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 118.0864707 0.95_118.0865m/z 0.946816667 50562.98597 49252.99334 49931.70465 50434.3572 52527.12318 22384.19652 23235.85714 23346.01355 22294.12291 22839.20865 5273.81001 4990.635656 4916.260128 5219.331442 4957.736707 332.2789295 10.35_314.2451n 10.3474 27401.11766 26595.31784 27326.16763 27394.1981 25894.92299 23993.75114 25585.8736 25629.14046 25356.51729 25726.7848 5504.001474 5793.500572 5958.164033 6133.701378 6041.763312 104.1070579 0.95_104.1071m/z 0.946816667 33600.08352 32903.19143 33318.52744 33714.85181 35200.20732 14930.57293 15298.03925 15505.05596 15317.94053 15197.8389 9141.927616 9307.273587 8884.465572 9559.487298 9490.089336 137.1076552 1.36_137.1077m/z 1.361666667 411.367883 382.3668432 302.2933091 370.9695188 397.8595108 0 0 0 0 0 0 0 0 0 0 191.1796662 10.43_191.1797m/z 10.43036667 9742.737327 9393.702188 9118.776301 8954.718954 9294.377344 7796.613287 8229.812137 8610.866726 9008.46459 8915.429598 420.2857267 458.6004652 413.909376 478.3426211 510.0457483 203.0530199 0.96_203.0530m/z 0.963416667 1197.472221 1004.08214 1007.886006 1052.785502 1168.618373 22567.56333 23914.56955 23297.70196 26855.28016 24327.23277 6069.122655 6309.987485 6018.481171 7086.398116 6905.426827 808.5848943 18.84_807.5776n 18.8436 475864.5193 487006.1107 494809.4008 504992.7914 498281.9606 70583.98984 62720.7232 66498.78688 66976.94285 68698.01263 185972.1259 178890.7886 169449.5087 168921.2017 155898.9476 191.1791354 10.35_191.1791m/z 10.3474 7284.704876 7267.391914 7289.193533 7086.683871 6796.436579 5899.9141 6337.621801 6393.424888 6386.145819 6809.879581 310.0265334 374.9903113 343.8395278 437.6445161 383.0689891 123.0553923 2.14_123.0554m/z 2.1416 32083.70083 31718.53974 31428.39343 33538.97162 33465.51402 10595.29362 11173.55108 11644.86481 10555.6379 10806.1924 37457.21783 36988.15818 35064.90557 36848.08644 35721.15039 198.0974238 0.94_198.0974m/z 0.938516667 763.0209111 768.2708268 838.8261996 833.8292295 879.0084499 5597.301953 5246.70328 5377.036379 5720.799271 5668.682765 2161.412168 2062.787565 2136.186134 1942.047966 1979.270654 317.0559687 0.93_317.0560m/z 0.930216667 2306.915233 2361.940029 2143.209983 2464.175753 2199.213439 10227.08342 10655.99546 11161.67182 11299.76318 11150.29984 9265.686094 9178.399507 8900.884271 9633.559519 9699.64267 137.0459614 1.36_136.0387n 1.361666667 26508.22524 25938.03823 25372.27187 25817.66111 27518.1615 3749.863643 4262.852562 4352.929865 4170.794015 4224.719921 8124.858163 7325.412061 7309.799928 8166.033226 8004.642934 315.0797643 0.93_292.0728n 0.930216667 396.9262801 384.4128167 327.3579342 377.309066 419.3694225 6306.55525 6022.071727 6266.020958 5531.286817 6028.765086 379.4905073 439.7894627 459.9529705 483.8134094 479.9876227 332.2785322 10.43_314.2447n 10.43036667 37280.70242 38122.199 35368.15526 35786.1157 35250.53676 30878.5368 33255.10767 33706.37196 33377.09379 34476.19262 3779.097428 3566.68383 3945.680608 4490.955435 4501.416606 909.5465178 15.82_886.5603n 15.81516667 128549.6264 126516.4294 127168.1109 134014.463 131526.9356 47369.32427 48328.49158 51621.41201 52196.67419 51020.79335 14607.29257 13110.33168 13118.57209 12323.8124 10969.44087 724.5246953 18.89_724.5247m/z 18.88508333 18905.88458 18809.47392 18569.36883 19387.99105 17934.14427 9459.339636 9485.329107 9427.891452 10935.90802 10546.03638 2738.704123 2609.719297 2618.146411 2890.488709 3046.661454 198.1854394 