Features (m/z_RT) CON_1_P CON_2_P CON_3_P 40N_1_P 40N_2_P 40N_3_P 40F_1_P 40F_2_P 40F_3_P CON_1_S CON_2_S CON_3_S 40F_1_S 40F_2_S 40F_3_S 40N_1_S 40N_2_S 40N_3_S QC_P_MDA_1 QC_P_MDA_2 QC_S_MDA_1 QC_S_MDA_2 CON_P CON_P CON_P 40N_P 40N_P 40N_P 40F_P 40F_P 40F_P CON_S CON_S CON_S 40_F_S 40_F_S 40_F_S 40N_S 40N_S 40N_S QC QC QC QC 0.83_619.5598m/z 1819.040957 1608.886424 1416.766066 1971.918508 2174.200903 1786.723117 2270.220609 2165.289838 2348.61892 1233.90184 985.68483 1371.615339 847.6411918 853.8284285 0 1082.180884 777.7353463 657.9905522 1922.167887 1773.645286 0 158.4914786 0.83_589.6204m/z 2080.272115 1481.808319 1541.450437 2161.783403 2081.381889 1937.331568 2311.107564 2387.193454 2517.716475 1482.215786 1405.317517 1349.413338 458.095864 561.2180147 0 586.5806664 118.2195 208.9728562 1931.107993 1759.777555 0 68.32427402 0.83_623.5681m/z 2462.352529 2041.696312 1865.12745 2659.759723 2713.418758 2276.3902 3028.758863 3077.908417 3393.862821 1005.329726 890.433866 1030.901809 564.630168 590.7443922 0 669.4648715 375.3715005 383.3313599 2617.492509 2423.68616 0 92.27324813 0.83_701.5481m/z 1015.769716 854.1145859 794.9501999 1115.57324 1052.940454 972.404538 1237.674997 1238.035026 1348.820587 639.353653 595.7090935 680.379814 366.8048253 359.1031832 0 393.1494516 121.0753246 178.0951657 1097.715454 971.5967554 0 35.70097311 0.83_681.5215m/z 1434.258233 1184.902725 1156.001835 1574.809085 1567.700145 1400.511261 1806.10784 1754.399345 1854.352187 940.9191631 797.7701889 939.4082565 532.0969593 545.8218914 0 596.930667 267.6565552 310.914599 1550.366649 1359.413144 0 71.20348354 0.83_695.5319m/z 1218.776812 1052.876048 886.1946001 1309.542825 1399.934678 1178.234328 1473.280352 1421.686632 1600.352011 927.6375082 761.4116125 1008.520405 631.4357008 605.1038734 0 740.2228729 432.3286744 445.0201924 1253.141309 1165.970033 0 101.9984131 0.83_621.5580m/z 2155.739662 1888.315145 1655.993481 2253.778356 2477.536749 2067.90431 2624.329532 2514.303802 2786.312281 1240.01493 1022.247334 1373.68202 832.5727178 841.8853322 0 1055.048241 761.029137 646.6972371 2363.444969 2128.78716 0 168.9387614 0.83_825.4573m/z 1135.430684 940.5597446 934.0081228 1134.081843 1201.858604 1118.279525 1248.200631 1177.028434 1251.047645 1109.637677 1017.96927 1121.815291 585.1125421 648.7726339 0 672.3002404 183.3803662 280.0033244 1051.998793 973.8327264 0 46.64233398 0.83_823.4679m/z 1118.049375 857.4269885 857.953682 1133.170525 1160.871 1105.937004 1232.74702 1162.591204 1249.804951 1152.663478 1022.719081 1180.792292 529.4909374 585.1021682 0 647.9414168 124.2590517 231.9568241 998.4973144 941.2260437 0 31.96960449 0.83_821.4668m/z 1070.682434 740.4683276 792.0068286 1077.926913 1174.911569 1044.879666 1172.632373 1184.099456 1238.316012 916.3855075 799.4386215 930.074561 413.2708427 459.7054551 0 507.6362961 22.11600782 187.1871422 914.7643022 844.0548039 0 35.445557 0.83_819.4536m/z 1001.490119 788.1368716 778.9057063 1047.33351 1085.198531 1027.599256 