Quant m/z Other ID Compound Ret. Index Spectra Kegg PubChem DC_020414_OAPL001 DC_020414_OAPL002 DC_020414_OAPL003 DC_020414_OPP0001 DC_020414_OPP0002 DC_020414_OPP0003 DC_020414_OWP0001 DC_020414_OWP0002 DC_020414_OWP0003 DC_020414_OPr6634 DC_020414_OPr6638 DC_020414_OPr6641 DC_020414_OPr6643 DC_020414_OPr6644 DC_020414_OPr6648 DC_020414_OPr6651 DC_020414_OPr6652 DC_020414_OPr6653 DC_020414_OPr6655 DC_020414_OPr6659 DC_020414_OPr6703 DC_020414_OPr6704 DC_020414_OWe7017 DC_020414_OWe7018 DC_020414_OWe7236 DC_020414_OWe7275 DC_020414_OWe7279 DC_020414_OWe7284 DC_020414_OWe7287 DC_020414_OWe7295 SD_02192014_POS_MR2_CTL_270 SD_02192014_POS_MR2_CTL_271 SD_02192014_POS_MR2_TOTpool1 SD_02192014_POS_MR2_TOTpool2 SD_02192014_POS_MR2_TOTpool3 141.9601161 0.51_141.9601m/z 0.51 69.46934018 178.4420549 79.20980451 72.73156152 172.5666249 65.56632346 82.40862303 87.94044404 78.68908172 177.5557558 84.13556644 71.66459831 67.67120725 184.2051844 101.8064402 87.52142287 88.97869571 68.9647646 58.40409734 73.59345859 91.30085744 168.2669373 102.6110994 68.20377297 84.79041414 69.43579031 70.31502339 74.39223897 71.54130555 105.1024902 113.9649191 0.53_113.9649m/z 0.53 8.57721902 29.46402947 10.3900116 12.74959549 28.88144424 8.102544491 11.30283532 9.828916652 10.92935919 30.31941641 8.704776779 10.68818134 11.23091685 28.04696643 13.84440336 12.55611836 7.419300249 9.401484754 8.939271883 10.65056823 13.92825665 28.33113463 15.98593318 7.490072765 9.408297726 9.795494678 12.51476327 12.2236945 9.645972606 13.4447718 84.96083109 0.53_84.9608m/z 0.53 11.72088827 19.16393428 19.4685187 9.687763214 54.67045509 9.229397153 14.78658988 14.62710969 20.86730107 29.41726978 14.13470909 12.69032702 16.62560893 30.92012598 18.18082087 18.79015282 22.50657641 22.8909671 18.09877462 13.87945302 22.16481684 57.79986716 19.3897229 18.68419102 18.18907093 11.39073503 57.18341901 49.05117305 17.80284811 18.59457084 88.96929276 0.53_88.9693m/z 0.53 16.34122916 27.7376392 9.525208682 14.06786096 28.77708532 10.3925548 12.52682172 11.04241053 14.95532271 27.66488357 9.351587944 8.137326247 14.21293747 24.61583291 20.50236605 12.10854531 13.73797536 14.5463697 7.99907813 9.090490141 17.94067948 29.64844308 19.83750326 9.058315802 7.255933593 6.173086334 11.0721812 14.37539394 9.825452028 17.6872366 158.9651644 0.56_158.9652m/z 0.56 119.3007056 123.1020902 104.9429707 121.9162453 155.6154751 135.8451716 88.03419325 93.83785492 95.27057479 59.33471286 137.3423569 98.83692837 104.5376061 166.3065753 315.499669 116.0060053 156.5222044 86.56742759 82.73895548 122.5085148 124.1353004 79.86057028 71.05513027 37.71559882 96.44053188 140.4090294 272.9753533 35.6688014 76.61251499 44.11769483 226.9526964 0.56_226.9527m/z 0.56 333.4640518 305.5369602 313.4047797 338.5595971 380.0299379 346.8951349 218.3088952 223.3378681 249.9508071 142.2360936 378.9882934 264.2957342 279.915444 442.9239951 832.8361694 312.2220343 414.6245914 239.1772123 202.3150379 310.8380993 327.0821223 184.8255185 180.7560967 