Quant m/z Other ID Compound Ret. Index Spectra Kegg PubChem 1016_a_0 1016_b_0 1016_c_0 1016_a_15 1016_b_15 1016_c_15 1016_a_30 1016_b_30 1016_c_30 180.9746533 180.974653296427_12.5314833333333 12.53148333 12257.86265 12075.6468 11499.87403 6781.945676 7094.024737 8769.479877 11694.93858 12155.92438 10614.45734 158.9706246 158.970624609037_21.216 21.216 19540.47213 19417.17442 19472.48716 18847.1577 18752.65218 19623.27293 17753.12839 17989.03035 17644.59563 162.8403519 162.840351857835_21.78325 21.78325 36223.33995 39047.04105 35328.5245 28690.13358 21712.94998 21543.5406 34820.18514 35543.56154 24120.1122 296.1026031 296.102603106317_6.89995 6.89995 7553.408301 7588.449478 7521.8591 7493.408061 6865.012054 7164.969171 7727.333292 7554.987238 7679.280776 987.6227264 987.622726411167_1.13521666666667 1.135216667 21675.28558 21482.64217 22116.41603 20585.66819 20569.84017 20389.15096 20145.46043 20566.19865 21699.15044 156.9929155 156.992915466045_1.3833 1.3833 27825.14858 26542.91665 25033.63492 27726.95133 26380.01139 28901.09643 30379.08609 30581.54432 28257.62543 526.1211705 526.121170538437_5.98268333333333 5.982683333 21798.46451 25703.86905 23223.34541 18987.4154 21814.84638 15654.12244 24317.17663 23670.60752 22545.43206 843.1432984 843.143298387299_0.9461 0.9461 13762.5046 13521.23951 16925.16967 19832.67697 16181.36175 20314.55203 17130.98767 17230.711 17333.53238 844.1466663 844.146666337815_0.934458333333333 0.934458333 3260.719907 2909.270199 3945.063609 4597.637067 4028.535403 3942.805157 4029.39969 4048.019316 3992.555471 197.8122939 197.812293850206_0.863416666666667 0.863416667 640645.3514 507300.3528 777950.8846 662184.249 882464.1267 759763.1669 939232.374 914069.2154 821535.3566 199.8091561 199.809156077058_0.863416666666667 0.863416667 259602.4395 265711.5564 306143.8811 258526.9143 347434.5759 290221.7086 362203.0128 355667.9098 327937.7728 527.1040035 527.104003532478_1.73791666666667 1.737916667 12880.83911 11655.5604 13466.0406 17391.18309 14409.33125 16464.17928 14877.52553 14862.62474 11517.12163 919.3354942 919.335494203626_0.82795 0.82795 3902.499352 3073.027946 3637.307849 2903.020747 2358.955558 2354.991514 2551.093403 3558.583685 3511.130303 135.0330925 135.033092531098_2.25771666666667 2.257716667 47858.32073 47303.36144 48118.42651 44345.87688 46200.64903 44027.81976 46317.22422 44502.41471 48256.18455 160.8436497 160.843649735862_17.8540833333333 17.85408333 108327.565 94161.07116 25795.46395 42142.61474 32469.96265 25210.33777 29376.8334 5682.267979 24337.7949 957.969873 957.969873030718_2.37595 2.37595 485019.3122 542685.5525 539328.7413 500102.0754 532008.4289 505198.1891 518734.9883 234476.5938 303024.792 158.9699497 158.969949702099_16.2357333333333 16.23573333 14788.14242 13779.82524 9574.308097 14020.58818 19357.17899 19150.14172 13785.07508 13674.66273 14199.86334 96.97190656 96.9719065605496_2.12773333333333 2.127733333 1523608.46 1464924.043 1565012.398 1548027.96 1508384.348 1564096.761 1479144.887 1434998.526 1482723.644 160.8434477 160.843447745405_18.784 18.784 44998.00786 42873.03851 52293.13246 4399.286191 40355.68363 23308.86445 34800.50588 5964.665719 24563.45102 158.9701492 