1116.736814 1096.665546 1132.805852 869.4436425 797.7524638 889.2204235 457.6604301 482.5227273 0 487.0480991 45.52161849 233.1068705 913.9093286 840.4632087 0 39.18139553 0.83_815.4378m/z 1510.495746 1402.324138 1061.915766 1590.543798 1756.332002 1450.740931 1853.659806 1657.417008 1926.157973 1403.127294 1119.872438 1746.901755 1144.186537 1167.370488 0 1391.216656 818.3666382 785.5659696 1630.813301 1491.48925 0 170.1682456 0.83_813.4401m/z 1951.32681 1846.820219 1350.914032 2001.806226 2259.545187 1873.486785 2394.788004 2100.963894 2384.08986 1772.552701 1401.567896 2155.218381 1495.524803 1506.188706 0 1852.841386 1052.743958 1021.14914 2106.176021 1956.719831 2.515899658 244.7280816 0.83_811.4440m/z 1750.948503 1680.762523 1287.260706 1825.057635 2030.962282 1713.699349 2075.204306 1878.14795 2083.084576 1618.611927 1324.310667 1923.2724 1340.042987 1398.353104 0 1580.858954 935.9340447 815.6750888 1803.613207 1695.353067 0 189.8618369 0.83_757.4913m/z 2045.379383 1772.342017 1693.75849 2103.042675 2117.400006 1908.412411 2315.042264 2340.572633 2424.201145 1433.496285 1274.2893 1441.252098 842.4265048 871.5210321 0 920.6269603 215.1398337 467.5857268 2168.169026 1958.661215 0 107.0019522 0.83_725.5473m/z 810.0693974 662.5087603 627.2151524 849.9942012 855.2711473 759.5403132 1021.297299 1003.778011 1113.443732 457.4827082 415.6817881 451.2757616 232.82739 237.1672849 0 253.5699628 0 119.4330363 874.3334497 766.0737269 0 25.69077958 0.83_809.4242m/z 1319.668688 1175.222841 997.5475257 1431.277936 1624.761881 1339.429262 1620.119538 1606.799106 1673.5323 1198.732518 1053.157048 1336.498363 852.751722 814.7685846 0 979.0030043 224.1769956 425.3821694 1362.39215 1251.688825 0 110.3344585 0.83_1001.3373m/z 449.2640201 358.668941 370.2332837 441.1410516 440.6035613 445.7854033 507.7445236 460.9982936 494.3899546 213.4424697 202.9886385 251.5064392 179.7417216 169.0775462 0 203.2856612 0 116.894705 451.3793651 431.8225095 0 3.782043457 0.83_1051.3063m/z 409.4563667 332.1399234 330.3546284 401.2645114 407.1910772 374.5651875 433.0057446 429.980653 471.2931495 274.5322211 179.0666552 264.224161 180.5056356 149.3209165 0 205.8721062 0 101.5301558 407.6056347 401.571849 0 0 0.83_1049.3011m/z 431.4642339 381.6563024 340.4542299 431.140924 432.1400525 388.9756477 482.8788065 423.5126956 470.7489014 255.7958737 176.345333 282.9029871 190.9608168 171.0052043 0 221.4939572 0 137.089051 473.1455469 419.2381678 0 14.90795851 0.83_1047.2969m/z 420.7508535 399.1613262 360.1695133 465.899068 426.401873 400.3468032 497.7831897 462.2735142 524.6696094 244.2276549 191.4073552 297.3296186 206.7147986 193.1798829 0 233.415953 0 143.378356 474.2257247 456.8880889 0 16.1461792 0.83_993.3278m/z 939.7836651 814.3525692 786.2551613 943.3840632 897.0848309 887.9785355 1046.605942 1001.731331 1040.25024 554.3030863 466.7326664 544.8580977 369.5637285 355.4155072 0 408.3605773 125.4847109 187.053094 987.1526449 932.7537226 4.283482434 44.13602027 0.83_991.3307m/z 501.7002508 