84054052,11.31041028,18.64327143,23.36841531,45.14194566,33.34281465,20.28614257,26.35923356,16.38106628,20.60528998,23.18123634,20.54879994,37.7102467,37.23372925,31.55899232,26.0666453,41.09092105,19.92510612,17.94441325,16.73614174,"HMDB0015688","M+NH4","C11H13N3O3S",40.8,2.18941549,"Sulfamoxole"]
["1.92_344.1112n",362.1450633,1.924933333,"pos",35.18831977,22.00648143,19.42376007,20.86710484,20.40055309,19.40238585,19.69560922,23.03410333,21.961806,36.741528,36.07273005,34.40374058,26.45338795,38.39606123,36.49330326,35.81249351,40.98137255,54.20030321,53.60565035,48.53857207,25.93375301,38.98944234,54.57281718,49.54890235,38.81908438,40.56283791,35.9820721,36.32506379,34.94573474,37.04030983,36.60693956,35.84137215,"HMDB0029647","M+NH4, M+Na","C15H20O9",40.8,1.469156071,"Domesticoside"]
["15.05_577.4813m/z",577.4812881,15.04508333,"neg",175.7336261,173.4017265,124.2802965,120.3923508,159.2096799,150.5680628,113.1810233,123.906389,136.7917905,159.888105,114.8079527,94.42414868,105.4403177,150.8017379,113.7576792,85.20027956,86.08082931,90.88183491,98.59150857,72.91059621,68.03757838,85.9162836,87.39696499,88.13208631,103.7695581,102.8337705,101.7845475,102.6990579,97.33237752,90.20574236,110.5791685,103.218151,"HMDB0031396","M+FA-H","C35H64O3",40.8,-4.621168652,"Reticulatamone"]
["2.07_293.1238m/z",293.1238324,2.074583333,"neg",102.2634676,93.77915969,196.1476401,137.4247754,152.6392328,92.72196251,202.2997923,132.1238586,103.2308827,152.1116172,125.7987074,96.23856835,201.2666203,154.5416574,126.2530304,101.027494,178.7047619,262.2480588,191.0157241,220.478481,156.6018106,178.9910151,262.1645748,185.1166786,131.3292038,134.9648552,126.8430805,131.9972939,131.1083746,138.308909,133.4784153,134.740762,"HMDB0031876","M+FA-H","C11H20O6",40.8,-1.4461695,"Prenyl glucoside"]
["8.26_345.0368m/z",345.0368032,8.255133333,"pos",52.4444634,4.668387288,0.337305616,153.0228134,8.855972357,3.753920057,1.506213189,146.528629,144.496415,348.9925934,77.71962111,276.0267384,60.48813384,321.6526668,72.80408019,276.1750752,49.60244026,24.97095522,39.66125556,10.61991107,16.64358723,50.36161523,26.82504701,40.23196159,126.2949808,122.1904441,120.6683095,126.281789,131.2618646,125.9441784,115.2709504,118.8896775,"HMDB0033559","M+Na","C18H10O6",40.8,-0.483043334,"7,7'-Dihydroxy-6,8'-bicoumarin"]
["11.30_570.2769m/z",570.2769424,11.29593333,"pos",0,10.47316195,12.92584498,7.924394548,16.20735964,15.25859499,17.40291029,0,22.34131298,11.52353882,8.861458155,6.412771799,19.08081944,14.77256368,6.576656971,7.621515892,47.76799552,23.04940891,25.49627569,22.73391747,102.933218,54.64427166,18.12064497,26.94452168,9.363450651,12.83126379,12.18578014,10.33428093,9.837648025,13.10984305,14.43418169,7.767401533,"HMDB0034263","2M+NH4","C12H20O7",40.8,2.373889443,"Triethyl citrate"]
["3.40_563.1762m/z",563.176196,3.402683333,"neg",7.048242304,17.22674125,69.64792189,45.26955073,86.59665572,17.77760797,73.25318736,41.5007535,3.602248888,9.708131968,14.6900145,9.333381021,28.65877629,7.737819391,15.44396586,10.25370178,25.3451647,34.6155186,16.88749542,25.62384693,10.88659355,23.24399093,30.33867349,16.92286498,12.95303043,11.07035175,12.22625131,12.03855373,12.32392147,12.92110047,11.13832054,11.75345245,"HMDB0034813","M+FA-H","C26H30O11",40.8,-1.579912739,"Lupiwighteone hydrate 7-glucoside"]
["2.51_446.1421n",469.131326,2.50545,"pos",6.314572136,8.662356629,138.1898122,56.95549166,31.71274317,7.365339524,137.7534424,54.97196485,12.69815735,82.08384964,73.76941149,26.93052454,100.8142585,84.81315595,71.96138521,27.34168824,86.80915158,70.5287502,669.5109387,42.66851485,2080.86992,81.12010922,64.78537712,590.3242252,86.16717647,84.4882114,80.36591531,93.84270837,93.50631483,88.18639022,89.60654963,92.76756698,"HMDB0035007","M+Na, M+K, M+NH4","C19H26O12",40.8,-0.719389296,"Lucuminic acid"]
["7.13_220.1461n",221.1534473,7.126983333,"pos",38.60710848,28.8096455,32.14392743,35.17320945,29.54064166,32.31435109,34.66403363,43.06745836,39.89534745,46.13413822,38.81479084,43.22712236,39.28334238,43.99406263,39.55770364,43.8669347,43.20669695,53.8086485,42.72678883,38.99677052,35.49476018,43.93389789,53.85277367,44.95323002,42.44947655,41.0225198,37.5255054,43.15938456,40.10397557,45.64909694,42.72210082,42.08981219,"HMDB0038996","M+H-H2O, M+H","C14H20O2",40.8,-1.088688404,"(Z)-6-Tetradecene-1,3-diyne-5,8-diol"]
["2.64_461.1685m/z",461.168538,2.63805,"neg",8.098260942,7.004949071,13.56002001,14.98300518,13.30929315,6.739783558,15.64000529,17.19201561,5.570796899,11.30929253,8.983693397,13.75598648,9.001722117,12.50786117,9.58431467,14.24005312,14.83833492,12.21406767,11.38000919,13.08611996,13.56109385,15.03803493,11.65085734,9.438487498,13.82213155,11.90451513,12.6728614,14.01728202,11.32723591,11.31506184,13.97108714,13.15270445,"HMDB0039233","M-H","C20H30O12",40.8,4.517790222,"Verbasoside"]
["2.17_388.1724n",387.1650866,2.172416667,"neg",60.92582539,55.62258684,215.7898131,183.8087416,100.4761815,52.2516935,228.1237776,189.4279784,19.97332348,120.9859922,20.09253191,76.20247431,221.3169071,124.7279697,21.70896224,77.59340982,86.44131377,128.5037333,96.6709776,104.8048272,106.8485308,87.8608268,133.7411714,100.7714018,71.77482252,72.56582244,68.9724728,70.26257529,69.45966616,68.98906488,71.95854135,70.75050239,"HMDB0039964","M-H, M+FA-H","C18H28O9",40.8,-2.497510667,"beta-D-Glucopyranosyl-11-hydroxyjasmonic acid"]
["14.84_575.4658m/z",575.4658236,14.84093333,"neg",246.3174509,287.9766148,172.269134,214.981035,445.843802,255.085728,159.1326885,211.8196627,384.0822473,312.2395435,304.5800691,254.0966099,229.2255121,330.1111279,271.1625109,241.8942031,250.1724696,235.347805,240.338648,221.4811657,206.6856486,248.8209244,227.7225509,221.403262,273.4213896,270.2201622,265.4026511,254.4735061,249.5936557,256.0226593,294.81464,276.3249021,"HMDB0040922","M+FA-H","C35H62O3",40.8,-4.288873986,"Epoxymurin B"]
["8.28_293.2120m/z",293.2120143,8.2761,"neg",208.886558,337.3251842,251.5069713,198.7130926,200.8772164,329.6545961,248.9755363,209.660252,274.8343671,220.3340252,204.6283646,260.6005218,190.880647,212.8861621,211.9038223,264.2525133,208.9403554,166.6888876,181.814305,169.7181413,255.7251734,213.6703336,161.536765,168.5507321,230.3828561,214.6090138,211.1899673,210.3076914,220.9225406,209.5754746,200.8013213,218.2066053,"HMDB0041333","M+FA-H","C17H28O",40.8,-0.82210309,"(all-Z)-8,11,14-Heptadecatrienal"]
["1.96_193.0493m/z",193.0493423,1.956933333,"pos",81.79057479,140.5370156,127.9490716,76.71867377,75.81241,152.264776,147.015484,83.37481505,168.429725,52.59204114,76.44906398,54.04956867,149.7250217,54.76868536,73.97759089,56.90891346,125.1354567,62.68130822,84.72326335,69.41388234,139.3909309,132.4948884,63.69987909,86.368642,84.42530916,79.00310566,72.86453906,88.11044297,79.10176972,85.8388618,77.13611133,81.3445485,"HMDB0060503","2M+H","C5H4O2",40.8,-1.004423847,"Protoanemonin"]
["8.78_868.4816n",913.4783749,8.78225,"neg",1133.700791,261.1997146,315.5703479,183.166894,404.9774298,270.0952892,314.0647167,173.3318946,290.3230041,60.4351034,139.3557757,359.0836143,134.1703234,64.74367709,143.2220752,370.1809106,31.2466703,248.1860709,230.6062947,210.426217,57.30787663,29.89737309,236.1290277,224.8306713,182.9164998,183.9293337,169.3594673,164.8754808,175.6613611,184.2184624,176.3588242,185.0640002,"HMDB0062485","M-H, M+FA-H","C40H72N2O18",40.8,4.099943619,"Lc3Cer"]
["11.80_391.2841m/z",391.2841068,11.80175,"neg",7.283680456,17.01863162,8.291341773,9.077694029,27.0237935,18.44406064,8.163115986,8.14491425,6.088884491,12.99340576,16.92938206,5.70834759,7.645004681,13.9487245,16.51143147,4.998274092,7.892312463,4.266518725,8.532434296,26.23182354,4.662845181,6.816594266,3.096155413,10.62352147,6.506170897,5.696134981,7.501616635,8.235003954,6.155196786,6.439498201,7.890689962,6.333684416,"LMFA01030189","2M-H","C12H20O2",40.8,-3.254125592,"Aleprylic acid"]
["7.48_290.2690m/z",290.269002,7.48,"pos",39.44224168,58.79567591,57.6143769,35.78968515,27.41124181,50.47573256,51.13554699,42.3701191,28.84925636,31.20929708,34.11988616,38.42831275,31.68333599,28.75125327,29.82978639,36.80175257,36.99651416,49.59509085,41.39746098,40.90765575,43.15857897,36.92438042,46.20403175,40.01115454,96.09358634,78.37609692,90.02390734,95.02816046,109.1238214,100.0032678,104.9122941,100.1885487,"LMFA01050051","M+NH4","C16H32O3",40.8,0.115883677,"Juniperic acid"]
["3.35_541.2493m/z",541.2492726,3.34935,"neg",27.03645924,9.914912576,18.98069023,36.1872066,37.18843568,11.13425101,20.57278909,35.02375299,17.16916759,26.00500903,30.74909373,64.67123411,21.20543305,23.48357831,32.64592036,70.08954748,123.2410135,58.84228531,82.42036474,61.04386958,68.98879329,120.5288821,61.02319417,85.5124609,61.01769754,62.53292368,61.79788777,59.0903246,59.06886565,65.35746139,63.81707595,64.23188434,"LMFA13010050","M-H","C23H42O14",40.8,-1.672629585,"2-O-(beta-D-galactopyranosyl-(1->6)-beta-D-galactopyranosyl) 2S,3R-dihydroxyundecanoic acid"]
["14.66_550.4588n",573.4482605,14.65665,"pos",2242.697546,2096.558741,1503.689064,1700.725106,2003.077729,2165.952135,1460.351807,1704.312779,2998.825189,2027.676664,1694.740312,1682.33892,1624.171534,2062.578801,1730.21501,1872.525634,1520.141899,1563.154474,1404.43856,1424.195387,1481.716449,1518.936282,1540.52325,1280.012974,1572.97265,1818.911472,1813.181462,1548.297894,1525.922337,1559.017077,1795.976844,1766.467297,"LMGL02010451","M+H, M+NH4, M+Na, M+H-H2O","C34H62O5",40.8,-1.591522505,"DG(15:1(9Z)/16:1(9Z)/0:0)[iso2]"]
["7.43_301.2852m/z",301.285165,7.428216667,"pos",24.04160091,22.44534367,29.84975028,24.37711822,19.78077803,20.66107403,30.01447428,25.13549836,24.91765649,33.14372051,17.38145095,31.28986609,31.83541441,27.44779743,17.43198087,15.18962164,31.83672931,38.26444017,39.00068058,40.54569745,30.61189291,30.08885571,34.74890801,53.88094847,31.95800623,25.60342035,29.61248641,29.73271788,28.23508242,34.35519739,28.49050874,27.8021772,"LMSP01080051","M+NH4","C17H33NO2",40.8,0.742128122,"Prosafrinine"]
["1.42_218.1036m/z",218.1036346,1.42295,"neg",182.6463187,166.2374296,359.2452861,255.6192972,218.8530497,170.8512993,369.186064,267.1271267,164.9017949,225.8769634,194.142564,192.3219485,246.4293162,233.5539662,199.6855926,192.6975821,214.3943873,278.5326095,231.9581117,238.800216,253.2244145,228.0581849,280.1028339,228.1933393,206.4614271,205.4171801,209.6812565,189.4794287,207.1809896,213.7169999,205.084913,205.1022169,"HMDB0000210","M-H","C9H17NO5",40.7,1.087963553,"Pantothenic acid"]
["3.80_188.1044n",171.1011505,3.803866667,"pos",604.0624699,342.9156151,369.5797421,498.5748093,563.9605173,371.5770146,408.1634126,488.3877849,454.124695,636.5004263,523.6603894,446.9566185,543.5772475,579.753604,545.6654672,439.5436627,211.2257753,645.1256022,479.3246839,821.4209331,396.0806034,237.0564784,638.5929894,536.362284,496.5719953,490.0100277,465.7872066,570.4938365,526.1663835,565.4218174,510.3732646,535.1507008,"HMDB0000784","M+H-H2O, M+K, M+Na, M+H, M+NH4, 2M+K, 2M+Na","C9H16O4",40.7,-2.234132726,"Azelaic acid"]
["2.37_521.2395m/z",521.2395136,2.367566667,"neg",27.10973198,11.22437791,6.552678032,11.56564688,12.8093994,11.30662582,7.703901199,11.90577164,6.863015242,31.12300238,10.15678773,10.83746501,16.42488995,32.43135018,11.69294594,11.27596313,2.352758062,27.43914289,15.95853562,23.0268673,7.23846932,3.226986808,24.39013838,16.44728682,19.89162063,21.22316633,18.14345739,22.08551062,20.01674672,22.99269505,21.73373111,21.31096539,"HMDB0003141","M+FA-H","C26H36O8",40.7,0.614405849,"Retinoyl b-glucuronide"]
["14.20_755.5453n",756.5525496,14.19673333,"pos",2904.844898,1257.486546,570.332959,426.4279616,556.5463736,1175.610437,541.0207109,437.1215275,2136.895867,949.3382911,1169.987101,698.0209287,715.2546972,911.5470557,1091.75298,760.0824868,1873.698278,2413.309364,1351.084801,2830.471326,1008.316155,1734.113698,2332.176436,1435.460057,926.1023365,1269.497625,1405.098015,1029.181318,1026.655686,923.9920514,1211.932701,1264.936556,"HMDB0007881","M+H, M+Na","C42H78NO8P",40.7,-1.630550045,"PC(14:0/20:3(5Z,8Z,11Z))"]
["9.92_478.2920m/z",478.2920254,9.916183333,"neg",88.45481785,121.9272417,91.97399158,106.2417521,212.0706568,123.1573468,89.76089575,102.6769297,208.2232568,141.4671094,132.6987353,254.8210279,129.5380515,124.9198124,142.2080902,251.4294131,177.0736802,121.44565,179.617027,150.9655661,188.5847412,166.7562332,121.0998308,139.3028208,157.5468931,132.2567724,145.3447809,136.0051105,142.5749018,147.4956264,139.8602153,140.4864092,"HMDB0011475","M-H","C23H46NO7P",40.7,-3.938229198,"LysoPE(0:0/18:1(11Z))"]
["11.38_375.2506m/z",375.250571,11.37611667,"pos",39.21260199,24.9303926,13.24332443,43.78258027,24.8282738,24.49929048,13.27669868,40.87834457,35.79307937,47.47997223,39.20050611,65.4507849,25.79833371,45.73076131,43.60449885,61.90024124,41.5957674,44.07000758,34.73237672,56.29293831,8.136504392,40.40142092,40.18691673,30.64392595,42.49588692,47.80617951,45.51665011,40.29897135,46.27720276,47.67359057,47.46502062,50.36417779,"HMDB0013010","2M+H","C9H17NO3",40.7,4.295933593,"N-Heptanoylglycine"]
["9.26_328.3204m/z",328.3204456,9.259666667,"pos",5.937856716,4.406974304,4.631258054,3.767803116,0.704081393,2.857927937,6.709625666,5.667685539,5.481838468,1.674908026,3.550692369,2.389002299,8.597116553,2.133631123,3.376751467,2.971111626,8.100829085,22.07781215,9.772146714,6.106714167,15.59204223,6.369807783,22.35185907,7.957311811,33.47483124,33.31097281,30.50741822,32.92517987,39.31692794,35.2981267,35.45360743,36.7516592,"HMDB0013645","M+H","C20H41NO2",40.7,-1.712121404,"N,N-Dimethylsphingosine"]
["2.49_440.2177m/z",440.2177447,2.49445,"pos",292.5475671,40.79388043,10.38748,97.31102247,31.39078324,37.32716872,11.34750182,88.7068004,18.35960072,98.08690084,61.61070779,131.8617389,54.09989505,93.91797192,52.15781124,118.9033579,59.58079963,412.5410818,64.1522319,237.1446947,19.49075383,47.73849227,348.3036377,55.01277504,145.9156328,143.9695301,135.384823,134.4191075,113.6297118,100.2857689,98.82069742,97.91229615,"HMDB0013946","M+NH4","C24H26N2O5",40.7,-0.598703754,"8-Hydroxycarvedilol"]
["5.66_612.3141m/z",612.314072,5.664066667,"neg",7.483648109,10.32185622,10.99898424,7.042687414,25.54140222,10.7607405,10.56240706,5.893654595,21.33054881,14.06400334,20.07081285,18.89283445,16.86808525,13.65287983,22.03036284,18.4704857,21.7879614,12.94649959,9.70108139,9.902438028,22.80733845,21.50429951,12.89533178,10.50650162,22.80655959,24.45685709,25.48190161,24.22677299,23.17818917,22.33617217,21.14597646,21.53665017,"HMDB0014365","M+FA-H","C32H45N3O4S",40.7,4.919962593,"Nelfinavir"]
["8.60_402.2846m/z",402.2846266,8.5983,"pos",44.70133416,41.79701641,37.41454463,49.22468354,73.61590453,44.1497012,34.96656297,56.04619996,32.17316727,34.37844891,67.19222893,71.61909653,48.74403414,35.73983117,69.42721088,85.98271535,27.89701104,32.92664739,55.93661432,30.4355781,34.72116325,23.65529527,25.15601115,43.98098089,49.85188581,45.70967261,45.67474447,48.32750724,54.77997217,52.12514944,41.04278344,48.23128959,"HMDB0015189","2M+NH4","C11H16N2O",40.7,-4.489725815,"Tocainide"]
["12.52_285.2788m/z",285.2787542,12.51751667,"pos",77.64774055,92.70762504,57.2886001,63.62983747,56.2240426,81.37502662,55.64833889,63.14019536,96.68560194,101.1038819,98.57048033,77.64506182,98.53440444,93.80757381,80.37292842,101.693257,145.2502612,130.8321402,81.60856229,137.404791,115.064317,135.9261344,138.554582,83.34692211,434.5911417,434.5278503,480.9234266,526.7987328,516.8487893,497.0785163,475.6628127,500.8290037,"HMDB0029557","2M+H","C9H18O",40.7,-0.185107599,"Dihydroisophorol"]
["7.07_237.1496m/z",237.1495631,7.071333333,"neg",0,0,0,0,0,0,0,0,11.70828064,1.106559767,10.54640611,8.339798633,11.74284459,0.568700759,10.85463219,8.807287211,26.67616854,35.76122584,16.97974541,28.81234532,28.89036758,27.40759898,36.72561931,14.56936969,9.958387629,10.36594702,10.79770867,14.17306318,11.14318444,8.910185957,9.980968262,10.25921464,"HMDB0031733","M+FA-H","C13H20O",40.7,-0.286524519,"4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde"]
["11.12_311.1681m/z",311.168144,11.11695,"neg",4637.840859,5625.554735,4331.85127,9274.685398,3662.995507,5648.597174,4402.370334,9263.378249,3845.290709,5963.00746,3625.698368,4821.207414,4800.538778,5814.326484,3810.159191,3532.548547,4004.996994,5264.522464,4793.886405,5504.672436,4186.167465,4019.12856,5356.273163,6582.516567,5145.323125,5270.696919,5286.890477,5337.38919,5399.340913,5576.274464,5570.622539,5454.172376,"HMDB0032549","M-H","C17H28O3S",40.7,-1.586625033,"N-Undecylbenzenesulfonic acid"]
["13.48_731.5523n",776.5504645,13.47716667,"neg",391.0947396,516.5178839,448.056286,302.3073049,330.476791,490.8612314,430.0676207,311.4705418,428.2125828,323.446387,232.7070797,253.6913479,341.4602128,315.0851247,236.302503,245.5852259,275.20553,313.1003509,370.2367882,349.1707019,315.221388,279.8476187,302.4936777,368.9995886,238.6672654,243.0645198,249.7931462,246.8536367,253.6078021,249.341616,254.3790639,259.128946,"HMDB0033621","M-H, M+FA-H","C40H77NO10",40.7,-3.363492228,"Araliacerebroside"]
["12.29_480.3447n",498.3780183,12.28621667,"pos",1021.876333,551.7164096,394.6274603,708.3724851,1417.301781,548.9934744,381.76632970000003,701.9250073,559.7856416,821.3978466,1045.75288,837.6273514,747.1838845,821.3901597,1003.749873,817.8808642,307.304622,709.2475174,852.0723045,1088.720483,542.5354091,299.6545498,679.0421572,773.9465675,772.2250024,764.7168547,759.5138169,668.0820048,726.9121837,668.5022981,729.7542352,739.676871,"HMDB0034081","M+H, M+NH4","C28H48O6",40.7,-0.80391918,"Brassinolide"]
["5.80_470.2024m/z",470.2023953,5.804083333,"pos",2.411295079,2.527151329,0.219541571,0.622444974,3.206667841,1.870140669,0,1.762244061,3.135766312,5.704676565,10.77095914,7.428317275,2.607229016,8.635654391,10.57425515,7.390595567,6.980739836,11.90269504,15.75905943,9.349438864,2.525249685,6.421475216,11.66001667,11.38564208,9.088876871,8.396692999,7.310407731,8.276905896,7.282388026,7.979173841,7.506482619,7.480993833,"HMDB0035830","2M+NH4","C11H14O5",40.7,0.71355289,"Genipin"]
["5.26_589.1551m/z",589.1551025,5.260916667,"neg",51.71041162,38.13565364,57.54318984,53.50666051,36.90977984,38.37382049,61.20484313,56.13584629,53.12523794,31.72168203,90.87768211,71.66640413,46.93187438,29.38304018,94.95269383,75.33671537,48.12759755,58.59886444,76.98456446,54.14698216,78.1465582,50.99856822,66.38320335,81.43405008,50.35677771,55.24217846,52.45295277,54.41785273,53.56683251,61.63429922,60.5847511,59.7851059,"HMDB0037093","M+FA-H","C27H28O12",40.7,-2.162379233,"Methyl 3,4-dicaffeoylquinate"]
["6.07_237.1110m/z",237.1109622,6.07405,"neg",19.36403101,10.30263456,7.668693186,12.48890904,10.97589556,9.919254765,7.569047089,14.4450967,9.020647749,11.72446368,9.803194281,12.38301181,13.06204679,12.31829471,11.79693668,11.29700265,5.685332885,12.59037655,13.8657046,15.51468087,4.815231301,4.616267602,10.14396259,15.06026397,10.2786539,11.41104219,10.28349555,10.24211675,10.27634606,10.80568008,10.2110732,12.61304437,"HMDB0038319","M-H2O-H","C9H16N6O3",40.7,1.619787263,"Decarbamoylsaxitoxin"]
["2.57_516.2652m/z",516.265161,2.56835,"pos",94.06845079,127.2419591,149.6948783,128.0415938,116.4214754,118.8877377,143.2588175,127.3813897,95.18484305,144.6036779,104.0879927,160.7237647,100.4295406,145.3386769,106.611521,154.8646502,164.2509751,134.5160737,143.7355401,96.82111437,116.3109116,160.7553321,128.5788875,143.3546284,134.3728909,127.6843439,114.8764103,120.5038162,139.3438321,126.4009898,126.5132971,123.4910145,"HMDB0038574","2M+NH4","C17H15NO",40.7,1.218831684,"Lansiumamide A"]
["14.16_603.4603m/z",603.4602997,14.15648333,"pos",3497.45135,4184.186224,2150.875947,2764.079745,3139.616026,3901.405406,2210.128615,2725.430041,3098.813373,2220.792017,2946.1942,3215.983871,2592.144617,2262.223376,2874.611746,3316.735239,1687.737116,1941.460359,1954.638913,1935.537968,2027.898591,1618.272972,1826.099531,1917.392908,2199.724816,2474.241521,2488.633558,2187.25395,2395.290268,2223.885176,2348.957004,2358.723285,"HMDB0039453","M+Na","C35H64O6",40.7,1.359713205,"Muricin H"]
["8.29_311.1855m/z",311.1854709,8.285833333,"pos",24.91955829,19.83195503,34.91164888,57.92900735,7.967753419,22.57086606,39.70309407,59.62696938,15.05746964,28.77351634,21.81906499,31.01214115,14.22690306,28.68823325,21.33319514,31.69700629,43.32771898,35.3958069,49.22377496,51.87022335,45.67168807,45.80516572,38.38316989,39.06846927,29.70433819,35.34587336,29.9236288,34.01965119,46.02950648,42.42683948,45.47560044,43.33884673,"HMDB0040980","M+H","C17H26O5",40.7,0.549780763,"Valdiate"]
["13.52_520.4715m/z",520.4715172,13.52055,"pos",161.9760348,200.9397123,193.351297,192.4028691,204.7300236,200.492185,183.01862,173.4101157,126.6747317,178.5912339,155.5420201,121.5023339,189.3608188,183.9056014,141.3293755,116.0795983,151.847061,181.750101,182.7772739,211.1059798,167.3319295,139.3400553,162.9993035,161.4540162,70.20732494,145.1728733,164.6935289,99.16749515,137.2752385,118.7682979,138.3175365,148.7250453,"LMSP02010018","M+Na","C31H63NO3",40.7,3.01854817,"Cer(d18:0/13:0)"]