158.970149168895_17.1455 17.1455 10569.60758 9169.467923 21229.44077 9551.365772 3824.793691 1998.878918 8882.908214 9801.528648 9208.445787 230.9933239 230.993323855462_1.649225 1.649225 18808.03375 18549.77013 19934.38891 17548.37909 16049.36391 10610.00737 16964.81595 17105.40829 20014.29713 158.9705187 158.97051870341_19.4831666666667 19.48316667 12670.1487 11672.86225 11962.7191 12533.86777 12666.88486 15178.68084 11772.46634 12153.3361 11429.36906 201.8058877 201.805887720839_0.863416666666667 0.863416667 44760.29158 34470.00931 47582.72649 67415.71096 61935.93902 49165.21328 42259.02865 63628.75521 51588.89051 158.9704805 158.970480452258_23.1716666666667 23.17166667 22409.53551 21872.09422 17491.54219 22940.48603 23184.45189 26557.47876 22298.30404 21411.90585 20339.86395 162.8403106 162.840310629495_20.3661666666667 20.36616667 5793.556318 25171.56917 21785.8456 7072.092531 4012.2155 13559.99343 31824.78708 23976.05012 14593.05283 160.8431733 160.843173318834_17.3404166666667 17.34041667 36473.17777 33445.43524 41246.89815 30120.13257 7370.11801 20408.41878 38070.73015 47976.17676 20476.14696 160.842784 160.842783997415_15.3277833333333 15.32778333 56404.61694 50198.74241 46831.60733 47682.59225 52706.17517 64951.15018 40750.29072 50679.082 29949.99163 162.8405446 162.840544627521_19.46425 19.46425 50950.78193 59384.54114 33287.85855 37359.96355 94945.84916 25877.40353 6681.55754 5526.461547 28123.45254 312.9576002 312.957600171829_1.66971666666667 1.669716667 7776.973869 6931.28843 7626.126996 8176.062847 6970.300586 8580.47363 6636.609515 6526.741675 7325.796379 537.0648689 537.064868937446_1.73781666666667 1.737816667 13398.59987 7871.760199 13068.87129 13213.72204 16285.64328 17313.18281 13545.45345 15724.56748 12823.66594 214.9980425 214.998042510568_1.6552 1.6552 30118.54415 29911.95982 22358.45739 25309.62425 22354.41456 20300.17756 23818.47956 23451.46274 21548.68775 219.0535358 219.053535798639_1.04070833333333 1.040708333 6748.69982 7736.740916 7050.618892 6544.613347 6043.174331 7000.535507 8044.361447 6735.843358 9404.271688 162.8397796 162.839779592218_23.7208333333333 23.72083333 36142.68075 42275.84677 47955.32549 29722.52411 17122.982 15344.26098 24925.8353 51878.53716 15283.42308 439.0886017 439.088601679544_3.12025 3.12025 51693.47266 49713.83852 49500.00876 50397.2952 50728.11386 48381.21845 49535.29747 43259.78948 47883.89689 174.0432584 174.043258382388_1.14725833333333 1.147258333 5031.710769 5052.44361 5128.124319 4659.403055 4955.721242 4962.857176 4776.990492 4918.580462 4076.237529 988.6266511 988.626651118697_1.13521666666667 1.135216667 11279.77778 11564.74264 11505.90556 11673.07106 11152.14331 11077.65528 10781.30882 10270.10386 11401.72273 346.0582746 346.058274620707_8.452825 8.452825 24973.37673 25768.39802 11135.5257 12131.47145 15322.8432 12805.81754 16493.23584 9638.083125 11172.70016 520.9120918 520.912091802763_9.68976666666667 9.689766667 51707.05627 48062.87344 50919.18714 63750.0282 56712.15888 51462.33276 57270.25154 57082.47819 50735.11418 91.00383655 91.0038365503296_0.603483333333333 0.603483333 887462.5581 1020337.105 1154621.738 907424.3873 873715.9669 815488.8694 900033.5037 1033694.187 