Mercurial > repos > recetox > mfassignr_histnoise
view test-data/recal/recalibrants.tabular @ 6:9654573e6889 draft default tip
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/mfassignr commit 7d98b78ae27b24ee581d40ff0b624d7ecb288030
| author | recetox |
|---|---|
| date | Fri, 01 Nov 2024 08:18:56 +0000 |
| parents | faf7108f3b48 |
| children |
line wrap: on
line source
"abundance" "exp_mass" "theor_mass" "recal_err" "orig_err" 115.054231533359 "C9H6" 115.05422664356 0.728984639913248 0.0424999510570841 117.069572629504 "C9H8" 117.06987670736 3.36888732269624 2.59740476844203 117.069742846604 "C9H8" 117.06987670736 1.91490980541242 1.14342612941356 117.070083035453 "C9H8" 117.06987670736 0.990949465277487 1.76243538306623 119.049041072813 "C8H6O" 119.04914126586 1.61309474232647 0.841610833463941 119.085478343665 "C9H10" 119.08552677116 1.17814571129887 0.406661466893596 121.028406955477 "C7H4O2" 121.02840582436 0.762138685010039 0.00934588037431393 121.028559025627 "C7H4O2" 121.02840582436 0.494343474380556 1.2658290090465 121.028559025773 "C7H4O2" 121.02840582436 0.49434468072811 1.26583021539405 121.064480614559 "C8H8O" 121.06479132966 3.33800169223651 2.56651911411759 121.064772496781 "C8H8O" 121.06479132966 0.927044769004804 0.155560330847126 121.064839051124 "C8H8O" 121.06479132966 0.377303668240503 0.394181194019159 121.101133005817 "C9H12" 121.10117683496 1.13340597227909 0.361921693424699 123.044127955122 "C7H6O2" 123.04405588816 0.185784534949134 0.585700475091766 123.044311353059 "C7H6O2" 123.04405588816 1.30472058698086 2.07620674688039 123.044312115776 "C7H6O2" 123.04405588816 1.31091931316403 2.08240547779882 123.08040073282 "C8H10O" 123.08044139346 1.10184255966829 0.330358256357986 123.080583711079 "C8H10O" 123.08044139346 0.384812149861727 1.15629760003515 123.080584214953 "C8H10O" 123.08044139346 0.38890600589622 1.16039145930252 123.116871592357 "C9H14" 123.11682689876 0.408467059606618 0.363017778564131 125.059595214589 "C7H8O2" 125.05970595196 1.65695989747293 0.885476022511153 125.059596220818 "C7H8O2" 125.05970595196 1.64891391487979 0.87743003366822 125.059782634153 "C7H8O2" 125.05970595196 0.158320363837114 0.613164667335975 125.059782634211 "C7H8O2" 125.05970595196 0.158319899988998 0.61316513118409 125.096198635223 "C8H12O" 125.09609145726 0.0852798625176126 0.856765081577565 127.075190047638 "C7H10O2" 127.07535601576 2.07754419985918 1.30606064932025 127.075382018668 "C7H10O2" 127.07535601576 0.56685882462213 0.204625891410509 127.075574244373 "C7H10O2" 127.07535601576 0.945830675085174 1.71731655806531 129.09108390255 "C7H12O2" 129.09100607956 0.168631328339575 0.602853694901326 131.049175570564 "C9H6O" 131.04914126586 0.509714986706681 0.261769773312007 131.049376883118 "C9H6O" 131.04914126586 1.02644463042826 1.79793057568662 133.064927298151 "C9H8O" 133.06479132966 0.250336351211823 1.02182169769629 135.044116878167 "C8H6O2" 135.04405588816 0.319854461932368 0.451630444592379 135.044203360548 "C8H6O2" 135.04405588816 0.320546285208052 1.09203168589875 135.044327465856 "C8H6O2" 135.04405588816 1.23954424801883 2.01103035754722 135.080555334188 "C9H10O" 135.08044139346 0.0720175722814306 0.84350278118667 137.059611 "C8H8O2" 137.05970595196 1.4642621042632 0.692778080641059 137.059829579825 "C8H8O2" 137.05970595196 0.130514820569244 0.90200007450193 137.096008386905 "C9H12O" 137.09609145726 1.37741205051386 0.60592795987589 137.096008386934 "C9H12O" 137.09609145726 1.37741183905529 0.605927748417319 137.0962229778 "C9H12O" 137.09609145726 0.187845771027137 0.959331069259402 137.096223261009 "C9H12O" 137.09609145726 0.189911539247708 0.961396839138472 137.132634373636 "C10H16" 137.13247696256 0.376390533578859 1.14787597722877 139.075436413401 "C8H10O2" 139.07535601576 0.193398107200187 0.578086896938466 139.075437251552 "C8H10O2" 139.07535601576 0.187371515920322 0.584113492918656 139.075438077895 "C8H10O2" 139.07535601576 0.181429827829847 0.590055185505093 139.075657338995 "C8H10O2" 139.07535601576 1.39513223978011 2.16661846947731 139.111759045347 "C9H14O" 139.11174152106 0.645511917232047 0.125972738153041 139.111759327331 "C9H14O" 139.11174152106 0.643484886310294 0.127999770504954 141.069714774956 "C11H8" 141.06987670736 1.91937156888366 1.14788789635079 141.09107540126 "C8H12O2" 141.09100607956 0.280158792853567 0.491326144286016 141.127515919829 "C9H16O" 141.12739158486 0.109527070302526 0.881012308136338 143.106736833058 "C8H14O2" 143.10665614336 0.207641911591673 0.563843081585299 143.106747317844 "C8H14O2" 143.10665614336 0.134376431049012 0.637108618531804 122.031729582056 "C7H4O2" 122.03176082436 1.02750216922641 0.256017808634792 122.031910477811 "C7H4O2" 122.03176082436 0.454862865967863 1.22634837023555 122.031910477811 "C7H4O2" 122.03176082436 0.454862865967863 1.22634837023555 122.068097517923 "C8H8O" 122.06814632966 1.17135709498149 0.399872845375484 122.068097517923 "C8H8O" 122.06814632966 1.17135709498149 0.399872845375484 122.068097517923 "C8H8O" 122.06814632966 1.17135709498149 0.399872845375484 122.104664227996 "C9H12" 122.10453183496 0.312774411413287 1.08425980598551 132.0524023 "C9H6O" 132.05249626586 1.4830635902409 0.711579581090286 132.0524023 "C9H6O" 132.05249626586 1.4830635902409 0.711579581090286 138.062769711912 "C8H8O2" 138.06306095196 2.88095411004656 2.10947117927005 138.063314108629 "C8H8O2" 138.06306095196 1.06214474082708 1.83363071360192 145.0647978 "C10H8O" 145.06479132966 0.23160805451764 0.0446031041565306 145.064798137177 "C10H8O" 145.06479132966 0.23393237493311 0.046927424180152 145.064798431228 "C10H8O" 145.06479132966 0.235959407543264 0.0489544563984574 145.101146559638 "C11H12" 145.10117683496 0.0216448313083043 0.208649734276678 145.101147975532 "C11H12" 145.10117683496 0.0118868522403385 0.198891756971589 145.101380561463 "C11H12" 145.10117683496 1.59103587787737 1.40403067326132 147.044179044524 "C9H6O2" 147.04405588816 1.02455248016907 0.837547381658829 147.080316009467 "C10H10O" 147.08044139346 0.665481053246733 0.852485835783122 147.080316611482 "C10H10O" 147.08044139346 0.661387952119774 0.84839273542912 147.080316883342 "C10H10O" 147.08044139346 0.659539575523873 0.846544359219698 147.116706878527 "C11H14" 147.11682689876 0.628811018593558 0.815815807942072 149.059468904565 "C9H8O2" 149.05970595196 1.40328022491653 1.59028486943581 149.059955264357 "C9H8O2" 149.05970595196 1.85957260207492 1.67256734740101 149.096105311228 "C10H12O" 149.09609145726 0.279924685552824 0.0929197262252704 149.132268466222 "C11H16" 149.13247696256 1.21105657506476 1.39806125557997 149.132268748331 "C11H16" 149.13247696256 1.2091649075899 1.39616958848627 149.132512576788 "C11H16" 149.13247696256 0.425814324006438 0.238809337419294 151.038974157049 "C8H6O3" 151.03897051046 0.211148311679211 0.0241433651827133 151.038974157078 "C8H6O3" 151.03897051046 0.211148503617381 0.0241435571208835 151.075099630601 "C9H10O2" 151.07535601576 1.51006341997452 1.6970680445913 151.075347279301 "C9H10O2" 151.07535601576 0.129176445846273 0.0578284852332326 151.075347569279 "C9H10O2" 151.07535601576 0.131095872285796 0.0559090591699681 151.075348189833 "C9H10O2" 151.07535601576 0.135203452335112 0.0518014798731703 151.075348501832 "C9H10O2" 151.07535601576 0.137268640647124 0.0497362919374166 151.075349373157 "C9H10O2" 151.07535601576 0.143036127768892 0.0439688059444243 151.111735640747 "C10H14O" 151.11174152106 0.148091261089388 0.03891367357704 153.054619927045 "C8H8O3" 153.05462057426 0.182776287362526 0.00422865389591792 153.054620565435 "C8H8O3" 153.05462057426 0.186947282676669 5.76593245611096e-05 153.090962015696 "C9H12O2" 153.09100607956 0.10082301980466 0.287827907977257 153.127316094464 "C10H16O" 153.12739158486 0.305985954931795 0.492990804706826 153.127570993099 "C10H16O" 153.12739158486 1.35863250445293 1.17162734341284 153.127571565923 "C10H16O" 153.12739158486 1.36237333824271 1.17536817646018 155.070453044212 "C8H10O3" 155.07027063806 1.36328576843742 1.17628060647648 155.106737838899 "C9H14O2" 155.10665614336 0.713710605662689 0.526705565230902 155.106738159445 "C9H14O2" 155.10665614336 0.715777222739794 0.528772181941527 155.106738473722 "C9H14O2" 155.10665614336 0.717803422435552 0.530798381270805 157.08579578477 "C8H12O3" 157.08592070186 