Quant m/z Other ID Compound Ret. Index Spectra Kegg PubChem BM049394SC004 BM049394SC004 BM049394SC004 BM049394SC004 BM049394SC004 BM049429SC001 BM049429SC001 BM049429SC001 BM049429SC001 BM049429SC001 BM049411SC003 BM049411SC003 BM049411SC003 BM049411SC003 BM049411SC003 703.5749963 6.64_703.5750m/z 6.636783333 17663.18168 16426.72114 17444.22926 15908.02862 15593.77173 32211.9323 31093.03462 31299.90124 29802.40806 32560.88104 15994.3663 15880.8984 15308.79807 15590.50304 15117.65518 524.3705899 6.65_524.3706m/z 6.645083333 1449.234583 1353.37771 1340.392128 1477.78826 1270.007297 6073.668562 5843.675144 5951.389999 6068.081231 6045.512572 2711.139968 2511.810713 2606.886725 2279.148732 2416.175237 522.355651 6.66_522.3557m/z 6.661683333 1030.867731 941.1519559 1111.90372 1055.180652 1011.769153 3449.125614 3438.8676 3344.256957 3428.319018 3395.61069 1264.900994 1188.383189 1182.036404 1061.284871 1235.894335 796.6240647 6.18_796.6241m/z 6.18045 15941.63874 15192.50425 15619.8278 15282.11882 15506.866 1910.514652 2019.518078 2017.906545 2082.006824 1980.554251 1723.824959 1856.589268 1751.691349 1558.577624 2022.106894 135.116879 1.15_135.1169m/z 1.1524 8445.45446 8448.786146 8331.893242 9125.876742 9319.203478 13657.9993 14466.07389 15216.48723 16237.38328 12605.98043 44501.36322 55865.44496 54275.40199 49749.60139 48536.92713 766.5737387 5.35_766.5737m/z 5.35075 130931.8565 121244.7858 124876.6977 117923.1681 114137.8012 27006.87985 26588.96993 27629.47008 26033.83563 26657.16745 25876.53392 27112.09751 27142.60559 26634.88552 26062.38019 820.6161243 5.35_820.6161m/z 5.35075 55483.70367 49503.26989 55499.69958 48120.63519 46471.54581 6634.072068 6570.672654 6505.856009 6389.890694 6720.999063 10931.48456 11264.54222 11398.39679 11228.95737 10791.04588 761.5886915 6.12_743.5838n 6.122366667 172379.463 165176.4072 172638.2189 162493.2623 160776.2559 58395.36267 58274.92039 57903.50707 56897.20732 57481.66294 55298.41652 60784.86037 59691.00906 60080.5736 58127.60451 716.5232272 4.75_716.5232m/z 4.745033333 11749.05032 10527.26148 12415.45459 10569.65022 10371.18459 6519.058108 6426.705901 6478.655355 6215.18681 6354.742218 1621.81038 2415.330633 2447.003712 2438.011362 2488.649857 700.5277972 4.70_700.5278m/z 4.69525 13335.41312 12417.61169 14708.74924 12004.87912 11998.10041 4897.573863 4728.946262 4994.092492 4431.514546 4923.086388 1261.05903 999.3577862 891.1256808 956.6693943 1094.818129 104.107281 5.96_104.1073m/z 5.956433333 110527.2206 108881.7462 192977.4536 110068.5045 109239.457 38463.54665 37224.5304 37306.33059 36680.03039 39318.7721 19136.57878 19169.80402 18703.39585 18284.47134 18302.2584 538.5174949 1.13_538.5175m/z 1.127516667 22562.62493 21776.02448 22972.18925 21363.18876 21731.09373 10011.65498 10009.50477 9755.59847 9556.453006 10171.40136 3569.705821 4782.666032 4421.379293 4180.83959 3656.240088 850.5548769 5.67_817.5979n 5.674333333 106236.6721 98449.27677 118195.4513 98633.78681 96593.81815 43398.64858 41266.26616 41502.58173 39525.95738 43554.62882 33357.49051 40574.55682 40611.96556 40282.79705 39116.08301 718.569066 5.65_718.5691m/z 5.649433333 7702.287783 6748.263161 6723.39169 6816.91352 6309.705031 236.1256911 207.03369 184.5163738 250.7067152 295.9032635 251.9003222 199.2093231 232.7277702 191.7249222 251.9678983 758.5699684 5.55_758.5700m/z 5.549866667 1152582.138 1068726.672 1060384.099 1042156.433 1015967.944 330687.2068 330976.8081 332406.8966 324046.0667 328998.1767 417744.5613 408307.0273 406686.2757 397438.725 386766.7246 428.3731805 5.52_428.3732m/z 5.524983333 2839.140002 2653.564891 2631.786225 2643.306308 2554.212607 778.7626947 888.6639847 919.5173262 873.8493438 827.7220102 617.2859066 