Metabolite Name EW-02-RT EW-02-RCH EW-02-ACC EW-06-RT EW-06-RCH EW-06-ACC EW-07-RT EW-07-RCH EW-07-ACC EW-10-RT EW-10-RCH EW-10-ACC Retention Index Moverz Quant Local ID PubChem CID KEGG ID mass spectrum Factors Treatment:RT Treatment:RCH Treatment:ACC Treatment:RT Treatment:RCH Treatment:ACC Treatment:RT Treatment:RCH Treatment:ACC Treatment:RT Treatment:RCH Treatment:ACC 100.9455 90647 154774 1685526 219103 131389 389608 95049 152490 766663 1623230 142717 132684 1.09 100.9455 101.0238_R1 2335049 2164375 2504132 1494597 1769485 1767972 962722 1642237 1355071 1748662 1783807 1684770 0.72 101.0238 101.0238_R2 163088 233253 227851 198852 144593 165815 793041 517138 325123 667446 735801 286684 1.34 101.0238 102.0271 115780 108238 114542 115249 111925 126114 128768 129121 124182 125643 115739 114303 2.25 102.0271 102.0553 14302 32502 52243 36537 32940 61990 11059 78660 71249 42725 41021 35713 1.62 102.0553 102.0554 369138 587365 810961 427299 526386 718092 462428 378569 674214 634061 543346 804678 0.76 102.0554 103.0395 1591113 1521366 1516412 1708470 1621063 1676952 1641386 1711445 1595794 1556861 1573891 1683216 2.15 103.0395 104.0212 242746 265180 135628 127695 198057 211328 260961 142529 179839 136871 136143 219975 0.76 104.0212 104.0348 32678 116089 173108 80789 55986 95794 52606 417198 259042 595894 481870 58003 7.94 104.0348 106.9923 128539 130276 135684 119664 143503 125188 116388 134991 131075 147882 119777 126627 0.56 106.9923 107.0487 616929 651142 604595 632828 576783 639396 680940 592787 549832 657631 639809 663726 10.05 107.0487 108.9884 69394 72573 83762 69332 75230 82397 66739 75773 70187 91123 81055 81360 0.59 108.9884 109.0287_R1 0 13203 40929 27573 11093 21609 0 68865 104412 34064 28880 48854 7.23 109.0287 109.0287_R2 15253 30897 61153 30904 28905 34529 0 112122 76707 23198 56487 22408 2.19 109.0287 110.0718 0 37007 203144 41931 55655 266474 34820 192880 214165 103918 137514 60087 1.33 110.0718 111.0083 81226 99669 995691 138748 450943 94884 179493 118460 190633 71894 1299264 116073 0.88 111.0083 111.0084 344323 433240 849326 1161904 267801 409216 577609 826359 974590 1036271 1206112 1231405 1.92 111.0084 111.0085_R1 34873 38096 42646 36698 24416 22262 41147 39770 44959 53043 57628 55961 2.69 111.0085 111.0085_R2 0 0 0 0 12988 12140 0 14620 0 16160 14766 0 6.33 111.0085 111.0196 71699 82685 57770 63408 58108 46857 41039 62887 41362 88406 66275 49609 2.82 111.0196 111.0815 38294 31471 44115 36411 10828 18460 17107 33920 34155 37248 28108 27441 8.58 111.0815 112.0402 91366 163095 109333 159740 98751 74342 159659 235397 99477 225192 339873 78308 1.05 112.0402 113.0231 2100460 2079511 2449167 1292251 1641970 1571693 915980 1482518 1154763 1640054 1625873 1421459 0.73 113.0231 113.0594 18747 49655 138372 62701 69056 233890 37429 261066 232208 101363 96880 94202 7.65 113.0594 114.0190 621333 639322 627995 639596 555836 623850 622779 606227 586022 655192 567296 599558 8.49 114.0190 114.9859 1025533 1015835 980605 1131615 1115230 1292659 1217034 593313 1096746 730784 533775 894142 0.67 114.9859 115.0030 903505 939857 871822 932500 828174 863399 872411 859528 867759 897061 899203 892950 8.53 115.0030 115.0144 202862 276868 310783 193929 235364 169107 79672 320061 211370 210372 375769 164067 1.07 115.0144 115.0147_R1 202862 276868 372003 193929 215824 304507 82450 236348 491168 216688 375769 249685 0.87 115.0147 115.0147_R2 196964 259714 308595 193929 230989 309243 82450 311823 204387 213872 357162 237836 1.00 115.0147 115.0396 48287 97105 66610 57074 59132 54037 65183 91794 63029 61378 76200 83877 1.12 115.0396 115.0756 0 11602 