87.65292066 260.3404486 387.3167158 742.9903378 93.8195639 209.7237226 103.3479465 634.8815169 0.56_634.8815m/z 0.56 55.69125096 52.62201536 49.90389499 65.3492155 69.81873072 60.78566819 34.82494687 32.13321767 35.30671592 20.96988913 65.91524996 57.32905843 45.84585232 92.00754625 199.1784781 61.74392264 75.54633867 37.50823324 31.16673154 53.33090451 60.98347908 28.86803072 30.36507536 5.648398682 43.37294036 77.50767304 157.6188813 0 21.01275324 3.068682904 650.8529829 0.56_668.8843n 0.56 190.0417312 156.0217238 157.6097736 202.2939993 221.5151766 152.6966767 130.8265672 122.4296775 126.1216636 86.85098354 223.3351463 144.8212283 149.7948917 238.870657 440.5896044 175.2968317 228.1249983 120.8176676 94.60676089 153.9509191 180.3091061 112.8795453 115.2068544 46.67054966 118.2147431 212.9011925 375.0724094 40.17881026 101.0108361 50.54785927 702.8665114 0.56_702.8665m/z 0.56 61.44478894 51.20071764 53.7938931 60.58368775 83.97654872 48.45479501 42.53093429 37.21997989 28.88377082 17.19414258 58.46333117 40.55655054 48.06384787 114.8741888 244.6063611 50.63473897 99.45009527 36.89845101 41.3832516 56.18623555 69.61336959 26.67875252 11.54049399 4.376123623 49.7079595 84.84818529 169.0806754 4.280744731 40.61642767 18.02258073 938.7769385 0.56_937.7691n 0.56 195.024482 206.4215077 188.6542423 210.3206865 246.9938006 152.6285269 146.544736 161.738581 140.7145254 139.325211 200.9037719 187.7938401 220.0400214 247.800034 421.8602443 217.2398918 269.1267306 143.6512329 123.3906609 179.7258214 245.4388371 148.7690371 189.6174621 95.72024733 195.6061254 245.576691 324.5771354 90.80633183 126.8350713 106.2598265 954.7488068 0.56_954.7488m/z 0.56 265.3179665 218.841759 218.6608427 263.8520233 309.7036076 244.8436274 183.1360642 190.5118288 198.9887632 125.321416 255.6904717 227.5209918 221.3939238 318.1333804 436.816891 234.589526 322.2695725 185.7661729 160.8814676 217.8534777 228.5266254 168.1459053 171.1482132 81.92888529 179.6877366 272.3957622 371.3291839 66.53500055 156.2267992 83.32185906 122.9259055 0.58_140.9572n 0.58 700.4800744 686.3381902 672.2821372 648.0462774 737.1922261 642.2554649 645.4296902 731.4177338 722.0452354 792.218933 704.8684388 610.1026742 730.1336742 590.7440164 747.5171893 807.9462844 806.0740156 769.0720109 535.3567588 608.1886112 910.4723779 658.4152624 1036.381731 692.8603266 728.8274434 586.070271 638.6694621 743.6321544 657.8308261 1014.230199 174.9388161 0.58_192.9701n 0.58 210.4085921 187.8828672 193.0577597 207.969073 241.4972387 198.1140312 166.4222809 185.4946539 179.9520963 136.5497396 224.1708517 160.9954689 186.4370771 245.0171854 354.6396576 204.1147834 245.4308778 168.3868555 141.6791588 184.8186096 231.3619608 146.8576729 180.0927393 93.78085366 181.2713162 205.5329598 301.6775696 97.67470162 163.1045762 116.4242494 190.9129568 0.58_208.9443n 0.58 337.8634175 333.0691968 323.4994523 297.2203005 339.6479462 297.8393018 310.209744 313.0231866 373.5569021 365.8194968 352.781765 281.3796415 348.9932596 286.9169645 