484.6120104 387.1266457 500.9690939 500.6948482 469.4808995 559.727076 513.7148274 575.6320409 292.8647496 272.3091293 352.4852121 233.2987621 225.5516327 0 304.3378934 118.7112737 148.434498 591.7180688 531.8185548 0 17.64230347 0.83_989.3285m/z 526.5367867 475.5638751 418.5264235 532.325733 470.349455 468.3521535 547.3079755 528.0449661 589.2923451 316.0074197 253.3557541 374.4131456 256.5145541 255.8653625 0 319.9732513 129.4801025 180.7291632 578.7217217 545.8256224 1.289915439 28.70822144 0.83_987.3325m/z 492.755187 488.8717642 412.5995183 498.648524 475.2061047 468.3877583 549.7305612 519.2542155 584.7644935 238.8980633 222.1572257 291.9218826 231.4365037 228.4070226 0 284.3781935 0 189.0772395 550.0501798 517.1060606 0 28.87576294 0.83_943.3814m/z 486.1164262 427.6149558 424.2610804 502.2246351 477.9545805 465.7103205 543.2138242 545.8972669 591.6642752 251.0203752 237.2816028 234.8584847 157.0092677 173.3016325 0 197.6033394 0 86.98089945 535.5921323 498.4464683 0 7.478358638 0.83_941.3864m/z 516.5582938 424.8324972 431.8082947 548.6949127 459.4129756 479.9861126 576.8180518 543.2896461 601.0560961 273.6507334 251.8291688 267.9385786 166.0038706 186.0279991 0 184.3415595 0 101.3054877 539.0163249 482.8267987 0 6.953321868 0.83_939.3874m/z 469.6965041 453.5654753 442.661126 527.5872512 499.3819453 451.5115662 552.4507815 549.4086305 613.0444317 319.0715253 245.4697306 272.9094473 188.0853226 202.2985763 0 212.1449829 0 108.9938048 558.0576173 506.458399 0 7.557138079 0.83_935.3909m/z 482.731379 423.4172373 427.2781626 486.1193944 445.6647528 450.2264745 513.7085951 507.3197439 557.6877608 293.3061254 279.2660712 280.8850075 176.4350676 191.2805035 0 179.9823616 0 83.37487757 514.9180294 455.7737084 0 0 0.95_958.2407m/z 344.5645432 33.60049421 55.1764026 122.38196 321.1245807 573.6814991 182.3913541 51.68732325 12.41893801 0 0 0 0 0 0 0 0 0 0 0 0 0 0.83_933.3830m/z 503.9938979 427.0793248 452.2327701 521.4219806 495.0459294 491.8138893 566.5061729 541.1083069 589.546546 288.2038331 277.7786579 270.2382522 171.7849426 158.7770592 0 215.9117146 0 93.44906628 539.1323256 505.0183159 0 10.00610352 10.83_908.2244m/z 833.8058462 45.94041458 47.73461773 689.8411562 5702.165676 7406.271383 402.1791455 90.64486706 39.52428383 1912.234645 3871.888462 1106.867141 241.2569813 137.0295695 0 442.645625 7.82659924 56.34152222 16.99835181 17.55380249 0 25.18371558 0.83_931.3787m/z 519.4480004 467.5474609 442.6656923 541.8459031 523.9678671 486.0851431 543.7710491 572.7630305 642.7514348 297.3820289 240.8332256 292.235318 193.0392994 209.3883668 0 214.6046834 0 113.4290586 566.9230318 540.4760125 0 18.15185547 0.83_929.3816m/z 514.5509024 482.0798934 430.7987981 511.473176 515.7330894 510.4974164 583.7222091 547.3769633 603.0870385 298.7472677 269.3315004 303.9158709 223.3851089 239.8262234 0 258.4516979 1.773436273 148.9981661 565.1317167 524.4183726 0 15.1447444 1.25_405.0516m/z 2133.056076 2263.716942 2441.809222 1778.676294 1403.28631 1220.647067 