36418 15017 0 33136 0 41617 33249 25193 38111 11890 7.87 115.0756 115.9892 106626 98771 116963 121475 122113 150981 130160 143519 111013 97578 91889 100625 0.61 115.9892 116.0496 66640 67806 57739 61094 81081 82974 66839 78713 77132 75658 70647 77511 7.67 116.0496 116.0497 0 28550 66313 93857 37891 134600 19540 74177 55384 55793 64560 49204 8.91 116.0497 116.8866 80392 83559 117973 107748 76575 105597 100742 108989 114984 167160 155509 158552 2.29 116.8866 117.0329 12699 60360 458643 69840 45007 648000 108059 89046 56532 58586 132230 41048 1.23 117.0329 117.0553 68210 121489 147820 124136 117010 89522 319413 1122655 273876 286021 250396 64520 6.02 117.0553 117.0558 151856 113636 131199 115582 113133 129421 144684 143171 122121 121496 130131 103101 4.03 117.0558 117.1502 85388 119662 134752 113989 84688 126856 92806 119740 137435 144827 201029 189015 2.29 117.1502 118.0222 1408869 1897293 2139230 2073130 1812701 2297250 1677488 2447388 2388966 2789846 134329 2299592 2.26 118.0222 118.9653 62785 67898 57755 76425 69192 52829 65777 63217 67016 116356 107470 71118 0.58 118.9653 119.0346 271551 631066 868415 307113 363605 558216 264753 1276089 1034085 835904 1107164 370898 1.01 119.0346 119.0347 3044696 3413124 3687804 1910084 2554259 2129865 1300301 1256103 1041564 2435326 1084209 2240316 0.86 119.0347 119.0349 2924028 3122685 3641946 1843944 2522594 2127166 1283758 2114266 1716785 2322150 2183077 2240666 0.77 119.0349 119.0490 2558794 2645810 2458204 2665833 2420309 2404608 2473468 2466182 2417679 2486065 2619766 2616896 10.02 119.0490 12(S)-HETE_R1 0 9769 8653 31767 0 8079 43302 14902 12174 8408 8221 10242 14.01 NOT Found in Database 319.2263 12(S)-HETE_R2 0 10915 8653 31767 8440 10195 78390 16988 14088 9097 8221 10242 13.85 NOT Found in Database 319.2262 120.0381 138219 164447 154970 104257 120063 113860 42512 154537 87066 116444 67031 94935 0.76 120.0381 120.9543 92302 85182 88722 79134 90299 91891 99069 94608 80791 66822 50593 81172 0.61 120.9543 121.0156 150392 132333 197109 108378 120872 153526 123886 183025 129497 144172 109333 170309 6.26 121.0156 121.0294 118178 131697 163755 123838 119738 134958 137479 150430 125401 153527 136317 342579 9.58 121.0294 123.0448 135426 645776 1512021 518982 1016694 871460 621270 4171067 1410801 688904 1623990 576650 7.55 123.0448 123.0449 13203 29369 86919 29526 43196 28345 182901 215891 33109 59649 161350 26603 6.85 123.0449 123.0457 282036 246453 252042 254263 258049 280004 273401 273004 246421 258236 239238 251824 2.25 123.0457 123.0559 225462 411501 303503 541818 316451 484401 726923 559276 314264 524042 567404 308671 1.59 123.0559 124.0144 255344 412286 913233 246072 469941 493710 126525 888340 525387 345194 698276 316186 1.81 124.0144 124.0399 429140 1319955 733158 1481159 689535 1272078 1835801 1393062 1057592 968871 1262105 640967 1.34 124.0399 124.9910 1480398 2635105 10600000 2634845 2761529 8739838 1938499 9701078 12500000 8562881 7805525 5035161 0.79 124.9910 125.0176 19468 19131 31168 20531 14947 24510 33785 30446 18024 31176 14352 39375 1.11 125.0176 125.0221 85794 57860 20991 59868 67769 62940 268247 65133 64378 44124 16038 41334 2.00 125.0221 125.0350 98059 203582 989033 402504 206623 786265 110656 895207 932642 697322 846756 401667 0.95 125.0350 126.0024 5152524 5509684 4821870 6099270 4766612 5922477 5745242 4980900 5064466 6560834 6171957 6139600 0.72 126.0024 126.0201 163335 187279 423565 209730 139254 202600 86346 326840 253614 301624 188167 162973 1.06 126.0201 126.9436 191933 277831 233676 299897 252475 211728 285292 195057 206552 274131 310559 367300 0.68 126.9436 126.9868 81697 