326.1267755 401.5540725 410.372562 368.8518684 270.3873367 276.4319371 431.3605799 312.9337745 488.4806854 315.3764908 347.2293559 269.2013175 281.6276263 367.2504487 328.404007 459.3988939 206.8869102 0.58_224.9182n 0.58 215.5829127 193.6174258 179.4641639 180.7332946 203.4563176 162.6305147 199.3710589 224.4464723 242.7475332 315.942763 189.3897619 177.1703522 223.3860775 131.7909456 133.3713567 248.3191208 224.6641765 231.4764516 161.0148832 159.7003274 281.5754625 222.0557099 416.768082 322.4317994 251.66094 142.9827587 122.2355585 362.201621 224.1660902 501.0930325 242.9265291 0.58_260.9578n 0.58 741.2469411 705.2962541 657.0189721 742.5084282 823.4524984 719.8762781 571.3673853 617.7816005 634.0097269 461.9211443 756.7980277 626.8896475 646.8746788 847.0327062 1294.805501 758.2503135 913.684422 606.5019029 518.0260165 650.6128009 809.2915046 511.4753527 587.9434569 303.8596628 635.8786421 756.781231 1149.539911 324.7396683 521.9366894 398.8520225 258.9006398 0.58_276.9319n 0.58 879.3903314 779.56022 796.9340162 798.4205957 883.5069106 757.6575734 741.0311926 805.8240395 847.8587494 766.1964803 861.99424 748.2789102 835.1865471 766.9032608 1009.620015 940.9835898 1024.948444 795.1744453 636.7328356 736.1352629 1035.166563 693.766511 989.2294453 593.7124452 837.3645248 746.1500686 901.5744126 649.8123161 751.7740354 817.4181255 274.8746133 0.58_292.9059n 0.58 750.2829288 682.891336 699.5345472 610.8667293 728.8598496 614.7433615 746.6804525 814.9921663 847.486617 957.1528883 745.607576 667.9607754 811.7723865 569.2187257 562.1371333 887.9311047 842.8571218 821.4607537 622.4272911 597.4283259 983.4949413 759.7762196 1276.82624 868.3698853 813.8265779 554.111946 508.9438671 993.9061655 793.3635971 1364.055293 290.848709 0.58_308.8800n 0.58 179.0911321 183.8816756 154.9577494 160.297326 192.4245013 145.3375905 172.6732846 183.9093107 190.7033407 264.6469698 170.8189225 158.6919773 189.5387401 151.772187 135.7607464 210.1841504 193.8449252 195.6922188 147.55353 149.033325 242.6272513 188.6671237 335.2944412 235.5534501 198.6690295 142.2226321 123.4042906 294.0047091 194.7493026 369.2692778 358.8342763 0.58_358.8343m/z 0.58 10.86128778 20.11179129 7.331290145 16.08677673 20.48157667 12.35849187 15.63571532 18.50390148 21.69900252 43.42121933 18.34856126 15.86164783 26.15553772 6.047851 3.616830361 27.7031387 23.44074055 26.72707077 11.0704806 13.21112426 33.24398094 20.36019046 55.64929406 43.36408119 16.03076431 9.75978955 0 37.3366942 24.13200972 59.54824864 378.9018664 0.58_360.8925n 0.58 360.568762 313.7461036 302.1921925 346.44345 407.170151 319.0711015 276.0171587 287.5737762 274.5903148 234.120634 359.4844215 278.377351 314.8204337 386.9085252 562.9841084 340.7523907 414.6023399 299.6652577 245.9257407 304.8088801 387.0157384 243.3450845 300.8607134 157.1416597 294.3631876 355.4553473 511.9093125 178.5334244 247.5946781 208.2426337 362.9291583 0.58_362.9292m/z 0.58 74.23023773 78.80587861 57.01172615 67.51476285 97.71848094 54.61902286 