1258.544149 1484.792988 1388.988139 245.8481325 307.1622347 215.0804224 7.405684583 78.9455564 0 10.32342137 4.234256492 2.675651475 1152.310874 1094.138214 2.520111084 6.569120613 0.83_877.4104m/z 746.345706 638.3597186 635.4690937 760.5775428 755.1517305 642.7219624 846.9576447 881.9889224 896.1751867 542.3915308 523.4079728 549.2122781 278.3715617 317.5960622 0 334.2595657 26.1893524 147.9179175 791.7508948 699.491976 0 30.43277747 1.37_321.0690m/z 87.36969117 195.7658088 85.37900066 4730.368846 4072.786312 4759.723672 77.05907126 17.34507322 44.43212824 0 0 0.843818442 64.57275264 65.45684852 0 49.31841523 29.86061762 29.86831421 199.0434847 187.8719174 3.13721175 20.38011788 1.35_567.0885m/z 1903.24397 2900.933222 1387.410823 1922.888093 1956.171159 1318.698812 2026.53824 1594.030897 772.5653751 18.60929628 27.06747932 19.38127718 2.938303905 3.095129102 0 0.465053196 2.3200687 1.567176884 337.7203553 322.7901635 0 0 0.83_873.4094m/z 877.5766701 755.0652275 726.8482829 885.076565 847.2327828 763.7825608 958.3423362 972.7902536 1022.854683 570.1420601 505.6332423 590.4522045 378.6387517 354.7287177 0 388.9598589 2.765152386 245.344906 908.6497536 839.7394885 0 39.24844456 1.71_980.2213m/z 1429.937843 641.2073789 263.5360281 617.8097773 1809.954504 2225.904609 926.2412788 517.1545804 191.596907 0 0 0 15.91199453 17.36158481 0 19.93790697 8.120472421 16.22410822 0 0 0 7.415710449 1.71_936.2552m/z 10577.97972 7866.3869 1909.173716 4129.06925 10746.18719 16453.28049 5884.918609 3064.47741 1157.809212 7.799877795 17.79345008 0.070010777 0.764169424 0 0 0.020986423 0 0 51.10348499 44.74813843 0 0 0.83_905.4147m/z 516.9389067 450.6236679 464.642765 522.1375699 491.7762288 482.1539021 558.1080566 595.8661194 611.5665327 362.1267251 331.7793237 356.4474467 207.949197 215.444601 0 253.9005089 0.796661402 114.8022873 566.6620605 534.4249358 0 14.09544609 0.83_881.4283m/z 577.8264437 514.3416853 504.0364024 616.2957606 548.2233861 532.4933105 630.2130915 643.9748521 656.0546215 436.6874544 372.4797245 444.1175939 274.6682434 286.046886 0 331.1477137 7.056149759 184.5020138 635.9039473 559.1851828 0 41.9207306 0.83_871.4205m/z 625.2458513 606.0160694 527.3948941 649.9178178 669.8457044 618.4353555 736.5286073 713.7236943 791.7106683 452.836297 381.682664 454.0295357 311.8611973 314.4763728 0 347.0175596 17.26553546 271.2850169 726.8031151 658.5542662 0 32.36102684 0.83_1045.2833m/z 423.2044067 378.8069343 342.4739171 452.7796407 399.9668122 404.4095459 488.8653094 465.4781504 505.0285294 239.6552545 180.6050037 288.7443089 206.7684331 196.7544815 0 228.8568712 0 134.3215947 477.6171236 449.2377669 0 16.83398437 0.83_1129.2340m/z 320.6284459 276.5570964 267.2513017 345.8249847 306.5646653 295.7052964 366.1395796 344.1054179 379.4777675 193.8196476 157.7622169 195.0051577 176.069772 180.2293809 0 184.0514043 1.346856572 79.46459714 373.2667443 341.5469963 0 0 0.83_1171.2046m/z 431.1833303 355.7108313 339.1193536 444.0981183 410.7269278 400.7828984 