Quant m/z Other ID Compound Ret. Index Spectra Kegg PubChem 1016_a_0P 1016_b_0P 1016_c_0P 1016_a_15P 1016_b_15P 1016_c_15P 1016_a_30P 1016_b_30P 1016_c_30P 1168.767917 1168.76791688317_7.60166666666667 7.601666667 349318.7377 283430.9507 243072.4076 80764.03967 89110.4052 82331.948 93007.59653 96473.68451 N 929.6525448 929.652544837337_1.10596666666667 1.105966667 56120.77045 54238.13349 48785.39105 18907.37267 21461.82962 33755.65518 55252.69768 50659.6852 47303.25801 738.4677823 738.467782288399_4.56791666666667 4.567916667 103072.2211 53256.43295 95101.46683 85881.71403 103806.7791 110243.3656 188065.3942 189853.4355 236364.0617 406.0577722 406.05777216988_0.973966666666667 0.973966667 17588.03268 17603.78286 18257.9637 21367.42579 20269.92917 20671.80744 19835.93192 19748.29727 18702.90402 415.1972595 415.197259499253_0.9546 0.9546 157617.4886 213188.0756 248598.7035 89572.59196 72002.37862 81503.97179 77364.6163 68789.72929 80881.8095 416.2011123 416.201112275573_0.9546 0.9546 40371.04018 53959.76415 63551.26641 23607.23598 18681.78681 22355.39687 21494.77762 18595.63915 22141.76241 694.1140828 694.11408284521_4.17136666666667 4.171366667 41213.59001 40601.87363 41691.68461 37377.0466 32979.48772 34861.81818 34543.01453 35734.65932 35647.06777 899.2387341 899.238734133904_7.16541666666667 7.165416667 18835.10454 11246.71269 35693.7526 40935.78993 45502.15057 42592.67045 6842.902683 6525.812862 N 123.0106968 123.010696759378_0.486841666666667 0.486841667 50359.08864 42700.34795 57543.31553 27348.567 30179.29318 20839.83025 29703.30045 26709.3455 20385.62804 1193.114535 1193.11453478157_7.98116666666667 7.981166667 93140.79259 109981.1382 134398.3973 137711.5076 130644.4875 121678.1027 58045.6603 50640.12625 N 881.8673603 881.86736028417_4.17123333333333 4.171233333 14988.41545 15680.4498 14497.91952 16180.36888 15406.57854 14661.00345 11184.63893 13465.27245 11529.40002 356.0816904 356.081690381712_2.16684166666667 2.166841667 23427.55823 22566.6471 24834.23774 31033.98576 30379.07776 35007.58482 29637.9182 36344.14645 32249.83958 191.0408022 191.040802210097_0.143416666666667 0.143416667 1534991.572 1561797.138 2033369.802 1524794.879 1527100.055 2156110.626 3026724.528 3119608.977 4445025.077 1097.358381 1097.35838058101_6.44835 6.44835 23373.55847 26189.06543 20933.18389 43769.20204 32206.5785 47848.71102 26609.91158 23207.42617 25178.34842 420.3040994 420.304099443139_1.05925 1.05925 36921.74414 36625.88864 36610.36467 37229.89467 37422.08805 37517.77166 36297.77587 35437.68194 34544.35257 691.9266277 691.926627707988_5.29236666666667 5.292366667 21572.4735 22037.51198 20932.92133 23597.42911 19951.64638 21418.15495 17221.79701 18292.13795 17916.53189 769.1569406 769.156940566068_5.51785 5.51785 22581.49223 24572.92227 19886.47641 22318.31201 19420.10087 18713.20462 27823.92925 25892.79919 26921.91592 825.2021463 825.202146263587_4.18166666666667 4.181666667 46224.89512 48649.74405 44537.11604 39766.86647 34706.23036 35520.91407 40783.64592 32480.8505 34100.42815 947.626438 947.626437976106_8.02705 8.02705 45209.83711 60305.93739 77673.20218 103716.0329 82094.14618 84621.38493 45345.28145 31276.52221 N 717.7784379 717.778437914971_4.34674166666667 4.346741667 148917.0812 161231.7484 149282.1231 159827.3383 180310.6162 174184.0555 176425.1755 181636.5158 188848.1969 871.3791123 871.379112336447_0.826883333333333 0.826883333 12974.32119 12208.4256 13542.90166 8753.709955 6788.573299 9723.309973 13679.93397 11321.26269 10595.59929 859.8090719 859.809071933621_8.08125833333333 8.081258333 4620.654402 11424.07196 13281.42976 23079.89044 27723.49173 14308.43949 4403.570382 7161.374397 N 315.2497603 315.249760262979_0.954533333333333 0.954533333 14044.4067 15020.12287 18241.40221 