0.608210267633585 0.795215060949788 157.085946439803 "C8H12O3" 157.08592070186 0.3508512478044 0.163846275185597 157.085947048667 "C8H12O3" 157.08592070186 0.354727242065349 0.167722268722821 157.121883176681 "C9H16O2" 157.12230620716 2.50535980447118 2.69236424292772 157.12214778151 "C9H16O2" 157.12230620716 0.821290337388313 1.00829509077275 157.122412358733 "C9H16O2" 157.12230620716 0.862603432131068 0.675598363818745 157.122412358791 "C9H16O2" 157.12230620716 0.86260380132568 0.675598733013358 159.080393298643 "C11H10O" 159.08044139346 0.1153252853055 0.302330170713288 161.059565775509 "C10H8O2" 161.05970595196 0.683333647173868 0.870338426347772 161.059841052847 "C10H8O2" 161.05970595196 1.02582996920003 0.838824870444545 161.096053241534 "C11H12O" 161.09609145726 0.050218275521541 0.237223173124809 163.038746167739 "C9H6O3" 163.03897051046 1.1890020473964 1.37600673198062 163.03874778808 "C9H6O3" 163.03897051046 1.17906367918065 1.36606836568244 163.039025195836 "C9H6O3" 163.03897051046 0.522417917451159 0.335412912806903 163.039025865484 "C9H6O3" 163.03897051046 0.526525206383673 0.339520200867794 163.039028106743 "C9H6O3" 163.03897051046 0.540271977316634 0.35326696936021 163.039028106758 "C9H6O3" 163.03897051046 0.540272069360042 0.353267061403619 163.039029044666 "C9H6O3" 163.03897051046 0.546024732017276 0.35901972284058 163.075347751637 "C10H10O2" 163.07535601576 0.136328219506617 0.0506767129792754 163.075348431731 "C10H10O2" 163.07535601576 0.140498648127701 0.0465062852296196 163.075348762482 "C10H10O2" 163.07535601576 0.142526858190597 0.0444780755152955 163.075349063808 "C10H10O2" 163.07535601576 0.14437463005048 0.0426303040039832 163.075627543535 "C10H10O2" 163.07535601576 1.85205006227625 1.66504480893031 163.111683131241 "C11H14O" 163.11174152106 0.17096947104674 0.357974346043198 163.111683432606 "C11H14O" 163.11174152106 0.169121872304544 0.356126747649495 165.054632733924 "C9H8O3" 165.05462057426 0.260675501465258 0.0736705457816718 165.054633050795 "C9H8O3" 165.05462057426 0.262595296566792 0.0755903405388142 165.054917933159 "C9H8O3" 165.05462057426 1.98858404085715 1.80157876196208 165.091062684938 "C10H12O2" 165.09100607956 0.529878790419471 0.342873784286866 165.091063019601 "C10H12O2" 165.09100607956 0.531905933206439 0.344900926729518 165.091063637205 "C10H12O2" 165.09100607956 0.535646925099767 0.348641917934215 165.091063637292 "C10H12O2" 165.09100607956 0.535647452074885 0.348642444909333 165.127220211145 "C11H16O" 165.12739158486 0.850822552299703 1.03782730024812 167.069883439913 "C9H10O3" 167.07027063806 2.13057207465886 2.31757658329553 167.070173905161 "C9H10O3" 167.07027063806 0.391990451548053 0.578995285280784 167.070174588906 "C9H10O3" 167.07027063806 0.387897891420746 0.57490272583395 167.070464677693 "C9H10O3" 167.07027063806 1.34843042200055 1.16142526283152 167.106692449551 "C10H14O2" 167.10665614336 0.404268566397383 0.21726358381031 167.106692449667 "C10H14O2" 167.10665614336 0.404269260669057 0.217264278081984 167.142934262498 "C11H18O" 167.14304164866 0.455475779993021 0.642480601889134 169.049393451754 "C8H8O4" 169.04953519656 0.651476112132036 0.838480897376082 169.04939644615 "C8H8O4" 169.04953519656 0.633762981272238 0.820767769710688 169.085972775605 "C9H12O3" 169.08592070186 0.494977093197876 0.307972093595359 169.085973819499 "C9H12O3" 169.08592070186 0.501150843188232 0.314145842409083 169.122267864849 "C10H16O2" 169.12230620716 0.0397086064979792 0.226713506105426 169.122270213149 "C10H16O2" 169.12230620716 0.0258233865073915 0.212828288635651 169.122270213265 "C10H16O2" 169.12230620716 0.0258227005102543 0.212827602638514 171.080509850501 "C12H10O" 171.08044139346 0.587150354496429 0.400145337620699 171.080510166407 "C12H10O" 171.08044139346 0.588996889819885 0.401991872611893 171.101530018729 "C9H14O3" 171.10157076566 0.0511397953427729 0.238144692791884 171.101531079244 "C9H14O3" 171.10157076566 0.0449416335595019 0.231946532171384 171.137875509749 "C10H18O2" 171.13795627096 0.284902213203831 0.471907066994175 171.137876913025 "C10H18O2" 171.13795627096 0.276702534485926 0.463707389770943 