1158045.546 452.9248119 452.924811948882_9.65398333333333 9.653983333 77504.9707 62327.18435 71084.49978 88284.32889 77323.12307 75539.23188 73939.69283 76430.74815 69291.53873 96.97179441 96.9717944096556_2.494075 2.494075 1090838.268 1075311.786 1141337.367 1130081.919 1058644.904 1156805.361 1029653.97 1012833.295 1099178.456 102.0575096 102.057509607883_7.05396666666667 7.053966667 33958.06102 33818.69957 34746.62478 38932.84668 33523.51578 38745.70459 34974.62185 34540.45078 35605.00092 162.840295 162.840294969426_13.4708166666667 13.47081667 149389.7908 130904.3393 89887.12352 128777.0487 148332.572 73572.527 34424.0583 126452.0654 2028.139548 80.97720429 80.9772042858127_2.49989166666667 2.499891667 666492.5566 1517456.819 873351.5462 678691.9906 1417503.803 920696.9556 2279162.95 2204843.506 898071.1926 160.8431243 160.843124323606_13.5063333333333 13.50633333 46161.31235 55886.05887 84406.81831 145482.356 151615.9009 79995.24023 150354.1906 144672.5449 46405.41614 357.0031917 357.003191703772_1.67243333333333 1.672433333 32817.30381 35499.19312 40318.17198 47393.40692 32458.00646 47461.68293 31864.01372 35777.74212 33935.10508 1065.925133 1065.92513340486_1.66690833333333 1.666908333 83988.72123 27581.36467 32883.97697 22555.77141 29476.27125 20545.80312 23166.22723 21409.4687 22471.96867 162.8402953 162.840295340002_14.6179916666667 14.61799167 4625.127054 12999.69155 13444.21482 25244.07119 21138.0859 12205.69389 21455.31173 46655.2338 14250.23324 239.8300621 239.830062148347_0.686241666666667 0.686241667 17912.85002 16676.75255 18045.97349 16385.45522 16348.9894 16688.08255 16684.64758 16772.86881 18394.35354 158.9704651 158.970465142127_17.559 17.559 12985.16384 11358.64916 2698.254896 12701.62363 16951.33065 13501.00895 12468.38585 12550.45094 11537.67327 160.8430473 160.8430472659_23.1713333333333 23.17133333 44235.80486 30033.318 25657.33342 56019.96872 81453.67636 26186.21142 20465.388 38989.65093 26117.40108 199.0402195 199.040219503191_1.67883333333333 1.678833333 11566.06476 10666.61869 9497.159987 9206.957953 10094.83222 9104.641277 9712.765913 9783.066137 10572.86972 386.9765192 386.976519216026_1.42288333333333 1.422883333 14847.36883 15803.53553 14632.39817 16023.59651 14946.28662 14255.90236 14046.74903 14873.18657 13284.14814 146.0659551 146.065955142734_8.15381666666667 8.153816667 7771.597083 8261.667153 7952.36176 8743.580999 7288.919163 8692.645124 7404.193915 7770.083817 7241.221326 289.0361937 289.036193678991_2.02136666666667 2.021366667 53729.06197 49190.03671 42610.45881 76307.43694 67224.68419 48551.34565 63815.08677 45837.37101 36267.07377 421.071524 421.071523960816_0.957916666666667 0.957916667 1842874.143 2034110.53 1859864.822 2282881.081 1930178.54 2073295.393 2047322.607 1960511.67 1899356.122 496.8658648 496.865864825586_1.41878333333333 1.418783333 29891.3828 29186.90698 28219.8825 33684.14211 31648.55982 30132.38628 30223.84954 30653.59242 23267.14063 160.8433465 160.843346511185_21.2693333333333 21.26933333 39208.26358 30377.19371 17423.32945 21607.77458 6022.451678 16925.21376 27158.74833 47884.83846 17374.76225 974.6289018 974.628901767318_1.07931666666667 1.079316667 13870.34633 