13622.52815 5825.206599 9191.418336 7717.35118 6503.243798 5771.089133 417.2110765 417.211076479051_0.96345 0.96345 8697.946361 11792.0526 10798.48655 6789.649691 4909.125381 9621.545792 4776.809968 4185.229946 5150.889629 161.0838911 161.083891139867_7.216225 7.216225 387411.5512 33042.44017 379142.9916 537435.6842 381429.4574 419287.4058 38540.08226 29795.39069 N 839.0424892 839.042489205381_8.04576666666667 8.045766667 14339.62803 24666.7054 32748.63743 30082.34817 53355.26717 47132.83725 17164.0189 11974.5843 N 1101.01782 1101.01781954439_0.113591666666667 0.113591667 15724.20437 17720.22906 21094.08843 14559.97824 15988.688 20717.96199 33037.72752 32873.16073 22823.43619 940.6132128 940.613212793797_5.55391666666667 5.553916667 89073.61428 115196.0663 96842.80093 67381.15608 79115.3367 64283.40787 91270.34223 85751.96605 95395.24846 644.7229492 644.722949185654_2.56351666666667 2.563516667 148899.1878 175084.323 150389.2788 196688.8482 203739.4808 197926.9279 155780.3133 182038.9075 144414.5305 862.5504877 862.550487748423_1.97255 1.97255 69161.79209 65087.96356 64039.48723 54764.67239 55673.98115 61059.58476 64601.32659 62476.05794 60391.28678 1004.664927 1004.66492725994_0.8986 0.8986 25159.93544 25057.28431 26013.46025 21394.26438 20076.91569 24966.051 27948.91188 26459.23756 26752.82573 654.4474473 654.447447307604_0.928833333333333 0.928833333 15492.23312 13909.27992 15623.95528 11076.09589 12214.66124 6974.637204 16736.77116 14824.14848 14342.91111 931.6641321 931.664132099491_0.96345 0.96345 2242.033826 1822.609389 3481.982179 3709.201337 4840.303281 4567.826426 4804.082603 4547.216192 3797.417298 602.8920642 602.892064208993_1.6399 1.6399 31296.18056 27893.43204 30615.57171 42895.96875 40302.27973 50934.42042 41591.981 30978.79899 32317.4025 996.1250041 996.12500412049_2.8097 2.8097 242502.4866 284828.8313 205386.6121 163920.5611 173646.2683 190688.461 172820.0154 177375.5275 184683.7028 843.0385713 843.038571280194_4.19385 4.19385 43632.49197 44623.25759 43176.56888 36342.30473 31374.03038 37846.76124 41478.57441 35567.63809 40717.30461 788.5074107 788.507410650404_1.74841666666667 1.748416667 9581.844245 12211.72297 10390.41949 9211.99263 9064.375951 8329.517367 8384.897504 7944.623641 6542.649236 937.32694 937.326939985969_6.90641666666667 6.906416667 24610.4398 25028.86051 15856.67952 7740.899187 14774.14501 7512.957909 14635.28373 12862.08974 13234.39052 1028.342969 1028.34296850767_7.769325 7.769325 399415.8958 288310.6084 287554.4715 580357.6958 318670.0854 330066.7056 160721.4184 118150.9864 N 1044.352988 1044.35298783048_7.5416 7.5416 93504.68255 94145.85346 134142.1878 205238.4894 146148.5679 140231.5588 86446.85695 68028.35464 N 990.9618939 990.961893889348_6.34956666666667 6.349566667 110129.0986 115996.4488 103426.034 67141.90545 55136.94776 102294.616 72114.02538 63855.88563 51842.90115 682.520332 682.520331975854_0.944516666666667 0.944516667 9034.780855 13351.97059 11881.66311 20858.64376 13518.78895 17289.35304 22995.29286 17556.48738 20588.11961 822.778483 822.778483043304_7.50184166666667 7.501841667 14844.69096 26009.19985 30231.41397 42220.93861 49346.30232 34665.35057 22245.75829 18622.79084 N 98.05725262 98.0572526150586_7.9171 7.9171 136491.8736 111858.8393 114487.7928 125347.97 197236.5696 224273.5909 34436.89445 106435.1603 N 968.122068 968.122068025943_2.668725 2.668725 270873.1847 299665.0781 221067.9779 166115.2116 267960.2801 203927.7768 173844.9717 119280.3339 115726.3991 241.0610141 241.06101405651_0.137408333333333 0.137408333 N 59601.4005 61400.70447 N N N 55985.03392 78576.6317 122557.7849 845.1501353 845.150135300759_0.96345 0.96345 28729.62698 27085.05986 31818.79919 36815.49282 32569.07747 38852.2999 34213.99385 33992.20395 33798.88598 