744.7681819 719.1526117 668.3068471 654.7747421 772.6230978 6.53_772.6231m/z 6.528916667 87673.15601 83320.29192 95394.63787 82059.94549 80849.42104 16920.74781 16725.08284 16858.62232 16353.54981 16503.44291 12306.8931 12830.8364 12641.16476 12749.78838 12782.74934 808.5853269 5.33_785.5961n 5.32585 1065715.378 991364.7829 1003904.317 953909.3478 929047.4736 231371.4098 232168.0379 230945.7342 222621.0609 228834.9553 450344.6027 475357.082 468043.9292 461849.9602 446873.6663 866.6396398 5.34_866.6396m/z 5.34245 11619.89145 10697.67207 10126.92353 8984.620251 8282.833734 907.7257256 807.6209739 791.5466779 898.6902696 908.3022318 2350.513836 2561.773603 2704.870407 2600.581784 2504.902202 790.5752967 5.29_790.5753m/z 5.292666667 28184.92385 26179.68347 28230.91278 25090.39695 24405.83412 3529.228257 3370.054893 3494.841811 3195.139273 3609.901669 5572.594257 5587.847444 5180.120109 5151.005074 4944.502393 858.5999272 5.23_858.5999m/z 5.234583333 27300.69484 25391.88923 27675.80498 23901.73478 23438.62787 3563.156621 3442.108615 3523.29291 3349.525098 3560.502273 12210.47785 13561.85329 13236.89451 12946.61218 13105.73369 746.6052995 6.55_746.6053m/z 6.545516667 361482.041 341008.8456 405918.0436 336271.8289 331338.1794 29212.40719 29851.02661 29559.80965 28594.36359 29603.1486 29940.49704 31958.90873 30812.66534 30637.70298 29885.61035 788.6159546 6.55_788.6160m/z 6.545516667 72225.89831 68797.52435 78083.92094 67595.86482 67722.85867 41401.72271 42047.70104 40954.15257 41004.94562 41106.77747 39110.46385 40777.17007 39705.60409 38806.73807 37782.66458 297.2431994 1.15_297.2432m/z 1.1524 15829.16446 15950.61246 15356.15134 17110.94688 17131.98661 26175.63034 26326.91172 28403.76661 29440.05131 23483.33996 82619.85984 102125.7302 95792.24845 89961.66977 87115.71611 806.5685885 5.29_805.5613n 5.292666667 180310.5681 165312.1599 188500.3424 156913.2728 152253.9771 34510.24185 33966.37047 33806.30733 33517.39677 33742.13514 58287.96848 60959.0823 60922.60372 59928.82593 57708.54548 792.5893994 5.35_792.5894m/z 5.35075 70555.8379 65942.58334 68044.73581 63764.59361 61817.20546 6982.70176 7457.618358 7509.137079 7142.042019 7324.051431 13429.77498 14289.74863 14112.23321 13763.9373 13756.66573 832.5832433 5.27_832.5832m/z 5.267766667 50388.08939 46148.59143 55427.54753 43417.79128 42092.6445 7133.587217 7396.486292 7114.262865 6771.504966 7239.236815 14418.56731 15748.46247 15644.66692 15315.76229 14975.99319 742.5736147 5.51_742.5736m/z 5.508383333 89394.77256 82559.06954 83693.19473 80086.26337 77159.79484 9736.380438 9129.874591 9242.489287 9164.207461 9647.6956 12862.6147 11828.3232 11731.95793 12031.2082 11529.36357 732.5535082 5.61_732.5535m/z 5.60795 75773.25388 70154.19944 70475.72504 69151.19145 67041.69123 12963.23478 12736.71433 13469.32137 12693.13635 13237.14677 24422.01572 20573.25205 20061.87179 20315.41462 19432.66291 720.5893963 7.03_720.5894m/z 7.02675 119097.928 114193.4055 124791.026 112412.0049 110567.6782 9209.345148 8628.212881 8675.007013 8205.589274 8635.733398 4568.190379 4706.860141 4859.916462 4658.641361 4238.053034 636.4043479 1.33_636.4043m/z 1.32665 658.1212159 710.3012244 723.887383 695.4417871 582.0225506 20992.80271 19939.53509 18338.09386 16940.0225 22120.20844 1691.950175 3608.98974 3158.728953 2811.096648 2732.264314 279.094166 1.31_279.0942m/z 1.31005 2444.970654 2517.354481 2675.333957 2639.895761 2652.537788 2129.764696 2292.897283 2300.544944 2472.904774 2047.405921 11858.44835 15483.28718 13348.93984 12239.54341 11598.87787 376.3043849 1.19_343.2709n 1.185583333 24644.53433 25644.21678 25290.80417 27555.19815 28372.09523 30893.16725 32491.82196 35017.48489 36917.20224 27565.17195 320504.5147 