10.37_198.1854m/z 10.3723 4563.936948 4480.6609 4636.559054 4599.989161 4687.011656 9565.160171 9719.953332 10246.19051 9856.499512 10013.29318 5337.960764 5188.507687 5543.411854 5303.842668 5576.046963 205.0812982 7.13_205.0813m/z 7.128116667 535.8738918 535.6814949 530.9128776 542.5720279 539.7450367 2582.696081 2529.769991 2479.573371 2870.805887 2792.92096 1064.514774 1113.912119 963.0714984 1129.708312 1059.81483 175.1192134 0.90_175.1192m/z 0.897033333 7343.382409 7747.714418 7336.525298 7757.746625 8081.22167 3388.778371 3420.957518 3303.158689 3395.35678 3273.233873 4085.673223 4172.256962 3943.92184 4306.006254 4166.017231 806.5706933 16.81_806.5707m/z 16.81081667 72060.1915 73314.70602 72532.1726 74855.53088 74248.18313 8334.461677 6336.115855 7625.026967 8708.56078 8496.187465 21971.124 22917.58572 21362.38789 20779.80621 19157.30406 750.542945 18.81_750.5429m/z 18.8104 33219.57598 33827.05501 33709.20186 34915.23825 34996.2419 11849.10111 12036.20668 12933.39132 13282.44116 13121.17799 3145.71056 4165.187378 3394.385024 3880.965701 2987.906335 293.2087751 10.34_270.2196n 10.3391 15667.6806 15894.82126 14996.76486 14915.32887 14721.58591 14940.16224 16055.21646 15859.73193 16234.0799 16129.98525 2753.109221 3318.002964 2353.416593 2934.027609 2764.625127 180.0872132 0.95_179.0799n 0.946816667 406.5747425 358.2529542 345.6110611 315.5548841 436.4422821 2797.200509 2687.777765 2759.89649 2858.83176 2778.012327 1035.461703 1084.980713 1149.64505 1165.767205 1146.942605 198.0881418 2.96_90.0319n 2.963 912.9050642 885.1851883 750.807099 885.5498606 908.2682459 3313.934473 3294.100441 3366.718627 3291.933159 3222.106303 1764.603205 1611.238653 1605.44301 1748.372133 1692.610318 339.0378806 0.92_339.0379m/z 0.921916667 688.9797617 674.8898341 659.9812049 745.6149981 783.0413738 2245.751579 2557.430861 2506.071524 2412.883919 2311.048365 2198.293897 2219.356565 2045.191457 2139.132874 2160.686107 242.2841599 9.95_242.2842m/z 9.94915 6944.620894 6737.111484 6628.055785 6473.832877 5968.817039 1993.438876 2125.411367 2124.980032 2292.41786 2254.056898 563.5113989 493.0080032 364.1779003 468.8625117 390.2797274 205.0808563 7.00_205.0809m/z 7.003666667 879.8570463 938.2947053 777.9751528 855.0575325 916.9280964 3949.49087 4362.59398 4474.774093 4127.602444 4408.024689 1719.247572 1988.729057 1757.519175 1969.2266 1990.524731 834.6024399 19.13_834.6024m/z 19.134 69981.07502 72666.66943 73991.98038 75601.78544 76426.31854 3897.572339 2722.828471 2051.646092 2692.282599 3056.085356 24465.33917 25160.35526 22006.32658 22195.47296 19678.52353 269.1390279 7.75_269.1390m/z 7.750416667 927.2289732 900.2639351 812.511186 914.0996752 912.6689221 2694.150061 2652.527727 2870.812296 2864.517434 2800.038774 354.4681271 369.4993123 424.9476191 301.9445023 288.790599 267.1724689 11.38_267.1725m/z 11.37623333 6672.967846 6666.246175 6211.794828 6492.761746 6695.819763 11330.88373 12182.94673 12481.36392 11535.57094 11797.49677 5291.859677 4985.397351 5069.669698 5633.461823 5394.348677 246.1813242 0.92_245.1750n 0.921916667 1966.518164 2211.992662 2014.748526 2300.695416 2282.703189 519.8738133 462.6783564 489.8762887 535.413405 493.2533965 751.0776376 820.9956454 810.5568217 961.7890187 857.8583817 297.2415114 10.34_297.2415m/z 10.3391 2462.124387 2376.785087 2269.690575 2389.743151 2401.322807 2278.790763 2412.28064 2457.109564 2393.915419 2463.175243 796.0871099 852.0097699 655.0682961 813.7373208 