171.137877229445 "C10H18O2" 171.13795627096 0.274853616435988 0.461858472053155 171.137877553161 "C10H18O2" 171.13795627096 0.272962066143162 0.459966922092478 173.080595889975 "C8H12O4" 173.08083532416 1.19636156027543 1.38336624361967 173.080901779109 "C8H12O4" 173.08083532416 0.570958262415132 0.383953248679144 173.095876488337 "C12H12O" 173.09609145726 1.05490041457581 1.24190512437212 173.095877135651 "C12H12O" 173.09609145726 1.0511607917443 1.23816550219739 173.132248282129 "C13H16" 173.13247696256 1.13383605657692 1.32084075149265 173.13224860212 "C13H16" 173.13247696256 1.13198781267242 1.31899250791647 173.1328603 "C13H16" 173.13247696256 2.4011332119483 2.21412785595369 148.083550145682 "C10H10O" 148.08379639346 1.47589018931293 1.66289482030857 148.083550145682 "C10H10O" 148.08379639346 1.47589018931293 1.66289482030857 148.083550145682 "C10H10O" 148.08379639346 1.47589018931293 1.66289482030857 150.099338738694 "C10H12O" 150.09944645726 0.530643181968845 0.717647989662112 152.04228982968 "C8H6O3" 152.04232551046 0.0476717282591848 0.234676626274422 152.04228982968 "C8H6O3" 152.04232551046 0.0476717282591848 0.234676626274422 152.078775254603 "C9H10O2" 152.07871101576 0.609410251510487 0.422405230501694 152.078775254603 "C9H10O2" 152.07871101576 0.609410251510487 0.422405230501694 152.078775254603 "C9H10O2" 152.07871101576 0.609410251510487 0.422405230501694 152.078775254603 "C9H10O2" 152.07871101576 0.609410251510487 0.422405230501694 152.078775254603 "C9H10O2" 152.07871101576 0.609410251510487 0.422405230501694 152.078775254603 "C9H10O2" 152.07871101576 0.609410251510487 0.422405230501694 152.115022338309 "C10H14O" 152.11509652106 0.300670289311685 0.487675140097821 154.057848301939 "C8H8O3" 154.05797557426 0.639127845537439 0.826132633087455 154.057848301939 "C8H8O3" 154.05797557426 0.639127845537439 0.826132633087455 154.094290985006 "C9H12O2" 154.09436107956 0.267875863536499 0.454880720484245 154.130490423154 "C10H16O" 154.13074658486 1.47497204573425 1.66197667682257 154.130490423154 "C10H16O" 154.13074658486 1.47497204573425 1.66197667682257 154.130490423154 "C10H16O" 154.13074658486 1.47497204573425 1.66197667682257 164.042329495914 "C9H6O3" 164.04232551046 0.211300225220136 0.0242952786874248 164.042329495914 "C9H6O3" 164.04232551046 0.211300225220136 0.0242952786874248 164.042350246799 "C9H6O3" 164.04232551046 0.337797388683429 0.150792418587577 164.042350246799 "C9H6O3" 164.04232551046 0.337797388683429 0.150792418587577 164.042350246799 "C9H6O3" 164.04232551046 0.337797388683429 0.150792418587577 164.042350246799 "C9H6O3" 164.04232551046 0.337797388683429 0.150792418587577 164.042350246799 "C9H6O3" 164.04232551046 0.337797388683429 0.150792418587577 164.078703575507 "C10H10O2" 164.07871101576 0.141659300626031 0.0453456329240267 164.078703575507 "C10H10O2" 164.07871101576 0.141659300626031 0.0453456329240267 164.078703575507 "C10H10O2" 164.07871101576 0.141659300626031 0.0453456329240267 164.078703575507 "C10H10O2" 164.07871101576 0.141659300626031 0.0453456329240267 164.078703575507 "C10H10O2" 164.07871101576 0.141659300626031 0.0453456329240267 164.115092017902 "C11H14O" 164.11509652106 0.159565913231019 0.0274390236212101 164.115092017902 "C11H14O" 164.11509652106 0.159565913231019 0.0274390236212101 166.05809385444 "C9H8O3" 166.05797557426 0.899287514917901 0.712282439712346 166.05809385444 "C9H8O3" 166.05797557426 0.899287514917901 0.712282439712346 166.05809385444 "C9H8O3" 166.05797557426 0.899287514917901 0.712282439712346 166.094148326901 "C10H12O2" 166.09436107956 1.09390969829299 1.28091440078442 166.094148326901 "C10H12O2" 166.09436107956 1.09390969829299 1.28091440078442 166.094148326901 "C10H12O2" 166.09436107956 1.09390969829299 1.28091440078442 166.094148326901 "C10H12O2" 166.09436107956 1.09390969829299 1.28091440078442 168.073832371366 "C9H10O3" 168.07362563806 1.41702151281288 1.23001634076821 168.073832371366 "C9H10O3" 168.07362563806 1.41702151281288 1.23001634076821 168.073832371366 "C9H10O3" 168.07362563806 1.41702151281288 1.23001634076821 168.110096210011 "C10H14O2" 168.11001114336 0.693022794939735 