["0.78_535.0367m/z",535.0367476,0.77515,"neg",5.608546503,93.69431242,713.3279478,170.7779565,322.5268728,123.7424721,720.6546144,199.9978352,186.8075508,538.0649243,293.4924793,0.680841449,283.0270433,561.0357555,248.380848,1.385087977,631.1621264,592.6863309,424.788699,633.4908507,597.1897717,639.1021768,597.359459,431.3994081,388.5829342,360.6391509,333.4510809,332.7223069,340.109508,328.0154871,339.2108488,341.6917593,"HMDB0001018","M-H","C14H22N2O16P2",40.6,-0.805549204,"UDP-D-Xylose"]
["0.72_317.0550m/z",317.0549599,0.721983333,"neg",6621.265384,5386.974575,9007.377856,6978.712132,8335.89078,5663.206164,8937.880602,7347.494304,6413.576843,9615.600287,6781.475794,5339.985256,6859.446684,10169.77961,7046.810652,5650.502542,6181.841758,7279.178075,7537.438616,7431.73872,8058.402033,6211.000319,7836.935203,7351.972857,7086.031389,6927.530913,6700.755898,6576.737143,7189.43675,7106.89901,7036.575414,7103.873201,"HMDB0004645","M-H2O-H","C10H16N4O7S",40.6,-3.478041521,"S-Nitrosoglutathione"]
["14.36_470.3600n",493.3491842,14.35915,"pos",115.0100009,121.4439821,78.82859249,241.8932711,71.41463947,133.432921,83.40433246,259.3640167,56.35259798,104.6364909,105.502908,243.6448471,139.677705,93.99089359,109.6141587,291.9079308,196.6481775,199.4285196,2443.372782,151.482697,95.5983221,190.5483187,227.5612344,2360.067786,176.9152982,239.2314651,293.41391,209.8421572,202.8665902,188.5587659,258.846821,286.2805827,"HMDB0011187","M+Na, M+K, M+NH4","C27H50O6",40.6,-1.649294338,"TG(8:0/8:0/8:0)"]
["3.94_242.0581m/z",242.0581265,3.93725,"pos",5.500886398,5.126642474,6.732339473,5.281995851,4.485320798,6.03169443,6.929843889,5.311149273,6.49653208,4.806345228,6.285262526,6.228733054,7.124822937,5.464336386,6.3655387,5.799287851,7.649436474,5.384542983,5.454515435,5.401614034,5.436662177,8.257576157,5.464651164,4.421761674,6.933647761,6.704496902,6.267144847,6.628000165,6.797977709,6.942943622,6.609836623,7.558992959,"HMDB0015611","M+K","C12H13NO2",40.6,1.673078356,"Methsuximide"]
["2.00_497.1287m/z",497.1286724,1.99925,"neg",9.092697787,9.650418042,33.05225204,20.05936104,9.372087972,9.212578036,33.62816825,21.53818155,11.4789869,8.040549889,13.78134767,11.12336484,12.45257787,6.574314669,14.3254684,10.85421391,15.17947629,8.880135013,19.50746063,10.66346113,26.96715259,16.4434502,12.47182375,18.22337517,12.99305471,11.70194032,12.29718789,13.04377962,10.62615814,10.71228819,11.17758512,11.5693144,"HMDB0029164","M+FA-H","C21H24O11",40.6,-3.078771741,"(-)-epicatechin-3'-O-glucuronide"]
["2.13_536.1187m/z",536.1186547,2.12925,"neg",26.66866006,42.72532021,20.48529982,24.35118434,18.29002344,40.04100851,18.40756993,20.48832936,34.7002414,23.54482211,9.771398113,23.54523891,20.84994468,24.02325084,13.21186099,21.38633104,20.46088367,39.37458643,30.77476149,37.14187132,33.67476044,18.47646898,44.36270253,31.48667161,19.23669562,20.1140467,17.11610907,19.14029149,16.87484509,14.79677666,19.86607425,17.98834173,"HMDB0029236","M+FA-H","C23H23O12+",40.6,3.05556632,"Cyanidin 3-(6''-acetyl-galactoside)"]
["14.11_525.3082m/z",525.3082487,14.10996667,"neg",10.29175914,12.11622492,13.12778975,8.313203479,10.40113568,8.765692106,9.897921501,7.90346707,8.544388619,10.31151924,8.16086098,12.68309083,12.30966202,9.031544869,7.926325579,7.850226228,5.204658921,7.104799464,10.84890135,10.57439593,9.474257192,5.744139208,11.51805603,13.90810004,7.245516483,7.354253534,10.57167935,6.992981617,8.145394761,3.899883052,7.835833788,8.138687465,"HMDB0030180","M+FA-H","C27H44O7",40.6,2.794140907,"Crustecdysone"]
["6.34_169.0874m/z",169.0874361,6.343033333,"neg",273.0354772,93.37123573,79.07625002,161.9978665,207.5061307,91.18446375,81.62555574,169.3247517,107.5436372,165.5413336,172.0173599,168.6239861,118.3436604,174.9243397,172.8497381,172.5917749,44.12076568,105.1222328,137.3286283,157.0539795,72.4398886,52.07165191,107.9369715,131.6551488,150.1747811,144.7480232,154.9027606,169.0213596,148.7363075,160.4086755,160.1999398,152.7905906,"HMDB0031414","M+FA-H","C8H12O",40.6,3.370174753,"2,3-Dimethyl-2-cyclohexen-1-one"]
["5.82_199.1345m/z",199.1345285,5.824733333,"neg",17.16782735,14.99561275,12.56883014,12.99550942,13.99599747,13.28689712,13.35889564,15.75451018,12.70161424,11.74867176,12.52578395,13.73384419,10.68336002,11.81097745,13.45493808,12.24792945,9.36138494,12.07174284,10.46489545,9.545979708,9.851533451,9.856422422,10.08322198,11.3630663,12.28644899,10.49684286,10.22824638,11.80147182,11.05765698,12.73436513,15.33160716,9.981351291,"HMDB0032662","M-H","C11H20O3",40.6,2.799943769,"(S)-9-Hydroxy-10-undecenoic acid"]
["1.30_148.0523n",166.085928,1.2963,"pos",592.9670752,640.3996059,1037.037026,743.1197466,851.2769124,638.4274738,1047.33212,698.4402679,912.8098185,747.283086,793.6801573,678.0417783,864.4692409,738.1851849,814.4097197,680.8766895,1367.501676,1243.355518,1003.470974,1193.257471,1242.241702,1325.688945,1181.121717,1009.659368,866.3787576,862.9520409,838.8722604,917.3002931,957.616985,943.5609846,924.4526509,935.7682631,"HMDB0035243","M+H-H2O, M+H, M+NH4","C9H8O2",40.6,-0.883799166,"1-Phenyl-1,2-propanedione"]
["2.45_345.1333m/z",345.1333329,2.4519,"pos",22.99425442,25.08097976,53.74884104,44.90267467,39.01794224,23.05115598,53.08909365,42.78655031,36.60473842,19.73763736,49.82825933,44.60399566,68.69831126,21.02165595,46.79468246,45.83926723,78.46218473,96.52867326,37.08865136,66.65697769,65.7517394,78.40329728,87.80087768,37.61083379,57.59881571,55.2530667,52.21678033,57.66027394,54.734235,52.04844116,52.15847854,51.95268702,"HMDB0037107","M+K","C15H22N4O3",40.6,3.214644263,"N1-trans-Feruloylagmatine"]
["8.82_676.3659n",694.3996845,8.821183333,"pos",1425.137248,1714.094364,1125.196649,1787.499758,970.4813579,1582.293142,1048.479981,1664.415868,1841.17522,1382.129031,1069.676713,1431.898705,1052.915604,1464.16886,1023.305696,1444.974813,1472.083753,1582.425148,2024.990899,2113.778686,1745.799271,1350.197625,1497.277293,1878.815244,1174.28397,1207.039911,1172.95186,1128.46807,1192.115372,1194.191575,1065.051507,1127.842694,"HMDB0041093","M+NH4, M+K, M+Na, M+H, M+H-H2O","C33H56O14",40.6,-1.696526206,"Gingerglycolipid A"]
["3.33_693.2030m/z",693.203004,3.328016667,"neg",124.2754944,163.1167286,316.0771615,184.0165437,180.0304418,159.2607727,306.8301735,185.8710164,114.6569335,150.7010464,129.8490636,107.9361222,213.3256685,144.6063809,133.7111585,111.861158,144.0849241,178.9292678,165.7973081,183.0308916,266.4837162,144.8917799,183.1017883,169.5504937,122.3599631,122.9688813,124.5226372,115.2422675,120.651205,122.84685,124.5380757,126.9793775,"HMDB0041210","M-H","C32H38O17",40.6,-0.892126368,"Sesaminol glucosyl-(1->2)-glucoside"]
["9.25_351.2527m/z",351.2526931,9.249083333,"pos",236.1898315,549.4661595,304.0759251,332.5941196,397.24707,551.4749413,296.7946026,327.7127297,342.0050381,333.3366692,314.4610734,360.7568303,288.5430429,336.166018,306.6826048,357.3432099,319.2813927,206.9674564,309.6832277,225.6705463,389.531934,298.3127207,194.7428368,306.9309263,302.8952501,314.4138932,301.1689891,306.1689954,316.954807,313.0139928,291.7143179,309.5685732,"LMFA03010103","M+H","C21H34O4",40.6,-0.836319136,"11-deoxy-11-methylene-PGD2"]
["15.41_827.5866m/z",827.5866144,15.41356667,"neg",27.26929431,135.431339,74.35493586,30.20805443,43.18107599,118.0779976,57.97838864,26.06148196,57.70966846,19.79013056,44.32334494,15.56841632,46.50559544,17.36814516,40.38756953,14.59618678,62.57282164,48.21930584,35.35086482,46.495432,66.45342325,63.85178881,42.59162198,32.68491746,18.08835125,19.62005535,19.24891529,15.8208598,13.49749762,12.58756605,13.07798233,8.783976004,"LMGL05010022","M+FA-H","C45H82O10",40.6,-3.050487215,"MGDG(18:0(9Z)/18:2(9Z,12Z))"]
["7.45_398.2899m/z",398.2898501,7.449066667,"pos",100.1157167,147.6872451,232.1843439,152.7681704,207.5903939,149.9197273,216.1659876,160.0880374,231.8352391,153.1282067,161.6595929,186.9705261,106.928563,154.7047457,152.7156213,175.4056009,131.2826899,82.658913,120.4653647,55.77533912,178.6541119,115.939131,77.68481961,110.7355844,174.8955707,175.1674184,176.2319206,173.2177858,172.9041991,182.3133794,166.4550409,162.29426,"HMDB0002082","M+NH4","C22H36O5",40.5,-0.656497553,"Bisnorcholic acid"]
["11.48_337.2734m/z",337.2733534,11.47971667,"pos",444.2277722,2029.035783,960.617301,742.8278902,1019.04167,1982.468028,859.5931371,716.0908053,1511.504052,975.1553123,1059.536618,888.8927523,981.8874841,860.9836141,1057.795938,886.8376915,2245.078773,756.8217443,1152.000862,635.4771337,3454.375254,2209.838269,749.3479656,1184.459516,1118.871194,1115.761793,1085.293113,1168.135604,1154.010666,1114.233926,1031.930216,1098.776149,"HMDB0006070","M+H","C21H36O3",40.5,-1.094581694,"Pregnanetriol"]
["1.44_446.2280m/z",446.2279563,1.443683333,"pos",103.9777592,22.34241815,10.8930149,24.40493069,10.200063,18.64924091,13.75230552,22.52493768,10.59800104,14.8258235,5.702970769,6.961914822,38.24699693,13.76417009,3.557050665,4.745563076,27.28922828,90.19893078,37.64971558,111.7779857,2.053461266,22.77272199,82.60840443,33.7053157,48.20595906,46.97369784,37.64895646,42.95858587,36.03087531,31.36084541,29.57651806,30.45957192,"HMDB0011471","M+Na","C19H38NO7P",40.5,0.345913473,"LysoPE(0:0/14:1(9Z))"]
["14.22_657.4333m/z",657.4333176,14.21813333,"neg",20.01873348,11.56421264,6.685907636,21.43756872,32.34400747,13.29024983,5.259497391,18.48267739,17.15357206,17.00848048,16.4530552,20.84511355,9.808667719,14.29555952,20.34836021,19.26903752,10.10865417,13.38081718,15.63707626,15.35237961,7.982420495,9.695773166,15.43017604,12.27432887,14.73546933,16.67539317,15.37312326,15.23483928,14.88516014,12.95626304,12.33819674,10.81865524,"HMDB0013202","2M-H","C17H31NO5",40.5,0.224537593,"6-Keto-decanoylcarnitine"]
["4.69_469.2111m/z",469.2110903,4.693833333,"pos",127.0504639,101.916892,222.5716608,167.8290918,194.5369328,101.5824682,215.9796739,202.316758,138.6788003,251.7535165,88.12004381,65.5578482,176.8715785,212.374072,70.6567421,61.72341376,56.25796172,130.7351367,149.6347982,139.2713436,83.95613255,56.55525787,102.4192893,137.6790473,85.88187216,102.4671505,108.5814208,101.6983648,83.1846162,98.40655813,87.58063125,89.47488651,"HMDB0014660","M+K","C24H34N2O5",40.5,2.69607149,"Trandolapril"]
["5.84_298.1649m/z",298.1649397,5.836716667,"pos",4.248795518,5.243605616,3.703195942,3.954112181,5.353142798,4.824081174,3.768935892,5.070039431,1.753842775,2.571601125,2.312762684,3.812642833,1.474959538,2.124418539,1.749328076,3.927560864,1.158776846,0.252078374,1.666863005,2.182742867,0.671281482,1.692038148,1.383345376,1.391976409,3.057363921,2.25621405,1.934204278,3.194794402,2.275037607,3.008672662,1.719397559,3.12023199,"HMDB0015494","M+H-H2O","C16H21N5O2",40.5,-4.115214501,"Alizapride"]
["2.05_295.1642m/z",295.1642042,2.051566667,"pos",35.27091525,53.10054949,38.5750715,31.80237767,26.84408819,51.26956872,36.7219467,30.68593402,30.58673077,16.78299269,19.17123487,16.35732837,20.30841387,16.38998265,18.16449409,16.76164613,13.18100818,13.3825573,8.46453992,10.0798831,22.24141329,14.11882043,11.72926819,9.401478359,19.86810245,20.17500685,20.14780231,20.97148948,22.32611725,22.52064158,18.43755562,20.27646893,"HMDB0029108","M+H","C15H22N2O4",40.5,-3.499446169,"Tyrosyl-Isoleucine"]
["8.57_393.0996m/z",393.0995795,8.568916667,"neg",0.990324933,0,3.051115736,7.146758513,0,0.956488485,1.930007269,8.01087098,6.353558855,5.387196116,0,4.072557364,2.586337736,6.793186856,0,3.911350964,0,0.901770796,0,2.968776347,1.705131003,0.872833756,2.769695355,1.376739617,3.323531372,1.300979717,3.126832118,2.763808475,4.575091343,3.607487579,2.863160348,2.190637949,"HMDB0033341","M-H2O-H","C22H20O8",40.5,3.88983864,"Mollicellin C"]
["7.56_489.1750m/z",489.1749798,7.5648,"neg",391.5898281,144.1541794,135.6180738,291.4261787,345.5937931,141.7178136,136.5586494,291.9145121,105.6069169,544.3338632,316.6461265,194.2245118,334.1153476,545.0057843,334.8302637,207.2331947,180.9407351,701.3864567,544.886004,948.7917142,254.2625296,181.5142856,702.1486453,546.0504683,279.1042746,285.4503248,277.8541925,286.2334827,288.0202113,289.317627,280.7746506,291.9381421,"HMDB0038710","M-H2O-H","C25H32O11",40.5,-3.228925237,"(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside"]
["6.29_659.2697m/z",659.2697083,6.289366667,"neg",27.70936224,8.375136749,14.17725203,23.38853183,19.70355213,11.23625146,15.08710229,27.80529378,13.04517798,24.49513955,37.00379618,34.58668745,19.78569516,29.63242981,36.03359101,38.17085206,70.55678708,38.59443283,54.65441147,42.78548874,16.21210644,63.41455517,39.49642697,48.52990921,38.58441354,32.88003629,31.27346706,32.53593012,31.86692166,34.73011497,33.29582907,36.9085937,"HMDB0039005","M-H2O-H","C35H42N4O10",40.5,-3.750885941,"Hv-NCC-1"]
["7.22_706.3648m/z",706.3647744,7.222933333,"pos",0,2.738047414,0.867243818,4.493377077,11.11184427,2.087779019,0.390431007,4.195357981,2.712610198,19.82429261,11.10976981,15.53765192,7.82901004,19.56937121,10.84702593,14.03123312,35.72822732,26.61203216,47.39476769,31.30690759,23.69378429,34.40341228,24.3215985,42.95937017,12.37883299,11.79880364,11.81076548,14.30111116,13.62290597,13.25433111,12.65557094,12.02644127,"HMDB0059796","M+K","C29H57N5O12",40.5,1.864067114,"Gluten exorphin C"]
["7.54_508.2661m/z",508.2661181,7.543483333,"pos",0.6156927,14.28350886,5.332651591,6.256963439,12.66725777,13.21683921,4.728132971,5.617206288,6.795621528,19.22435196,6.800507001,10.5126945,12.72768197,17.76458296,7.736456271,11.44688008,31.44976896,6.20200973,25.47477563,8.394932298,29.71972565,29.6257849,8.907760312,26.63243073,11.49475995,12.58216751,13.14565808,13.12192417,17.09926556,12.44807658,11.04316124,14.04755887,"HMDB0060861","2M+NH4","C13H15N3O2",40.5,-1.144134532,"OR-1896"]
["2.13_435.1395m/z",435.1395161,2.1258,"pos",12.38665908,33.72671979,53.85775131,21.40924265,15.91095581,32.18053237,56.64821416,22.85972554,49.54939124,15.82026238,9.708580913,12.39738681,30.27507771,14.67413284,9.962133416,11.10938562,7.983707952,21.99791175,21.53602929,12.46596879,68.07309582,8.552135189,18.46033577,19.16143029,18.87635112,18.11505287,16.71567699,19.67354847,19.23190408,19.9587365,20.09121906,19.10432183,"HMDB0061092","M+K","C21H26F2O5",40.5,3.856034033,"fluticasone 17beta-carboxylic acid"]
["11.52_496.3422n",514.3726519,11.52073333,"pos",150.9509873,89.44540769,67.55649464,113.7133554,138.0016923,95.16932076,65.72642054,120.8569878,83.69798195,89.12957104,95.96372568,85.48099864,78.82153443,88.60001599,94.17733867,86.99173988,29.83804034,63.97345439,67.22823055,113.7321991,46.63648241,29.15913391,66.24151826,63.61365276,99.70887023,87.39672644,91.80675907,95.44624612,100.893401,93.93211851,87.16852196,92.47538711,"HMDB0061702","M+H, M+NH4","C24H51NO7P+",40.5,3.814882521,"2-Palmitoylglycerophosphocholine"]
["12.20_256.2402n",257.2475011,12.20348333,"pos",1557.344814,1999.078524,1548.65724,1683.113395,1672.945404,1972.829958,1482.673801,1552.732688,2229.418821,1954.414432,1652.605019,1600.201297,1791.263256,1981.358216,1571.997543,1591.158641,1975.610861,1898.166215,1729.924406,2186.587263,2152.058529,1908.402041,1897.203085,1639.250431,1798.753507,1831.118871,1814.216558,2011.847885,1919.249077,2195.248867,2001.582086,2022.427128,"LMFA07010440","M+H, 2M+H, 2M+Na, M+K, M+Na, M+NH4, 2M+K, M+H-H2O","C16H32O2",40.5,-0.022032495,"decyl hexanoate"]
["7.22_550.3130m/z",550.3130237,7.222933333,"pos",3.606231737,8.144289369,6.763571893,7.193826816,6.799792805,6.952513148,5.844097658,6.626498429,3.490247235,9.120092395,4.02420239,3.462418407,5.280212941,7.871551318,2.781525985,4.938965913,6.2808742,3.349808919,6.411093832,5.022620722,6.420810956,5.810641338,2.961998825,5.917450187,4.705404453,5.149652065,3.825952895,5.992424115,5.278873457,6.769691323,3.814747314,5.361431204,"LMGP03010022","M+H-H2O","C26H50NO10P",40.5,-1.624353062,"PS(10:0/10:0)"]
["12.58_395.3667m/z",395.3667045,12.57881667,"pos",227.3150055,175.4353737,256.7052982,205.3306326,183.2735055,170.5115653,224.7222891,183.7978501,167.4333877,199.7949689,171.5145157,151.489222,194.8755526,202.7723962,164.5611751,144.3842237,233.8166288,286.3388007,213.1599197,276.6370724,144.4695441,221.4285154,269.1108508,200.5614389,206.9362909,203.9457202,203.8026396,197.9511212,216.8730213,178.7559005,177.833887,218.1484529,"HMDB0000937","M+H-H2O","C29H48O",40.4,-1.269212515,"Stigmasterol"]
["5.16_430.2790m/z",430.2790294,5.160933333,"pos",0.988433978,0.560444849,0.639698086,3.89663503,0,1.09447911,0.004138464,3.332532306,1.276183287,0.29663326,8.035167289,10.57441659,2.627503996,1.19124342,7.427077925,9.061641423,9.795850471,21.23996371,152.8923494,7.85824824,0.364245573,8.430821189,17.62475547,136.6545259,12.6214954,10.66753163,10.08668238,10.08750215,11.14789187,11.37763841,8.977708914,11.34005485,"HMDB0003752","M+NH4","C18H39NO7P+",40.4,-2.936038804,"LysoPC(10:0)"]
["15.14_588.4736n",611.4627899,15.14411667,"pos",9970.197347,15775.01282,12141.84173,10055.50707,13412.66996,17164.46418,14360.91793,11713.98454,17432.70423,11060.10404,11846.77456,13476.18572,14337.23008,12294.71324,16168.62412,16360.27391,14077.69184,14668.66196,17086.8033,11819.57219,19184.01202,16237.67955,15158.26076,15662.51522,5661.761886,11377.71863,9761.303609,7442.492092,8000.603371,8622.317291,10596.72153,9003.849767,"HMDB0007273","M+Na, M+K, M+NH4","C37H64O5",40.4,-3.068871329,"DG(18:3(6Z,9Z,12Z)/16:1(9Z)/0:0)"]
["9.57_455.2402m/z",455.2401562,9.565366667,"neg",42.80917717,33.87279263,36.70867107,47.58424027,24.88427761,29.80356279,35.48676806,52.73144522,31.19256331,42.0494076,23.85942226,37.77690956,41.80728444,42.51226128,26.09773135,41.02901933,48.66519613,45.48661528,86.90433005,44.8280435,47.26004138,50.56408411,44.24720207,88.4777459,35.64079961,32.93829367,37.14351516,38.55585061,35.22727651,37.81877703,37.00656141,36.80634481,"HMDB0007849","M+FA-H","C19H39O7P",40.4,-3.380580863,"LPA(0:0/16:0)"]
["12.81_438.2744n",421.2711209,12.80698333,"pos",55.31183635,319.2253569,403.4323893,134.0367401,321.7274369,310.7465303,384.039909,136.3976612,309.7104226,411.3483396,189.302164,118.9319522,350.1885489,417.9757953,198.3489294,125.0140624,832.497865,273.2822174,316.9255499,220.58898,1370.760068,780.7393695,261.7530126,294.8948535,161.1661336,299.0922089,335.8689119,181.1559135,161.1794201,165.9206514,286.2847533,293.3454257,"HMDB0007850","M+H-H2O, M+NH4","C21H43O7P",40.4,-0.527518556,"LPA(0:0/18:0)"]
["12.38_537.3785n",538.3858262,12.38051667,"pos",174.725268,242.9718172,234.7541862,141.4514471,148.1500075,220.7629786,227.4263609,126.2516686,296.1078576,209.4726419,189.0265385,168.28563,236.1917293,200.7109067,182.0457767,178.0794746,311.1607676,201.9910675,200.4168559,201.8913737,322.3604369,285.0417187,186.5363422,207.5444191,179.9492032,201.7214203,198.1709663,159.2152984,122.3604527,122.30454,160.6607603,167.8047596,"HMDB0011490","M+H, M+Na","C27H56NO7P",40.4,-1.656124607,"LysoPE(0:0/22:0)"]
["2.49_544.2270m/z",544.2270266,2.486233333,"neg",30.60649563,18.43397773,18.03707815,19.5664287,23.19825628,16.58535688,17.00597121,16.03711107,8.550537914,28.02529469,15.11934665,28.122082,14.03205137,27.24886158,15.15898122,24.21277096,16.65475312,44.17378537,21.3224153,34.37898914,12.30994477,20.82796701,43.82358234,18.72190161,24.38657259,19.80422427,20.62114596,24.44588486,22.74018223,23.58309006,21.66667325,24.38887257,"HMDB0012212","M-H","C22H35N5O11",40.4,1.826853111,"Dihydrozeatin-9-N-glucoside-O-glucoside"]
["8.16_280.2037n",281.2111122,8.16305,"pos",118.9625235,105.5059086,97.87616554,128.6213372,86.77398032,93.83449798,93.63902304,113.6928022,94.77892053,120.0286863,82.74180054,126.7015047,82.96237864,123.1680947,104.2301837,116.0687646,75.05423713,104.3324906,73.77516549,82.72551484,65.29043026,71.14658553,90.77942097,77.31285911,103.6307767,92.68532899,96.31245568,112.4675414,105.067568,94.88100597,104.5504042,95.57966051,"HMDB0012535","M+H-H2O, M+H","C17H28O3",40.4,-0.366025273,"12S-HHT"]
["1.51_387.2129m/z",387.2129484,1.507966667,"pos",6.335295017,6.551192525,7.211899778,12.20296317,24.99868378,6.883258307,7.470183349,9.552384697,29.10251756,8.907667462,19.20064203,21.84141587,24.1805942,8.529715116,20.28852801,21.96067119,75.08730065,24.42560862,7.689797392,17.67699878,5.439023741,70.99853421,21.3161674,4.739988841,33.90922494,30.71618649,28.56412063,33.69397365,32.34650651,28.89209465,29.6356643,28.14178156,"HMDB0015288","M+NH4","C19H23N5O3",40.4,-2.618513898,"Trimetrexate"]
["6.27_605.2196m/z",605.2196362,6.269566667,"pos",37.95389322,47.06602029,47.55881724,46.27530693,71.56608113,46.07935502,46.92865703,44.12516762,41.99432622,43.9640686,71.26495242,43.95716374,42.54402725,47.47712728,69.32043616,42.76371342,64.04809966,38.4875688,42.79552735,51.34056862,48.27326934,58.93841509,34.14797411,47.02179818,45.44600634,50.80433287,45.77973715,46.57042763,48.31756061,56.82909029,51.25155875,51.98457195,"HMDB0028799","2M+K","C11H17N5O4",40.4,0.653516405,"Glutaminyl-Histidine"]
["2.01_358.1263n",376.1601342,2.009233333,"pos",247.3655053,185.6702051,180.4534669,208.9051807,252.4781045,183.6073648,179.9191485,204.7085062,380.6036389,285.9759199,441.298083,486.1561763,358.5092841,305.4325758,433.9949125,519.436641,539.0686561,548.5498135,532.3903542,413.7875903,478.0621336,540.9535424,469.4099372,486.047897,509.0131839,505.7965378,469.8798383,519.0027401,533.8433353,508.7546113,489.9092978,464.4371814,"HMDB0029651","M+NH4, M+K, M+Na, M+H","C16H22O9",40.4,-0.205599642,"Phlorisobutyrophenone 2-glucoside"]