146151 422573 131883 136311 380337 100119 428399 529435 364984 310097 222799 0.77 126.9868 128.1077 420248 1672038 318026 290135 934950 379828 131937 647385 325148 393061 394644 113372 8.72 128.1077 128.9592 5378437 7226775 8605578 10400000 6042831 6161821 10700000 8363488 6729439 12100000 11900000 7443037 0.63 128.9592 128.9676 107162 129550 118296 99755 92341 114411 101428 124775 108625 76238 84347 96550 0.59 128.9676 129.0187 154080 127500 168777 167475 179374 217057 130121 400737 238993 305334 308509 162120 1.73 129.0187 129.0188 829036 772715 1648394 665170 208448 872850 268311 641309 1458990 810892 1226242 2181365 3.33 129.0188 129.0192_R1 0 0 15486 12115 12794 0 11970 0 0 0 11009 0 7.72 129.0192 129.0192_R2 0 11663 0 0 12857 12432 11970 0 0 13169 11009 12214 8.07 129.0192 129.0551 76351 73879 652759 286015 79493 379895 263621 832574 1133412 2350172 1031885 700671 7.39 129.0551 129.9752 607776 388410 512908 610264 633403 331452 422771 296657 316555 431415 263755 324926 0.77 129.9752 130.0503 35425 69867 98870 80429 60291 108982 38461 85558 97001 94531 103493 69515 1.89 130.0503 130.0654 171129 135856 148042 167604 158304 174395 166760 166434 175122 164871 150441 155018 11.47 130.0654 130.0867 12214 30772 49951 111737 30482 32117 52921 69705 27619 50508 43248 27074 7.84 130.0867 130.9569 398987 551600 587392 772428 440019 478645 777595 625077 495894 877660 903081 545160 0.64 130.9569 130.9654 127853 129861 102620 148899 148864 100005 116818 114475 135347 223478 218280 132202 0.59 130.9654 130.9832 2622607 2572670 2394627 2777572 2583276 3080707 2968997 3104999 2530804 1886170 1698430 2151438 0.59 130.9832 130.9980 14128 11800 15324 30939 0 0 11529 17780 17795 20529 35037 19032 1.92 130.9980 131.0111 146814 167191 496711 296356 132472 668083 227182 313763 259055 731458 270985 237704 0.81 131.0111 131.0822 420334 503830 785254 280982 154283 758259 610996 572897 662518 186970 701022 687015 0.73 131.0822 131.9982 625506 949746 638209 528971 575710 503500 415259 401227 500671 554098 569567 644869 0.75 131.9982 132.0123 198878 332364 1500249 323603 365647 400944 375123 316072 419278 443102 402308 468753 0.85 132.0123 132.0406 272296 374970 3950948 369028 640934 2829169 409885 2184298 7430208 394249 335258 1903230 0.77 132.0406 132.0660 154962 214604 404830 104994 102948 180688 125664 318870 450168 183622 288646 173841 0.83 132.0660 132.0661 11100 28967 12228 0 8660 9143 10916 8425 8745 13143 12182 25003 1.18 132.0661 132.8673 642978 477238 370806 565775 649553 351229 429272 367583 657975 479651 284569 436633 0.58 132.8673 132.9458 1507238 2357641 3792402 3676237 3074438 3305925 3013477 3768491 4500908 4650761 3892800 3733723 0.75 132.9458 132.9727 75385 107750 97517 83800 45153 49875 75613 116908 63034 200967 196076 90498 1.07 132.9727 132.9806 360214 360785 314465 387446 356177 413020 431334 433634 343510 266763 243190 309686 0.59 132.9806 132.9945 2163111 3536217 2522820 2215484 2213187 2089806 1788707 1628514 2094132 2663076 2178524 2567953 0.75 132.9945 133.0139 4617081 524923 583935 2118223 734319 811415 1090747 1226217 585024 1331457 9924962 994591 1.48 133.0139 133.0255 235418 241919 1887712 178869 275584 1640123 185058 1524115 4324601 286700 262751 1123069 0.75 133.0255 133.0499 80373 77019 107226 90520 70057 59784 65996 537518 165022 269104 245528 42307 2.20 133.0499 134.0172 1343214 1843693 1553329 1328667 878658 788751 1220902 1945997 1097807 3494851 3437890 1390457 1.08 134.0172 134.0468_R1 1142370 830880 1555336 675615 748028 1324645 716424 1077314 1324903 1047421 1614080 1558542 1.42 134.0468 134.0468_R2 422132 431139 535945 