822.9251763 432.2392869 10.09_414.2055n 10.0902 32831.26355 31513.10784 31648.21795 33436.95556 34469.73874 62139.54316 67352.72732 67891.34178 66457.69724 67876.70751 49185.98826 46467.06663 46872.17128 49785.09537 50008.61448 247.0609713 0.96_247.0610m/z 0.963416667 52.61003497 49.38053518 65.55292893 48.66949706 92.64174657 1255.060185 1183.669322 1223.786089 1201.347056 1280.022071 367.5200693 368.5650815 294.6369153 337.2680027 340.6485618 188.1759505 0.92_188.1760m/z 0.921916667 2281.503773 2335.118978 2239.285157 2419.622727 2488.176962 551.4147024 464.5300892 549.0423511 721.9941452 521.4438874 456.2148397 399.6768776 433.2779686 411.6299618 444.866094 247.1451047 4.41_247.1451m/z 4.406683333 1248.265632 1304.293764 1260.426727 1208.729569 1353.053347 412.7576012 497.1809163 469.1984798 419.5594061 442.7390034 753.8479333 766.0423036 672.104501 700.9051841 770.7312333 528.3120984 11.09_528.3121m/z 11.08583333 1909.086358 1732.985419 1787.342784 2041.559454 2146.575263 1515.236066 1603.846585 1834.218884 1734.244843 1841.008791 373.3233765 444.3361787 508.065202 387.6870709 409.4591447 560.0793038 0.99_560.0793m/z 0.9883 719.848153 646.5145209 548.9852813 646.5116931 738.279953 221.0304724 196.9347786 226.4162989 228.5513813 171.1944461 1084.808686 1170.405795 1094.463048 1066.790186 1223.289343 337.2346931 10.61_337.2347m/z 10.61291667 3625.630809 3746.466697 3459.721123 3506.283986 3435.059184 3603.061506 3527.637029 3768.349215 3587.92876 4056.352993 1843.652212 1741.940307 1835.968018 1748.576267 1593.126477 724.3780603 12.83_724.3781m/z 12.82821667 1104.207893 932.2771895 996.1445314 988.1955209 1024.333909 1020.903445 1134.289875 1010.27665 1041.358284 950.4029505 363.0032675 418.1295495 384.0618449 435.0732987 410.7847169 250.1201325 10.16_250.1201m/z 10.15656667 599.7016169 674.0064074 613.7912801 705.5061883 922.7563358 3765.595935 3869.748118 3801.599358 3659.868755 3843.973523 1586.744897 1901.581613 1767.361405 1863.021374 1874.580479 365.105499 1.05_365.1055m/z 1.054683333 73.08712741 79.464602 103.9932164 100.9581076 103.9205755 140.1880066 213.8088505 112.0586351 145.1257323 118.4628375 1267.549987 1175.880067 1361.050491 1514.954269 1554.341718 524.3706347 12.45_524.3706m/z 12.44656667 3162.706782 3108.246705 2937.143067 3089.817375 3201.764146 5860.16767 6597.762204 6825.172857 6931.04923 6564.494197 4539.152518 4294.868903 4222.294111 4055.742925 4163.788213 502.2941284 10.86_501.2869n 10.86181667 2118.048302 1975.063761 2190.585798 2508.232599 2549.194311 3267.25223 3740.038345 3882.967859 3923.433188 4042.627694 974.7858316 961.1958276 906.7160558 1055.72417 1097.131453 428.3715911 12.29_428.3716m/z 12.28891667 11023.9023 7794.016337 6323.235428 5054.03366 4049.579298 282.0392762 224.4954134 261.5655067 267.424214 213.9797242 190.7178413 238.7468365 274.2826382 324.6003381 227.4916703 689.4947705 13.50_689.4948m/z 13.50028333 53097.59741 45784.4607 41318.87695 32572.2657 25602.18459 4834.37855 4748.247714 5180.884322 4924.842198 4755.68416 4964.519043 4855.344857 5033.136274 4907.582211 5249.936051 703.5108905 14.22_703.5109m/z 14.22213333 54827.08127 47664.88895 43575.76631 37998.2409 33931.04438 9661.174966 10319.37094 11033.98332 11262.7304 11050.92393 10530.32332 10548.5212 9587.099308 9742.507212 9686.863639 397.1244756 3.39_397.1245m/z 3.38615 305.6391247 310.5608128 312.5149149 328.1979231 331.8191048 525.2312866 466.7905803 465.7376892 566.3564027 490.0600597 