["5.91_357.1904m/z",357.1903815,5.913616667,"pos",17.57095821,9.118750272,9.462000091,16.65672727,15.06695897,10.82345274,8.874842496,14.62758253,12.25509271,16.67574092,12.79094929,17.53645041,11.42303195,17.84294623,13.80003602,19.05105256,6.757509662,11.72521433,13.7137649,6.092734352,6.084419913,6.404331894,8.945822388,13.11592001,10.5950559,11.10867167,8.84752796,10.49256005,17.11312367,15.37915084,16.56837211,12.03796774,"HMDB0029782","M+H-H2O","C18H30O8",40.4,-1.06407581,"6-Epi-7-isocucurbic acid glucoside"]
["2.44_368.1107n",369.1179331,2.4419,"pos",30.17392388,30.54506793,34.62495858,46.18115456,12.37532509,29.4302729,37.53076137,42.48566915,41.00310533,5.851373019,125.784922,62.34578834,26.49658492,7.043519556,114.0556821,67.84262465,181.9079911,44.75591924,58.8637644,23.56302374,89.07798703,176.7571358,45.02859869,56.18161405,81.2963187,76.97399591,81.14965873,85.18443547,86.40752441,87.11005955,83.76633388,80.66904367,"HMDB0030669","M+H, M+Na","C17H20O9",40.4,-0.205188938,"3-O-Feruloylquinic acid"]
["7.35_307.1911m/z",307.1911498,7.351316667,"neg",555.3553329,477.0758422,382.7429814,458.5082262,403.7052326,447.0958556,380.118032,463.7871675,407.5434381,441.9156893,399.4362699,476.3761494,438.5131579,436.6168071,417.0551737,457.4118246,303.7434884,396.1031891,409.1090331,465.4759439,339.4573246,304.8185819,409.8756454,413.0685837,375.6691044,362.3923007,367.4495915,392.0105618,399.1742327,413.5935742,395.7212857,411.2126779,"HMDB0031302","2M-H","C9H14O2",40.4,-1.080777577,"Methyl 2-octynoate"]
["6.50_175.1115m/z",175.1114552,6.49805,"pos",0,0.214068403,2.42367464,0,2.110578168,1.872312274,3.049357927,1.048482726,2.766743915,3.083981712,1.760175455,1.24111152,1.500372711,2.964114271,1.746933835,2.049563316,3.341375335,2.057459169,1.722058177,0,5.878153529,3.912331976,2.868546167,3.323596025,2.787024971,2.452650349,1.990888393,2.932575923,2.3604842,3.539396603,2.620507385,2.110783768,"HMDB0031618","M+H-H2O","C12H16O2",40.4,-1.49025065,"Ethyl 4-phenylbutanoate"]
["2.97_207.1378m/z",207.137809,2.971883333,"pos",9.380373845,4.597626152,10.11954467,9.970883474,7.956183687,6.384209216,9.928866528,10.78046187,14.3587099,11.22635267,13.85009421,12.41237407,11.95507873,11.42524104,14.56516406,13.0117072,13.22481399,17.01395938,13.80107344,14.50018383,11.60426463,16.22732901,17.69756321,14.64745757,14.19490645,11.72792581,11.53575186,14.52202187,12.54719447,13.86454592,13.64608265,12.9982091,"HMDB0032176","M+H","C13H18O2",40.4,-0.714260655,"Benzyl hexanoate"]
["7.26_662.3735m/z",662.3735456,7.264683333,"pos",0.547826009,0.474534455,0,2.153523963,3.091308017,0.232801446,0.78953104,1.466364731,0.953623977,3.620261325,5.968900394,8.926425142,4.330657959,4.9434431,4.655249063,11.18962964,41.27915799,13.80491051,22.9203474,14.75325254,14.96482795,37.76925499,15.5940969,20.4922614,6.872616622,6.649335305,6.070668,4.616179252,6.832917555,9.400238188,9.344506416,9.123058814,"HMDB0038376","M+NH4","C32H52O13",40.4,-1.663117272,"Goshonoside F3"]
["10.03_529.3004m/z",529.3003899,10.03335,"neg",1049.181394,1033.339105,680.3732356,873.199776,999.2946053,995.0691702,701.9632552,873.0908193,1172.624981,837.7413609,890.4787672,1273.376081,750.4962308,798.8361253,881.0934952,1363.113298,401.9236169,713.2880348,727.100739,792.4179714,500.7790381,438.4123934,744.5542878,793.6289866,772.1050017,829.0880775,774.870083,792.2481099,820.6424244,820.7264868,777.3504341,823.1961553,"HMDB0038539","M+FA-H","C26H44O8",40.4,-2.955458794,"Goshonoside F1"]
["3.12_349.2116m/z",349.211634,3.1186,"pos",69.0302264,37.00989647,11.61892365,31.77601031,38.27501854,36.01391784,12.03736566,33.4370821,24.35447883,73.95996553,91.10557817,94.35237408,28.00986157,66.28220352,90.07984581,91.78665896,42.23755664,208.3655551,99.28032187,134.6079591,22.13118641,48.96447567,184.1924581,104.2023802,73.86121512,76.55860904,66.00707175,74.21604108,76.94960387,75.71665646,65.48520634,66.11988353,"HMDB0039766","M+NH4","C19H25NO4",40.4,-1.660155271,"Pandamarilactone 31"]
["6.36_402.1884n",420.2222088,6.357033333,"pos",115.4859357,55.66248003,40.19492584,112.3703041,31.87173394,55.67013199,41.00298204,106.4651422,44.94249476,24.21503748,49.93789558,180.1407367,29.40321922,24.42366137,48.40294758,200.4447967,92.85481147,243.5621292,33.17608481,196.4562484,22.22439145,87.15147411,220.1074148,31.92916052,66.95133264,65.27313162,60.73724647,66.12982753,67.10957151,61.07784863,61.71901658,62.32562583,"HMDB0040729","M+NH4, M+Na","C19H30O9",40.4,-1.48998589,"D-Linalool 3-(6''-malonylglucoside)"]
["2.17_385.1131m/z",385.11305,2.172416667,"neg",65.32765741,47.39946184,80.0451237,76.45736995,56.38448865,47.54000612,82.94866666,74.25921584,52.3091103,56.06414791,60.35111277,94.14510493,86.24593054,60.07078675,58.25773019,85.8147747,107.509015,127.0220634,103.514683,114.4543559,82.29731714,106.4257289,126.9698813,103.2792129,71.07804882,68.74233526,64.29943395,68.94793398,73.12945663,67.47014067,72.73105216,68.27554111,"HMDB0041550","M-H2O-H","C17H24O11",40.4,-2.401334797,"Oleoside 11-methyl ester"]
["7.60_792.4421m/z",792.4421413,7.596566667,"pos",98.30854462,5.915763753,0.738755897,50.03793569,16.76691307,8.554834576,0.611142493,47.91744395,0.597096348,5.514362383,35.67331356,35.64174962,22.46869275,8.931410885,35.83174696,39.34440284,2.336863002,14.84112015,20.57299391,10.99647382,0.506726613,3.203786543,22.52909627,17.15367355,31.52450228,30.44975904,28.8557102,26.53440067,39.45918836,30.25427124,27.31667758,26.64519356,"HMDB0061582","M+H-H2O","C42H68NO12P-2",40.4,-3.068370721,"PS(DiMe(9,3)/DiMe(9,3))"]
["8.43_198.1851m/z",198.1851279,8.4323,"pos",27.62660793,18.30686732,27.19268066,24.06227858,22.53988261,25.10952094,30.77391393,24.16393908,27.59641839,25.33992444,23.96211012,23.87414765,32.15460382,25.97156508,24.81442962,18.5220928,26.28662571,32.813995,26.42372382,31.39525837,31.03546958,27.2489759,35.09791962,24.14588241,25.68512411,24.20941062,26.14319819,28.16731389,26.38351418,28.81545602,25.81715367,29.44442473,"LMFA01100005","M+H-H2O","C12H25NO2",40.4,-0.524615909,"12-amino-dodecanoic acid"]
["3.89_418.2791m/z",418.2790866,3.887,"pos",9.665282656,7.250719279,11.42201769,13.56319741,6.983851233,6.116117808,10.26431354,8.729772249,13.68686842,13.67193899,10.43531028,11.12288826,10.00077239,12.58504082,9.12617963,11.85937441,8.88849296,7.300722228,8.867047289,7.031993942,7.80339977,8.260734406,8.881645936,6.609789346,12.35436349,10.10915613,10.55793679,11.94205347,11.17390471,11.15712374,10.32074399,11.25506425,"LMSP01080065","M+H","C21H39NO7",40.4,-2.018865256,"Sphingofungin E"]
["11.08_347.2190m/z",347.2189929,11.08193333,"pos",1983.67862,1304.325312,1700.417446,1746.604927,1880.598845,1202.148281,1560.437093,1628.045937,924.7767477,782.3593113,1202.918585,1234.735669,1061.465111,710.5485127,1181.260789,1280.33028,596.2171141,791.0592879,874.7572257,712.3644687,529.1102833,526.7004834,746.7874793,776.2525534,1198.760913,1322.679391,1274.17927,1303.350355,1350.992271,1332.747387,1221.267833,1167.879527,"HMDB0000701","2M+H","C8H15NO3",40.3,3.840828847,"Hexanoylglycine"]
["14.11_369.3512m/z",369.3511867,14.10575,"pos",775.0198744,566.2381201,726.6193365,756.3684265,673.5839867,531.4717744,717.2589925,671.7967569,476.8925251,665.4558269,571.844641,559.7725932,745.4221616,654.9878477,544.3693454,567.8952037,613.7250161,849.7811551,735.6332242,756.5056164,640.8260852,549.0015497,810.889978,634.264263,627.0384688,617.1918526,617.9578932,615.0265721,585.8868919,563.6433267,566.4611166,585.3445534,"HMDB0001170","M+H-H2O","C27H46O",40.3,-1.012488619,"Lathosterol"]
["0.98_144.0666m/z",144.0666207,0.978633333,"neg",13.11346338,8.30440035,12.99685063,7.248064337,4.860619489,8.709766648,10.69362305,7.26299835,12.97974892,16.53138174,10.28034452,12.87160397,8.750285769,17.61930505,11.08418397,14.92592212,9.878676815,8.155719665,11.12533753,4.355805244,16.75046964,11.24532452,6.301744771,15.82599855,12.03206156,13.0775028,13.75597852,11.65447405,13.04283096,14.54382893,15.97011805,14.51189168,"HMDB0001263","M-H","C6H11NO3",40.3,0.026846644,"Allysine"]
["13.59_638.4977m/z",638.4976598,13.59173333,"pos",2326.758087,2311.136699,1043.281399,1654.576955,2072.081396,2194.056564,1065.625862,1637.101711,1815.916623,1171.503066,1805.43437,2315.217681,1360.433493,1151.834303,1735.795391,2521.720078,937.4116008,992.1522044,938.1772761,1149.803273,990.5128902,880.380936,956.7942039,906.228502,1223.929196,1440.754274,1454.035147,1209.154179,1301.946734,1400.358033,1332.605416,1453.580752,"HMDB0031228","M+NH4","C37H64O7",40.3,-2.20818067,"Mosinone A"]
["12.85_324.3261m/z",324.3260926,12.84866667,"pos",76.28961456,50.37236445,69.17498322,33.49248224,35.28441125,45.89076156,68.61734928,93.2121126,33.91787279,36.41271562,29.74675064,38.34734447,16.61716491,38.14586621,28.52214589,41.50698381,59.77821744,63.5476287,63.62436324,38.79685721,56.30224844,57.26672425,60.0092631,62.75418946,60.0066025,49.34056353,54.72333098,68.69530025,108.1409932,104.8157311,125.6519468,123.0744016,"HMDB0033608","M+NH4","C21H38O",40.3,0.004105632,"2-Heptadecylfuran"]
["2.97_441.1754m/z",441.1754222,2.973533333,"neg",165.8456654,169.5659477,211.0791116,142.7824577,146.6509141,168.7430045,212.6829593,151.6195106,121.873344,159.4498078,156.5745308,157.533563,173.1886604,169.2698947,149.053192,165.053411,178.1695943,239.8291801,210.0434341,202.0216858,231.6840041,174.426468,237.8265934,203.7096762,166.5331614,164.6454032,156.3790678,162.6641083,151.7810952,164.7885447,165.7989141,159.2566905,"HMDB0036608","M+FA-H","C20H28O8",40.3,-3.025262469,"Pteroside P"]
["1.71_319.1515m/z",319.1515435,1.7103,"pos",153.801163,183.4925709,359.9966672,233.9511253,214.2737301,177.8504586,342.1815241,220.315315,132.9989195,231.3967423,159.8687498,135.7255601,298.3184825,228.0946774,187.6884388,144.6573183,248.3173151,274.7079919,290.3719149,238.6005474,249.2989683,246.9230756,267.926724,266.2084359,193.1844218,194.0146617,172.4798208,213.1458613,194.6702715,220.8016865,195.4905046,177.4567316,"HMDB0038120","M+Na","C16H24O5",40.3,-0.17247459,"Ovalicin"]
["2.95_356.1108n",374.1446472,2.950916667,"pos",72.84526879,83.22954239,93.12299695,54.94316394,45.48001497,78.42697686,84.59777466,56.69549409,93.3078853,64.53332573,65.48853876,63.16659297,54.59010744,63.02017841,61.99138192,62.59008558,69.14127841,94.77494391,70.84321564,88.06229708,109.6563505,72.63819716,88.8190053,66.30318972,66.27849407,61.95358389,59.3552114,65.44961625,66.46611014,65.25030103,61.17803674,59.63708093,"HMDB0040664","M+NH4, M+Na","C16H20O9",40.3,0.251126746,"Veranisatin B"]
["3.56_283.1539m/z",283.1539274,3.55515,"pos",13.1404025,21.26717532,22.89072354,18.72709391,25.35251262,21.0545923,25.57700994,19.29561942,17.44267759,27.75751413,21.35468572,22.72664008,18.1465266,27.02861386,20.64894334,22.19474805,25.77946013,23.04048938,22.03882789,16.93320039,19.32923745,26.34255437,20.63558803,24.18863819,22.05891846,23.57409421,19.16289837,23.50001632,20.46065928,25.52479974,23.00206365,24.33078469,"HMDB0041324","M+H","C15H22O5",40.3,-0.25819642,"Bisbynin"]
["1.38_456.2129m/z",456.2129122,1.379316667,"pos",68.85241994,20.57807348,0.617069694,20.56768598,3.957644693,21.01258939,1.663343276,19.23308654,2.960529879,21.04992447,4.320792234,16.60875524,11.69488525,21.62882063,7.334388542,15.95692456,8.949420733,43.15408547,16.59918975,27.06651094,0.901607118,11.92569285,38.61450523,12.26598387,26.46496665,26.68503645,24.86517769,27.48583734,30.17765313,28.21827284,23.27161161,26.62157283,"HMDB0042019","M+NH4","C24H26N2O6",40.3,0.000195679,"Suxibuzone"]
["4.58_327.2165m/z",327.2165321,4.5811,"pos",34.53654947,23.18004028,21.91078697,31.07862445,26.61896178,24.12630493,20.98801136,31.71019298,19.42914806,27.2036238,26.04128409,29.07924259,21.00074852,28.02755764,25.5928173,29.80386374,13.52086313,17.77642531,17.63458623,13.06898488,13.69922887,25.09971827,32.68211065,25.45867418,27.15729465,24.98273705,24.05120017,24.38949444,25.39746978,29.58415551,25.37488441,24.74610267,"HMDB0062649","M+K","C14H32N4O2+2",40.3,2.941026453,"N(1),N(12)-diacetylsperminium(2+)"]
["10.66_254.2478m/z",254.2478282,10.65863333,"pos",84.97462581,46.06979882,63.85492526,62.71789254,20.90611274,40.17332316,65.84492193,83.34495991,36.74452754,57.5040787,26.522063,55.53068089,21.62449601,51.78112379,27.91725435,56.89606329,56.67549497,46.96858232,68.20754907,59.14837619,75.99322212,39.22112416,34.61315836,58.64504732,65.35016823,63.81864234,61.5738585,70.42527276,73.4964049,73.36848357,83.58023552,62.90875357,"LMFA05000198","M+NH4","C16H28O",40.3,-0.054213201,"4E,6E,10Z-Hexadecatrien-1-ol"]
["10.12_343.3309m/z",343.3309348,10.12018333,"pos",3.104112674,3.222229905,2.715126511,2.439035707,0.597051032,1.805730586,5.195283439,4.481165371,1.100535945,1.035735974,0.611409593,2.740009016,1.146122105,2.290195479,1.578595368,3.119746048,5.91632625,1.240838395,4.322572862,4.561149904,5.756666696,3.170932021,2.265701407,1.453436067,5.755699344,5.316070112,5.568575257,6.634479823,8.473607538,5.978339148,9.233960606,5.489473743,"LMFA08010005","2M+H","C10H21NO",40.3,-2.834187927,"decanamide"]
["11.82_353.3289n",376.3181526,11.82181667,"pos",2331.506123,1963.856079,2878.623528,2262.650228,1059.701858,1861.983278,2671.300686,3137.229609,1367.940822,1710.915772,1730.73189,2228.134038,899.1958917,1697.142501,1808.31661,2185.874983,2092.712683,2764.837951,3152.790081,2692.318229,2982.912753,1914.55798,2678.454072,2924.575562,2588.856513,2556.972009,2638.22389,3057.372715,4071.049885,4017.5394,3514.236002,3705.517448,"LMFA08040010","M+H, M+Na, 2M+Na, M+H-H2O","C22H43NO2",40.3,-1.330891088,"Anandamide (20:l, n-9)"]
["14.14_774.5277n",797.5168765,14.13638333,"pos",7502.249286,8645.705193,1837.601201,1264.113711,1924.880428,8069.367064,1860.716094,1239.278385,9504.665276,1137.991364,2471.50999,2106.38103,2367.453846,1152.544925,2497.781929,2321.620918,2936.015747,2431.889787,2128.988865,2539.077037,9170.650956,2864.779332,2415.433597,1995.848231,2756.769308,2995.311556,3095.25553,2981.855719,2870.311804,2724.005257,2809.435322,2958.513416,"LMGL05010001","M+Na, M+K, M+NH4","C45H74O10",40.3,-0.700764302,"MGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))"]
["14.27_940.6080n",985.6069577,14.2718,"neg",235.2791942,840.0675286,503.0965165,282.6180782,427.1837691,771.0612053,495.8251207,286.9860741,482.1744762,142.6587063,263.6190366,179.1287049,377.408317,138.8859798,269.7189013,162.1859016,336.5828899,235.2441894,261.8672614,227.6670624,406.50072,341.0025495,217.6963137,245.9102203,200.9674193,202.6424184,202.0888494,203.1256871,187.5769283,185.7157617,199.0581502,198.1155022,"LMGP06010524","M-H, M+FA-H","C51H89O13P",40.3,4.177869355,"PI(20:1(11Z)/22:4(7Z,10Z,13Z,16Z))"]
["14.53_905.4976m/z",905.497635,14.53375,"pos",33.57436513,71.34005075,67.32644622,51.90847308,63.31979613,71.81560287,68.57262263,48.85463663,76.90889035,69.00837577,63.21548758,77.79498909,82.01894283,63.87673521,69.03018533,55.07893223,66.18950568,67.13578016,61.03157366,58.90748408,64.71692416,68.49131164,70.05909761,79.20014276,44.00925364,64.05355326,58.45040781,45.71388796,34.89161216,24.22786507,70.90783685,60.39729322,"LMGP06030093","M+K","C47H79O12P",40.3,4.111027198,"PI(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"]
["11.95_411.1725m/z",411.1724988,11.94978333,"pos",6.286451202,7.623286102,9.521781949,10.31409463,7.622660039,8.880971671,10.07615297,9.351527531,11.51786606,9.115521334,8.637153275,18.72489398,10.16031007,8.492240153,9.872548383,11.15275452,12.9863353,14.3603667,11.64556574,13.90597778,12.799977,10.71820805,14.67931852,21.00331041,6.737039576,6.942727843,7.140698608,7.292250622,6.667903818,5.239118659,11.22123948,11.4983245,"HMDB0030931","2M+K","C13H14O",40.2,1.103028104,"(E)-2-Tridecene-4,6,8-triyn-1-ol"]
["1.96_169.0493m/z",169.0493368,1.956933333,"pos",13.04783392,21.86933389,13.4022799,19.22121398,14.29505456,27.35024211,17.22549492,26.58905675,19.60869294,12.39955018,30.65484865,15.29152157,11.95417762,12.58730427,29.74444702,17.09301115,22.14496455,20.68986647,20.38808412,22.88423499,17.61690309,23.55185218,23.73729251,21.10742063,18.74739539,17.0758797,15.66847406,20.32136682,17.78232597,20.49506564,18.64277246,19.08999525,"HMDB0041026","M+H-H2O","C8H10O5",40.2,-1.066042953,"Erinapyrone C"]
["3.15_318.1807m/z",318.1807278,3.15075,"pos",8.229576133,17.75672881,10.50978113,7.389610566,8.933250055,17.57535576,10.70446475,9.317478841,9.015182364,6.512774334,4.95814766,3.125552257,4.101043701,6.984092872,5.889129174,4.524345845,3.139330289,2.375044571,1.544833915,1.881443319,2.238681453,2.284954288,1.630975485,1.850017087,5.539788246,5.724021961,7.036238104,5.773880624,6.150861287,7.031257672,5.696902423,5.963542153,"HMDB0029086","M+H","C17H23N3O3",40.1,-1.545622699,"Tryptophyl-Isoleucine"]
["10.55_571.2873m/z",571.2872974,10.55415,"neg",1000.647687,2823.324837,2206.556751,1642.961577,1660.572645,2879.04022,2271.475707,1624.817219,3700.608987,3823.830615,1924.086307,1862.415374,3183.898049,4008.419283,1956.58421,1930.774031,9537.220181,2725.30442,4397.081612,2699.892348,14005.04092,9767.786142,2855.552088,4620.497709,3307.013641,3398.565537,3455.731491,3336.134731,3289.299744,3411.238596,3470.993267,3465.977321,"HMDB0061695","M-H","C25H49O12P",40.1,-2.777874217,"1-Palmitoylglycerophosphoinositol"]
["3.18_365.0873m/z",365.0873043,3.178033333,"neg",5.803058549,2.815841595,9.090490537,5.935456405,4.266862305,2.26818567,9.683990479,4.402404841,6.784099394,5.046234554,6.631250346,5.759309639,6.76738167,4.595467935,6.125629951,4.970147481,9.41234665,3.615978823,7.866778433,3.80305393,9.241045504,6.827023397,4.12365247,7.579647205,4.261317966,5.652616545,5.141440486,6.160004953,4.685592175,6.06864622,5.579435627,6.651801084,"HMDB0029549","M-H2O-H","C17H20O10",40,-1.305427257,"Eleutheroside B1"]
["12.18_599.3183m/z",599.3182616,12.17973333,"neg",1260.140648,4230.742049,3461.054439,2402.674176,3104.260008,4276.66847,3680.738791,2374.487873,4567.186516,5515.015442,3341.2397,3126.079083,5349.668732,5454.002502,3518.528871,3314.816314,7873.530299,4933.35473,5893.805195,5072.869642,10794.88288,8141.567052,5091.106609,5891.712833,4168.053126,4261.734459,4255.544852,4350.024677,4355.164832,4325.74493,4276.889662,4360.902108,"HMDB0061696","M-H","C27H53O12P",40,-3.207813367,"1-Stearoylglycerophosphoinositol"]
["9.13_200.2007m/z",200.2007356,9.12605,"pos",107.2667169,55.16288317,116.7728323,91.24203206,48.24741424,55.15134751,108.7442121,93.91976225,80.87269039,78.63454296,39.53956309,79.06677015,81.73764311,83.35345588,37.92816717,75.07340964,65.19266477,69.47062088,62.99665348,98.14077451,77.12863131,63.56021874,67.78541347,62.72225968,89.6947511,98.63140815,87.25053957,90.46258741,117.3018317,124.9773168,100.8746728,104.6123377,"LMFA08010001","M+H","C12H25NO",40,-0.779208295,"dodecanamide"]
["6.69_507.1870m/z",507.187046,6.687516667,"neg",549.2911655,269.0126131,415.7453363,528.0577364,470.0667513,263.909914,416.6942661,511.3260029,367.4136538,527.7490039,478.5824645,570.2445517,467.4388189,517.6120031,497.1465621,561.6683829,501.4925354,673.3225508,615.7068059,906.4070233,433.2139883,533.6056605,687.5785275,607.3263687,442.9520281,438.2744574,458.160027,471.7399044,472.5157173,466.6323409,460.7159294,477.3144961,"HMDB0035039","M-H2O-H","C25H34O12",39.9,-0.264902245,"Phaseolus e"]
["10.01_323.2824n",306.2791062,10.008,"pos",762.5258773,583.8117334,473.3435297,712.4683953,495.6992567,588.417666,462.0409977,661.9023131,658.2428575,582.6667416,497.9278987,817.4904097,511.7776917,608.5644595,433.9187505,821.8388792,482.0154653,668.6023086,641.195202,670.4768405,381.1510137,435.1806455,673.6326102,601.5634803,575.8715898,570.5683402,565.868431,584.0369894,576.6783684,596.2140327,588.4235987,573.5596264,"HMDB0012252","M+H-H2O, M+H","C20H37NO2",39.8,-0.108115387,"Linoleoyl ethanolamide"]
["3.62_299.1479m/z",299.1478761,3.617833333,"pos",17.29627183,23.30705328,35.29682464,24.25480194,26.6631316,26.29068236,36.07870202,24.29695698,25.7510954,33.72494355,26.13628771,30.53401028,23.58522942,32.78349334,23.53922454,29.69525677,27.57403873,21.80787885,26.3859102,20.16787437,26.05986397,31.17587357,22.29636503,26.40088213,27.57045987,27.52132892,28.51401064,31.04032858,29.39841666,32.04676495,30.52932082,28.89320215,"HMDB0031850","2M+Na","C7H10N2O",39.8,0.106929202,"2-Ethoxy-3-methylpyrazine"]
["9.87_314.3416m/z",314.341611,9.865116667,"pos",50.98754088,21.8701955,39.72456286,9.519391621,9.461409044,19.21608969,41.36169055,12.95309678,4.125311636,6.406420273,7.753385994,22.88820671,3.452958045,5.81714487,6.952568088,19.84319968,45.94814304,25.20065995,24.5860084,15.91958897,31.26919729,42.82056986,23.11445656,20.44384151,43.45818755,44.37697343,42.69213938,52.93143173,92.55711513,89.02983835,80.60315356,74.45886861,"HMDB0002019","M+NH4","C20H40O",39.7,-0.440033576,"Phytol"]
["13.22_638.4957m/z",638.4957094,13.21528333,"pos",468.4657181,545.1029787,261.2963928,371.6812468,431.7786276,466.0181063,256.3668232,381.7353142,390.4543181,330.4050522,401.673229,629.1925737,325.8562989,260.9962074,382.8305568,563.5198295,204.2972846,228.7646961,210.9671491,217.4110573,214.5018751,236.022067,200.9463263,211.3929318,225.3762767,326.1362373,273.7226984,301.9956207,412.0711005,341.2602628,333.1745995,388.4939501,"HMDB0014449","2M+NH4","C22H30O",39.7,4.114188465,"Desogestrel"]