43.12678871 39.89837494 50.14300562 30.73049471 67.27506804 52.44020291 52.82537205 109.9856602 178.2358216 71.31190449 76.19922141 41.09438522 39.94734441 61.15884604 69.83098219 43.30389218 24.93666427 18.3280678 49.30191446 81.06620426 159.6112792 16.15944634 38.53464592 5.989399808 394.8754694 0.58_412.9068n 0.58 583.5710195 537.7437873 512.2057977 575.8906525 622.7290839 542.8403934 461.5153249 511.7474916 506.0948754 399.9680552 628.7868904 484.9911569 542.110809 645.3221369 909.9286384 618.9653065 684.2351641 495.2480169 415.5396726 485.7877193 648.3705232 424.4462364 532.1943453 293.0638091 499.5726211 571.1503 851.2394208 290.8492345 450.3331464 437.3056395 446.8893619 0.58_428.8807n 0.58 722.6780112 651.5361678 680.7538755 689.5035828 800.611494 624.2916947 596.3939652 671.2207789 671.412578 581.154658 750.741666 610.0008573 695.2174724 752.9115473 1071.066304 772.8835904 860.5416558 650.9856192 512.7712366 635.5397633 874.7078427 567.9041459 743.6603825 447.1708206 664.0309974 713.5279939 946.8574738 491.6094696 561.8419547 634.0236807 462.8632919 0.58_444.8548n 0.58 664.471895 613.6019718 584.4815506 623.7822553 676.5594828 587.0862084 551.4146725 627.4113148 603.7314936 547.5675022 644.9342389 550.657886 622.7833296 587.6542572 783.5879276 708.3748829 737.6755535 607.3681857 468.982257 555.052139 756.3639891 506.9959137 716.8734852 439.1410746 608.3840944 576.5128067 708.3036012 477.0258946 525.2628537 608.3008256 478.8369096 0.58_478.8369m/z 0.58 453.5038268 415.1117321 437.4264005 385.9997213 459.2063882 399.9205116 420.9273498 461.491824 441.5438207 469.5981871 439.2126379 400.2308369 490.079993 369.5292455 371.0465968 534.8958296 507.8481255 453.0507769 356.1571558 392.6635824 586.1256636 392.6982274 582.2276307 417.8913931 469.4081855 349.0966525 344.6026552 423.410942 414.8474622 537.0775756 494.8110261 0.58_494.8110m/z 0.58 162.2365609 161.4439461 172.5651487 143.4027174 160.2303839 133.9819759 191.5881105 181.6473134 213.3374946 265.3221317 171.1978277 161.7892748 215.0011102 106.1909696 93.15954003 220.4230677 176.4939083 210.2335496 150.6496659 130.8655664 212.1106528 185.2975069 362.3415087 268.3099639 219.6581332 122.2916934 77.0614381 305.1960915 191.6374475 406.4234501 530.8507813 0.58_497.8612n 0.58 448.2683749 435.0825761 429.0575418 428.3570102 508.5024103 395.4477659 354.8757914 378.0719953 402.761993 329.3077276 453.2575282 386.3142661 426.1633869 457.840066 645.3702654 473.7019412 542.0119055 357.2569239 319.2602381 383.8128252 498.2899814 317.1785364 420.9615703 239.0966587 370.0308503 422.6604986 557.8904632 249.1570777 339.5765976 305.0417619 510.7844545 0.58_510.7845m/z 0.58 34.19207026 29.21731735 34.07327276 27.17073035 35.26068289 16.97984709 45.16969378 38.19024963 49.09402876 72.66896807 35.36201546 30.67856335 40.64269432 14.50339456 5.349724385 44.40850039 33.96940051 53.94386101 38.91440713 29.39742515 51.98560072 47.98672158 115.3195724 84.35863458 54.19049051 21.70947186 0 87.02039487 51.36851492 