0.506017758357209 168.110096210011 "C10H14O2" 168.11001114336 0.693022794939735 0.506017758357209 170.089422178279 "C9H12O3" 170.08927570186 1.04817885064429 0.861173747645385 170.089422178279 "C9H12O3" 170.08927570186 1.04817885064429 0.861173747645385 170.125448166927 "C10H16O2" 170.12566120716 1.06524748909472 1.25225219696461 170.125448166927 "C10H16O2" 170.12566120716 1.06524748909472 1.25225219696461 170.125448166927 "C10H16O2" 170.12566120716 1.06524748909472 1.25225219696461 172.104822618375 "C9H14O3" 172.10492576566 0.412323077294344 0.599327907263285 172.104822618375 "C9H14O3" 172.10492576566 0.412323077294344 0.599327907263285 175.075546676806 "C11H10O2" 175.07535601576 1.57711869095567 1.08902275186023 175.111612481644 "C12H14O" 175.11174152106 0.248802517579896 0.736897565454639 175.111613136819 "C12H14O" 175.11174152106 0.245061047662331 0.733156097322441 175.147998308558 "C13H18" 175.14812702636 0.246813192422882 0.7349082412964 175.147999717578 "C13H18" 175.14812702636 0.238768455050221 0.726863507818276 175.147999717724 "C13H18" 175.14812702636 0.238767621456829 0.726862674224884 175.148310441846 "C13H18" 175.14812702636 1.53529801629823 1.04720209764457 177.05459583337 "C10H8O3" 177.05462057426 0.348359420929876 0.139735918396306 177.090640294028 "C11H12O2" 177.09100607956 1.57742852087035 2.06552292015922 177.090957255896 "C11H12O2" 177.09100607956 0.212397115979836 0.275698157028086 177.127013874068 "C12H16O" 177.12739158486 1.64433014764691 2.1324245143602 177.127330536075 "C12H16O" 177.12739158486 0.143434910622448 0.344660328667667 177.127330871385 "C12H16O" 177.12739158486 0.145327955922045 0.342767284330825 177.1633986 "C13H20" 177.16377709016 1.64829133567939 2.1363857004719 177.163714368589 "C13H20" 177.16377709016 0.134063659997573 0.354031574786151 177.163715031585 "C13H20" 177.16377709016 0.137805939174156 0.350289297374256 177.163715381495 "C13H20" 177.16377709016 0.139781005173288 0.348314232337682 179.0702823 "C10H10O3" 179.07027063806 0.553220375796878 0.0651249364380387 179.070335262278 "C10H10O3" 179.07027063806 0.848983059639468 0.360887476005793 179.10662494346 "C11H14O2" 179.10665614336 0.313897999645619 0.174197322865418 179.106626007619 "C11H14O2" 179.10665614336 0.319839484773753 0.16825584059363 179.14297825563 "C12H18O" 179.14304164866 0.13422701074633 0.353868223998 179.142978255892 "C12H18O" 179.14304164866 0.134228473216293 0.353866761528037 179.142978948689 "C12H18O" 179.14304164866 0.138095759106296 0.349999477541878 179.143301 "C12H18O" 179.14304164866 1.93582937599084 1.44773326182896 179.143301035373 "C12H18O" 179.14304164866 1.93602683291663 1.44793071859609 181.049635523905 "C9H8O4" 181.04953519656 1.04223874677015 0.554143068717744 181.121900070031 "C11H16O2" 181.12230620716 1.75424202584743 2.24233633896216 181.122227868664 "C11H16O2" 181.12230620716 0.0555780888539829 0.432517107563338 181.158541822123 "C12H20O" 181.15869171246 0.339302984303676 0.827397987899543 183.080265933829 "C13H10O" 183.08044139346 0.470279584941815 0.958374524738048 183.0805983 "C13H10O" 183.08044139346 1.34513188483171 0.857036059071394 183.101540976288 "C10H14O3" 183.10157076566 0.325402174346796 0.162693153765989 183.101541686054 "C10H14O3" 183.10157076566 0.329278527438447 0.158816802537023 183.137787042488 "C11H18O2" 183.13795627096 0.435954188966074 0.924049145515437 185.080698695242 "C9H12O4" 185.08083532416 0.250117084669296 0.738212131799146 185.081036963993 "C9H12O4" 185.08083532416 1.57756494157478 1.08946900223947 185.117196150203 "C10H16O3" 185.11722082946 0.354778426313144 0.133316916085712 185.153365518928 "C11H20O2" 185.15360633476 0.812532510589009 1.30062728330262 185.15370431283 "C11H20O2" 185.15360633476 1.01726748117419 0.529171815377754 185.15370575437 "C11H20O2" 185.15360633476 1.0250531287046 0.536957459070574 187.0756398 "C12H10O2" 187.07535601576 2.00504763761256 1.51695148971449 187.096242074815 "C9H14O4" 187.09648538796 0.812374044162327 1.30046881694015 187.096584719501 "C9H14O4" 187.09648538796 1.01900644669763 0.530910780085066 187.096585874517 "C9H14O4" 187.09648538796 1.0251798205362 0.537084150885448 