13208.00877 15541.46599 14896.98896 12728.21044 14045.49609 12883.21729 11517.47491 13582.72319 404.109528 404.109527962039_3.21475 3.21475 13822.61664 13719.94817 13143.26673 14365.79213 14321.62673 13500.03359 13880.03395 13875.51613 13994.02966 220.9647064 220.964706390106_5.46656666666667 5.466566667 62934.75052 56642.27796 67951.81907 86090.51912 61794.90179 107521.2323 58637.0733 32856.65377 83508.99172 267.1485302 267.148530207455_0.662541666666667 0.662541667 4031.987753 5165.462427 3444.256962 5229.13354 4978.761806 13887.38416 5358.20618 4385.2373 3634.95773 364.9479375 364.947937535335_1.63146666666667 1.631466667 5603.699845 6967.500618 1422.239031 7026.142062 5761.039903 12332.75176 6646.658802 5999.505622 6584.041687 160.842895 160.842895038182_23.5245 23.5245 38866.69611 37489.17408 23436.92951 38221.00112 37037.61852 75766.68703 36157.73962 37588.41551 24338.65612 158.9703463 158.970346312_22.4285 22.4285 12349.64664 11599.58727 4840.076924 12085.54471 14990.74307 12473.63029 11154.8019 11523.59722 11063.81673 549.1690961 549.169096065954_3.87653333333333 3.876533333 9344.186785 10282.18022 9306.414938 12037.52929 9655.249167 10502.91956 10349.10394 10006.98748 9573.941909 160.8427577 160.842757654669_17.0981666666667 17.09816667 7787.326975 27334.37655 3490.020601 32280.13183 27052.32511 14938.88384 38545.4364 26802.70186 15412.842 259.0250674 259.025067383381_5.54245 5.54245 182593.8587 204666.1855 222242.6039 215254.6466 187871.4926 216802.9491 185620.4625 184706.9268 192395.4244 160.8430133 160.843013333762_22.1140833333333 22.11408333 43355.60083 30753.03076 42680.50484 36165.10767 31828.09765 22367.5455 36155.74643 34304.72981 21966.70116 967.0024718 967.002471784205_0.1727 0.1727 237270.7816 258853.3145 137979.5669 52087.47847 228059.5274 131593.6691 499779.9348 276518.6051 127305.356 440.0219931 440.021993074634_1.41881666666667 1.418816667 6331.132751 6554.800744 7058.773098 5568.315278 5618.507564 6199.273237 5794.25254 5847.241098 7656.393644 266.1534924 266.153492441601_0.66255 0.66255 10967.11913 14065.07746 8747.00964 13711.14986 12481.41761 39861.32804 15609.53686 10611.9318 10239.63615 128.0221539 128.022153949548_1.66061666666667 1.660616667 5038.118201 4873.987038 4285.118816 4821.300777 4732.298628 3986.758056 4969.19688 5084.545769 4864.782923 265.1507588 265.150758759355_0.66255 0.66255 114717.1603 149635.0591 100917.9857 151046.0506 137841.1581 473000.6896 177602.0216 114170.3991 116300.0681 956.9748377 956.974837694269_5.39236666666667 5.392366667 66715.01896 207101.8697 47520.8827 68536.83534 4482.163678 44810.46784 68772.87114 73552.41237 44596.10706 220.9649161 220.964916094953_4.11273333333333 4.112733333 31458.7415 28546.57425 29337.38745 31970.07223 29199.61765 39119.12022 31117.98184 30468.5786 29233.28403 857.5717093 857.571709287416_0.98165 0.98165 64572.7805 60919.21918 64782.41133 68184.05505 55901.84556 60175.66299 57609.61738 50957.58294 62734.29596 943.6428792 943.642879197697_1.04071666666667 1.040716667 28878.13778 25741.88828 26489.03497 26200.30606 30227.15079 26188.74346 28614.58569 30726.68009 28272.8441 155.8683111 155.868311138697_0.7571 0.7571 11051.57363 11019.10458 11619.20332 