341312.0437 312688.6062 282204.1344 272051.8774 863.6317794 5.39_863.6318m/z 5.392233333 8898.271009 8318.692352 9294.225143 7722.284521 7397.746199 884.1871877 888.5526743 816.3684103 774.8486361 646.7905662 3625.598651 4082.692175 3735.868486 3691.319992 3485.935912 728.5200786 5.73_728.5201m/z 5.7324 5847.677369 5470.393219 5904.717105 5533.419492 5423.561204 556.082126 550.2573976 664.9937978 468.9688879 498.3566651 601.5247405 754.3418403 798.1125478 709.3489755 823.8377968 720.5935192 7.04_720.5935m/z 7.03505 32553.54674 31532.96354 51125.33942 32275.98729 31689.18676 2564.231829 3277.71163 2726.661327 3015.21518 2430.000942 1914.878657 2188.219722 2169.803934 2250.29596 1871.209178 794.6015982 5.43_794.6016m/z 5.433716667 247039.8231 229483.2134 235195.705 222391.4443 215883.5996 39703.0696 38988.53 39377.41785 38200.20432 39743.08145 44677.22553 49406.80899 49425.10474 48823.23692 47460.0393 706.5399088 5.80_706.5399m/z 5.798783333 25980.32499 24829.76501 20776.21016 23910.549 23714.07563 2554.698075 2539.677513 2524.119636 2564.28597 2693.475747 3020.735241 3811.986466 3620.03931 3590.363107 3603.546315 840.6251658 5.38_840.6252m/z 5.375633333 31342.24204 26594.31607 28654.86368 24306.57267 22588.48823 5536.631094 5452.200263 5634.026169 5066.88374 5326.167858 6548.073023 7112.504327 7341.875768 7281.596084 6603.764153 246.1705608 6.77_246.1706m/z 6.769533333 4144.184285 4065.870899 4642.913697 4165.288728 4061.725168 2492.469334 2446.531174 2527.567321 2395.429974 2555.059021 1883.602225 1922.317726 1688.947285 1759.88542 1723.25986 770.6021338 5.77_770.6021m/z 5.7656 18477.19588 17574.28418 14716.41554 16735.59403 16771.86789 1646.130091 1396.533713 1494.469601 1335.198789 1615.71288 872.2815857 1109.341364 1277.377673 986.6433944 1176.683292 782.5701802 5.38_781.5629n 5.375633333 2148127.448 1998677.899 2018784.456 1931785.683 1892979.087 1038224.52 1034177.871 1031322.974 1003745.458 1027749.448 1044220.113 1111730.705 1100034.91 1083291.094 1049068.925 748.5275419 4.59_748.5275m/z 4.5874 212887.0694 196432.7923 241101.7192 193600.804 191836.0217 57337.6747 57288.00974 57262.36501 55569.4328 56935.47703 17581.61724 29074.11126 29141.93728 29626.49757 28016.4991 834.600089 5.32_833.5928n 5.31755 189173.8076 174716.5615 181466.1278 168124.55 164423.442 28514.00751 28764.74629 28809.58925 28007.30792 28250.47229 98836.66009 103200.086 102166.7499 100402.168 98220.70891 730.539138 5.50_730.5391m/z 5.500083333 14853.60422 13585.51166 13406.54991 13386.18431 12791.04337 984.7508043 962.2280084 1001.435058 913.5037475 889.042032 1664.762974 1861.714842 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15344.2862 13485.09535 46025.60366 56574.81317 53266.17634 49934.77886 47422.19555 890.8141886 1.21_890.8142m/z 1.210483333 70.56574969 98.05177968 99.31272002 71.41783021 46.31292766 1294.502922 1269.373704 1141.507224 1149.378178 1261.162482 3960.115271 6176.360158 5435.532219 4536.999198 4238.096384 724.5270054 4.61_723.5197n 4.612283333 50239.27049 46297.88895 57065.3738 46157.51497 45434.68494 20317.98071 19958.84919 20638.86872 20289.43608 20196.27489 4646.042203 7755.728309 7871.556468 7806.259532 7169.532899 813.626402 6.19_813.6264m/z 6.18875 11572.95458 10969.14765 11378.85152 10719.94184 10642.88115 2733.29156 2885.984777 2739.999222 2746.475343 2654.613175 3999.356964 5216.905283 4867.732614 5208.77164 5027.807397 703.7059794 1.14_703.7060m/z 1.1358 235.2850152 208.0307057 155.2284177 197.3640351 124.6392445 202.7775344 150.1778437 123.4488694 105.9810245 260.9569288 19352.34689 20655.38587 17628.39436 15057.07328 13259.34609 886.6330774 5.28_886.6331m/z 5.284366667 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