187.111354631899 "C13H14O" 187.11174152106 1.57959605158757 2.06769044989769 189.09044750283 "C12H12O2" 189.09100607956 2.46591607206236 2.95401003778927 189.091144991185 "C12H12O2" 189.09100607956 1.22272417528639 0.73462840918175 189.127435633917 "C13H16O" 189.12739158486 0.721002328819451 0.232906807632771 191.070268815373 "C11H10O3" 191.07027063806 0.478556048502808 0.00953935431719782 191.106423618302 "C12H14O2" 191.10665614336 0.728634434273902 1.21672924796266 191.106424400424 "C12H14O2" 191.10665614336 0.724541838022057 1.2126366536442 191.106424400511 "C12H14O2" 191.10665614336 0.724541382784891 1.21263619840703 191.106425115313 "C12H14O2" 191.10665614336 0.720801050866582 1.20889586827338 191.142944475175 "C13H18O" 191.14304164866 0.0202858110269772 0.508380970346822 193.049309403287 "C10H8O4" 193.04953519656 0.68151830315227 1.16961313975242 193.049669336381 "C10H8O4" 193.04953519656 1.18294238719486 0.694846640597248 193.085668574628 "C11H12O3" 193.08592070186 0.817682632490644 1.30577740262027 193.08566932306 "C11H12O3" 193.08592070186 0.813806470170882 1.30190124221408 193.122037213345 "C12H16O2" 193.12230620716 0.904772933588966 1.39286766126175 193.12203760483 "C12H16O2" 193.12230620716 0.90274579747363 1.3908405261766 193.122038327259 "C12H16O2" 193.12230620716 0.899005010952851 1.38709974142185 193.158416876848 "C13H20O" 193.15869171246 0.93475408328801 1.42284879632973 193.158777480649 "C13H20O" 193.15869171246 0.932125288371663 0.444029664081038 193.158778623119 "C13H20O" 193.15869171246 0.938039961500735 0.449944334414418 193.159138101845 "C13H20O" 193.15869171246 2.79909471549564 2.31099817995611 195.065107 "C10H10O4" 195.06518526036 0.0868941469977455 0.401201064629947 195.06510701891 "C10H10O4" 195.06518526036 0.0869910890269552 0.401104122746441 195.065107019056 "C10H10O4" 195.06518526036 0.0869918375066039 0.401103374266792 195.101305796369 "C11H14O3" 195.10157076566 0.870014726141773 1.35810947072271 195.101306595016 "C11H14O3" 195.10157076566 0.865921230548361 1.35401597716877 195.101306955531 "C11H14O3" 195.10157076566 0.864073397425165 1.35216814491963 195.101673011887 "C11H14O3" 195.10157076566 1.01216231534295 0.524066651980471 195.137880437045 "C12H18O2" 195.13795627096 0.0994782801949129 0.388616937679763 195.137880797773 "C12H18O2" 195.13795627096 0.101326860411975 0.386768358336597 195.137881167072 "C12H18O2" 195.13795627096 0.103219363510008 0.38487585611246 195.174098672467 "C13H22O" 195.17434177626 0.757477701401122 1.2455725008942 195.174464925586 "C13H22O" 195.17434177626 1.11906659444493 0.630970878988456 197.095936886287 "C14H12O" 197.09609145726 0.296146671063617 0.784241695776268 197.117101322122 "C11H16O3" 197.11722082946 0.118180369974241 0.606275481573011 197.117102086062 "C11H16O3" 197.11722082946 0.114304806184338 0.602399919657537 197.153501295288 "C12H20O2" 197.15360633476 0.0446847186949027 0.532779866200145 197.153501667965 "C12H20O2" 197.15360633476 0.0427944303521019 0.530889578722305 197.1535020573 "C12H20O2" 197.15360633476 0.0408196494095953 0.52891479878892 197.189594388953 "C13H24O" 197.18999184006 1.52748001444784 2.01557443811793 199.096425160656 "C10H14O4" 199.09648538796 0.185592159947071 0.302503099876914 199.096425978722 "C10H14O4" 199.09648538796 0.189701054232486 0.298394207590047 199.096426389748 "C10H14O4" 199.09648538796 0.191765511460977 0.29632975136083 199.096426389777 "C10H14O4" 199.09648538796 0.191765657212246 0.296329605609561 199.13262185615 "C11H18O3" 199.13287089326 0.7625129447613 1.25060774184656 199.132998567627 "C11H18O3" 199.13287089326 1.12924736181906 0.641151641287761 199.132999312453 "C11H18O3" 199.13287089326 1.13298771033186 0.644891988087834 199.168827191644 "C12H22O2" 199.16925639856 1.66689142766855 2.15498578330395 199.169204374221 "C12H22O2" 199.16925639856 0.226888606196865 0.261206673857479 199.169205565725 "C12H22O2" 199.16925639856 0.232870978113433 0.255224304794936 201.1118374 "C10H16O4" 201.11213545176 0.993923093165771 1.48201777736708 201.11183742187 "C10H16O4" 201.11213545176 0.993814347894051 1.48190903209536 201.11222133208 "C10H16O4" 