1064.751304 1064.7513042876_1.035625 1.035625 11131.4386 8490.797096 9710.045751 10517.79573 11476.1594 8452.859798 6941.319372 6544.329306 7120.388787 1193.768948 1193.76894795202_7.93345 7.93345 137878.571 130559.6819 123252.6478 124414.1133 196077.81 151212.1839 73530.68598 91784.10103 N 1063.356544 1063.35654373649_7.53295 7.53295 36462.96906 54440.96335 61741.68426 44114.62763 82849.28879 65373.13523 30441.62856 20399.94599 N 838.0518419 838.051841879472_8.02705 8.02705 19796.9755 27830.77946 46446.59508 41649.23681 78625.93759 56873.83902 25339.89608 16135.64797 N 585.8962269 585.896226937482_1.0671 1.0671 7789.571987 8808.521872 8790.12093 8973.504254 7149.183394 8397.19962 5802.476632 6498.200388 7056.825849 815.2780992 815.278099171825_6.73866666666667 6.738666667 8465.64572 7915.209394 3197.45675 3423.922023 4619.898611 1288.412195 9050.426264 8217.844972 9484.988641 1076.344492 1076.3444916645_6.75921666666667 6.759216667 159378.445 130481.3414 181601.8944 140382.2013 117250.6785 62888.0834 87459.25157 71708.65963 36376.50023 710.1218423 710.121842330979_4.41705 4.41705 50804.71637 61625.41851 60494.8283 34852.89205 25092.0396 35851.67139 36071.09958 53445.85789 61771.27454 448.3346476 448.334647585842_0.8588 0.8588 6319.767302 6758.430197 5887.676784 9872.9974 7065.157029 8759.139764 9544.093575 10272.79559 8137.755958 906.6354066 906.635406605955_0.9771 0.9771 26637.36745 31393.17101 26461.41966 33065.55344 30085.0357 28927.05304 9859.391389 16201.61671 25324.45645 1188.109862 1188.10986210033_7.87393333333333 7.873933333 73354.80054 89097.15234 114052.2457 91150.93103 159117.6194 168047.3027 76220.87367 36644.82358 N 185.0762409 185.07624089383_0.1424 0.1424 N 38028.05397 46035.74834 N N N 45613.91621 35099.22077 44180.42616 1100.046548 1100.04654768361_6.96369166666667 6.963691667 78730.16697 69542.325 78997.96801 83566.61946 93692.79164 115141.7398 69438.45601 60969.20033 32496.50215 1199.473566 1199.47356587603_8.01965 8.01965 111430.7393 125626.5522 172134.8027 180076.8605 177336.3108 254123.285 134600.8191 41843.19528 N 323.225982 323.22598199342_0.897 0.897 15440.10204 14637.90854 17729.95683 25546.93321 22564.60752 30449.43172 23473.13897 23392.59833 34067.47577 387.2735075 387.273507466198_1.08563333333333 1.085633333 71339.43183 78980.81594 57960.06767 45383.55858 40104.28673 55016.57614 41459.86678 48877.24035 56851.15518 1105.034881 1105.03488069052_6.86528333333333 6.865283333 129611.9617 209832.7127 275609.1286 176043.3918 250950.695 289886.9609 106356.7957 102670.5732 28429.93991 1053.73347 1053.73346957851_0.932708333333333 0.932708333 34360.40474 35370.89895 36051.08072 34080.22588 33611.6726 32544.58061 34729.42325 35653.43351 34939.16015 846.1536181 846.153618134363_0.962483333333333 0.962483333 8597.632795 7927.325127 9823.260602 10494.38567 9938.537678 10782.50894 9970.404961 10347.34653 10863.7247 149.979344 149.979343972668_0.121483333333333 0.121483333 40442.25134 29413.4359 20071.20953 N N N N 27537.33627 N 892.548265 892.548265015492_6.6282 6.6282 27831.47251 26415.19821 24953.18866 24896.60276 32294.45548 23504.92708 20548.14241 19388.88536 12502.04734 821.5284023 821.528402284226_8.01763333333333 8.017633333 28072.36437 31898.05527 37222.3249 38867.73614 47730.86096 38774.10261 23864.045 25736.04494 N 1060.344246 1060.34424560814_7.95726666666667 7.957266667 156566.0074 140020.5234 204218.6515 144613.3102 167225.1208 188309.061 116622.0004 83784.85462 N 804.7645858 804.764585759828_7.51013333333333 7.510133333 47835.93312 58117.11647 61196.77591 74811.60974 75156.00659 98998.21438 50507.31457 45788.395 N 961.0680365 961.068036549534_2.23081666666667 2.230816667 18412.25683 16615.60428 16896.36749 20198.87509 18126.65937 19399.45649 17534.49169 