["1.86_351.0718m/z",351.0718328,1.857933333,"neg",355.1087938,204.8959344,333.5458521,363.9491487,221.501396,204.6773624,353.7778339,372.9683735,296.0647438,305.3956642,347.4988818,462.8613375,270.4606395,302.5233253,375.9586494,425.8342348,651.6713991,503.2096559,548.2405075,556.5333131,358.0346467,623.8399014,506.1590826,606.7186941,388.89565,388.2059202,389.4613056,405.4090763,421.8773115,454.2949968,439.0580711,425.4119646,"HMDB0038361","M+FA-H","C15H14O7",39.7,-1.054703194,"(-)-Epigallocatechin"]
["11.81_517.3039m/z",517.303874,11.81065,"pos",135.7263118,32.67138058,16.77808278,63.98399153,98.15183448,29.92470309,21.45535191,54.39013393,38.57642519,70.32984038,82.78605512,95.00080115,58.87617474,67.78303622,68.33897198,78.35492828,15.92465846,65.50185672,65.71543629,83.25668238,23.43425815,16.73489551,61.5213497,67.64698821,56.05284814,47.49893846,55.65754185,50.05238596,43.71416807,45.95914372,52.34841736,54.34303546,"HMDB0014597","2M+Na","C15H21NO2",39.6,0.395453047,"Meperidine"]
["2.17_326.1940n",344.2277986,2.168066667,"pos",65.8961279,64.49467685,56.85112424,55.67536014,59.67763149,70.34442867,65.71548194,67.75918096,77.78450735,101.0770193,71.28485758,76.00303823,72.05666737,118.7198491,82.66295344,79.99528133,76.57831904,105.1177053,141.4757116,97.52297066,98.50394842,116.7198173,143.3563695,167.2822781,92.30085921,88.41081449,91.18684156,108.6082509,182.3103698,208.1277217,190.6316601,184.1589004,"HMDB0061835","M+NH4, M+Na, M+H","C14H30O8",39.6,-0.290804582,"Heptaethylene glycol"]
["15.89_618.5211n",641.5102922,15.88571667,"pos",746.8595321,878.0443587,684.8658521,454.8194802,810.5531135,1014.81713,776.3026156,520.4161088,656.4376063,335.0097984,421.3751515,327.9263707,516.7671368,464.9010526,445.7845782,382.750969,529.8718848,624.4830498,486.4873376,623.149662,491.9261136,713.9464991,453.7176632,548.9625065,211.1685671,209.0529721,216.9747412,335.1139246,326.0622365,294.9604691,293.2174775,230.8444482,"HMDB0007190","M+Na, M+K, M+NH4","C39H70O5",39.5,-2.027115252,"DG(18:1(11Z)/18:2(9Z,12Z)/0:0)"]
["3.43_415.1965m/z",415.1965384,3.434516667,"neg",17.87221134,14.19453219,27.0433033,21.9021252,18.41714962,13.91694787,27.55077623,21.31690539,14.51554762,37.62570248,16.23734609,12.0421439,22.33040706,35.4808446,18.73522709,13.63826068,21.97591715,26.47761342,18.05455886,21.48467747,13.1022186,19.89284349,26.9166119,17.69251911,20.19151958,22.67213406,21.38127269,23.53418671,22.79623389,19.94872197,24.85304403,22.52773342,"HMDB0032841","M+FA-H","C19H30O7",39.5,-2.20911593,"5-Megastigmen-7-yne-3,9-diol 9-glucoside"]
["8.74_238.2660n",277.2155966,8.737883333,"pos",532.3170831,701.0086445,493.6047829,493.6285626,530.0474557,672.8330549,458.0817215,505.1599626,615.3183237,474.5967423,485.8396468,606.3300682,450.5081366,499.7374426,462.2828612,601.988048,506.1778231,460.0287979,394.6503237,452.1343675,500.4634828,486.2789989,434.4359013,385.8099928,515.9350823,506.1899245,489.9785167,501.7603502,532.7727344,527.9941248,493.4753723,510.1716766,"LMFA11000102","M+NH4, M+K","C17H34",39.5,-0.300405101,"8Z-Heptadecene"]
["7.48_370.1435m/z",370.1434679,7.48,"pos",20.05245579,12.36579679,7.856020045,17.9117391,12.26249397,10.67938621,8.643382169,13.66855708,8.015098355,13.61736927,10.01619918,13.25777544,9.502755694,10.95982277,9.762475302,15.13086285,4.92881374,10.60252072,8.240833424,6.959859306,3.577716697,4.439755507,8.110449623,8.19268838,11.50619556,10.9445164,10.70308083,11.40707542,11.15746655,13.56319695,11.17054628,11.42267517,"HMDB0001209","2M+NH4","C4H8N4O4",39.4,1.513211016,"Allantoic acid"]
["1.64_311.1005n",334.0897231,1.636216667,"pos",55.99638071,49.90802328,61.64935538,59.70840536,88.4505461,48.7113387,59.21958565,56.51686594,70.17871982,85.73210066,76.14805639,129.1481754,103.9081364,74.72987665,72.35269618,134.0698856,124.7710792,120.9037199,93.29752284,110.3981284,119.2495955,112.3952656,119.3138919,92.43131452,94.59984258,93.83938278,82.96047902,97.54067167,96.86443736,88.95594172,89.93660229,85.18526857,"HMDB0030704","M+Na, M+K","C14H17NO7",39.4,1.594261E-3,"Taxiphyllin"]
["7.41_511.2170m/z",511.2170284,7.411916667,"pos",438.1821941,183.5275504,155.9637918,306.0704243,673.8877513,179.5433792,138.9519308,313.0220615,189.7627125,430.6089186,514.816308,267.1280515,483.7972177,442.0537128,509.6816282,257.7851291,234.4842682,826.5069994,609.3924752,1397.558409,439.7966196,229.6758395,774.1773692,572.9435898,353.2906962,367.1781404,357.4028365,360.576589,395.0219404,390.291617,378.6130428,365.5117272,"HMDB0040647","M+H-H2O","C25H36O12",39.4,-0.681394183,"16,17-Dihydro-16a,17-dihydroxygibberellin A4 17-glucoside"]
["10.50_337.2376m/z",337.2376123,10.50453333,"pos",18.48754761,9.886501792,9.63453967,17.90597717,28.61997278,10.61847206,10.49827383,16.38293016,5.218344283,8.618513207,30.20282989,20.66922827,22.07494711,12.03263175,32.29050665,19.34844766,11.12381263,19.96537511,21.08410367,25.25630453,5.784754776,12.03385388,21.30615054,20.56584485,19.69249382,18.15282108,19.9224144,20.60403935,20.62551789,20.04049426,21.8450618,20.59869403,"HMDB0013105","2M+H","C10H16O2",39.3,0.822037628,"trans-4,5-epoxy-2(E)-decenal"]
["6.15_240.1596m/z",240.1595931,6.150016667,"pos",0,0,0,0,0.239913651,0,0.150375555,0,2.608081006,10.71349889,2.00390744,12.06326952,3.137943666,10.6368061,1.722530701,12.17590768,0,0,8.18607293,0,0.659890543,0,0.402730166,9.350026542,0.960666989,1.729230794,1.209652511,2.256104645,1.572353879,0.775065605,1.332775685,2.052884066,"HMDB0032121","M+NH4","C13H18O3",39.3,0.779622961,"Annuionone B"]
["12.27_443.2767m/z",443.2766753,12.26565,"pos",54.10700711,40.71544857,33.14269311,39.87288391,41.51318653,39.96736604,34.91412642,36.51689166,24.71268993,39.58329667,36.69155303,27.90116461,31.98268973,33.45482785,33.29504924,27.55457555,19.95023359,15.54203001,41.44281517,29.84657467,26.51425631,22.21007782,12.19752527,42.12007913,31.71826866,30.94250844,33.85532285,20.85550151,26.91153473,21.05200652,30.51030151,27.2020827,"HMDB0032443","2M+K","C11H22O3",39.3,-0.672605508,"3-Hydroxynonyl acetate"]
["11.91_635.4319m/z",635.4318907,11.90975,"neg",102.858869,90.99136131,41.64168213,69.04641312,126.7491227,84.9696246,43.3642655,60.19472313,78.16398366,66.86957343,117.9527062,90.36243898,67.86760308,66.1837962,116.8531302,109.0979593,49.5961395,43.62821951,56.88469009,61.53747179,49.91055107,49.61688496,37.45377941,53.73809667,68.98802063,66.87435937,59.76762039,73.6559176,70.12237535,56.06553051,61.77353193,57.99560532,"HMDB0001337","2M-H","C20H30O3",39.2,0.278838129,"Leukotriene A4"]
["3.01_566.2420m/z",566.2419585,3.014,"pos",3.130095887,3.185602685,9.029038796,4.495832569,3.340230902,2.498226491,6.886155142,4.880181742,4.115051447,6.523435644,6.228434906,4.375395163,8.31783482,6.457908996,6.185514396,5.453981779,10.29290602,15.05190527,7.001789238,7.468676506,8.495578278,11.21506572,12.40301362,4.631475449,7.232862825,6.262574119,5.380524977,7.800381238,8.892072177,5.494480856,6.7371778,7.208996151,"HMDB0028796","2M+NH4","C10H16N3O6-",39.2,0.569926718,"Glutaminyl-Glutamate"]
["0.97_130.0875m/z",130.08754,0.967466667,"neg",139.3696833,135.4241152,202.2106351,160.9275905,184.2016864,136.2440017,206.8094508,154.6208739,247.9807462,124.1753982,162.7756619,154.9001633,202.6644904,145.4048961,173.9877163,156.8669603,227.9947853,276.4421356,152.375496,226.4570239,161.9183437,222.2321886,292.6641767,155.9308522,205.3150703,213.6941213,209.6969514,203.8128528,207.8679849,207.8631899,219.221449,219.7290043,"HMDB0034301","M+FA-H","C5H11N",39.2,2.206471348,"Piperidine"]
["0.64_140.0119m/z",140.0119429,0.637166667,"neg",30.6580346,24.52729131,13.16914544,22.3970883,19.2180883,23.71059636,13.45820123,33.54538753,26.00184428,26.37441101,31.47048664,23.38535024,23.39120737,25.47035973,33.87312559,31.87528442,32.6423178,37.34549924,33.80562435,47.57082945,14.8914326,29.85240081,29.46226101,18.07540909,26.79384252,20.12194236,17.66153985,18.65491199,27.53919888,31.63099372,29.38125728,32.11868142,"HMDB0000224","M-H","C2H8NO4P",39.1,0.886161797,"O-Phosphoethanolamine"]
["12.69_517.2525m/z",517.2525299,12.69488333,"neg",7.272813311,63.55272661,10.86988523,11.14512649,62.80631306,67.20663155,15.87336873,16.21740212,81.89954976,47.98703037,39.89120546,69.34094719,24.29879631,45.45002827,45.301405,71.17081099,76.63645448,16.92435487,36.41706845,10.43293323,145.0185566,76.71535711,12.92685149,36.13836365,36.51818901,35.86371615,40.22391933,38.13780117,37.32504238,39.20682423,37.39247776,39.25248345,"HMDB0028822","2M-H","C11H19N2O5-",39.1,1.954415601,"Glutamyl-Isoleucine"]
["5.12_313.1641m/z",313.1640975,5.120366667,"pos",2.829219016,6.600595796,5.433008709,4.014667691,6.85793217,6.562960138,5.51132264,4.703154079,2.134485547,6.885841207,3.709517321,3.387957898,3.108276503,6.43231526,3.724366876,4.004470672,2.728636699,0.431408522,2.335901787,0.150042858,1.854314611,1.72979992,0.313007791,2.015243709,3.797576271,3.982542551,3.211059666,4.014800483,2.744464278,3.236065739,4.016352362,2.857287661,"HMDB0031101","2M+H","C8H12O3",39.1,-1.497242887,"8-Hydroxy-5,6-octadienoic acid"]
["2.52_743.2382m/z",743.2382105,2.5189,"neg",8.161739162,6.031870577,6.468907827,6.995002781,11.58669465,5.732235589,7.540308282,7.490165951,5.92346578,7.341769859,19.13738777,14.78110212,5.497420627,10.60432998,15.88252544,15.11724661,11.36927913,24.77771201,17.37098627,18.03395627,4.191483191,8.566220517,21.09613242,15.9705674,10.08521505,9.680398202,9.665057249,11.67186559,8.39049167,8.796871915,10.47777968,9.073333905,"HMDB0037750","2M-H","C20H20O7",39.1,4.94591501,"Cyclokievitone hydrate"]
["10.82_665.3557m/z",665.3556641,10.82066667,"pos",5.392657126,7.405633325,7.293518147,6.170007622,4.717484746,5.725761316,7.283694562,7.530559295,6.760464683,8.360961305,12.84192452,10.34785974,6.184678152,8.198747605,10.98742932,5.753208504,14.11659051,15.60521183,14.50636669,11.23255874,12.36986053,12.99510213,14.456535,22.87212987,4.261954952,6.104459984,3.801488421,6.401304307,8.344238946,6.076214454,5.79606187,6.612297562,"LMFA03010175","2M+H","C16H16D6O7",39.1,-0.059313062,"Tetranor-PGEM-d6"]
["13.36_824.5165m/z",824.5164797,13.35868333,"neg",65.49303257,90.2487606,58.45748741,50.61007182,90.35869016,77.33331864,55.28624413,58.52789697,80.84021657,70.69191875,84.2634143,76.29418073,85.61439319,67.11717952,79.44932611,64.88446818,55.58532223,58.70319187,67.52887094,65.41591089,80.47932239,55.05621833,51.02440134,63.81524389,59.38734041,62.03118333,62.49073758,55.97337709,58.56371499,55.75230566,65.81416812,54.51748631,"HMDB0012313","M+FA-H","C40H77NO11S",39,-4.434104742,"3-O-Sulfogalactosylceramide (d18:1/16:0)"]
["8.00_242.2840m/z",242.2839516,7.995666667,"pos",12.59861185,11.62390959,13.3852919,9.599591087,9.761380917,9.531466687,10.79525574,9.558905215,11.43761962,9.572240122,10.72356755,14.23577847,9.693383618,9.122891529,7.70906718,7.713184508,10.18831378,13.79534691,12.70414172,13.47412663,12.94451909,11.90613575,14.44282943,20.53069019,15.71920184,15.905571,14.08484338,11.74964941,13.73910329,12.52634332,10.35323484,12.00405464,"HMDB0032449","2M+NH4","C8H16",39,-1.226182229,"1-Octene"]
["10.32_643.3806m/z",643.3805895,10.32253333,"pos",10.26623018,26.02457538,19.91508211,19.3969556,33.1159979,25.606029499999998,20.63043722,19.40360389,14.90342156,21.42816881,31.98382851,30.61614977,23.15707468,23.35924192,27.06991038,31.16769407,24.09756837,18.38228658,31.51953288,17.39647404,25.18381918,20.94066349,11.6439807,25.86171126,23.0679454,25.98021193,23.13665998,27.17147546,29.27350605,23.21359331,21.08814828,20.01279976,"HMDB0037830","2M+K","C16H30O5",39,-2.013089581,"xi-7-Hydroxyhexadecanedioic acid"]
["11.47_386.3261m/z",386.3261308,11.46971667,"pos",283.3146409,254.0037753,353.1638991,247.2337672,358.7356741,236.0029824,317.5142039,242.5620152,143.1268981,215.532125,540.779068,425.1080145,438.7317885,191.8285082,522.1809182,397.4067953,333.232064,244.9846521,399.3952453,208.0230038,456.3573386,326.7035756,243.5319086,405.9593105,509.494438,503.5867252,476.979432,534.9439289,491.5778482,499.5127579,471.28718,490.8075649,"HMDB0038073","M+NH4","C22H40O4",39,-0.962511644,"Octadecyl fumarate"]
["12.96_378.3508n",417.3356347,12.96398333,"pos",128.2452392,188.8216048,110.7787373,91.63551466,110.8066523,160.0754795,108.9538834,89.07273674,101.3245522,202.4913781,110.4305453,84.15292968,95.38433618,183.1471402,108.5599721,79.09695436,80.62260399,37.06033789,96.98244415,40.93570766,66.07844093,77.65606693,34.30431093,101.5208307,78.38829023,94.85369869,98.82725322,60.10239432,69.73613319,81.4959854,89.81100845,96.55560064,"LMFA01020233","M+Na, M+K","C25H46O2",39,2.706765688,"23-methyl-5Z,9Z-tetracosadienoic acid"]
["5.69_463.2956m/z",463.2955999,5.686583333,"pos",23.25503429,9.684257068,2.109763071,14.50083221,9.050457367,12.24733872,3.947203217,15.69749907,8.637891187,19.280924,23.6295303,23.34469066,22.50847949,18.46915709,23.31478158,27.26087992,24.16960932,32.50879535,20.53916315,32.74540143,10.35217963,27.5824002,29.60382917,24.28407782,22.92963326,21.59230829,19.6362391,18.08502865,21.81377853,24.28498906,17.44714631,21.56102353,"HMDB0006327","M+K","C29H44O2",38.9,-3.980004879,"Alpha-Tocotrienol"]
["14.33_339.3255m/z",339.3255276,14.3263,"neg",49.77035536,42.674728,29.55475111,25.10651133,29.42968485,43.34309048,30.92693855,25.48041048,48.40427658,30.46284414,31.96467713,28.60545346,22.21332335,33.8403298,36.49368112,29.74443264,27.79620882,30.73638738,26.38412139,23.13280983,18.42383804,18.78894371,23.65234536,29.45564649,26.52029115,26.09406638,26.84542856,29.08809844,23.12873866,30.6455327,24.42937626,26.61139238,"HMDB0030941","2M-H","C11H22O",38.9,-3.897983027,"Undecanal"]
["3.50_220.1694m/z",220.1693791,3.503966667,"pos",1.574742166,6.239460921,6.019379555,1.63422042,8.798340293,7.996870698,5.180259225,2.160028364,5.534524804,11.08670601,6.313034452,3.54452544,4.62920769,10.49103013,5.29454175,3.343639705,9.659519553,4.876517624,4.696283191,2.372083019,23.31624638,10.63322624,5.789792989,6.950563105,7.843767537,7.301143739,7.252176999,7.860013966,6.985420935,7.596702031,7.912991624,7.074070459,"HMDB0039356","M+NH4","C14H18O",38.9,-1.046956968,"Panaquinquecol 5"]
["8.43_194.0827m/z",194.0826533,8.425266667,"neg",48.03180911,48.12390072,44.47589911,35.20923662,34.16182771,36.15934368,66.93199384,33.4600498,49.57074625,34.71752788,39.72349528,51.41271608,58.38202589,48.81768626,45.87413705,38.91787833,61.15421393,54.57767931,53.95632645,61.78331684,42.93628592,48.23183981,62.2377496,75.40877898,40.24485159,44.76733696,39.6623924,52.3960971,47.76126834,55.1308043,55.57009644,44.0089917,"HMDB0060351","M-H","C10H13NO3",38.9,1.980768998,"2-Phenyl-1,3-propanediol monocarbamate"]
["0.66_162.0528n",163.0597735,0.65595,"pos",153.0530978,108.6461431,122.5295158,77.67669203,113.7035287,97.35543571,114.7166909,99.02521048,137.1717775,188.7158541,156.2439082,160.1119651,152.992181,122.5306788,176.4020765,150.7654388,149.7897956,237.1437445,162.3413644,190.6091276,129.8861774,124.4443151,198.5659888,192.018017,145.5581242,112.5382134,116.1070462,182.4938329,144.8886424,145.7677832,140.9022072,168.7274737,"HMDB0000321","2M+K, M+H","C6H10O5",38.8,-0.084877722,"2-Hydroxyadipic acid"]
["13.16_440.3288n",463.3179959,13.16453333,"pos",256.018658,254.2145496,220.1658344,251.5065293,245.2036283,262.5182071,201.0333738,232.0710128,201.9378594,169.1712161,181.7256747,199.1129515,196.3939465,178.0425853,181.5622687,211.7625271,223.7013353,170.675503,182.6009662,210.7169889,188.1437727,201.7934005,167.4584887,163.3454296,157.7281972,169.6091781,183.467086,112.2256198,114.6202205,127.8861388,155.6515432,160.7957094,"HMDB0012560","M+Na, M+K, M+H-H2O","C29H44O3",38.8,-0.613267607,"13'-Hydroxy-alpha-tocotrienol"]
["2.06_340.0808n",679.1508069,2.06425,"neg",122.7292884,2.32413628,13.26041745,20.81086671,9.902730719,2.320048944,14.97352619,21.63072571,7.688997681,16.43459321,4.093011412,2.680506412,73.17728019,14.34276308,1.097672715,3.857351505,83.49575613,108.4996818,115.2780652,173.9382851,9.226818496,83.14747055,119.1536439,112.1447156,35.57167187,37.15888916,38.5103892,35.69258958,34.38479233,36.37643155,39.73836647,37.23572721,"HMDB0030820","M-H, 2M-H","C15H16O9",38.8,4.050962455,"Aesculin"]
["3.10_624.2615n",642.2953464,3.097633333,"pos",19.08583144,21.287533,24.49285499,32.63092874,37.65158535,17.89344413,19.19151758,31.77925292,17.28443968,47.34891047,37.83886695,60.31631935,31.65689697,47.58832251,38.23865212,62.89606459,69.1339137,62.7784683,76.22954434,43.592288,45.18616886,59.26291824,54.78761788,69.16081598,40.61914325,41.35148689,39.69259255,43.59002691,47.57865949,45.1205714,36.97023217,42.29511421,"HMDB0036105","M+NH4, M+Na, M+H","C27H44O16",38.8,-2.265844299,"Kanokoside D"]
["1.55_390.1760m/z",390.1760015,1.551033333,"pos",54.0970833,22.11407992,16.78562408,58.85101162,26.72650832,23.26314029,17.28328987,55.14684143,47.59214984,52.49436594,57.82711648,67.95156418,45.23738238,54.32064733,56.20698503,74.88637061,118.7784977,191.0813617,65.23903539,187.0294079,33.67416226,111.7052718,173.2583429,50.02853718,81.08548516,75.36649937,66.96741612,76.57667919,75.0815198,66.26348868,59.0225281,61.60276495,"HMDB0039234","M+NH4","C17H24O9",38.8,0.385939456,"Citrusin E"]
["17.55_884.7825n",907.7717062,17.55065,"pos",10681.72508,7705.508076,12427.95334,11160.70519,10916.86221,10602.46409,14948.15747,13470.96491,6718.15538,5957.282266,9595.541723,7660.885124,12621.23138,10334.02918,12198.45889,10918.69338,11608.86611,13004.25177,11800.59129,10212.84266,12164.22187,11247.9251,13573.75174,12907.1055,7104.776925,7518.844232,6665.878606,6364.958788,7965.784958,7059.238857,6171.144624,4694.282136,"LMGL03010294","M+Na, M+K, M+NH4","C57H104O6",38.8,-0.910375855,"TG(17:1(9Z)/18:2(9Z,12Z)/19:0)[iso6]"]
["6.77_475.2815m/z",475.2815373,6.773733333,"pos",31.99187141,38.13804299,13.18147651,18.07589982,17.73867345,37.16393568,17.06216204,21.90465034,5.218036615,7.329348775,20.55996313,11.98175369,16.22512169,6.288661409,19.95029856,12.57978979,6.564678564,6.041403072,7.250467799,4.407369041,7.973202584,8.124597663,4.541824204,7.205400517,12.3351803,10.89074632,11.81398712,13.94336057,10.32256434,14.8962471,12.92459465,11.48297302,"HMDB0002195","M+K","C26H44O5",38.7,-1.135098,"Varanic acid"]
["2.76_577.1884m/z",577.188382,2.756916667,"pos",11.3992959,23.87460617,11.58198443,14.91158749,12.31935609,21.79196712,10.9004108,15.08597866,4.878183815,13.05117159,5.821804386,1.481709994,3.832268295,14.51711567,4.438709368,0.520185002,0,0.420316157,1.216766468,0.684220448,0.159571616,0,1.209513087,0,4.659816308,4.193388604,4.370579697,5.156516412,3.917494427,5.374537491,5.177485657,5.057059401,"HMDB0028880","2M+K","C10H15N5O4",38.7,0.772854998,"Histidinyl-Asparagine"]
["8.60_543.3425m/z",543.3425447,8.5983,"pos",16.18768751,71.17539523,12.72206861,12.77418051,10.92133594,67.50967264,12.59976222,13.95109549,26.08561753,1.652120229,11.06497653,14.42894155,11.63245488,2.016234492,9.677675604,18.18347051,6.308296544,4.47303708,2.164663206,0.351791066,6.032222773,7.549903334,4.262144577,1.128151207,6.276856656,7.786940106,6.882369163,6.939865107,6.881235864,5.39732427,5.613944753,2.596556053,"HMDB0033941","2M+Na","C17H24O2",38.7,-3.720560535,"Falcarindiol"]
["4.53_331.2093m/z",331.2093066,4.530266667,"pos",12.20667439,13.13724187,24.21716378,15.05491332,17.54736827,16.05166404,24.67109051,22.99660679,52.01238189,6.940537176,7.225812171,8.911235715,18.78673859,6.574218537,5.989182751,9.292995913,17.9286636,24.41807163,16.48641776,29.01311094,19.04263133,17.88909258,26.89733801,19.45968163,20.87489978,21.99043498,23.10888352,26.92863278,28.60771303,32.4908172,27.26899183,29.07467589,"HMDB0037162","M+Na","C15H32O6",38.7,0.63961079,"1,2,3-Tris(1-ethoxyethoxy)propane"]
["9.76_657.4328m/z",657.432821,9.764116667,"pos",7.387377121,27.76762181,4.415048177,14.9561191,19.58737788,28.81998684,5.791909516,11.49344291,6.583572493,13.42152252,12.67457792,17.55467707,5.77274972,15.35665977,10.83419764,20.20963137,10.48347686,1.207966956,5.535175795,2.40816264,16.16671354,13.22657752,0.993615163,5.028149821,5.461469798,6.717109229,10.47874973,9.584358635,11.63921955,8.679645512,9.036530546,8.315277752,"LMFA13010023","M+K","C34H66O9",38.7,-1.650398555,"1-(O-alpha-D-glucopyranosyl)-3-keto-(1,25R,27R)-octacosanetriol"]
["2.51_442.1273m/z",442.1272531,2.50545,"pos",0.983004226,2.254912384,4.083709482,2.577681027,4.700758377,2.257779847,5.612911424,2.095468727,5.242548486,1.710573791,1.743006322,1.991429016,5.153108726,2.031330846,1.793693659,1.337482876,2.535844455,2.694436462,2.290911131,0.665973173,5.131689951,2.659038794,1.362271034,3.154053617,1.110980653,1.758652547,2.394024257,1.780493195,1.279114907,1.342496545,1.461861865,1.949379749,"HMDB0013696","2M+NH4","C13H8O3",38.6,-2.972678482,"Urolithin B"]