12031.35113 12867.86345 11629.20041 10300.08986 12629.64456 11443.77381 858.5746168 858.574616793656_0.98995 0.98995 30350.00338 28046.40605 29340.6629 31086.82209 25100.01196 27352.36551 26087.10758 23722.35838 28935.06415 160.8429926 160.842992583027_23.8863333333333 23.88633333 23598.98998 25371.3363 18725.98449 36986.70771 60427.35274 22613.32253 37818.43739 80403.86371 23427.87923 985.0374976 985.03749764954_0.43215 0.43215 106347.7821 90796.7061 133295.2416 98318.75008 107670.4364 66228.99768 173725.64 176367.0433 68093.65811 422.0118556 422.011855574006_1.44241666666667 1.442416667 10347.84718 9818.253879 11252.85054 11825.26022 10221.86344 11721.92443 10409.65544 11111.8361 9375.545512 973.6257554 973.625755383804_1.07931666666667 1.079316667 25267.82994 24512.44909 29809.04113 28585.11813 24207.1332 27092.55879 24602.80096 21887.36193 25702.21228 656.886167 656.886167015616_9.73753333333334 9.737533333 21612.82055 22927.72315 19784.90854 28012.99797 24220.86746 19920.44674 14033.44011 24815.66638 18678.12357 288.9994896 288.999489560419_1.4189 1.4189 12885.51424 13884.03201 13307.23203 12963.67933 11981.56266 13947.57415 13131.5855 12417.57623 11831.98065 162.8401754 162.840175408354_19.9908333333333 19.99083333 29419.35124 24333.47169 33579.326 39055.55849 29501.41243 20966.97538 39446.7884 60091.58051 25520.94508 422.0739739 422.073973855782_0.957916666666667 0.957916667 176432.9416 200727.8352 173216.5346 230495.1307 183756.406 198884.5172 201573.6772 191319.1631 177732.6769 145.0522278 145.052227787448_1.02085 1.02085 7840.719626 7676.98045 815.95269 8363.210214 8228.48731 11849.21454 8709.346353 8264.513179 639.0787326 180.9750294 180.975029416857_11.0485833333333 11.04858333 37897.9962 41407.40606 44127.30219 40532.58959 36956.86336 42791.71976 39820.75508 42704.44291 80382.57537 158.9734352 158.973435229337_12.9155166666667 12.91551667 4347.451334 4142.217185 5304.438599 3968.317339 4730.844581 4818.693841 4098.946328 4369.419265 3706.669893 158.9705697 158.970569686515_17.8306666666667 17.83066667 12878.10407 12096.62785 13727.28801 13009.52182 12126.37546 16231.83395 12648.91279 12178.31008 11728.96833 146.008418 146.008418041086_0.168716666666667 0.168716667 50262.94917 52887.77085 50592.29994 46072.83132 42229.49812 48465.32666 90159.71134 44062.00412 52373.83799 180.9747726 180.974772639812_11.375175 11.375175 28827.85136 28451.27095 27730.0769 27943.33299 26705.0523 26394.41853 28822.43042 26652.77125 19393.20101 469.0990223 469.099022266703_1.92688333333333 1.926883333 26557.68394 31415.13527 22943.48128 38064.71534 31541.20285 27975.59163 31036.791 31260.29272 20691.49492 144.9843551 144.984355079762_1.4542 1.4542 17354.92472 16680.48467 23579.19495 19115.70468 16704.1202 7232.912974 17764.24891 16064.6691 23218.20893 97.97636136 97.9763613630841_1.44241666666667 1.442416667 12209.50832 18625.80451 11127.75062 19308.93837 11817.90481 11219.39282 13128.00467 5419.369508 11183.58854 423.0708293 423.070829298674_0.957916666666667 0.957916667 80168.26845 88742.46562 81015.72254 102321.2302 82670.64734 88253.71952 90796.30576 85328.41551 80760.51436 160.8434656 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