16561.04585 15393.42259 677.9450782 677.945078224914_2.01045 2.01045 70606.78363 44809.97599 119370.7921 170313.5918 143637.9495 119763.4853 169002.7282 152775.4415 126264.2878 628.0791172 628.079117188028_2.80221666666667 2.802216667 30056.09004 31459.39244 26777.95041 25556.84957 25136.07616 24154.90917 26942.18644 23553.94802 26232.7431 182.067449 182.067448988005_0.1424 0.1424 49232.99163 47069.80747 30059.55644 N N N N 49550.0684 31039.05468 484.3216303 484.321630297802_0.8739 0.8739 26579.05257 29242.25719 29236.69304 24539.32791 19319.63737 20694.88143 39314.4446 28064.43996 29233.85493 510.6305462 510.630546167995_2.2292 2.2292 13563.1957 14546.17773 14363.12326 13181.99891 12370.35135 12298.0542 15217.70276 13590.19957 13747.31267 856.3267673 856.326767331399_9.58829166666667 9.588291667 17056.67815 20238.5198 24286.11838 35395.4977 18242.5172 41472.90362 10926.89151 15051.8435 N 1189.279449 1189.27944894491_5.97625 5.97625 174257.482 229761.3701 191356.6894 135892.5205 165593.0002 133494.8516 165992.3038 180232.096 169162.639 253.1113996 253.111399564191_1.805 1.805 17737.45064 16461.87566 15934.08977 13137.66251 17626.2323 16082.32717 13849.90405 11781.05851 12428.24048 1061.691757 1061.69175746073_7.91616666666667 7.916166667 80114.02861 163635.0348 140877.0096 239034.9964 267853.879 142693.4812 118068.3073 74388.29334 N 812.0536076 812.053607556031_1.1398 1.1398 7895.902333 8485.889727 7777.39374 7514.837547 7387.571613 6848.275197 7672.797256 7701.988703 7729.487734 1083.045105 1083.04510475257_7.99703333333333 7.997033333 44184.44867 58460.7281 111090.0154 90070.97061 155140.369 107350.9509 51682.35832 41642.27461 N 710.0655534 710.065553406492_8.10933333333333 8.109333333 13120.1013 22481.75062 24964.15087 37969.06723 22727.88766 54139.97441 18227.29255 8679.796139 N 546.3177505 546.317750500169_0.733208333333333 0.733208333 7490.92113 5102.87828 8411.716365 6130.221585 5151.625692 5005.205502 4725.891559 3963.641609 3436.058434 684.9553695 684.95536950546_2.01045 2.01045 551633.1876 221791.206 1380540.926 1423661.19 1506171.527 1650246.77 1466794.139 1584525.222 1545633.553 1158.802514 1158.80251372712_1.00096666666667 1.000966667 23132.03321 25512.17101 24977.9666 21312.35046 21234.26306 23163.72799 25971.24678 24763.50426 23488.85461 789.012297 789.012296978626_1.73616666666667 1.736166667 11481.42947 14007.57861 9376.044733 45136.76608 41801.03221 68694.19824 9218.670317 43154.5935 50110.85646 170.9644737 170.964473711007_0.6032 0.6032 27808.19792 20356.3157 34609.7278 25216.19102 23620.62738 32917.41041 84920.03673 83435.91262 33879.25393 843.770381 843.770381017881_6.4635 6.4635 14984.24049 19389.79918 17352.61898 14376.78426 15364.55573 17467.6382 14546.4429 10716.66113 8397.448957 953.6213285 953.621328473335_8.16625 8.16625 13845.09107 13431.86788 17154.55099 20698.73416 26249.82538 16468.53817 6582.106526 14976.46277 N 820.5320047 820.532004723974_1.66021666666667 1.660216667 31598.58836 52253.19366 64461.42822 43719.98185 46589.11637 61399.56203 24065.97677 23071.33735 27000.03201 733.4398165 733.439816549436_1.99551666666667 1.995516667 131193.445 45765.37034 251042.3786 86768.77421 133054.2196 245321.5788 322270.0667 334497.0694 309459.8825 460.3026286 460.302628611707_1.11758333333333 1.117583333 12660.20125 10925.05616 16125.172 11068.1538 13728.26216 16523.53292 18218.29713 19787.03795 17930.55104 794.7598583 794.759858275543_6.52088333333333 6.520883333 16792.83182 19263.59612 16603.29105 34386.89422 31905.39823 20498.95077 21465.90384 17372.85877 12095.89302 407.0550274 407.055027363182_0.96345 0.96345 8605.431266 8205.28132 9931.546633 10724.46209 9882.946857 10249.43313 10087.80628 10087.90898 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