201.11213545176 0.915122656390843 0.427027040448994 201.112221332138 "C10H16O4" 201.11213545176 0.915122944830468 0.427027328888619 201.127530486583 "C14H16O" 201.12739158486 1.17871138827569 0.690615643701327 203.1067260631 "C13H14O2" 203.10665614336 0.832346922822993 0.344251347254961 203.142875188634 "C14H18O" 203.14304164866 0.33132772344163 0.819422731042801 203.179013842862 "C15H22" 203.17942715396 1.54612284741557 2.03421726207404 176.114988480169 "C12H14O" 176.11509652106 0.125372409187932 0.613467517215949 176.114988480169 "C12H14O" 176.11509652106 0.125372409187932 0.613467517215949 180.109548958183 "C11H14O2" 180.11001114336 2.07803292512186 2.56612708006334 180.109548958183 "C11H14O2" 180.11001114336 2.07803292512186 2.56612708006334 182.125659378633 "C11H16O2" 182.12566120716 0.478055483073374 0.0100399195706221 182.125659378633 "C11H16O2" 182.12566120716 0.478055483073374 0.0100399195706221 184.14093655924 "C11H18O2" 184.14131127096 1.54681951888934 2.03491393321113 186.120659441291 "C10H16O3" 186.12057582946 0.937330380278179 0.449234753488673 190.094427496074 "C12H12O2" 190.09436107956 0.837482659368174 0.349387081294277 192.073289242579 "C11H10O3" 192.07362563806 1.26329364486071 1.75138819760683 192.110086432852 "C12H14O2" 192.11001114336 0.8800038161856 0.391908217351855 192.110086432852 "C12H14O2" 192.11001114336 0.8800038161856 0.391908217351855 192.110086432852 "C12H14O2" 192.11001114336 0.8800038161856 0.391908217351855 192.110086432852 "C12H14O2" 192.11001114336 0.8800038161856 0.391908217351855 194.052738134241 "C10H8O4" 194.05289019656 0.295517725310321 0.783612750291858 194.052738134241 "C10H8O4" 194.05289019656 0.295517725310321 0.783612750291858 194.089019073039 "C11H12O3" 194.08927570186 0.83412574734041 1.32222050949582 194.089019073039 "C11H12O3" 194.08927570186 0.83412574734041 1.32222050949582 194.125307872791 "C12H16O2" 194.12566120716 1.33203769199332 1.82013221118632 194.125307872791 "C12H16O2" 194.12566120716 1.33203769199332 1.82013221118632 194.125307872791 "C12H16O2" 194.12566120716 1.33203769199332 1.82013221118632 196.068471335955 "C10H10O4" 196.06854026036 0.136563037478786 0.351532198495888 196.068471335955 "C10H10O4" 196.06854026036 0.136563037478786 0.351532198495888 196.068471335955 "C10H10O4" 196.06854026036 0.136563037478786 0.351532198495888 196.141070519234 "C12H18O2" 196.14131127096 0.739345369329162 1.22744017781141 196.141070519234 "C12H18O2" 196.14131127096 0.739345369329162 1.22744017781141 196.141070519234 "C12H18O2" 196.14131127096 0.739345369329162 1.22744017781141 198.099316239164 "C14H12O" 198.09944645726 0.169241914147356 0.657337000776378 198.120642908004 "C11H16O3" 198.12057582946 0.826669916727958 0.338574343989283 198.120642908004 "C11H16O3" 198.12057582946 0.826669916727958 0.338574343989283 200.099945817696 "C10H14O4" 200.09984038796 1.01498132237499 0.526885657707169 200.099945817696 "C10H14O4" 200.09984038796 1.01498132237499 0.526885657707169 200.099945817696 "C10H14O4" 200.09984038796 1.01498132237499 0.526885657707169 200.099945817696 "C10H14O4" 200.09984038796 1.01498132237499 0.526885657707169 200.136035000942 "C11H18O3" 200.13622589326 0.465716978515561 0.953811920537116 200.136035000942 "C11H18O3" 200.13622589326 0.465716978515561 0.953811920537116 200.136035000942 "C11H18O3" 200.13622589326 0.465716978515561 0.953811920537116 202.115229039964 "C10H16O4" 202.11549045176 0.805283556204988 1.29337833245383 202.115229039964 "C10H16O4" 202.11549045176 0.805283556204988 1.29337833245383 202.115229039964 "C10H16O4" 202.11549045176 0.805283556204988 1.29337833245383 202.115229039964 "C10H16O4" 202.11549045176 0.805283556204988 1.29337833245383 204.109470048704 "C13H14O2" 204.11001114336 2.16290106769228 2.65099518132136 204.146258334786 "C14H18O" 204.14639664866 0.189427898097286 0.677522974914368 204.18266549657 "C15H22" 204.18278215396 0.0832429086999016 0.571338037314818 205.085738556457 "C12H12O3" 205.08592070186 0.00168092290306923 0.888141918241238 205.085741375682 "C12H12O3" 205.08592070186 0.0120656449181373 0.874395362615459 205.122003913835 "C13H16O2" 205.12230620716 0.587261863355211 