483.4316286 452.4745418 529.6928437 224.3667399 229.368745 253.8855311 217.9227392 182.1308278 0 254.1477929 1.898193359 59.54924348 487.1486937 427.1409097 0 0 0.83_1179.2180m/z 306.8568742 249.970496 271.6836731 333.2069963 317.1975306 317.7077935 359.4254302 340.204315 377.9637768 132.6855389 138.2506765 200.5989692 134.0793672 137.9508285 0 169.4836502 12.26250383 57.71038993 375.3088239 320.7406849 0 0 0.83_1177.2226m/z 356.6086744 276.6925518 223.3100508 328.5418157 300.7258753 316.5770259 353.0245027 338.4396968 384.2905566 168.1098502 144.8595859 177.9051764 99.01112712 142.0553161 0 155.054206 0.217922253 55.02959996 388.5565517 353.5885614 0 0 4.64_441.1401m/z 5699.157217 1931.675644 3640.561581 5477.37874 9259.292952 8308.275229 4671.963462 5692.17196 4524.838584 27494.8554 38126.77933 17476.1878 5415.682652 6588.046776 0 5198.497037 1949.531904 2011.418619 1859.087409 1853.025718 281.9821099 1153.17833 0.83_1175.2182m/z 330.4894884 299.3641498 245.7683682 327.8228128 310.1119598 317.5607241 366.3765555 354.3817633 403.4709981 178.9552827 149.1359668 197.8530117 105.6044387 115.9713106 0 134.6578917 0 53.37646484 370.4696617 353.0495399 0 0 0.83_1125.2372m/z 442.2762799 392.9373509 327.3829429 449.640288 420.8531155 400.2258929 476.3588617 463.3236968 514.1303469 245.1365562 199.0990761 258.6908674 189.5740494 203.6775429 0 264.1879947 0 98.89633245 501.5731983 469.9094032 0 0 0.83_1119.2646m/z 307.6612348 302.6221339 268.9275819 327.9920192 321.0736687 310.6907046 393.2316967 351.5106884 385.1478889 184.5979109 176.2897666 199.0219617 169.4688995 154.6986503 0 184.1738944 3.953474692 84.00832283 378.5086035 331.0829058 0 0 6.79_944.2245m/z 893.1123639 173.247429 92.18891218 425.5600551 1840.439031 2557.170309 462.3693516 216.1555163 71.12896764 0 0 0 0 0 0 0 0 0 3.44784534 6.430786073 0 0 0.83_1117.2597m/z 342.776489 285.3347674 274.6504542 350.5369859 332.1744721 317.2139472 379.8958974 360.6256099 358.2480469 171.2220762 172.957543 212.1990965 163.1351916 155.0616663 0 178.5949021 0 86.24879094 376.9700612 325.0667129 0 0 0.83_1115.2586m/z 323.7449951 296.4674072 261.7770922 346.6781879 313.4034393 319.9950478 379.5215637 351.4392104 396.2897944 189.5720857 156.1520183 211.813654 136.5341689 149.4372479 0 161.6082957 0 79.37537156 379.2999168 359.5036667 0 2.159912109 0.83_1113.2656m/z 340.6109631 269.7277222 264.7249136 328.5711221 326.4957336 297.8010145 348.2959181 333.7564085 383.9906006 193.0021659 152.6395049 204.8338896 185.1147694 178.8685599 0 166.1518012 3.113446677 94.10436227 364.9290701 339.0910398 0 0 7.69_1094.2718m/z 232.5376559 0 31.06490452 202.8362325 586.2042618 504.6849693 157.2446483 191.3047687 111.5961544 2813.327947 3113.55413 2105.447067 406.2193468 606.0241057 0 417.1176091 26.54283421 35.85543361 3.549743652 0 0 0 0.83_1109.2695m/z 325.6343985 302.8151847 278.342217 321.6276523 312.6803939 307.3949987 386.4586716 352.0457421 402.8643179 187.0234332 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