["3.78_302.1728n",285.1694974,3.783116667,"pos",2.531755872,7.836496892,7.261906301,4.495467293,30.69062812,6.073697366,7.737259008,5.375685745,5.443137621,44.64891541,41.65550398,73.23308517,11.0966109,43.97815865,33.42014016,66.20189943,68.61466525,40.63687282,54.57515944,35.52798308,68.42230468,68.41123146,38.49941612,60.90696512,46.26016374,48.60233763,45.30130112,53.44519987,48.36569825,51.74104648,47.11847787,48.45131319,"HMDB0031094","M+H-H2O, M+Na","C15H26O6",38.6,-0.505961278,"Glycerol tributanoate"]
["1.78_362.1450m/z",362.1449952,1.780216667,"pos",8.207657285,8.101755433,9.155641422,4.746209958,14.04843657,9.950363622,3.189407822,1.896003316,3.981162229,5.826759423,14.58856838,12.68201229,5.034576476,6.332941606,17.97323001,7.902395006,13.48832009,4.469671665,7.689629401,2.860762678,2.897498849,15.60613031,6.37972966,7.703822636,10.68436441,13.13529064,8.877776786,10.35734644,14.57860663,14.23791439,12.63222685,11.79282915,"HMDB0041208","M+H","C15H23NO9",38.6,1.211206591,"De-O-methylsimmondsin"]
["9.63_402.3209m/z",402.3209413,9.62895,"pos",45.89005175,26.69398281,33.04535695,41.53772437,39.85329569,30.27433885,30.4084861,51.0341182,7.037450953,29.15323241,61.74693356,72.1122025,52.97981608,27.00126185,51.22460378,78.15897754,30.28167278,41.22303195,69.90857665,32.72128597,33.30565296,33.51752909,37.43875584,54.39332458,52.17996405,47.29780886,45.65534351,49.52269828,53.73406241,47.71001247,45.51159158,46.31302274,"HMDB0061641","M+H","C22H43NO5",38.6,-1.14280811,"3-hydroxypentadecanoyl carnitine"]
["5.47_569.2716m/z",569.2716146,5.47275,"neg",4251.077785,5193.028291,6421.533558,5785.301221,5687.950736,5150.877655,6525.286509,5651.905213,5314.099857,3269.689032,3049.333636,4005.714105,5618.139113,3330.280695,3221.238052,3938.188882,4190.989081,4341.135242,4652.799129,4441.993407,3892.346546,4294.678125,4323.897965,4632.791607,3238.272306,3416.837925,3306.955492,3291.693949,3325.907787,3322.443885,3425.78322,3338.828573,"LMGP06050009","M-H","C25H47O12P",38.6,-2.845151466,"PI(16:1(9Z)/0:0)"]
["9.47_345.1313m/z",345.1313082,9.469533333,"neg",77.68115641,63.45907961,86.06399174,68.85449802,63.60202057,57.97471091,81.41808233,65.90889908,70.0260673,72.26335436,68.21744219,88.97349195,76.07381173,65.19611458,71.96138841,65.0507334,75.53677244,99.33573245,79.85561298,98.83723131,68.84544028,57.53352221,92.16016397,109.0531514,80.13413658,77.14067594,69.00275681,74.85328164,72.87056564,78.52979164,74.15113283,72.8199917,"HMDB0006488","2M-H","C7H11NO4",38.5,2.79924187,"N-Acetyl-L-glutamate 5-semialdehyde"]
["2.39_575.1731m/z",575.1730915,2.38905,"pos",0.892763926,4.635623193,13.73286545,7.212677652,10.86947812,3.413797526,13.11003491,7.424636384,1.72484275,0.656026815,7.031125034,4.099237991,10.70370925,0.901470178,4.179663686,4.998241473,9.760979413,9.282311162,3.629018955,6.929707198,7.21062638,10.0677155,13.13592933,3.695823967,3.677338893,3.421317355,4.523733285,6.158524243,7.26961016,5.276443544,4.545508919,4.127378378,"HMDB0029051","2M+K","C12H16N2O5",38.5,-3.56163274,"Serinyl-Tyrosine"]
["5.47_257.1019m/z",257.1018778,5.469583333,"pos",9.00770864,9.896168286,18.57967049,13.37800573,17.66197852,13.71640424,17.48922874,12.83297156,14.55657993,7.114461867,7.874639923,9.284533074,12.28662782,7.783843723,6.81108357,9.04442761,10.08177369,14.03613976,9.618220754,12.19590994,9.94680065,10.87328143,9.738683714,11.15394023,8.611094745,7.747086824,6.303940566,8.23109951,8.098153606,8.615237898,7.912105213,9.80311272,"HMDB0031303","2M+H","C6H8O3",38.5,-0.339167598,"Osmundalactone"]
["13.57_783.5319m/z",783.531866,13.57416667,"neg",93.75333998,108.7759098,71.51581036,83.75478789,108.9007326,110.7657074,66.56158072,87.42921027,62.27392591,100.9436216,89.67637361,90.09469384,98.6262598,94.79663172,97.92275721,85.42858811,54.01381967,71.38661123,79.99783664,85.34674711,79.44153493,65.40782371,70.41882055,80.336359,65.32006618,72.66089583,71.77488542,62.28993606,72.28296243,65.59264998,70.13729205,66.88922505,"HMDB0039019","2M-H","C27H36O2",38.5,-4.994396896,"3-Hydroxy-10'-apo-b,y-carotenal"]
["2.96_501.2548m/z",501.2548124,2.962533333,"neg",8.501622884,10.45568933,13.80280546,9.495219798,8.778844685,11.2516992,14.39687387,9.943170474,9.818944278,3.96584794,9.162741709,10.00650267,7.448459856,6.859736556,7.58187541,10.7680942,4.316582385,9.12280997,5.521758369,2.421133625,6.537609805,4.373643707,6.241738961,4.955147241,8.719433755,8.522606996,7.277696103,8.544794598,7.539118902,7.605851377,8.150490591,7.943622457,"HMDB0060816","2M-H","C17H17NO",38.5,0.120512064,"Didesmethyl doxepin"]
["3.20_460.2179m/z",460.2178979,3.202533333,"pos",4.518461449,5.633352369,4.828320422,3.853417881,0.253177771,5.567645138,5.824683478,3.015482967,9.266285285,1.642347041,3.963723278,1.627753781,1.737002799,1.976420338,3.771216393,2.505280519,2.962304473,1.771196268,3.290010915,2.118601007,3.672879055,3.248908745,1.203993344,1.759788388,3.061136177,4.489448386,2.938602879,3.791167439,3.448405378,1.617577192,1.916322934,2.286588061,"HMDB0000389","2M+NH4","C9H11N5O2",38.4,3.444515403,"2'-Deoxysepiapterin"]
["13.58_851.5155m/z",851.5154959,13.58433333,"neg",15.96455637,17.56995571,13.61678956,16.5309718,21.70806158,17.58309869,8.609299298,16.71652936,8.309170393,20.53810854,19.16255497,21.23692218,17.17985405,16.39853043,15.74228152,18.42429668,5.428156892,8.099947118,13.59346895,10.46430785,8.586942377,9.067872276,9.609614524,11.01354717,12.39588383,12.49895893,13.83568725,10.56686009,14.81447478,9.563852478,6.723146745,13.38822256,"HMDB0013043","2M-H","C23H38O7",38.4,-0.86190757,"Prostaglandin PGE2 1-glyceryl ester"]
["12.09_383.1416m/z",383.1415684,12.0934,"neg",15.94745741,30.29952468,17.29112662,58.53570035,10.87465133,28.21229269,15.4175575,48.97985563,13.04702542,23.16863542,8.860240804,13.33180784,14.48510914,24.04856968,10.16387314,7.627236472,7.718721788,16.63058689,12.89781558,19.94832205,11.30884362,12.22216871,17.834736,22.94780655,25.83289892,27.59290553,26.98809236,25.50232447,23.30482539,30.22055322,30.92540622,30.34067055,"HMDB0029048","2M-H","C6H12N2O5",38.4,-1.036492674,"Serinyl-Serine"]
["2.94_505.2230m/z",505.2229614,2.940683333,"pos",11.17421509,6.879143233,10.25484591,13.54724067,13.05680548,8.807297663,7.794177761,11.93521999,9.485004422,9.99765135,14.91839606,20.29336225,10.3064642,9.770016801,12.73731819,18.37450308,19.58052579,11.53328805,14.56412191,7.71282442,8.726805807,18.36665695,10.48316034,13.85045256,13.88675418,14.67800667,12.39867256,13.29088702,15.92060536,13.26698408,13.82057623,11.35427612,"HMDB0034660","M+H","C30H32O7",38.4,1.748424336,"Heterophyllin"]
["7.82_328.2475m/z",328.2474787,7.8197,"pos",89.47779794,135.5220307,95.84999897,105.8640655,88.44280642,121.3470555,93.72735172,98.53251003,160.0951203,112.3510739,112.0709452,117.7132195,110.7631505,120.8998364,105.0178703,126.5229971,122.5500125,96.97515305,96.78316311,71.22656759,132.3407242,130.9757928,83.77818437,82.91783348,129.9217342,106.4459814,117.0048593,103.4246053,130.0940731,110.2840281,103.3412031,105.8861249,"HMDB0062737","M+H","C18H33NO4",38.4,-2.311123878,"(9E)-10-nitrooctadecenoic Acid"]
["8.79_380.2794m/z",380.2793801,8.792916667,"neg",2.518808755,5.220633675,16.93829884,14.62718874,23.58839644,4.584333005,13.07691038,14.96530286,6.169599891,1.480143023,3.802870399,7.623746425,1.989678378,1.486681996,3.288106014,8.784954925,11.00917418,30.46026966,2.492488137,19.14566372,40.24251198,13.12119139,34.58453508,1.815974586,13.41966382,12.1789185,13.17019233,12.24420797,15.08397837,14.78600188,15.2077518,15.61186736,"LMFA03010074","M-H","C22H39NO4",38.4,-3.284081334,"PGF2alpha dimethyl amide"]
["5.37_404.2637m/z",404.2636897,5.365033333,"pos",26.29289319,28.60638029,24.50819665,34.17997267,27.6966599,25.70355699,16.85688712,31.14819885,24.59768969,21.85885466,18.28637171,24.55775034,16.9043886,21.7909742,16.34930136,23.97778152,11.53388527,12.41622159,15.42614483,12.20299979,9.223933299,10.7703477,8.916670635,11.31846949,15.97873382,16.20750621,13.31179146,14.83316521,20.80395755,16.20142361,18.48313056,14.94528234,"HMDB0012503","M+NH4","C20H34O7",38.3,-1.525620365,"10,11-dihydro-20-trihydroxy-leukotriene B4"]
["11.50_279.2326m/z",279.2326045,11.50293333,"neg",5.865063159,30.45360588,15.7553985,21.02481861,29.5352318,44.84260237,19.93901909,18.20964263,32.8792889,15.26921382,24.83757207,50.40393404,26.24594688,23.6831727,27.9007678,17.9154872,59.47278995,19.87456922,24.54997139,6.051605508,83.34694524,35.4598796,12.56873522,25.29916284,20.97092989,22.27667809,21.26317617,17.73474798,30.84016873,13.17206606,16.19741758,28.02179433,"HMDB0030957","2M-H","C9H16O",38.3,-1.246650407,"(3Z,6Z)-3,6-Nonadien-1-ol"]
["14.94_608.5006n",631.4898301,14.94498333,"pos",4762.80327,4286.200039,2855.317639,3896.485149,3880.647855,4668.625681,3265.356931,4558.96986,3499.089994,3298.705015,2517.293544,3030.107423,2882.937322,3318.885917,3518.338385,3688.306568,1668.242802,2854.667193,3250.563099,2467.719262,2038.80271,2356.582161,2922.948643,3133.969854,1550.002402,3134.045946,3065.358844,2231.754792,2100.251798,1842.792906,3118.590922,2514.936695,"HMDB0035900","M+Na, M+K, M+NH4","C37H68O6",38.3,-1.611311882,"Muricatenol"]
["11.14_454.2773m/z",454.2773312,11.14358333,"pos",7.410950318,5.484549529,6.610137407,1.328018309,0.415634557,6.838681222,6.899232697,2.703010723,45.83540428,4.143783411,1.990523589,35.98360471,19.67635536,3.888884213,0.401424067,33.88594638,21.26203236,3.560690366,4.177495969,9.609001997,1.623216833,11.79035774,2.732610486,3.490339147,90.46227652,91.84317092,86.06077129,90.51318744,89.87168714,85.86480408,80.14235003,77.80206271,"LMSP01080063","M+Na","C22H41NO7",38.3,-0.44549413,"Sphingofungin C"]
["12.59_673.3405m/z",673.3404904,12.58838333,"neg",22.0400456,15.31384512,22.73101227,13.18737019,23.44405308,20.0986373,22.96621588,15.4467137,10.99936246,22.8815882,19.34503186,13.16055475,18.54535484,27.54791048,19.6857235,9.950838665,20.76719434,33.37041712,21.61424312,31.70825031,8.677815488,24.62371096,33.89873655,24.68369426,12.81450972,18.93363325,14.19224899,17.98080414,17.8326687,13.92207813,13.23248891,14.54498452,"HMDB0005768","2M-H","C15H23N5O4",38.2,-3.324168102,"Kyotorphin"]
["14.53_757.5609n",780.5501493,14.53375,"pos",13421.43786,7080.796378,4235.723347,3123.316073,4266.235207,6783.66953,4158.122849,3226.485964,14086.31877,4708.070094,6314.062705,5351.637353,4827.352751,4855.249852,6059.735319,6000.443167,9318.434021,11463.16974,6382.671883,13199.2175,5906.117947,10500.40324,11420.64545,6253.92683,4581.961977,5812.734046,7077.809949,5241.139783,5376.65156,4919.9338,6658.821636,5736.648775,"HMDB0007880","M+Na, M+K, M+H","C42H80NO8P",38.2,-1.618999717,"PC(14:0/20:2(11Z,14Z))"]
["4.54_504.2799m/z",504.2799141,4.5401,"pos",2.275876854,2.919509879,7.141935865,4.583711992,6.787872734,3.089268668,6.753996432,6.594545343,4.574509581,5.97078578,3.052845269,3.489057823,5.842734586,6.702504902,4.399411403,3.222490449,8.179189176,7.189275974,9.655317537,5.481253758,4.037545139,4.386021315,4.915431299,3.867441078,3.717486503,3.635661457,5.119116935,5.961732941,6.342687684,3.986671693,3.708765337,4.915906674,"HMDB0028805","2M+NH4","C10H17N3O4",38.2,4.681760859,"Glutaminyl-Proline"]
["1.60_273.0940m/z",273.0940376,1.604683333,"pos",0.984501216,1.207960491,3.014596033,1.39232614,2.852455693,1.620667976,1.680071066,1.250470442,0.727812006,6.180806237,1.391623429,1.189051844,4.642341367,5.880263421,1.920496789,1.770306286,5.030871611,7.533692254,6.276538612,6.585333124,2.840984615,5.442784065,7.925779509,7.082895832,2.939253515,3.683110933,2.692157193,3.294002974,2.65530002,2.938909513,2.187085644,3.384443613,"HMDB0032353","M+Na","C10H18O7",38.2,-1.743087558,"Isopropyl citrate"]
["9.22_475.1898m/z",475.1898308,9.217883333,"neg",6.725342211,0.655923082,4.775412816,4.76378577,5.732655859,0.633657577,3.882108781,5.908322701,0.736315792,4.447046364,5.32371348,6.184867084,9.457987333,5.399693271,5.5304453,6.790269931,10.15356021,7.965977099,10.81492035,7.534439285,7.088644531,8.139087348,10.32085647,11.22686891,5.330904286,6.449208443,7.089366556,7.458266235,8.281467852,6.075302166,6.998334707,5.181581695,"HMDB0062295","2M-H","C8H18N2O4S",38.2,-0.732584606,"15(R)-hydroperoxy-EPE"]
["0.91_160.0619m/z",160.0618868,0.91365,"neg",34.08900744,30.31164065,40.75016015,20.12565002,28.03024624,20.63525318,25.79177847,25.99945853,8.449523503,15.93309995,9.4906742,35.08119419,24.55835953,19.57582825,9.287226183,27.8892131,5.509141793,12.83064007,15.94328529,13.36827857,24.11491103,6.641931448,19.12618526,23.04412938,15.78730639,14.1927312,28.15710817,22.31907876,15.62915799,21.42940355,16.89607904,23.4698878,"HMDB0000162","M+FA-H","C5H9NO2",38.1,3.089070343,"L-Proline"]
["0.67_805.1822m/z",805.1822464,0.666216667,"pos",4.467492736,3.363761235,27.04229008,13.20829177,12.73166238,5.055107637,27.30425084,9.547878177,57.38538458,23.04793793,17.44902312,1.798630001,28.91119409,9.271542633,22.32449896,12.47398084,32.89203843,31.34417354,22.57095419,9.721686786,77.92907245,27.12995157,13.94247955,18.32974512,24.84293731,18.46261578,49.32174948,28.00393491,20.0122057,30.55548203,17.14716845,37.36844863,"HMDB0000912","2M+K","C14H17N5O8",38.1,4.781047627,"Succinyladenosine"]
["12.23_829.6543m/z",829.6542862,12.2324,"neg",36.12943057,22.18598794,5.441429216,12.78521818,22.56780183,10.54393201,6.792105304,10.53722302,40.01367175,12.65543116,22.27390021,16.93010752,5.688280045,8.00617971,26.0007804,17.48733225,4.912752585,17.97917269,3.267023087,7.54917794,8.270888161,3.704169241,15.47173687,0.868321027,16.77940243,25.94172913,15.31105848,16.29212314,26.67976576,14.24203222,25.6034975,7.467924909,"HMDB0013336","2M-H","C23H45NO5",38.1,2.426395447,"3-Hydroxyhexadecanoylcarnitine"]
["0.63_639.1423m/z",639.1422974,0.625116667,"pos",17.7615455,25.30873877,25.70681504,26.81712345,19.12783065,26.20021291,34.95818737,20.887208,31.28953834,18.17869315,26.53522967,27.01203742,21.99674923,11.51026099,28.9102497,20.06100226,26.82970923,30.6662891,18.4219971,25.00066952,33.19823406,20.29947442,24.48538175,24.62025419,30.58998283,22.45424152,24.10518734,27.8415327,32.54567102,28.62942332,25.15919432,20.55921055,"HMDB0032294","2M+H","C8H18NO10P",38.1,2.125154708,"N-Gluconyl ethanolamine phosphate"]
["3.38_626.2790m/z",626.2790396,3.3801,"pos",11.48414502,4.032745993,24.94164736,21.75626296,18.68059661,5.433794887,22.24641062,22.11273584,3.688553644,7.088606401,22.01783488,25.73508945,17.17798782,5.211953377,23.14729179,33.63415115,39.22906793,33.14630608,45.60175172,23.54049967,25.96428085,32.59734875,22.31857387,35.72840939,19.50952558,16.39869708,16.33435792,18.58659271,22.45768567,14.64237934,12.74520886,12.62265386,"HMDB0060144","M+Na","C29H41N5O9",38.1,-1.009531445,"Neocasomorphin (1-5)"]
["0.92_189.0392m/z",189.0391667,0.917966667,"pos",2.015689902,1.887939198,8.028816299,4.585832551,4.049540164,2.810014431,8.575673936,4.168392444,5.023356447,7.313204131,6.566411934,2.240750793,4.449165792,8.007546606,7.395005396,3.665489688,8.808185163,7.002737144,8.180491454,4.874673439,10.25318236,9.855736031,7.632403342,8.251917946,6.700718945,5.998183115,5.736740293,5.937650572,8.464059842,8.12021884,7.298447721,7.467612181,"HMDB0000379","M+H-H2O","C7H10O7",38,-0.959417833,"2-Methylcitric acid"]
["8.78_517.2015m/z",517.2015207,8.78225,"neg",8.771380588,9.404209555,12.98356923,10.05445368,13.33749151,8.392789356,12.75152539,9.961310455,13.34769488,9.037847355,9.599040006,14.71629677,6.113047763,9.973889818,9.94432677,13.90321834,9.206659384,3.763169454,13.86346107,2.493365129,13.51178524,4.041562437,3.478954044,9.616504383,8.522892159,7.173951612,9.426375365,8.480231544,9.896171035,10.09134878,11.80912089,6.589642595,"HMDB0013134","2M-H","C11H17NO6",38,-4.587667218,"Fumarycarnitine"]
["1.74_202.0443m/z",202.0443426,1.7402,"pos",2204.590536,2010.473723,2516.450161,2032.464856,1941.529821,1960.965975,2446.417802,1943.513372,2104.502707,2001.253196,2099.090956,1973.597843,2362.076815,2032.862337,2065.630762,2025.013842,2793.67531,2499.118926,2346.543376,2680.757892,2410.608392,2736.290975,2352.130873,2197.466976,2202.324251,2200.107245,2156.408561,2250.184897,2589.10156,2648.534052,2415.149123,2411.913223,"HMDB0014868","M+H","C10H7N3S",38,4.964141954,"Thiabendazole"]
["12.19_521.1630m/z",521.1629575,12.19006667,"neg",12.31181367,4.974274686,15.38409056,14.34940336,15.48782981,10.00037145,17.14217502,13.53539089,10.17824743,7.90237455,12.7105002,13.89151287,14.17130637,21.16874154,15.19672615,15.10068959,11.16252882,14.60965273,14.35651404,10.70700981,8.797671771,10.09193277,19.00218614,13.67824164,12.72504478,10.87001358,8.384965859,16.90809112,8.046417296,13.83893455,14.08559318,10.58467428,"HMDB0030277","2M-H","C10H15NO7",38,1.0155987,"Dihydromaleimide beta-D-glucoside"]
["3.81_366.1754m/z",366.1753682,3.814783333,"pos",22.82280001,11.24755107,7.659213061,12.21729236,5.769690109,10.54194459,6.812398467,11.21141146,7.216078847,5.482529693,6.993329135,24.77538252,11.0356624,5.576264094,8.068386939,26.13426754,10.53344546,19.75687924,15.3791576,18.8456282,11.11581465,11.09439906,19.31227206,15.69304216,8.664425396,9.467969705,6.92974105,8.64658853,10.34640588,8.765832317,8.006482443,9.283244965,"HMDB0037155","2M+NH4","C8H14O2S",38,-3.902673779,"4,4'-Thiobis-2-butanone"]
["10.12_418.3518m/z",418.351786,10.12018333,"pos",1.742383244,9.378186093,2.713414852,4.958039946,6.951073536,10.26029395,3.879809843,3.825862183,11.25084152,8.890458841,9.149615631,11.25411958,5.936644471,10.972613,9.602579667,9.288811171,23.69821545,10.65697212,8.171068853,22.59410543,11.51390817,20.69180424,9.08688716,8.064079541,156.9396739,165.1399414,149.7849313,157.94153,148.7169811,141.9228454,138.8861996,136.1672109,"HMDB0092903","M+NH4","C23H44O5",38,-2.28320634,"DG(8:0/12:0/0:0)"]
["2.51_523.2550m/z",523.2550321,2.507566667,"neg",76.93131813,18.33716886,7.143348825,38.6562379,13.03048776,16.84770077,4.547603672,39.49618969,8.518589687,45.24993103,16.93450903,47.33823776,11.40313794,43.84845882,17.28408807,47.85497113,9.079966415,50.21382435,30.84100128,38.52019318,5.947461319,11.22260447,47.7537564,27.63987784,40.41186225,39.31656941,37.11252556,38.55493423,36.9902685,37.73541648,39.33087405,40.77992627,"HMDB0011177","2M-H","C14H18N2O3",37.9,-2.243880147,"L-phenylalanyl-L-proline"]
["2.46_459.2451m/z",459.2450891,2.464733333,"neg",7.483009492,10.64582774,15.80353712,8.731749314,6.96792906,11.40537717,18.80332879,10.6657935,15.94113022,5.392567516,7.033761692,7.627729895,7.161830118,5.454047113,6.745984751,8.780485995,7.268333607,7.120481268,3.40646563,5.200573082,12.50110542,7.037979061,6.481266894,5.784763107,8.526728084,7.140652396,6.710410323,9.69835718,6.366409302,9.363381495,8.206224813,6.210519991,"HMDB0028876","2M-H","C10H18N2O4",37.9,-2.061003308,"Hydroxyprolyl-Valine"]
["8.90_673.3691m/z",673.3690769,8.899233333,"neg",27.48335939,33.86816683,40.13561418,41.19172193,13.60167404,44.9014142,34.01632881,45.78650938,34.91266568,58.83728319,30.3341287,37.55414883,43.58961663,58.59741835,33.75903303,39.98183844,40.19636709,26.07514632,17.08385292,22.9914674,59.24222723,37.69057662,26.36791467,19.48719189,28.93587008,25.72127077,36.25834626,36.36903663,26.70080438,23.25344077,26.54929992,24.79508593,"HMDB0029325","2M-H","C18H27NO5",37.9,-2.213358405,"3,6-Ditigloyloxytropan-7-ol"]
["8.03_239.1273m/z",239.1273196,8.027783333,"pos",1.608766279,0.936079279,2.341685753,3.704298955,0,1.225318132,3.132975799,3.117008529,3.72521295,2.552274918,0,1.725845404,3.844828985,3.359883672,0.653555782,2.157153152,1.545366023,0.632524628,2.064649467,2.893861541,1.953293562,0.938342452,1.762873622,1.911258176,2.851419043,2.103962024,2.461165855,2.282003645,2.985786654,3.356384796,2.301688228,2.704508848,"HMDB0031849","2M+Na","C6H8N2",37.9,2.787171626,"2-Ethylpyrazine"]
["4.04_273.0431m/z",273.0431409,4.044816667,"neg",0,0,0,0.178963355,0,0,0,0,1.647372601,0.484612075,1.71475037,1.302474023,4.083247275,0.136541859,2.787438379,2.139573863,1.826860861,11.61547067,4.038361304,6.574564006,3.428190623,2.249684232,9.455264214,4.201467297,1.390022077,0.963559528,1.529423121,1.41978517,1.680694565,1.451282042,1.197214445,1.380319528,"HMDB0059981","M-H","C11H14O6S",37.9,-2.524361574,"4-Hydroxy-5-(phenyl)-valeric acid-O-sulphate"]
["10.55_617.2664m/z",617.2663908,10.54566667,"pos",24.36909863,90.88558327,72.47288969,50.69135734,51.85462828,95.19152931,70.040773,47.97086802,146.1985111,124.510435,53.04356901,49.4701068,112.8901724,135.4259124,57.53832336,56.98678614,348.3796317,94.94490578,152.8779797,92.7428792,463.8000031,335.156737,88.43272816,140.575742,105.9041751,108.3845898,114.0157364,119.2714536,119.1371339,118.3084697,112.5017918,116.1381994,"HMDB0000552","2M+K","C13H23NO6",37.8,-3.18545403,"3-Methylglutarylcarnitine"]
["7.84_331.2391m/z",331.2390686,7.842783333,"neg",3.396906495,2.259615151,1.836743017,3.285725241,6.315417587,3.103435555,2.078496849,3.114713385,8.70162647,0,6.476064082,6.064594545,8.25762992,0.774310322,5.385656797,5.050043072,16.04897095,18.89765366,10.30852719,8.624308572,10.81055609,17.19560422,22.33020399,9.185159647,5.00627478,4.649729846,5.276621404,6.942282433,6.201590907,2.904712117,5.894972323,4.582140024,"HMDB0015145","2M-H","C10H16NO+",37.8,-0.100118585,"Edrophonium"]