411826 164966 411114 414581 463886 244721 518447 358435 370487 5.61 134.0468 134.0535 0 15566 13235 0 0 0 23181 169960 33423 30653 30591 0 1.42 134.0535 134.0604 101605 126914 49522 99115 44807 102561 85188 87574 93434 104512 76816 94684 10.02 134.0604 134.8648 586189 451582 345376 524667 630306 284919 416656 326248 607761 439405 212896 404589 0.60 134.8648 134.9429 539362 780523 1239131 1257848 984345 1048927 989202 1342513 1475217 1536281 1288092 1216407 0.75 134.9429 134.9875 389765 355495 364155 337851 357159 346304 334389 374012 368166 371266 315507 337758 0.58 134.9875 135.0119_R1 27531 43461 128229 105625 56347 114508 52462 137417 215202 253248 112917 66186 1.29 135.0119 135.0119_R2 27368 34175 102632 79193 56347 108384 36236 162576 135975 251737 106038 45587 1.50 135.0119 135.0304 263192 420669 423473 233702 391551 247351 210907 341527 193189 496154 381590 346439 6.18 135.0304 135.0306_R1 5509864 6787907 37300000 12100000 10600000 7957976 6919593 14700000 9676602 16200000 17200000 8679044 1.98 135.0306 135.0306_R2 742020 1155516 3044752 1298897 894806 2297890 828697 3983797 3526473 2954075 2372827 1117990 0.79 135.0306 135.0434 64768 13271 84549 11923 11809 27312 10514 24804 68351 24593 41560 30203 1.44 135.0434 135.0558 0 11529 78943 10387 0 52235 11564 91386 74178 127340 86174 31507 5.97 135.0558 135.1941 10410 0 88121 25997 30706 13888 12323 43079 30594 47446 34528 16208 2.00 135.1941 136.0066 38467 46159 37732 26512 36821 37145 28475 30820 27640 45457 88214 51734 0.76 136.0066 136.0266 76051 98966 514404 164531 151499 123682 102249 229573 136296 205360 235074 125408 2.00 136.0266 137.0047 30438 31139 24560 23492 51523 28672 33211 28479 35513 0 0 32184 0.75 137.0047 137.0237_R1 207013 236961 523915 380152 163133 326566 403877 622870 614544 502640 351088 274187 7.95 137.0237 137.0237_R2 170711 244261 179203 196682 226753 135044 165097 209097 213897 151704 109231 142422 7.89 137.0237 137.0238 828457 1421396 1738944 617171 1123992 1504419 663040 1153363 810399 1438205 755055 809040 10.03 137.0238 137.0464 51527 89222 383770 121378 107211 69491 65852 140882 97173 184239 212481 110704 2.01 137.0464 138.0192 26476 28635 85914 57966 34132 220617 27833 117595 114235 50687 42350 31654 4.07 138.0192 138.0553 0 0 14133 0 12694 33547 0 43259 35558 17723 16964 15284 7.73 138.0553 138.0554 62127 71548 97915 87251 50350 60581 64027 96098 72177 98812 106730 57997 0.94 138.0554 138.9410 25555 42069 366435 75715 46600 103528 28331 45200 177136 333082 63681 44385 1.11 138.9410 138.9700 135966 219227 863483 305519 358676 972841 178827 702027 989774 485434 466932 601941 0.87 138.9700 139.0396 0 30477 35308 11484 34442 11880 12259 159795 81884 0 35170 10315 1.97 139.0396 139.0506 10158 0 10843 10421 0 10261 0 13232 0 15282 63318 9480 1.08 139.0506 139.9817 114486 136452 137207 79072 175148 182404 96967 98666 138726 63028 129122 200408 0.75 139.9817 140.0349_R1 208301 355125 146436 401295 230481 149169 103346 175787 215720 117740 287641 272992 0.95 140.0349 140.0349_R2 206314 346772 700165 386522 217804 531958 94226 539837 388715 349464 290066 261726 0.89 140.0349 140.9386 9458 11454 190858 37402 18674 42660 8201 12372 94900 163965 12519 11916 1.12 140.9386 140.9775 408205 456695 520929 335360 625747 736033 419625 417460 529540 336097 446368 620163 0.70 140.9775 140.9857 229774 250502 133630 219459 197743 205075 297960 201470 188618 185428 115809 194134 0.68 140.9857 141.0191 30587 55076 43623 26941 0 57013 33054 258681 90582 158382 177729 13857 6.34 141.0191 141.0554 28719 40933 96730 69909 63706 127246 31311 146403 175407 65840 63920 55126 6.11 