178.4798727 165.0340394 131.8038088 168.4088614 168.7779291 526.2932061 10.80_526.2932m/z 10.79545 2747.013096 2954.756626 3054.337881 3256.316334 3575.728889 1357.449757 1404.375599 1641.179993 1640.818462 1567.14588 933.3458101 767.9991412 785.759125 914.0242322 948.763099 145.0472086 0.97_145.0472m/z 0.9717 190.0353203 161.7076723 100.8858711 103.1212658 180.4748901 1656.111462 1771.029597 1650.308844 1787.579979 1774.874675 539.3349531 637.9917793 574.6334227 565.9798692 738.0008862 89.05996317 1.59_89.0600m/z 1.593983333 1955.928658 1909.235077 1845.973715 1861.667614 1935.056188 679.4976565 726.7483027 722.7140069 679.2792621 747.7901754 823.1687769 800.3378009 723.5170279 999.3556669 962.4003752 810.5082949 17.56_810.5083m/z 17.55755 876.5143051 786.2524111 810.1028698 829.3475146 721.6293636 91.83084906 87.00348697 123.1799348 110.898099 157.3055221 108.300834 122.4536219 77.33810415 107.8803877 130.3930953 530.3249347 11.63_530.3249m/z 11.63345 938.0165142 839.0934787 951.1677224 993.360352 1032.558027 1164.348325 1397.653595 1409.37173 1778.710597 1383.568327 364.5675193 257.1063989 293.4299011 336.4762444 265.1306186 244.093226 1.34_244.0932m/z 1.336783333 3007.710264 3165.53132 2818.71983 2892.897419 3353.482222 60.48732264 35.28896337 71.18038639 120.0074911 84.69408291 68.43391109 62.24613049 19.71540193 63.0316103 33.50412549 349.0559038 1.18_349.0559m/z 1.179133333 1233.353895 1254.938637 1263.104095 1341.772867 1423.842394 78.93011119 65.91088237 85.26577352 82.96722711 25.84321517 95.0863924 86.61604799 81.89311037 93.25778736 69.624838 134.0446179 0.90_133.0373n 0.897033333 290.3150165 299.0762638 245.1393285 239.7650767 280.7576211 337.6602825 364.929657 367.0087807 316.0655943 303.5304979 619.254409 603.6981739 600.5483004 637.7220371 674.4794194 1052.769572 13.63_1052.7696m/z 13.63303333 2742.005218 2294.741955 2198.804925 1909.222655 1367.573668 204.9863878 310.3482965 356.7479673 342.6766775 322.3740515 330.9428223 339.720256 362.8209287 359.3863685 339.9249797 366.2614805 8.69_366.2615m/z 8.687983333 1321.551295 1151.514682 1219.34309 1216.049436 1319.453499 1464.949313 1631.040384 1590.951228 1581.968161 1608.082252 807.2258055 740.5476791 712.9714283 831.3284267 647.0066312 480.3097526 11.57_480.3098m/z 11.56706667 222.6017521 268.90478 296.3713898 329.7774 337.2941574 685.9223797 719.8418739 828.8394918 809.3660847 904.1916932 122.9491741 120.757849 78.89630503 63.67795493 99.76577984 750.5430767 18.40_750.5431m/z 18.39555 5896.889419 5620.903218 5968.345934 6158.554088 5856.948683 1637.072885 1482.882801 1250.583247 1837.344061 1335.47159 913.0464204 824.4477645 602.8611707 491.2114501 407.9042497 242.0885836 1.10_242.0886m/z 1.096166667 264.0295848 323.9887269 337.2909752 272.5768003 378.2057227 1111.335721 1151.789674 1245.872168 1117.358767 1029.225101 364.8871435 511.2611618 483.6955407 491.83498 504.3913221 348.0701202 1.29_348.0701m/z 1.287 1674.432278 1706.963978 1584.427833 1761.412289 1699.808156 721.3366979 871.8903127 690.719979 773.3187033 739.4598557 882.8664772 860.8815187 739.0547498 981.6794583 905.354992 293.0987923 0.96_293.0988m/z 0.955116667 12.57970657 2.434693768 1.002325452 2.65491888 22.44219044 7738.262111 8051.154921 8535.848141 8188.805624 7921.965852 188.0879754 129.3702327 203.3145221 304.4243516 190.8813015 392.3714981 13.96_392.3715m/z 13.96491667 2563.006951 2143.994906 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