["2.98_336.1674m/z",336.1674437,2.982866667,"pos",0.164145707,0.828586706,6.720772409,1.367465583,2.805583246,0.878138145,6.43102629,1.338240171,4.214353853,1.117313228,4.044937945,1.264699772,3.995487152,0.998815109,3.998122461,1.923379309,1.469629859,0.871046821,0.718004767,0,5.936865619,2.211005811,1.343042192,1.399784289,2.700300539,3.24927709,3.224130782,2.569715704,2.078804568,2.530608309,3.071454154,3.267100603,"HMDB0028742","M+NH4","C15H18N4O4",37.8,2.555739799,"Asparaginyl-Tryptophan"]
["0.65_303.1439n",304.1505717,0.6461,"pos",488.6660536,363.4634153,369.606855,348.165957,302.3201317,367.8032549,344.5797912,340.3066276,456.4057455,292.625188,295.0336112,340.6872023,343.6160194,288.7758556,315.348102,326.1918654,389.488022,406.2105798,334.0907896,459.5652625,428.2779336,399.2727161,367.5723291,330.4115771,432.5544947,362.2546498,351.260286,410.3038332,413.6986496,436.243298,394.8717033,407.4770204,"HMDB0039423","M+H-H2O, M+H","C12H21N3O6",37.8,2.954896732,"N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine"]
["10.17_344.1131m/z",344.1131223,10.17048333,"pos",5.778040317,5.022497707,5.463998692,6.805035938,6.583864414,4.643905032,6.408494116,7.64510175,1.522352795,2.667247222,3.086259701,3.259268666,2.792629615,1.80897119,3.836277087,1.837397771,1.638234195,0.918359736,2.368429791,0.329813485,1.028673891,0.589542422,1.029842668,3.313924293,3.784175082,3.203257027,2.066105245,3.090440472,2.804901791,2.965310188,2.742705447,1.264587701,"HMDB0062655","2M+NH4","C9H7O3-",37.8,0.792971596,"Cis-2-coumarate"]
["6.80_221.0826m/z",221.0826152,6.804183333,"neg",21.44268506,16.85134938,11.96626339,11.55210272,14.24209495,10.63062712,16.11012001,11.55555571,22.94796727,11.61316865,7.878363466,17.35479543,16.81613208,8.782190649,9.854576902,12.49112206,19.22033518,13.23369731,12.53710046,19.92378778,15.24078596,16.01686204,17.90396674,27.63775261,15.59965078,19.37225171,13.41663582,13.74588636,18.14259818,13.68370886,20.16683676,10.60625187,"HMDB0002056","M-H","C12H14O4",37.7,3.073993259,"Monoisobutyl phthalic acid"]
["4.26_473.1980m/z",473.1979832,4.263066667,"pos",2.059300045,5.693278573,2.069310905,4.643755054,4.634145247,5.584167529,2.260635888,4.779994639,2.15539233,3.054303731,2.995918974,1.560634896,2.441011215,3.114355103,2.96431086,1.881837602,0.000349489,0,0.567913937,0,0.085756098,0.451078929,0,0.432039367,1.731165354,1.976785255,2.22622942,1.780352876,2.669529391,1.001970198,1.695708628,2.475374287,"HMDB0014704","2M+H","C15H12N2O",37.7,1.65346357,"Carbamazepine"]
["1.52_201.1246m/z",201.1245693,1.52095,"neg",3.711567721,7.097626658,3.188723882,2.308632923,2.439540161,7.462069582,3.131738427,2.900991305,4.732530496,0.583338341,1.479047079,1.050690937,1.222062274,0,1.65447608,1.215145421,0,0,0,0,1.405010101,0,0,0,1.860821732,1.843078401,1.438656758,1.13143019,1.324394226,0.772439288,1.297021718,1.801479135,"HMDB0028690","M-H","C9H18N2O3",37.7,0.511101966,"Alanyl-Isoleucine"]
["3.00_372.1573m/z",372.1573379,2.995033333,"neg",7.399688839,29.98241645,42.60363187,12.20727685,26.91195555,29.84925727,43.18135089,11.55347718,19.16748746,50.22606186,14.80666433,18.62060591,13.21926083,49.15146098,13.37332106,17.61205212,19.42308918,24.59693073,17.58826153,4.847425207,60.85581764,21.59579434,26.57934432,18.16745799,29.01011193,27.54725612,27.56789777,28.81448461,29.27673481,29.41234188,30.15310519,30.36860519,"HMDB0032383","M+FA-H","C18H21N3O3",37.7,2.578249075,"N1-(2-Methoxy-4-methylbenzyl)-n2-(2-(pyridin-2-yl) ethyl)oxalamide"]
["3.81_687.1411m/z",687.1410869,3.811166667,"neg",27.29673397,10.2837384,7.247279118,14.98584605,28.00933975,10.57648915,6.678770174,8.469758885,9.681525787,16.88930417,18.57314246,7.566615334,17.30617381,24.36043337,17.66129657,8.415576357,1.073857372,14.65746183,10.78890585,22.84162853,4.997282361,0,15.91907514,14.91056899,13.95205772,13.3456929,15.61596727,10.14303729,10.02361422,8.59239168,10.03132356,10.91161443,"HMDB0039287","2M-H","C14H16O10",37.7,-0.479727811,"Theogallin"]
["11.76_243.2317m/z",243.2317372,11.75836667,"pos",6.950227477,10.81714556,9.75902082,10.2308351,10.70198622,11.34457099,7.53694871,11.91332385,10.61651738,11.70023441,12.22708653,9.143506872,9.608024582,11.74804562,9.135006031,7.50927935,13.82021964,12.18120694,11.41252543,12.36005327,13.38258755,14.69657706,12.29279513,10.73689309,8.932191538,12.680286,9.299174399,9.171410383,15.39033655,13.0471139,11.45890158,11.90368501,"HMDB0000826","M+H","C15H30O2",37.6,-0.493142139,"Pentadecanoic acid"]
["6.47_381.2243m/z",381.2242636,6.466133333,"pos",21.50303654,9.760890952,12.45445307,21.56795225,15.07989478,14.4221587,9.88406099,22.9988488,9.687678807,14.78883236,17.71165174,22.81438371,10.28075554,15.01353398,16.78810629,17.80988163,23.89215959,10.92004261,16.43956293,10.37469363,24.7596846,23.27604349,10.84485836,22.79847599,16.14899751,24.5061124,17.03741567,21.98315073,20.66534904,27.63076655,20.8201594,22.66758327,"HMDB0012240","M+NH4","C17H25N5O4",37.6,-0.595491118,"Isopentenyladenine-9-N-glucoside"]
["2.24_655.3309m/z",655.3308561,2.237916667,"neg",8.157908113,2.82967684,13.52555295,8.309237643,12.74860315,2.815523865,11.88661944,8.715090376,0.796043873,3.184417964,2.320895205,3.132411654,3.652044618,1.883824758,2.079757356,2.993646139,0,9.778069443,0.506462902,14.15818928,0,0.51679412,12.00626402,0.235636406,4.349318568,3.596095838,3.13147262,3.566221039,4.195639112,1.860026146,3.994894781,4.513846758,"HMDB0029524","2M-H","C20H24O4",37.6,4.896973222,"5-Hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenyl-3-heptanone"]
["6.55_363.1773m/z",363.1772673,6.552333333,"pos",16.28348117,10.43052389,8.666761804,18.30399584,11.20270189,11.45075021,10.94242147,19.0837722,7.111325832,15.98952448,10.97002423,12.91011428,9.046684539,16.9756772,12.64118003,11.46721942,7.195064788,7.563672594,8.310331018,9.462520439,5.445078491,7.277545375,8.332266967,13.30925844,11.58940806,9.534596708,9.096097174,11.30494713,8.674701232,11.7615167,11.50271055,12.27522669,"HMDB0032380","2M+K","C8H18OS",37.6,-4.821265295,"(S1)-Methoxy-3-heptanethiol"]
["8.67_417.2261m/z",417.2261228,8.66525,"neg",1.415674669,38.83310564,23.61311986,5.141827581,1.003513416,40.90344266,23.13963754,5.195033368,3.631708452,3.559903913,0.588200083,4.670611972,1.449550433,0.564691975,1.047785741,2.405019324,0.624760316,7.647247212,1.271079288,4.736893915,1.8580186,0.771203339,7.526783491,0.449383899,7.373006186,6.810015872,7.282318193,5.203231059,4.864203766,5.665548479,3.98967558,7.62888452,"HMDB0041809","2M-H","C10H15N3O2",37.6,1.304843196,"4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol"]
["10.16_335.1253m/z",335.1252894,10.16008333,"pos",5.546502851,3.14798871,5.131999372,2.059249279,3.780641419,2.453755042,5.162813555,3.050293716,6.212585376,3.974741104,0.820877307,4.689115462,4.161148071,3.482932654,1.768247123,2.722400858,7.018951628,9.330702146,5.108584237,6.015604695,6.985686018,3.7954017,8.877379364,9.213680719,3.204706562,7.169199258,2.640714773,3.550761045,3.822059564,3.902654185,6.122097024,5.619199601,"HMDB0001545","2M+H","C8H9NO3",37.5,4.569285258,"Pyridoxal"]
["2.94_429.2058m/z",429.2057941,2.940683333,"pos",20.71261306,36.12509933,32.30675828,31.52173855,34.46137155,35.19799107,29.79439963,29.89149233,18.67831765,14.04121335,28.26378087,28.86613342,27.47298493,15.10607773,27.55435062,23.31151268,37.9922892,29.93529877,24.8439817,26.91610752,30.46029219,39.17070542,27.25997937,26.2382818,23.24157777,28.19235261,21.98324498,23.97780776,21.10450324,25.7008024,23.89285276,26.0239556,"HMDB0012111","2M+H","C14H14O2",37.5,-0.564373293,"(+)-(1R,2R)-1,2-Diphenylethane-1,2-diol"]
["8.69_337.1048m/z",337.1047756,8.687066667,"pos",18.90225956,18.3085946,25.80484589,16.67225269,19.12904231,16.25626047,24.49277558,16.14110146,19.91866532,16.43787157,18.16374432,26.5885699,24.41055369,19.87029615,17.91126452,13.69422091,31.04307066,28.5453018,26.67288393,27.79248071,26.76208401,26.65613758,27.38644236,40.6929921,15.48752478,18.11523813,17.24277982,18.81934219,17.29747086,20.48368941,21.69569815,16.60686528,"HMDB0030567","M+Na","C18H18O5",37.5,0.417715033,"(-)-3,4,9-Trimethoxypterocarpan"]
["2.12_257.0466m/z",257.0466336,2.118083333,"neg",10.43257195,9.466370382,33.3795503,27.65298743,11.3612825,9.797193681,35.59366001,27.5843084,2.095097816,9.697990583,2.057815286,10.84571341,15.02689343,10.39675936,1.662945331,10.22714432,25.03752722,8.737877275,12.82788884,4.309514427,16.02207589,21.23862287,10.88607493,15.68470174,11.48435132,11.42978288,12.21635636,13.1248238,12.25091056,11.70580882,12.39832604,12.55379566,"HMDB0030831","M-H","C14H10O5",37.5,4.210641525,"Alternariol"]
["14.05_605.4594m/z",605.4593767,14.04571667,"pos",128.6142532,149.6262297,89.40505166,101.7592632,146.3513112,163.48054,83.6042251,99.08854287,175.3604361,105.4017138,144.1730213,137.9919816,112.3596425,107.8414812,143.2555028,132.743653,109.1700315,75.68016052,95.05863673,89.92294834,132.5590051,106.0840437,93.27729383,102.006897,32.24534367,84.31580204,128.623994,59.77532206,81.82344201,103.0440502,113.5354221,116.2613842,"HMDB0036709","2M+H","C20H30O2",37.5,4.863724666,"Yucalexin B14"]
["12.63_671.4038m/z",671.4037529,12.6297,"pos",1063.916739,848.063625,521.6648229,785.6903475,981.4429007,824.318467,513.459588,728.0881969,653.3006609,634.8764793,1002.396334,1061.850697,714.45249,645.5442483,874.1317518,1020.55753,484.9468455,547.2799241,607.1700203,569.447129,453.7733393,468.701384,530.592001,644.6601363,558.3839466,604.7222654,725.6008224,505.9341715,381.531066,409.9155341,653.2780377,653.3837913,"LMGP10010006","M+K","C34H65O8P",37.5,-1.756480819,"PA(17:0/14:1(9Z))"]
["13.20_376.2968m/z",376.2968114,13.19523333,"pos",27.82915334,36.53899848,43.82947712,51.77254389,12.16591985,49.04340185,68.67512157,32.69532417,36.76879038,43.02444348,41.84341233,32.01268519,39.2736011,43.67398622,61.90992001,27.54460696,37.5801579,22.28437153,75.53077079,44.36652483,59.2007909,68.76130236,49.20467545,50.39205392,26.67782523,41.00930077,58.5302596,49.02482061,56.73625518,87.27770753,63.21946306,68.34317739,"HMDB0014523","2M+NH4","C11H17NO",37.4,2.672824957,"Mexiletine"]
["9.96_667.3456m/z",667.3455866,9.95935,"neg",13.03607774,28.38148449,21.97095936,11.81232291,17.4566954,26.74143446,24.17600148,10.9579687,40.69739142,7.124100918,26.51073722,30.18412449,15.66023981,10.77305201,32.96892808,22.71925824,9.019123546,6.025704363,39.93434055,15.44137086,56.86999338,16.37500839,1.094072577,50.7257689,17.4856134,28.50556958,23.29128162,26.66307356,24.54334059,24.09936058,23.93708819,25.42880537,"HMDB0032699","2M-H","C19H26O5",37.4,-4.765163098,"3-(2-Methylpropanoyloxy)-8-(2-methylbutanoyloxy)-9,10-epoxy-p-mentha-1,3,5-triene"]
["11.79_401.2893m/z",401.2893108,11.79125,"neg",4.599055942,10.29527971,4.835218268,4.791491733,13.5750423,10.34709685,4.516189448,4.29668614,13.38470446,5.198334939,3.471360574,7.403217117,3.200248107,5.95988163,4.507579643,5.49435935,4.206697952,1.71286283,3.045574915,2.201757383,6.980619102,3.619289174,0,1.865429745,7.337657078,5.473341505,5.44831733,5.075081029,5.587646077,3.77054174,5.206355372,4.234471964,"HMDB0059736","2M-H","C11H21O3-",37.4,-3.857424015,"2-Hydroxyundecanoate"]
["4.04_308.0120m/z",308.0119901,4.044816667,"neg",0.369380736,0,0,0.366833034,0,0,0,0.535130463,5.049934807,2.5574951,6.30564383,5.257965113,8.243222106,3.18119182,6.551378196,5.517995622,6.204801907,22.82474061,10.65765606,16.35225411,7.999753666,5.068983231,22.10808148,11.03001122,3.698516715,3.541010624,3.475686947,4.627816737,4.261108458,2.953206013,3.970371243,4.060229423,"HMDB0060641","M-H","C8H12N3O6PS",37.4,2.665791479,"Lamivudine-monophosphate"]
["11.10_496.3386m/z",496.3386179,11.1031,"pos",26.875185,48.33979938,66.35689855,33.77106759,37.90823724,51.11374209,62.89779478,35.06200107,41.34142731,66.58854958,39.89234923,26.38463269,71.8236233,57.52141535,34.32383744,27.78287693,94.68183026,78.4558052,72.10199777,71.57965155,102.6006523,85.87502434,79.23228062,68.74309335,42.83113058,50.41821645,53.4477859,54.27438135,48.6429013,50.98633133,47.18251802,45.51905294,"HMDB0006321","M+Na","C29H47NO4",37.3,-2.348761833,"Docosa-4,7,10,13,16-pentaenoyl carnitine"]
["2.08_340.1969m/z",340.1969153,2.083616667,"pos",3.841110897,3.978972787,15.07379774,9.121783718,7.51392138,4.879933482,14.04489288,8.132804181,5.0849031,9.136353027,4.706090956,2.534783198,11.74279043,7.791750852,5.396045203,4.046316982,13.40965421,16.87362461,13.20918896,14.8548141,10.94649569,14.07573744,14.64725195,7.848793866,8.496892515,8.392604952,6.484216471,8.114658663,8.707199274,6.537275637,6.225485589,5.881898622,"HMDB0031694","M+NH4","C14H26O8",37.3,0.999374262,"Butyl (S)-3-hydroxybutyrate glucoside"]
["8.32_395.2419m/z",395.2419259,8.3186,"neg",15.50774638,6.821930511,75.58057585,54.06497207,4.477016115,7.714753065,73.97667284,57.2372196,12.73875782,10.57276632,1.945806366,4.030488934,2.065211936,9.313260506,1.822150172,4.779175167,13.57345579,105.7822501,5.9279487,145.6631446,63.03852661,11.90324882,98.33992338,7.1079221,59.37646481,58.7550781,54.87936957,56.13277555,59.25749673,57.8121648,55.83950114,60.78222347,"HMDB0039883","M-H2O-H","C22H38O7",37.3,-4.795368112,"Ascorbyl palmitate"]
["0.62_775.7434m/z",775.7434279,0.615666667,"neg",76.47055622,44.46036123,54.85037457,43.74718731,31.21296924,42.0279476,50.20384299,54.80446853,57.58314953,68.02031474,65.43563212,55.35053835,51.42403584,59.26256495,67.48303667,64.2349502,51.10651427,67.52801052,62.89382815,53.99415847,33.92484285,42.5654925,69.74333077,53.25741022,56.80499109,55.16800583,42.60940591,60.52938152,47.07334633,37.68330981,46.11500784,63.35965135,"HMDB0003036","M+FA-H","C15H12I3NO7S",37.2,-2.246630914,"Triiodothyronine sulfate"]
["10.48_348.1315m/z",348.1314966,10.48415,"pos",1.111487499,2.644546659,4.061303891,3.567518387,8.463948274,2.304747332,6.095688651,1.020846119,4.326724416,3.371822112,8.807458997,9.43946554,5.008961057,3.101161263,6.864711186,8.644600407,3.858138705,2.983302439,7.738823978,0,5.408308013,4.348124258,1.972007895,5.740609608,7.511460886,6.443979235,6.560787209,6.722392807,6.736636129,6.712409155,5.399972228,6.262690233,"HMDB0028963","M+K","C15H23N3O4",37.2,-1.674516811,"Lysyl-Tyrosine"]
["2.28_421.1638m/z",421.1638027,2.2814,"neg",170.3813719,100.1143845,190.2046085,151.4737087,122.729981,108.2044895,195.0569586,161.0518907,136.0122275,92.22272619,109.7029168,151.3732202,109.162644,96.38652989,112.827325,149.0114727,112.6739746,151.0765971,99.56304753,131.4763975,138.5224868,116.5520393,152.6084138,95.86843368,128.3155541,130.4840875,128.060787,124.5844367,127.1798991,132.529605,129.361191,133.6051564,"HMDB0030710","M-H","C25H26O6",37.2,-4.404480334,"Cyclomammeisin"]
["5.12_329.1606m/z",329.1605782,5.121766667,"neg",6.454493844,10.72872222,8.53004917,8.040174351,11.99741924,12.28355783,9.19723053,9.136903224,4.401442659,14.97613432,6.470307016,7.408557094,4.992999908,14.37776172,7.868915972,4.293777468,4.618851628,0.400256717,3.811291351,1.745603141,4.344053774,3.578855264,0.992889911,4.543081336,6.464100711,6.780636323,4.787651834,5.418352859,7.874460717,6.781456815,6.272923053,7.310174355,"HMDB0060593","M+FA-H","C15H24O5",37.2,0.005282087,"Alpha-dihydroartemisinin"]
["0.61_769.7095m/z",769.7095497,0.61445,"pos",34.28845843,24.85275766,45.95903756,38.10372569,27.89613851,29.92400464,45.30229781,27.00419822,42.17738059,50.2662955,42.7045423,42.95232095,25.36038208,33.85900434,38.14033223,41.64201154,36.18136888,47.37664153,42.72245768,35.94904166,39.90363654,33.97581625,42.25846216,44.19439952,57.61790427,48.17823322,51.15627609,37.50801196,35.83751942,41.60200103,43.4123937,39.13199583,"HMDB0003036","M+K","C15H12I3NO7S",37.1,-0.650121702,"Triiodothyronine sulfate"]
["10.66_655.2958m/z",655.2958171,10.65965,"neg",3.149116916,9.676425785,5.949046813,4.110453247,4.855986327,10.21008215,8.93161169,4.955103561,6.770325822,7.861867069,5.032971092,3.75835173,11.12407435,5.709540909,7.048403644,3.638360221,10.55603646,9.727174073,7.021839795,9.27023705,10.24837441,8.075594032,5.091163306,7.573533465,7.943962039,6.717695529,11.96422916,5.507697404,6.012473538,4.191135988,8.37590338,5.684202716,"HMDB0029777","2M-H","C16H24O7",37.1,-2.000140296,"Cymorcin monoglucoside"]
["0.92_563.0681m/z",563.0680927,0.924483333,"neg",0,0,21.21666046,1.715971923,4.698088341,0,13.41843567,0.183864915,6.458492177,12.61769517,4.331873817,0,4.036614984,7.636667933,6.615539187,0,13.8467196,10.02469055,3.163537184,15.47648762,9.274354085,8.257933083,9.365436614,6.93230444,7.050969001,4.714503056,6.484915269,6.673171821,5.854062634,6.878570404,3.82074115,8.05272758,"HMDB0034034","2M-H","C12H10O8",37.1,0.415885827,"Bikojic acid"]
["9.57_543.3244m/z",543.3244313,9.56805,"pos",54.22324893,48.2176361,14.51627507,11.99535129,8.384673194,47.14926843,13.97297219,14.80554626,79.04926466,14.35031204,18.86265306,19.70016644,13.77125041,13.20445948,15.12959623,21.90337153,38.27465724,20.94636824,23.48060078,16.76599949,61.44403716,39.13697311,17.75229563,23.18924022,21.65155818,23.76222567,23.22202383,27.19807512,25.7021015,28.94638779,32.89667171,27.31918897,"HMDB0060766","2M+H","C17H21NO2",37.1,4.973224117,"4-Hydroxyatomoxetine"]
["8.09_429.2802m/z",429.280155,8.091266667,"pos",{"v":2.2e-05,"d":"2.20E-05"},1.485102225,0.733758166,0,0.70133117,0.713914181,0.168717101,0.314620351,1.595142183,1.738959854,0.742516867,4.239337303,2.123634921,1.369663558,1.049882286,3.185474688,2.691729979,0,0.918289629,3.816078938,1.148968009,2.669995663,0.802599949,1.416090647,7.60093615,7.722698215,6.59654567,5.096398224,9.895785596,8.404092876,8.991471794,8.764555979,"LMFA08020075","M+NH4","C22H37NO4S",37.1,4.862787201,"N-arachidonoyl taurine"]
["0.60_753.6363m/z",753.6363256,0.604583333,"pos",9.834243645,5.479799099,4.586840008,5.782149447,3.157319206,6.046707862,8.714805698,4.918781957,5.543583823,7.42631011,9.157409094,8.920682865,4.236008733,8.200325248,7.288997093,10.05856507,4.439088411,8.276193199,8.488163041,7.380366019,5.859897788,6.868318109,6.107638982,9.914854724,3.466270321,3.928005678,7.237260043,9.476235778,4.419804661,6.201212636,5.412344011,5.065187422,"HMDB0007442","M+Na","C47H86O5",37,-0.57617718,"DG(20:2(11Z,14Z)/24:1(15Z)/0:0)"]
["11.83_533.3434m/z",533.3434436,11.83201667,"pos",25.68027453,23.33188312,10.54787149,16.31414225,26.92863789,15.34759571,8.582008222,12.44017637,17.98129995,9.695333764,20.8948157,17.69445043,13.92572105,10.03639939,21.59599268,17.17449261,8.53893608,5.340251246,13.46462975,7.696522407,8.28097237,6.430868938,5.433439312,10.39306142,13.41205027,14.77786002,15.69410951,11.17142774,11.185588,11.77407571,11.76892293,14.46031537,"HMDB0030146","2M+H","C19H22O",37,3.825546399,"(3xi,6E)-1,7-Diphenyl-6-hepten-3-ol"]
["3.12_429.2118m/z",429.2118314,3.1186,"pos",3.367054709,1.148102183,3.004683375,5.129356114,7.288337137,1.468728266,2.332170924,4.193603177,4.076901274,9.240863797,11.00894452,23.010172,7.739536267,7.82435144,10.540556,22.87589977,18.53091319,17.77053841,14.49479405,14.18827191,8.941981921,14.96868651,15.62753181,12.88404351,11.09634411,12.21683921,10.94188526,9.732527576,11.45037794,11.26326801,10.90799703,10.80238163,"HMDB0035610","M+H","C21H32O9",37,-0.181300635,"Taraxacolide 1-O-b-D-glucopyranoside"]
["3.80_474.0919m/z",474.0919269,3.803866667,"pos",19.98493199,11.05298034,8.972851711,16.87189308,20.38439059,9.605531126,9.110211889,14.21947688,11.67284428,22.26047914,18.49675949,15.28321743,19.45134072,22.51536712,16.60483025,10.37673197,3.350207803,23.07387874,12.25548703,27.06857487,10.04702619,4.659833168,18.08197167,14.06390653,13.75589489,15.45774222,13.69071982,16.54795208,15.92264764,15.71907896,14.47031834,15.32354713,"HMDB0062528","M+H","C16H19N5O10S",37,-1.294417868,"1-(s-glutathionyl)-2,4-dinitrobenzene"]
["1.63_529.2561m/z",529.2560661,1.630266667,"neg",3.913985247,4.812680114,0.750893343,0.21145444,1.480282544,5.680962329,0,1.105055975,0.855529933,8.663653056,1.953090844,0,10.00519903,9.434188146,1.969076592,0,0,7.427389491,3.049733643,2.485320914,0.612168586,0,6.694476251,4.192815659,3.409913415,3.477092065,3.122749223,4.211675701,4.251253977,2.051378531,2.987386989,2.342152085,"LMGP04050030","M-H","C26H43O9P",37,-2.125485359,"PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"]
["7.55_667.2718m/z",667.2718273,7.554316667,"neg",13.33802805,15.16462517,14.57048216,13.91362255,13.43765844,11.89455556,12.24583341,18.24717086,23.420099,16.49180545,17.78714834,35.10371915,22.14605549,15.79554686,19.90893124,27.47503002,30.80327657,17.61215507,15.44281114,15.49152383,18.07742237,29.17751418,18.99713327,17.24149604,16.18365216,16.59360891,18.15148725,20.61351849,15.76134691,18.22758903,16.76912058,16.42269569,"HMDB0012996","2M-H","C14H26N2O3S2",36.9,3.193750932,"Lipoyllysine"]
["3.00_500.2651m/z",500.2650883,3.003883333,"pos",27.1780619,18.390797,29.96399344,32.62687093,46.1323006,18.42436635,30.44096595,28.8679597,27.6341879,33.78781225,40.62198598,54.62220338,34.26470726,33.52379803,39.02090885,56.17288763,118.7852473,46.82119517,64.02672846,37.21697474,78.61930726,108.3523762,41.34869193,63.1696214,58.98536874,59.57125604,55.02071783,55.86821462,65.61418,62.40107464,62.88596954,56.24128332,"HMDB0029991","M+NH4","C28H34O7",36.9,1.678265016,"Dulciol C"]