141.0554 141.0663 191638 269484 443240 280615 191972 157532 161520 321725 163935 308076 292956 180736 0.98 141.0663 141.0915 0 12226 31398 23727 11284 30985 0 37155 38992 16932 26947 13532 9.01 141.0915 141.0924 22884 42621 23137 23644 22547 16209 24582 26552 24688 26262 36533 42840 9.91 141.0924 142.0263 18625 33200 124831 18053 30101 27471 0 102276 30498 23436 87251 52016 1.81 142.0263 142.0508 22552 11878 44708 12990 10490 24411 20694 45911 40697 39558 34428 30189 3.78 142.0508 142.0515 9235 11769 11537 11569 19423 11677 0 30916 13075 13394 37429 0 3.33 142.0515 142.0516 11518 0 20976 15338 11713 15897 0 18295 12848 12466 13342 14897 4.32 142.0516 142.0655 926017 849131 937751 993650 891629 969835 857307 901911 1064946 932180 884541 928916 11.47 142.0655 142.9744 295035 407721 579081 286327 431045 516059 178400 473674 470790 473825 473836 525701 0.74 142.9744 143.0349 1958212 1921553 2109604 1239095 1517651 1475126 866513 1420887 1222286 1396509 1561145 1395937 0.70 143.0349 143.0706 21510 37869 69933 56003 37760 99000 49960 142202 160554 68699 90548 50641 7.49 143.0706 144.0298 356191 409097 901826 461146 331433 460496 182945 787340 601955 691468 475300 338651 1.09 144.0298 144.0442 497670 1811624 7885208 1088561 1869825 2137084 331703 2386224 1052485 1392686 1592079 797169 7.70 144.0442 144.0445 533280 1881149 7916562 1086598 136578 2174107 334667 785655 548806 545250 1609983 833357 7.64 144.0445 144.0449 93996 119512 117309 196365 154598 143391 158837 144996 102622 133640 101702 104909 9.78 144.0449 144.0659_R1 50649 111907 314737 123161 108276 336528 74040 282652 407492 227871 206298 150111 4.13 144.0659 144.0659_R2 30356 39652 141409 43556 50493 122214 60056 187086 252913 172837 159442 116169 3.45 144.0659 144.0659_R3 73194 65516 78714 113418 77621 73312 97298 92913 74513 155449 163666 102621 2.19 144.0659 144.0659_R4 41081 83023 91237 50258 54882 39837 12100 125772 92660 242900 885729 118453 0.92 144.0659 144.1022 24132 0 31913 34908 9340 32923 42784 34340 39732 39186 49573 47813 4.94 144.1022 144.9667 8468 0 0 11002 8763 0 131588 17172 7606 35326 45395 0 1.02 144.9667 145.0079 11119 11753 57936 32209 29111 55228 27814 41242 51523 25782 38381 40516 0.83 145.0079 145.0137 737543 1159552 1189616 992948 701942 805867 4431229 2769060 1582500 3641822 4065101 1469624 1.30 145.0137 145.0291 10014 0 56238 11855 9757 14785 0 14645 21689 33520 21099 10397 1.10 145.0291 145.0378 14360 0 0 23008 0 26172 9673 12178 0 0 9958 0 2.21 145.0378 145.0508 3100711 1379097 3571143 1868955 1213698 1377877 1093329 2599939 2423581 2045535 1651435 1430734 7.11 145.0508 145.0978 35985 15397 54312 12111 35576 34703 87591 28549 35684 29205 61619 14696 0.83 145.0978 146.0090 107035 156178 151493 167226 142773 225461 125742 166954 249540 123089 154346 231699 0.97 146.0090 146.0575 133229 158642 163345 231800 168859 144054 181983 150856 182364 234197 79134 140894 0.73 146.0575 146.0815 10979 31840 44071 10059 12490 28797 0 12501 15432 41363 32915 16470 2.53 146.0815 146.0816_R1 226168 331181 434313 301390 287378 285535 714071 621161 381226 751595 687121 499650 0.95 146.0816 146.0816_R2 234356 328232 440291 94410 299586 294586 737893 73428 383387 772614 689916 517050 1.01 146.0816 146.9606 1907552 2199632 1527311 2174176 2127114 1321185 1785920 1617191 1743250 3306247 3513263 1970548 0.59 146.9606 147.0294 1987024 3114929 3463726 2435236 2118086 2815040 1868381 2574684 1954285 3928917 3500101 2349285 0.72 147.0294 147.0296 1074634 857264 179602 895902 212833 159901 130539 1366382 1671306 1156216 126165 707066 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