137.8205771 546.8246505 0.58_513.8352n 0.58 430.9988657 434.7668978 405.6364367 432.4167558 471.1192995 404.4063216 370.9220011 423.4162786 400.1972797 370.6105889 435.1633309 382.2491854 438.5440811 421.0443757 566.8891612 450.5446671 518.731024 397.7568618 321.4808738 354.4919713 513.6104905 362.8865994 482.3446752 307.4678646 419.0261352 395.9404034 479.0214804 333.2988517 346.4831346 397.4777997 566.8871593 0.58_566.8872m/z 0.58 49.23904251 55.56122793 49.72018755 52.30122967 91.60452396 50.21813147 26.35406196 30.29804551 30.03447595 22.84793684 57.01757469 39.05286468 46.8159508 96.55302904 173.2122636 45.66724945 77.54264577 35.94926878 29.26703656 49.12891468 57.29043936 40.2425206 23.83533909 7.235523992 29.62810802 68.95991068 166.8869393 0 21.44567578 0.018800697 578.7709679 0.58_578.7710m/z 0.58 21.6674166 26.51035402 17.50264848 11.92578125 19.14967953 32.76893457 40.65278254 31.98211336 32.45106944 52.69146896 22.94331464 21.9956631 33.46389747 13.30037581 0 34.0699359 22.68473082 33.6446844 27.09698648 22.87646882 46.10034888 34.96526715 80.80346623 62.19261064 34.19690736 9.721114114 0 69.33186192 45.03658043 94.17745258 598.8408581 0.58_580.8297n 0.58 419.0548582 374.8448233 351.8874574 390.789795 432.8047526 361.86178 363.7471414 388.0956003 396.5635687 383.9915776 428.2364478 363.812693 417.1922303 376.7979263 467.0555962 463.8714955 474.6896717 359.4993306 323.5736862 340.1279236 493.183124 354.8433418 464.9040142 302.9696467 430.3193392 378.6722046 422.3954757 334.0949645 353.8401198 423.3176933 582.8653008 0.58_599.8680n 0.58 283.5673215 225.9929766 220.1765847 250.0983889 297.1215084 196.2554432 169.1806981 168.2995333 166.3571483 126.7615016 247.3430051 199.4137065 215.6524419 315.7872703 558.4431505 241.9318164 339.2554843 174.5896646 171.8808372 222.0758978 251.4092927 142.9547315 149.9313009 50.07054648 208.6275661 303.3464562 457.1880491 54.35707664 131.1713643 83.79415999 614.8158003 0.58_613.8080n 0.58 410.0800165 345.2847674 352.075205 344.6334224 411.407906 318.6263204 338.518663 369.7811885 368.6743442 410.6732792 374.7824609 346.9196164 384.5717454 347.537906 327.8338027 439.0936049 439.9541956 400.734523 274.8240729 317.0852865 508.1154818 336.4848832 526.2910261 325.7093906 396.1333586 319.2354567 273.5295829 348.6784692 366.2319842 476.6657971 666.8272702 0.58_648.8185n 0.58 545.0820861 473.1508649 464.1846931 497.0261033 535.2439697 463.8943311 441.4120177 497.6252867 480.5863332 479.5991832 477.2234416 445.6061657 507.8897908 510.684824 594.0853459 588.1928393 654.4290598 447.940668 385.2301213 452.7015647 604.8080629 394.2508857 571.8090168 358.9896646 482.6955111 468.1731582 528.5403819 379.0034744 415.7056276 484.3266726 106.9517036 0.58_67.9878n 0.58 194.82307 187.18291 192.7283815 187.3152501 229.2470669 194.2372242 162.0959362 161.8779099 160.0870028 122.562025 199.1423544 164.4514622 172.6990702 237.4766334 371.4775598 197.4863394 240.348599 156.0167763 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