["9.47_362.1210m/z",362.1210388,9.469533333,"neg",2.879805428,2.40664069,6.563618954,3.68919149,3.910734666,3.147361878,5.407326072,2.270118799,1.64332385,4.705054184,3.824130934,9.121278866,3.875069255,4.800715608,4.323643787,2.559668215,2.289752892,7.761827621,9.589560051,8.701551081,4.719892979,4.301307138,9.977288956,13.82941389,2.078647606,3.539268102,3.318559929,7.746660523,6.268539414,5.595648215,5.877881786,7.583961584,"HMDB0037839","M+FA-H","C12H19N3O7",36.9,1.690157253,"N-(1-Deoxy-1-fructosyl)histidine"]
["8.90_462.0658m/z",462.0657882,8.899233333,"neg",20.8263561,18.39875562,23.11452393,21.50388381,12.14047711,18.81130777,23.5312344,17.99979996,12.85847925,15.38328701,14.94640287,17.23460891,18.98568933,13.31126571,18.09521511,16.38253267,17.54486091,17.3219465,18.57290616,22.59812318,23.5704892,22.01738661,25.74608184,23.50294757,17.17385921,23.00808478,20.68334725,18.09507139,14.78014048,26.69459366,25.54139478,30.22648916,"HMDB0000536","M-H","C14H18N5O11P",36.8,-2.112779318,"Adenylsuccinic acid"]
["14.45_879.4819m/z",879.4818615,14.45113333,"pos",57.65410796,43.12984034,36.48075435,60.70480541,45.528505,46.22882148,37.33632203,50.58530391,44.39848803,64.26589068,55.08933508,50.17815193,52.93330626,58.03595519,50.63376772,46.41144995,35.30452236,61.94238346,70.52705333,65.0590778,36.97233234,46.39772338,66.6194892,77.66402426,11.29970805,36.67926442,38.51416757,32.11841017,29.11078738,28.82557169,49.03061069,43.7482814,"HMDB0002200","2M+H","C23H37NO5S",36.8,-4.443443514,"Leukotriene E4"]
["11.63_474.1900m/z",474.1900153,11.6301,"neg",151.7132422,153.7661145,90.23403913,119.5705934,125.8118233,164.9091094,93.31849346,125.9376747,164.1890393,186.0592094,177.1882486,176.7327908,170.1305812,189.7632737,190.0390847,184.7866051,215.8547906,230.2748026,177.1950375,243.4357789,218.5716286,218.4024098,221.4122212,154.7412474,539.5091747,549.2622975,554.6480354,557.6204575,528.2390572,540.4370878,539.8998372,508.6649494,"HMDB0015558","M-H","C24H33N3O3S2",36.8,2.015553152,"Pipotiazine"]
["9.15_349.2014m/z",349.2013678,9.146916667,"pos",15.56400179,20.16883759,14.73978905,21.19280366,20.48683839,17.87990901,13.85754265,17.08425048,17.2281483,16.24462132,20.17886769,19.70186096,13.8988583,15.85017217,19.37221576,18.43480471,14.16385276,10.02248169,13.88194679,11.69891072,13.2566406,14.38058242,9.016505326,16.12242844,13.37158411,12.98221435,14.60993239,13.68296042,14.11721245,15.53337507,13.55929867,14.89197064,"HMDB0032010","M+H","C20H28O5",36.8,1.198716775,"Gibberellin A110"]
["9.04_439.1348m/z",439.1347864,9.036733333,"neg",6.621994063,8.985531624,7.603332333,7.201167206,12.53981716,8.182620455,6.815462065,8.337011952,10.95629181,8.603058808,14.74205851,15.89775486,10.02109792,7.874111263,13.86703455,15.61974135,6.563628898,7.209656897,6.638326779,7.324947038,8.564161935,4.987137112,5.95335737,6.25512765,9.200794923,11.10135068,9.393686258,11.42184461,11.52947279,8.196767252,8.589291588,8.017518097,"HMDB0060833","M+FA-H","C18H22N2O8",36.8,-2.618846434,"N-Acetylserotonin glucuronide"]
["3.01_431.0979m/z",431.0978683,3.005533333,"neg",16.6369097,6.611752612,8.741348065,9.361106456,4.45776338,5.012609286,11.77423102,9.311153339,7.364938096,17.88748188,2.775737254,6.987658892,4.793702756,17.3150416,2.921405827,7.090597861,3.237335961,27.53419038,7.670773759,19.34005696,7.796906337,3.53296887,29.87174153,10.23706,8.555552339,7.899356152,8.794898891,8.309629879,8.554760943,9.621450123,10.05158836,8.541245109,"HMDB0029277","M+FA-H","C20H18O8",36.7,-1.300543386,"8-8'-Dehydrodiferulic acid"]
["7.82_228.2682m/z",228.2681733,7.8197,"pos",5.902668449,5.321245925,7.496496568,5.974785131,2.854836965,5.235084614,6.637030273,6.143640481,5.395589146,7.051760552,3.951769995,4.777594569,5.062648532,8.693758158,3.509748777,4.269869212,4.125707435,5.096264235,6.638850732,4.795384859,5.164464503,3.154619942,5.58836314,7.423119724,7.447211992,5.761738399,5.6303092,5.590206606,5.105348481,4.567976817,4.445219404,5.228551037,"HMDB0031082","M+NH4","C15H30",36.7,-1.917939028,"1-Pentadecene"]
["3.06_344.2542m/z",344.2542252,3.05595,"pos",10.98134343,23.95861715,12.5689957,9.973445554,9.907431004,23.53955386,13.30883501,9.583867533,13.11093003,4.346052218,6.211070914,5.152383711,4.763607224,3.919622358,5.707552298,4.693685898,2.24192002,2.003303623,1.847155631,1.32511614,3.432635615,2.549794131,1.717191594,1.928938095,6.979923674,5.7205909,6.512826036,5.303416778,6.059736315,5.017203676,4.264876057,5.525370655,"HMDB0039849","M+H-H2O","C19H37O6-",36.7,-4.153510477,"3-Oxohexadecanoic acid glycerides"]
["13.64_665.4177m/z",665.4176833,13.6385,"neg",33.8450044,13.95320167,10.82363912,30.85614443,19.63949597,13.59830765,10.84936422,31.14396277,36.29170978,23.94500853,30.29870995,57.68443821,25.14826918,23.51341483,31.94014513,51.27398627,15.37149291,14.80506857,18.63822914,24.15917786,7.604100224,21.88103989,24.22600474,19.80377454,29.63335743,25.21196977,28.66769138,29.43271955,24.30667395,24.56599588,27.93721061,25.67286925,"LMGP10010129","M-H","C37H63O8P",36.7,-1.644438365,"PA(14:1(9Z)/20:4(5Z,8Z,11Z,14Z))"]
["15.16_713.4566m/z",713.456643,15.16458333,"neg",12.71587229,10.2712143,5.031863626,6.130760543,11.36268892,8.643195618,3.265375663,4.511514727,6.278294809,11.33678547,6.102725287,5.864569563,6.090145069,9.756583324,4.668870766,3.219154163,5.358619512,6.032784018,4.78761064,5.502612945,2.680750198,4.238827895,2.791819173,5.020930768,5.294247952,3.592422444,4.44686912,5.307816056,5.181762695,4.805513876,2.806649069,2.746630932,"HMDB0015195","2M-H","C22H31NO3",36.6,4.383376218,"Oxybutynin"]
["4.46_341.1581m/z",341.1580677,4.4577,"pos",0.109433522,3.791805098,2.865316094,0.533451392,8.262544979,2.784644645,2.61690977,1.293174527,2.457486674,9.007875039,11.97018111,11.19239603,5.622715166,8.837423426,11.06393282,10.00733191,10.88128618,5.422435921,7.77812392,3.624410821,11.26474617,9.888521565,4.409368177,8.639998261,9.471647899,9.603509273,9.092717916,9.742370458,9.108986813,11.89511256,10.71426089,11.14423199,"HMDB0036157","M+H","C17H24O7",36.6,-4.150726388,"15-Deacetylneosolaniol"]
["10.66_343.1886m/z",343.1886112,10.65863333,"pos",13.05354879,14.74249391,14.75078957,17.73350942,22.68989749,17.16643566,14.34224496,16.76113474,7.798175278,15.98546147,14.67504364,10.67178661,11.34005988,11.69369061,14.38952429,10.06719154,5.670082839,9.946506959,11.787029,10.2057352,7.262795872,9.049498522,6.724617988,8.482084997,14.07828271,13.57936471,9.295010109,15.86697338,11.77904243,16.88421297,11.24852573,11.97897777,"LMFA01050099","M+K","C16H32O5",36.6,1.574398422,"2,15,16-trihydroxy palmitic acid"]
["14.20_385.3460m/z",385.3459611,14.19673333,"pos",59.07844329,90.32098975,51.35136798,42.63356652,60.97669986,85.95490862,73.55531245,47.82588959,59.41058724,84.17868249,57.31361413,44.17892227,71.94955848,82.49990924,63.56609005,56.69870607,52.58560856,33.07779428,57.99717355,25.95586088,61.06559799,45.34700917,38.3922661,75.52652273,29.79834651,48.72359047,54.69945392,42.7876175,41.17419667,49.87947411,60.05396316,48.56994767,"HMDB0000876","M+H","C27H44O",36.5,-1.382512292,"Vitamin D3"]
["0.71_399.0897m/z",399.0897308,0.706833333,"pos",19.7516939,15.66128887,36.5575886,19.47161141,16.39719762,27.5312126,34.61726953,22.50743023,37.8747703,38.37365505,47.66622739,53.09003427,25.97649696,24.20904056,28.90611905,53.06499779,44.72308533,50.68266843,39.19218417,26.69407616,49.23915689,56.98518241,56.61272557,42.49617882,36.65255027,47.83624594,40.04053788,38.9834644,42.50688822,43.8893286,46.59364733,35.38245437,"HMDB0029778","M+Na","C15H20O11",36.5,-0.136480775,"Furaneol 4-(6-malonylglucoside)"]
["11.55_667.2760n",712.30206,11.54543333,"neg",81.13959521,115.5863578,141.6556478,72.38519966,71.01478329,107.0061778,142.6065037,77.72213782,129.6922181,127.5089105,99.59129551,79.61027295,174.4696737,120.1716472,90.46253019,93.15919139,190.8593563,192.1232925,137.7865925,146.8931032,167.3646646,180.1041327,173.3254187,118.1424541,102.7336841,112.0308538,107.0419785,118.2144459,107.7837074,109.470167,98.36038917,104.8185474,"HMDB0040385","M-H2O-H, M+FA-H","C39H41NO9",36.5,-3.20122131,"Neoacrimarine B"]
["2.95_359.1670m/z",359.1669797,2.950916667,"pos",0,0.760306311,1.83964118,1.830099405,5.133476207,1.649303684,2.533599778,1.320505166,1.383785426,5.900277653,3.157991973,3.491122202,1.131164536,5.889780158,2.936791275,1.396148616,5.579031615,10.33823479,5.226397938,6.277989095,4.283098493,4.590636047,10.15741163,7.728357787,3.58512482,3.036560499,2.964569719,2.734994399,2.855679336,3.692561251,2.954616795,4.380124,"HMDB0006591","M+NH4","C12H23NO10",36.4,2.808842546,"Lactosamine"]
["6.79_603.1796m/z",603.1795714,6.794516667,"pos",6.213154382,8.917916575,7.039894345,7.184804428,7.253621749,9.024244776,6.670959776,6.358362451,6.128458995,6.470397992,8.840733378,6.231460695,6.843363492,9.006606174,8.137548799,7.599319071,6.97694139,7.128112575,5.158103179,7.274504636,6.350053496,5.406794072,5.712034789,6.016589039,6.949314303,6.479623506,6.902888864,6.973567484,6.64595043,8.614712005,6.010392116,6.744178642,"HMDB0034688","2M+Na","C19H14O3",36.4,3.037075967,"2,3-Dihydro-2,3-dihydroxy-9-phenyl-1H-phenalen-1-one"]
["3.80_584.1390m/z",584.1390104,3.803866667,"pos",11.7622524,7.963717737,12.65266143,13.91877796,12.37423853,9.82956482,13.26030095,13.7911988,10.60803831,12.54303048,12.49007586,12.29147164,14.73437114,12.54494615,11.51864751,9.984985434,7.824666601,17.68391874,10.64869603,19.22669518,10.77670865,7.054904216,13.90432626,11.6679778,10.83613049,12.69819377,11.18121197,13.15415733,12.7645702,14.01987242,11.44257277,10.81060014,"HMDB0059960","M+K","C27H33N2O6S2+",36.4,-3.946336791,"4-{[4-(Diethylamino)phenyl](2,4-disulfophenyl)methylene}-N,N-diethyl-2,5-cyclohexadien-1-iminium"]
["5.63_518.3312m/z",518.3312317,5.633516667,"pos",0,0,0,0,0,0,0,0,0,0,0.839045791,0.916299207,0.250732422,0,0,1.122172879,2.921089046,8.878932421,179.1930859,3.371368492,0,1.282169687,8.272786006,159.6279226,9.498107282,8.755622231,7.517050267,8.808970926,9.732342896,8.97704992,7.809637172,7.916089168,"HMDB0014554","M+NH4","C26H44O9",36.3,-2.252223807,"Mupirocin"]
["12.21_440.1343m/z",440.1342858,12.21123333,"neg",25.26938564,30.50478334,21.44103492,22.72172668,21.2338804,30.7576991,16.41643515,24.46890058,34.35023479,31.03405107,28.68900494,32.49844371,23.72505582,33.91913381,36.74520543,40.66281141,30.12515811,27.06704701,34.47781106,39.43879665,37.29500281,34.4286409,33.53521363,41.40724356,28.0529269,24.15358657,34.91751354,34.65651543,31.25490033,32.66991526,40.91453201,39.62677532,"HMDB0038598","M-H2O-H","C23H25NO9",36.3,-1.752129843,"Narceinone"]
["7.89_320.2586m/z",320.2586085,7.890883333,"pos",9.614736312,11.73424528,6.706898399,4.730810863,7.185381367,8.504342181,6.615835991,6.152098918,7.633912215,5.748723733,5.316158483,5.594210842,5.385208189,3.85844969,5.379927709,5.637345543,2.171308097,2.966645562,2.994614883,3.582173825,6.468540389,2.045608731,2.977561005,3.964526544,4.89619072,5.507677403,5.797817497,5.281762834,6.0262375,5.38126409,5.068220499,4.583031327,"LMFA08020029","M+H","C20H33NO2",36.3,0.634981138,"N-hydroxy arachidonoyl amine"]
["9.53_594.1592m/z",594.1592036,9.528083333,"pos",0.474486926,1.75107505,8.892993731,2.065969744,0,1.78742651,7.037976236,3.3123193,4.712106914,2.80341414,4.688467414,1.083944829,7.466391663,5.115197899,3.185854444,1.965369269,4.070367173,4.044031491,6.073322617,2.854764285,9.22800037,3.327400819,5.174189913,4.958652105,7.590432413,7.918099969,7.632479151,7.966378469,6.928810782,6.360886792,7.599221325,4.565725431,"HMDB0005810","2M+NH4","C15H12O6",36.2,-2.426860292,"Eriodictyol"]
["1.01_533.1022m/z",533.1021757,1.00525,"pos",26.85958342,26.21803641,47.16404526,24.18493683,24.55781963,23.4504765,49.46701195,22.09238881,43.54107074,31.97045458,34.81334564,26.94644745,32.06933227,28.69528253,28.57946279,31.41725873,27.74822166,26.97603728,37.81471334,24.98290097,50.5747296,31.64747125,28.82286901,29.85426144,40.90044228,40.1375158,39.52031759,34.74096596,34.15790233,31.83343673,27.69732228,28.19221826,"HMDB0033864","M+K","C30H22O7",36.2,4.987570889,"Palmidin C"]
["0.64_471.1497m/z",471.1497365,0.637166667,"neg",240.135575,136.1590051,48.4431984,136.0409351,92.09106258,171.5974569,48.18188236,128.0978029,73.52304432,93.66320283,128.7128643,110.198398,83.55013015,107.7903603,124.1805406,107.0825209,40.6925691,95.24843412,65.42452789,142.7758987,32.99101582,49.36482004,101.7631364,58.41651455,90.25980899,84.82210754,95.69979053,68.94099078,90.36714172,101.8211765,97.68549891,101.7919922,"HMDB0034032","M+FA-H","C20H26O10",36.2,-2.495355882,"6-(2-Carboxyethyl)-7-hydroxy-2,2-dimethyl-4-chromanone glucoside"]
["8.23_317.2107m/z",317.2106669,8.234683333,"pos",2.285126949,3.108875974,1.935934721,1.420473462,2.952919397,2.955439622,1.028036696,2.83429175,3.433747414,6.471776572,6.007365174,8.81768537,4.193090207,5.876810242,6.179482062,8.25211024,7.845558562,5.036893759,9.43365729,6.349945601,9.480543069,4.686710419,6.766870889,8.85240891,4.56050165,5.3342318,5.814306825,6.39258304,6.598952593,6.923792061,6.383549307,6.331993672,"HMDB0000344","M+H","C20H28O3",36.1,-1.436846244,"2-Methoxyestradiol-3-methylether"]
["5.67_343.1031m/z",343.103065,5.665633333,"pos",3.691476352,3.620666445,6.25290651,7.049631058,5.586657795,2.846486198,5.757259856,7.82045084,7.186669806,4.112130553,3.505715904,7.064219541,5.999339416,4.025890829,2.486646507,8.312839548,7.929102017,9.944301188,6.104118027,5.498571713,5.080693435,8.396711643,9.023416058,7.316337775,3.654663444,5.297647578,4.30714476,5.59633664,6.074617062,6.056088588,5.487190127,3.403913364,"HMDB0034313","M+H","C15H18O9",36.1,2.064969012,"Glucocaffeic acid"]
["0.57_406.0072m/z",406.0072026,0.5732,"pos",1.314935233,4.48368166,15.70364865,7.867384634,12.56742954,4.112342989,13.77791906,4.671515355,16.29419105,0,4.212179576,4.016971251,10.97177019,2.185212983,5.978376641,5.577037583,10.95088274,9.390481978,4.038163715,6.178362417,12.39981167,6.10031641,8.05426461,2.430176048,4.254993787,7.340300689,7.268108139,8.88944911,7.347348203,7.180509234,9.249670543,7.367531511,"HMDB0061069","M+Na","C10H12ClFN5O6P",36.1,-4.683193063,"clofarabind-5'-monophosphate"]
["9.29_365.1961m/z",365.1961408,9.291883333,"neg",17.53171311,5.566393344,5.77499257,7.263580534,4.924348259,4.923968021,2.154894265,7.037680211,9.702278739,9.846300608,8.495613178,11.22146135,11.11150422,12.55293575,8.439835205,12.58887115,5.299293279,14.69185678,6.740429071,15.91014897,6.50695065,5.628446622,11.31211985,11.16623485,10.60607154,9.64823062,10.67753729,9.95377262,7.825835062,9.162113372,7.961168454,10.83794978,"HMDB0012798","M+FA-H","C19H28O4",36,-2.565294715,"5'-Carboxy-alpha-chromanol"]
["9.33_316.2017m/z",316.2016515,9.3315,"pos",1.742058554,0.876168622,3.117172563,1.109405916,1.018355662,2.476772628,2.240300859,2.426330755,1.538453582,0.945419311,1.586430786,2.6006035,2.669174165,1.783354103,2.011221209,2.12890969,1.479994379,5.728807251,4.676258909,1.133960837,2.656819066,2.93013452,8.847430852,7.049323102,2.112622695,2.84693777,1.745706343,3.200858748,2.373918629,3.609215228,4.586582356,4.380267719,"HMDB0030202","M+NH4","C18H22N2O2",36,-1.012841665,"Fumigaclavine A"]
["13.32_297.2790m/z",297.279004,13.31535,"neg",6.498320846,17.32473463,7.259236209,7.696396094,12.48777085,14.97014264,8.672244499,7.317683904,11.01334401,8.934121204,8.781926263,6.653131719,6.468059271,8.925179875,6.831210012,9.578263514,8.675683826,2.514079697,2.498075909,4.581257731,4.069705448,6.501782015,3.099306429,2.435830656,5.672702689,6.456021521,5.500736545,7.920526279,7.045693385,6.250268034,4.976834627,5.99711892,"HMDB0036345","M+FA-H","C18H36",36,-3.567629151,"3-Cyclohexyldodecane"]
["6.44_300.1347m/z",300.1346578,6.439533333,"neg",1.447747882,0.714647828,10.74995063,6.966707592,0.342648652,0,5.71566099,8.127873766,3.843909256,1.693054251,0.916018775,1.399789601,0,0.810402775,0,2.809182367,0.692236992,8.412926161,0.749656597,9.039323999,5.449866863,0.914693791,8.878069953,1.432424837,4.461558357,8.761379591,6.010362695,6.084948243,7.305375142,7.724299402,8.049676226,10.90416229,"HMDB0029028","M-H","C16H19N3O3",35.9,-2.348567343,"Prolyl-Tryptophan"]
["5.51_902.4232m/z",902.4232082,5.509583333,"pos",36.38937082,79.13548247,139.0719591,63.35226213,63.69035259,81.80657239,116.03413,63.03555856,55.07519549,108.4102255,57.85967622,72.44184234,55.64442735,114.1763868,59.51059775,83.12129554,151.5064736,46.5708155,86.32276787,31.47139944,75.72810805,128.4867119,39.00014553,69.84873333,73.92379883,77.01364887,74.38593994,63.54299783,90.24252384,79.00322612,82.12954785,78.13980032,"LMGP04010030","2M+NH4","C18H35O10P",35.9,-4.732295742,"PG(6:0/6:0)"]
["3.18_429.2119m/z",429.2118527,3.178033333,"neg",2.00954766,0.899105094,3.247336291,4.476307066,4.436799664,1.481909309,4.215638356,3.326906649,5.223644372,3.656221419,4.448774834,7.097134517,3.9261038,4.547715837,4.726981039,7.171267731,6.387672888,8.134327472,8.2237717,6.40731804,4.110961475,5.900600435,7.47615909,6.674595451,2.804465401,4.651630096,5.013254648,4.3492295,3.756292652,4.85859185,3.486913831,4.449810154,"HMDB0029347","M-H2O-H","C21H36O10",35.8,-2.57355496,"Acuminoside"]
["11.83_382.3307m/z",382.3307238,11.83201667,"pos",16.67661895,13.01625704,7.955895753,10.74000182,8.756860798,14.04627415,8.266209089,9.815134399,11.17244434,10.13013326,10.29632903,13.45668296,11.13372815,7.827612874,9.845079611,9.071948439,5.130492676,6.749014503,6.261227355,9.797802292,4.663601298,5.26309851,9.257310701,7.425352517,11.82973301,9.245090897,9.200870402,7.169460528,4.005833032,5.704379279,10.19521555,12.24029322,"LMGL01020026","M+NH4","C23H40O3",35.8,-2.324720185,"2-(8-[3]-ladderane-octanyl)-sn-glycerol"]
["10.55_537.2826m/z",537.2826283,10.54566667,"pos",0,9.315911125,6.117143787,2.32701046,4.928682266,10.22440478,5.641239702,4.930471837,16.47242918,13.10917076,3.558777722,2.657071933,11.02108765,11.51201943,2.562076203,4.533577758,46.87942365,8.185522585,18.04277339,8.430892377,68.1337884,47.67161874,6.834642977,15.71338923,9.988696835,12.93001731,12.31929812,12.27844494,12.72220691,13.35984694,10.37409207,7.118463173,"HMDB0035381","M+Na","C30H42O7",35.7,0.688241314,"Ganoderenic acid A"]
["4.54_557.1314m/z",557.131436,4.537133333,"neg",2.449287999,1.654326907,3.736141628,5.528677826,3.640000994,1.808285603,4.725766568,5.727613676,2.41746478,5.640781179,2.910085912,3.862336699,6.986858121,6.148327282,4.801709592,3.966637271,5.50745726,8.377886952,6.217474508,6.229416003,3.333292221,5.150728604,9.096372287,5.155221232,4.543395415,3.904033019,5.331529902,3.79083353,4.254917167,4.008176049,4.172454743,4.28733092,"HMDB0040862","M-H","C27H26O13",35.7,2.457431002,"Piceatannol 4'-galloylglucoside"]
["12.03_427.2444m/z",427.2444076,12.03496667,"pos",9.061119686,7.137887216,10.44056548,8.832200382,6.276239087,8.791518385,10.33310927,8.120621669,9.504594412,10.64241829,7.56500013,9.832246374,6.830873073,9.652902412,7.61797449,5.813505115,10.97182671,11.33138022,10.43735471,12.00178101,10.20858921,12.14624742,13.98840534,10.84911185,10.8168166,9.942248918,8.441456104,6.215885965,7.854160429,7.541773432,9.418120932,10.85399361,"HMDB0000447","M+Na","C24H36O5",35.6,-2.68973125,"7a,12a-Dihydroxy-3-oxo-4-cholenoic acid"]
["9.51_689.2844m/z",689.2844084,9.50815,"pos",123.8805556,98.06185297,107.2346675,111.6238263,110.5679566,83.1909729,90.29004796,92.51288667,85.05216373,99.91209216,104.5318099,162.8713754,105.466129,98.29531178,114.008244,96.50921024,63.41260378,91.70487258,92.51217431,97.23610652,66.53678142,62.27209156,89.51527819,146.7211446,101.9318333,108.2619527,111.0125919,121.4189931,125.0689031,118.7471411,111.7462649,108.30877,"HMDB0029117","2M+H","C18H20N2O5",35.6,3.906118136,"Tyrosyl-Tyrosine"]
["13.02_657.5031m/z",657.5031109,13.02336667,"neg",830.3977376,746.1417564,805.5185039,753.1991697,718.3465634,755.05344,850.3522983,725.4935733,700.6029962,734.7362454,699.0082882,688.4142118,770.3118936,777.8549037,708.2891805,642.0396181,712.7380598,903.2608052,781.8822352,906.3391926,732.9535837,689.0795833,892.2477071,764.7966327,809.1530999,813.2602385,780.0502586,793.0269699,778.7129347,786.1285632,771.0153993,788.6862291,"HMDB0006202","2M-H","C18H35NO4",35.5,-4.297384486,"4,8 Dimethylnonanoyl carnitine"]
["13.02_538.1830m/z",538.1830037,13.02336667,"neg",6.842040901,3.049218739,8.499275846,5.213910116,4.204821367,9.079802254,3.8486517,5.969256072,6.460520992,8.745797375,5.093467005,4.661114153,4.424152189,5.88051634,7.585262117,4.895046051,7.764542288,8.563436886,5.49115739,8.336646976,5.322003614,3.121438785,6.20210597,8.308435848,8.450096049,7.825952821,8.016918237,9.10515277,6.865756396,7.508658748,8.031187353,6.362943643,"HMDB0040703","M-H","C27H29N3O9",35.5,-0.184371082,"Pulcherosine"]
["2.18_401.2036m/z",401.2035805,2.182916667,"neg",8.177281216,4.842030113,3.677903976,5.091268816,5.810800755,5.354560861,4.023656773,5.812188953,4.482618837,0.670092255,3.434175092,2.630874876,2.470639961,1.391865535,3.631240307,2.947503394,0,1.288160784,0.507966041,0.875729396,0.807338113,0.601300044,1.661145592,0,1.944793037,1.417051003,3.446321986,2.793720761,2.571124135,3.591795503,2.966587566,3.866410743,"HMDB0015238","M-H2O-H","C26H29FN2O2",35.4,0.274080079,"Levocabastine"]
["0.83_435.0331m/z",435.0330837,0.8302,"pos",45.20972593,45.84715435,67.9592087,46.43922127,59.41506882,47.35311322,72.36463331,47.50213307,44.40645196,51.61987163,42.80144601,42.55178306,52.09938119,51.80758723,44.15192357,38.7489482,74.15999232,50.41707235,69.77339535,53.49549461,78.24535418,66.53720408,52.42356016,65.74556868,47.17238978,49.96648984,47.13616531,51.61067002,48.34701442,49.32026886,47.67619772,50.78008414,"HMDB0032884","M+H-H2O","C18H16N2O8S2",35.4,3.461056767,"Allura red AC"]
["9.49_568.2326m/z",568.2326024,9.48825,"pos",15.11849586,38.32923109,11.15365835,12.59649688,8.955874857,36.21151512,11.94053499,7.921324945,26.20417818,15.03107852,13.52282588,11.56165279,8.553741515,9.263641204,9.845775861,10.15697116,12.04216401,8.008655756,18.65595151,15.59348941,22.98795457,6.953245013,12.23034407,17.66122726,13.03931125,9.182739849,14.34515147,12.23158516,10.82443878,11.03423394,9.51454435,4.910804613,"HMDB0002409","M+K","C26H43NO8S",35.3,-2.822828079,"N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine"]
["12.99_606.4431m/z",606.4431141,12.99086667,"neg",16.96964833,16.85767445,5.32096138,11.26979821,16.38581234,13.60680055,4.356386206,11.71241643,15.73161594,11.6156229,15.70754065,13.59813982,5.935653332,10.13259704,14.41527624,14.93300026,11.74996354,6.427335296,3.254329684,4.356136916,4.256417596,9.923500886,5.817133915,0.94505774,10.23086549,10.35241153,9.601835039,12.55646498,10.70837413,7.629028024,8.760251137,11.70788479,"HMDB0062435","M-H2O-H","C36H70CoO4",35.3,0.558754079,"9,10-12,13-diepoxy-octadecanoate"]
["12.45_857.4351m/z",857.4350788,12.44671667,"neg",15.27845134,23.82459504,21.97331739,31.43748094,55.15439505,27.68224336,21.30716349,29.14566258,57.11697327,31.31964385,31.54083847,29.90599178,16.28307211,32.57663692,30.78642805,32.91338012,24.43132938,25.18533437,15.58184678,24.86047529,32.1542332,24.95188021,17.07831786,13.84718095,27.14652863,33.36077839,30.40560542,33.26224599,28.10761011,27.75121623,26.85946673,24.61880012,"HMDB0015332","M-H2O-H","C47H64N4O12",35.2,0.965760661,"Rifapentine"]
["14.77_935.6554m/z",935.6554462,14.77066667,"pos",2855.481925,2559.526335,2154.667629,2362.088637,2618.619064,2918.025791,2594.760307,2559.882808,2169.944682,1859.318295,2317.983269,1952.140626,2313.423264,2048.54897,2646.37672,2492.721578,1457.755503,2021.561534,2441.123869,2166.015066,1546.816409,1776.965279,2157.969,2262.204067,666.9442488,1624.60717,1616.394035,1111.541634,1247.815829,1202.365105,1516.722513,1400.770353,"HMDB0042869","M+K","C59H92O6",35.2,3.231309726,"TG(14:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"]
["10.67_538.2431m/z",538.2430874,10.66846667,"pos",6.247939305,9.849003422,10.42463345,5.422890984,8.628723073,10.44832379,14.43899463,4.444502967,12.78477644,13.21260636,4.770830171,5.965918372,12.80586538,15.41520146,8.98116002,4.844022893,24.68831749,21.91832532,13.6209945,15.47399083,26.54607538,18.57581794,19.91402969,13.33267208,13.20503308,11.3635219,13.79254149,14.09212848,13.35538315,14.20490121,11.44520276,13.41747396,"HMDB0032730","M+NH4","C30H32O8",35.1,-0.876775779,"Divanillyltetrahydrofuran ferulate"]
["8.16_731.3270m/z",731.3270265,8.16305,"pos",22.48324399,13.2434158,6.063119351,18.76814233,10.00555113,13.0591032,8.154845406,12.56434069,13.30888627,12.29843077,7.952916694,10.98142851,10.276727,20.75874174,12.08400778,18.28745769,4.267657097,11.84041898,5.33461618,3.528256126,2.801243828,2.643336219,8.733057021,5.149172198,11.33830253,8.247375256,13.72765182,12.17016836,15.80784413,9.948624189,12.90950987,14.10458279,"HMDB0036946","M+Na","C36H52O14",35.1,2.964008052,"Scillipheosidin 3-[glucosyl-(1->2)-rhamnoside]"]
["13.02_722.4765m/z",722.4764825,13.02336667,"neg",18.32994812,25.12420175,13.01730659,17.90057653,24.5708043,26.93040686,11.67849559,17.00227475,20.60809217,14.49099234,19.33628278,22.26158895,15.18060446,19.95796108,16.29574494,16.6087518,10.63893027,10.75071332,11.26236905,15.43235918,14.90071707,14.91832598,9.525907613,16.02757376,19.49601745,18.50628033,20.48994665,16.80976434,17.81023908,12.9029941,10.88109001,15.01371555,"HMDB0007910","M-H","C40H70NO8P",35,-0.201683274,"PC(14:1(9Z)/18:4(6Z,9Z,12Z,15Z))"]
["11.97_717.3872m/z",717.3872351,11.97111667,"pos",55.30668332,22.75884215,15.73133613,80.60143642,36.05463005,16.06160851,21.89449524,76.30241902,10.09413815,86.08805585,42.79377124,70.27817264,42.97908202,90.5967345,45.66425073,80.76443445,18.14722083,75.22338064,70.16355391,118.7067491,5.266798151,17.28735667,82.75700399,64.49359865,44.05448105,36.55582842,34.77468878,52.01845285,47.12727414,46.67271376,65.20714711,65.46756296,"LMGP10010090","M+K","C38H63O8P",35,-2.916392065,"PA(13:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"]
["0.69_305.0635m/z",305.063544,0.6868,"pos",65.65855206,16.9843066,10.41720286,56.89551273,13.71227123,16.49577579,10.16885354,52.72517275,34.26951486,52.26983106,25.60318276,56.73265441,19.15700054,49.39835231,22.29651599,45.3931121,36.9848435,79.5291601,63.16017205,66.47021585,25.01556011,35.78548909,68.25207555,58.18079123,32.8858037,30.13332247,30.19564983,37.77339931,33.40794742,36.15418221,35.11109741,34.18504876,"HMDB0038515","M+H-H2O","C11H18N2O5S2",34.9,3.473034108,"L-gamma-Glutamyl-S-allylthio-L-cysteine"]
["12.20_988.5644m/z",988.5644154,12.20348333,"pos",249.7089406,242.7544728,142.4897575,200.5908116,164.0394514,249.382715,115.5451903,211.3055562,134.9724356,191.285982,178.5694211,225.7729846,171.8483073,189.5644563,164.5084019,242.5246378,77.50346601,99.48675527,103.5103249,123.6999749,85.68675617,70.20994027,94.29509049,99.20266657,157.5628639,180.7568681,157.1906503,93.60506326,104.3141283,83.05922419,143.3807108,131.8376861,"HMDB0061563","M+K","C52H88NO12P-2",34.9,-3.324111161,"PS(DiMe(11,5)/DiMe(13,5))"]
["11.35_617.1528m/z",617.1527982,11.35228333,"neg",11.92274514,23.82617357,8.693264563,6.912993942,6.573031247,26.92979011,10.57003287,6.229025531,22.39615498,7.397039176,12.02681613,7.599875351,10.15952934,7.50616792,12.70144463,9.333327841,10.53238335,6.15163542,9.914386783,4.380093473,30.77998297,8.416253899,3.490350678,7.477830011,11.18362286,8.038032871,11.22135566,12.02402192,10.71599114,8.820831241,5.897238927,7.925147476,"HMDB0034694","M+FA-H","C28H28O13",34.8,2.804037078,"2'',4'',6''-Triacetylglycitin"]
["12.59_609.3909m/z",609.3908803,12.58838333,"neg",94.78011394,77.72454365,94.2223641,81.83223625,87.06492499,65.26878571,82.4903579,76.28746002,45.26723345,84.54467959,73.60117491,66.10207264,65.07542714,82.22362621,59.18680448,53.82492761,79.74408464,101.1398098,77.1778764,96.8580626,40.84520574,89.58742164,115.2942638,88.9437978,87.42755884,79.80151354,93.08323037,74.27362737,68.38165122,91.89180738,94.75477988,96.48067447,"LMGP10010077","M-H2O-H","C34H61O8P",34.8,-2.679918978,"PA(13:0/18:3(6Z,9Z,12Z))"]
["7.42_532.3036m/z",532.3035735,7.422516667,"pos",0.656702716,5.277516616,3.792957475,7.143591929,4.275174115,7.295050876,3.14621686,7.822655032,1.198303439,15.31604491,3.721278247,4.178664069,5.152130187,15.2177932,3.567721453,2.347911615,15.84280434,7.180326797,14.03781187,7.657408732,7.22305436,13.41766496,8.057727462,14.65340886,6.428527138,10.27974376,8.181840223,5.159137933,7.279580439,7.390754029,8.342378926,5.281797843,"LMFA03090009","M+NH4","C25H42N2O7S",34.7,-2.964768979,"14,15-HxA3-D(11S)"]
["12.21_892.6624n",891.6197565,12.21123333,"neg",63.18512832,50.16685408,64.07619567,54.76959445,62.20612367,60.67556127,44.87330507,59.81406163,66.47773535,49.02294697,58.92405764,47.04072237,49.93223823,50.53872384,55.53666778,43.45686176,60.45499017,54.22849133,53.11504841,68.17449257,46.79842251,56.4046786,78.74320914,55.31325678,70.81833519,63.0016575,51.9723668,49.26305041,53.95074388,69.29065274,56.3913257,50.84546422,"HMDB0055503","M-H2O-H, M-H","C59H88O6",34.6,4.775988575,"TG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))"]
["9.42_608.3564m/z",608.356376,9.417383333,"neg",8.145670871,17.39132811,6.72777362,10.36657163,10.09432899,25.45058143,10.44255351,8.291143908,15.35855434,15.80412976,15.83936858,12.87741583,6.111624705,10.76455315,11.6954901,17.37282529,22.91954383,23.98182448,18.97770712,15.17364435,26.83251426,33.42118158,13.83051696,21.1890918,12.69488142,9.868745798,9.442817808,10.24906724,10.83468625,12.64376825,15.79905525,15.41037315,"LMGP01010878","M+FA-H","C28H54NO8P",34.6,-0.942953779,"PC(18:1(9E)/2:0)"]
["7.74_738.1954m/z",738.195427,7.73625,"pos",11.18513129,8.701703926,6.922832512,12.69292011,3.21875933,7.450274332,6.076649265,11.4640932,5.201359962,14.42046049,5.456814775,10.06631564,12.2118712,13.61754538,5.83850274,8.599217885,8.354112915,14.05315725,10.86186213,16.81361918,10.46627931,8.82710091,9.759671506,12.9379566,10.07540742,11.0030519,9.105994397,6.24806262,8.42603465,7.928033241,9.959808324,6.437539964,"HMDB0031974","M+H-H2O","C40H35O15+",34.5,1.482896556,"Malvidin 6-(6-p-coumaroylglucoside)-4-vinylphenol"]
["2.86_617.2334m/z",617.2333841,2.859916667,"pos",33.48846136,55.04968985,26.42652822,17.90437616,10.95445223,57.2068245,19.22328611,19.87333498,44.15904381,0.436842367,26.4887139,15.39273025,23.80485641,2.313578944,22.65905111,13.59670917,24.23372905,6.464098256,8.690708937,4.982733306,27.8450424,24.62974828,7.142846589,6.930924711,16.64208872,19.0233658,17.32931085,16.02613481,16.43670978,16.04788246,16.31084368,16.1513426,"HMDB0015690","2M+K","C16H20ClN3",34.4,1.859487752,"Chloropyramine"]
["5.47_516.2770m/z",516.277049,5.469583333,"pos",6.910286515,13.82650046,16.73838113,13.85769075,16.00539569,16.17405732,11.86344136,16.02397558,20.26047294,6.520347159,8.677718796,8.245368758,14.23657082,5.248920133,6.193191956,7.245580101,9.974096861,9.365814423,13.8059644,9.778111824,15.22866822,9.871873337,8.971276347,6.890601835,9.264139837,6.131056474,6.552403291,7.161521825,8.742340135,13.15170686,7.514889824,7.674934285,"HMDB0014936","M+K","C21H43N5O7",34.3,-4.939751553,"Gentamicin"]
["1.26_382.0986m/z",382.0986294,1.260466667,"neg",16.55942079,10.20297749,19.38918316,19.67327421,12.80565355,12.71173671,19.70513056,20.39969479,15.41456079,18.73664094,11.20522845,16.49137451,19.65316279,22.2155414,12.28494273,15.19354321,13.17494245,26.38902753,25.22836983,21.60195119,15.91270745,13.12779544,26.48673383,27.01451737,13.29930744,15.70478293,12.41481296,12.75334702,14.46014904,16.43377286,14.28323227,14.60522012,"HMDB0000912","M-H","C14H17N5O8",34.2,-4.715819044,"Succinyladenosine"]
["9.92_823.3887m/z",823.3887468,9.916183333,"neg",40.33103239,18.63690425,6.279545481,21.25343018,92.71804125,25.94797103,5.710417884,23.7761141,22.87353893,46.20331627,65.43588251,34.12743796,80.75838719,42.1907964,64.64977874,33.10381007,13.81311944,101.8149331,38.16373593,203.8584036,49.51094155,3.502327715,96.66182242,39.61436367,26.74630279,37.24751836,37.09315847,36.55284128,29.57729274,29.54291987,23.95315671,34.45844571,"HMDB0014505","M+FA-H","C45H54N4O8",34.2,-4.65153745,"Vinorelbine"]
["3.95_973.8243m/z",973.824343,3.947316667,"pos",8.436688255,9.400578369,7.302462931,8.266363336,19.27911524,8.911270543,6.289611403,6.342839095,14.61985607,6.519814298,17.67831302,14.19745326,7.84736818,6.463151048,17.49410845,13.00137317,3.045092231,8.351690349,11.8459083,18.41053567,9.662850371,6.03123639,7.917655792,10.12567913,12.16549586,10.00531028,12.20066416,11.23564827,11.25951499,11.61147203,8.959317155,9.616163197,"LMGL03011859","M+H","C64H108O6",34.2,2.544595697,"TG(17:2(9Z,12Z)/22:3(10Z,13Z,16Z)/22:3(10Z,13Z,16Z))[iso3]"]
["10.66_701.2609m/z",701.2609078,10.65965,"neg",11.68736204,25.6431694,32.14571913,16.59931712,17.13526218,29.56981037,32.29163395,15.083379,29.48584371,28.78035444,22.44507002,15.07079242,43.45730819,33.20165393,29.94863221,18.23120307,62.15391023,44.72248863,47.20481395,52.88169191,61.51611344,59.66361708,49.09157079,51.99629403,27.499424,28.91937951,27.50388449,29.31177909,32.32231003,37.88148203,42.25510808,43.43175242,"HMDB0041433","M-H","C40H38N4O8",34.1,-1.110611247,"4,4''-bis(N-feruloyl)serotonin"]
["13.01_687.5005m/z",687.5005367,13.01286667,"neg",16.48966199,47.70249371,13.0185552,7.533324301,21.24071335,49.9148307,12.87701757,6.252620644,27.29694645,7.116824133,13.27442535,11.22952294,5.045731754,6.57973236,11.31168354,5.226083257,16.87393046,4.097805633,4.247306736,5.969283589,21.62764782,16.85336461,1.784558215,6.89054432,7.880900444,12.28205037,9.229567844,9.030552186,9.5495805,6.955691835,11.01688917,11.77621224,"LMGP04020007","M-H2O-H","C38H75O9P",33.9,4.964162793,"PG(O-16:0/16:1(9Z))"]
["4.55_991.1423m/z",991.1423488,4.550633333,"pos",3.35332073,4.455327025,6.494834236,4.912027569,6.386835315,7.084312417,4.475537762,4.313671503,1.430624146,4.371761986,1.99391717,1.391327171,2.02270946,4.567073513,2.308764792,2.259734015,1.581167327,1.380907578,2.352697255,0,2.623454614,1.818214963,0.396275654,1.415470604,3.012416321,1.927095139,3.082053982,1.976225221,1.858996627,3.028638198,2.262043871,1.948913337,"HMDB0029195","2M+Na","C21H21ClO11-",33.7,-1.394668921,"Cyanidin-3-galactoside"]
["9.05_495.1568m/z",495.1567681,9.047733333,"neg",15.3716398,14.45239183,10.80815904,15.13050934,7.88137954,13.23378117,9.779925415,15.49359848,13.74925982,20.67187522,12.89491916,15.90447717,14.25521044,20.79714955,12.68502291,15.75685277,11.07752278,13.25053129,15.38606548,12.89860385,13.7301431,10.44276517,12.7923294,13.71698641,13.70514831,13.09958717,12.01176438,15.03810653,11.39145465,10.84728881,11.72034238,9.700415108,"HMDB0014350","2M-H","C12H13ClN4",33.5,-3.433830962,"Pyrimethamine"]
["3.04_473.1994m/z",473.1994433,3.0351,"pos",0.253492749,1.453016706,4.298187616,3.900716285,2.283530982,1.459580293,3.928142766,3.289605622,2.568949979,4.755066225,2.79902515,4.019715232,4.538214357,5.207582669,2.080685952,4.630208242,4.313510554,7.277757353,5.873624523,5.334973662,3.717512105,3.462241248,6.235348768,5.203003369,3.873770645,4.321626805,3.635224428,3.632057575,4.350885073,4.582584492,3.181790535,4.080391983,"HMDB0036606","2M+H","C14H17ClO",33.5,-3.004766667,"Pterosin F"]
["18.92_138.9710m/z",138.971039,18.91575,"pos",36.67269699,26.69865574,43.15858602,33.73134311,35.59102992,33.15109753,37.70279636,36.45793673,36.76492592,32.59370781,34.29480079,34.39000085,31.25230956,32.67415374,30.21566559,35.89785558,39.13757802,48.84766725,33.55740206,43.02304788,48.74966473,41.93477989,47.5702588,39.6506305,25.24411432,34.95329716,28.78026516,29.83368054,27.67448797,26.74993498,39.72140486,37.38769262,"HMDB0036573","M+H","C3H6S3",33.4,4.344743488,"1,3,5-Trithiane"]
["14.57_659.4475m/z",659.4475418,14.57345,"neg",20.30865288,6.998291114,2.156987859,6.909553924,6.869667815,5.296161166,1.717803987,5.485557669,5.28171149,4.878894099,5.934765715,5.345276013,1.578706603,5.838366548,4.390454336,4.521261647,1.547328067,6.309695689,3.642277181,4.950793331,0.804461587,0,5.89378051,5.807440809,4.834171811,4.448260536,5.718282365,3.253433838,3.550842345,3.19581898,5.044234384,3.716995641,"LMGP10030022","M-H2O-H","C39H67O7P",33.3,4.335972694,"PA(P-16:0/20:5(5Z,8Z,11Z,14Z,17Z))"]
["12.26_601.4260m/z",601.4260497,12.25518333,"pos",67.84289999,53.13451023,38.01964358,60.19550462,40.72886864,50.42861262,27.90263313,65.76718577,40.52181959,54.83947047,56.04905554,53.0475333,30.99456511,47.67016418,48.83378168,63.40906685,36.79328832,48.09996818,46.61101514,53.00007773,10.97976233,31.39016424,42.46370765,40.87036472,56.79294129,56.00556234,52.75185988,36.71460181,26.27037582,26.70939787,50.69105503,58.32537124,"HMDB0029654","M+H-H2O","C40H58O5",33,1.476297129,"3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol"]
["1.84_601.2032m/z",601.203237,1.836266667,"neg",9.126910334,21.44225286,13.82031766,15.74361271,8.161479518,20.29846924,14.45323526,14.07850534,8.339788404,0,34.16717421,14.21019609,8.462043968,1.476696584,28.83663163,17.24722394,27.64102085,11.57058002,7.831636376,4.301876732,3.558278303,25.00853036,9.341519128,7.790729193,16.71707838,16.2000561,21.32504388,17.50572737,17.75066154,19.08394031,17.57441425,16.19538824,"LMFA03120027","M+FA-H","C27H37ClO10",32.9,-4.478466959,"punaglandin 1"]
["8.99_989.5081m/z",989.5081266,8.994233333,"neg",16.73828949,23.83557726,13.13453686,21.09601086,16.58454446,24.23625907,5.683331792,18.9158481,12.4293749,11.96838407,11.22235064,28.20849168,7.333410878,4.924481103,12.01382695,21.64180204,15.46174015,8.453526132,4.009023471,7.150668492,6.650409717,15.7837907,6.399485675,7.600030793,9.608647879,10.89703223,10.54275615,9.223168232,11.08901986,12.2307092,13.50399833,9.983838541,"HMDB0037929","M+FA-H","C51H76O16",32.7,-3.613057959,"Tragopogonsaponin M"]
["11.31_631.2596m/z",631.2596033,11.30945,"neg",0,7.597926838,5.068314824,1.690582351,5.854983829,6.586442111,4.594194114,3.583192794,7.754052484,6.90537327,4.662471554,2.420659459,5.167658235,9.532608303,4.875820353,4.34762289,18.00673273,7.230453692,7.179082381,10.0323129,34.86751743,20.5615621,10.96387751,6.773213051,4.187162643,5.421102779,5.002202618,5.444174907,6.634638173,7.653142873,9.412168972,9.351649036,"HMDB0060803","2M-H","C18H21ClN2O",32.7,-2.534221119,"8-Hydroxydesmethylclomipramine"]
["8.31_256.0838m/z",256.0837914,8.30685,"pos",7.921900798,5.288192356,12.22952555,3.988889385,6.888347166,5.971885296,9.973177754,5.013992024,7.816431243,5.128946746,3.724567768,3.653344939,5.530837923,4.346053296,6.485930149,3.277017295,7.869522872,7.253408775,5.964129867,10.95015436,7.154791085,7.430396187,10.67568469,10.06847945,9.867350093,5.413193048,8.128723665,6.575109621,4.863358845,11.32180517,6.812709463,6.756498878,"HMDB0030400","M+NH4","C11H11ClN2O2",32.4,-3.946488215,"L-4-Chlorotryptophan"]
["9.99_656.4470n",674.4808561,9.987866667,"pos",6.493670771,22.53592293,1.597129295,8.158337976,23.45310858,20.55770526,4.340678836,3.53931813,24.42461763,12.67420773,24.41879328,34.0441031,11.27274324,7.513135646,21.63273708,22.44315837,13.90839702,1.444263997,4.274004365,4.663076616,10.69371785,8.876418189,0.867808422,3.20459905,10.05983935,11.56319571,11.01315643,14.16839444,12.06047578,9.477961018,12.16345309,13.30808402,"LMFA13030004","M+NH4, M+Na","C36H64O10",32.1,-4.444556384,"3-O-(2-O-(2E-decenoyl)-alpha-L-rhamnopyranosyl)-3-hydroxydecanoic acid"]
["1.76_345.1156m/z",345.1155945,1.7604,"pos",16.17251586,22.84604779,77.45632231,43.50207371,30.69350552,14.34413657,69.5314057,52.20507199,27.53014365,40.12914431,16.38404736,24.40889297,49.24025204,41.99825488,16.4322379,23.67508091,28.21238351,25.50156416,41.91569007,32.34776295,43.86526468,26.42777026,25.29387373,37.9724475,34.1497758,29.81185332,26.89409972,30.15479804,40.01819279,36.472465,30.61428947,34.94329648,"HMDB0001922","M+H","C22H17ClN2",31.8,0.848119692,"Clotrimazole"]
["12.52_722.5969m/z",722.5968516,12.52338333,"neg",6.736562224,9.212195576,4.346808531,5.571899599,6.716763205,10.49600526,2.395738508,5.42390345,12.22173361,12.25402298,13.47158595,11.69812784,8.781751701,14.23228025,12.60997751,11.60926229,19.94379841,17.9487975,10.77320894,16.06112302,15.50443035,17.44136493,16.06068889,11.38036959,90.8741002,105.0620268,90.64644393,103.9218464,100.457431,93.32559418,96.49667419,93.94396766,"LMGL02010315","M+FA-H","C43H71D5O5",31.6,-2.967171082,"DG(20:2(11Z,14Z)/0:0/20:2(11Z,14Z)) (d5)"]
["2.33_472.2442m/z",472.2441689,2.32605,"pos",62.5199582,41.73718257,35.52860223,43.77157439,25.22534011,41.42831011,37.54727318,44.56546834,35.67794198,37.50007253,23.98104563,39.92996044,24.79734568,33.46515123,20.63670838,36.88698776,11.59972014,69.07568492,15.3937435,52.30869811,14.11948452,14.81228517,66.64797523,18.47189501,38.12623069,39.39934912,34.11635466,41.11145793,40.89825007,37.51612064,38.51893932,35.32772043,"LMFA08020086","M+K","C25H39NO5",31.2,-4.183370527,"N-arachidonoyl glutamic acid"]
["0.59_928.5941m/z",928.5940996,0.594133333,"pos",17.08200083,22.17411472,35.15660513,23.08443073,20.54175129,22.1940174,24.23684831,19.03061369,27.94091256,26.22820299,19.56441927,19.1646111,22.39144897,25.946354,20.41318002,26.23248044,36.52566549,25.46222644,29.868093,27.08255798,30.26001723,31.95648958,29.69873628,35.44953483,20.29332115,29.20279196,26.77725938,24.07555685,26.77158285,28.94691679,27.03196076,24.92285364,"HMDB0012318","M+K","C48H91NO11S",31.1,-0.384685259,"3-O-Sulfogalactosylceramide (d18:1/24:1(15Z))"]
["9.96_365.0726m/z",365.0725521,9.95935,"neg",26.65776251,8.18056349,19.1086174,11.25785613,5.845036486,5.584944278,23.99043934,9.868642672,25.46091843,7.851005722,14.29377394,13.23325747,14.99245846,11.53422658,15.95925081,4.188220476,11.2686855,4.134245925,80.66333445,11.11016979,33.85796799,6.026804383,8.709775916,105.9618904,16.96155684,20.28906731,16.73827256,21.22178438,19.48859954,28.36726441,25.58344467,22.45207502,"HMDB0040985","M+FA-H","C10H24Cl2N2OP2",30.5,0.803380873,"Polixetonium chloride"]
["15.37_945.6765m/z",945.6764718,15.36995,"pos",1668.15238,1539.092541,1292.32329,1623.178751,2194.406654,1873.503948,1820.57035,1793.333879,2158.062268,1453.107064,1827.257587,1563.98583,2825.31635,2111.705199,2326.339947,2280.608251,2239.683775,2063.31948,2058.077952,3013.719743,2128.143581,2578.637156,2151.001287,1835.473737,537.3334862,1042.525691,1292.900999,875.5663666,832.4944366,739.4292315,744.5883867,552.4312846,"//"]
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