1.47372233959399 205.158277263762 "C14H20O" 205.15869171246 1.13367717402272 2.02013716584151 205.15867079764 "C14H20O" 205.15869171246 0.784517096065776 0.101944596273139 205.158671202293 "C14H20O" 205.15869171246 0.786489487862836 0.0999722061385015 207.065405522783 "C11H10O4" 207.06518526036 1.95019742690874 1.06373470133323 207.101395772749 "C12H14O3" 207.10157076566 0.0414992578121398 0.844961775839516 207.101396575707 "C12H14O3" 207.10157076566 0.0453763831026614 0.841084653979885 207.137794594515 "C13H18O2" 207.13795627096 0.105935648043261 0.780525442627865 207.13779459501 "C13H18O2" 207.13795627096 0.105938037855935 0.780523052815192 207.137795825512 "C13H18O2" 207.13795627096 0.111878538207638 0.774582557814737 207.137796217575 "C13H18O2" 207.13795627096 0.113771302501732 0.772689795167182 207.137796217721 "C13H18O2" 207.13795627096 0.113772007357201 0.772689090311712 207.173806140478 "C14H22O" 207.17434177626 1.69897544976497 2.58543494048611 209.044265184133 "C10H8O5" 209.04444981886 0.00322909782451113 0.883231901884052 209.059679718072 "C14H8O2" 209.05970595196 0.760976524042892 0.125485147356602 209.080771734896 "C11H12O4" 209.08083532416 0.582324293060692 0.304137220025851 209.080771735071 "C11H12O4" 209.08083532416 0.582325130157437 0.304136382929106 209.080772175221 "C11H12O4" 209.08083532416 0.58443029851562 0.302031216338097 209.080773 "C11H12O4" 209.08083532416 0.588375087291849 0.298086431096217 209.116883794103 "C12H16O3" 209.11722082946 0.72524506028754 1.61170541416627 209.116884180701 "C12H16O3" 209.11722082946 0.723396344323761 1.60985669983344 209.116885382019 "C12H16O3" 209.11722082946 0.717651628086549 1.60411198876092 209.117288729704 "C12H16O3" 209.11722082946 1.21116150810229 0.324699437644752 209.117289585659 "C12H16O3" 209.11722082946 1.21525469448831 0.328792620361122 209.117290780975 "C12H16O3" 209.11722082946 1.2209707089298 0.334508629773839 209.15340895383 "C13H20O2" 209.15360633476 0.0572518278193127 0.943712773961358 209.153409809934 "C13H20O2" 209.15360633476 0.0531586411753714 0.939619590850536 209.153409810341 "C13H20O2" 209.15360633476 0.0531566952424938 0.939617644917658 209.153410196832 "C13H20O2" 209.15360633476 0.051308812514171 0.937769763820005 209.153410592301 "C13H20O2" 209.15360633476 0.0494180043003045 0.935878957372698 209.153411005601 "C13H20O2" 209.15360633476 0.0474419428917982 0.933902897730751 211.059857416649 "C10H10O5" 211.06009988266 0.262340032897497 1.14880079719998 211.096482130755 "C11H14O4" 211.09648538796 0.871031834148697 0.0154299348131533 211.096482949109 "C11H14O4" 211.09648538796 0.874908519958009 0.0115532525044422 211.132704705632 "C12H18O3" 211.13287089326 0.0993376621599484 0.787123422770219 211.132704705894 "C12H18O3" 211.13287089326 0.0993389031781666 0.787122181752001 211.13270513386 "C12H18O3" 211.13287089326 0.101365903235835 0.785095183444331 211.132705524301 "C12H18O3" 211.13287089326 0.103215171688518 0.783245916607031 211.16893742342 "C13H22O2" 211.16925639856 0.624058395319041 1.51051883898435 211.169071837655 "C13H22O2" 211.16925639856 0.0124658621811931 0.873995145694111 213.111838165792 "C11H16O4" 213.11213545176 0.508513829169812 1.39497437521627 213.111838606061 "C11H16O4" 213.11213545176 0.506447924211212 1.39290847212478 213.111839432109 "C11H16O4" 213.11213545176 0.502571801757347 1.38903235313841 213.111868075664 "C11H16O4" 213.11213545176 0.368165657696311 1.25462632817236 213.148164019479 "C12H20O3" 213.14852095706 0.788135328308807 1.6745956264964 213.14816441353 "C12H20O3" 213.14852095706 0.78628661108984 1.67274691087754 213.148582398839 "C12H20O3" 213.14852095706 1.17472009761556 0.288258059444571 213.184915977759 "C13H24O2" 213.18490646236 0.931096309530919 0.0446344873011579 215.127422324474 "C11H18O4" 215.12778551556 0.80179716114566 1.68825744719466 215.127844902766 "C11H18O4" 215.12778551556 1.16251751617179 0.276055488840834 217.121904200937 "C14H16O2" 217.12230620716 0.965059539129254 1.85151968040903 217.122333915963 "C14H16O2" 217.12230620716 1.01408030349799 0.12761840774085 217.1223343268 "C14H16O2" 217.12230620716 1.01597249679764 0.12951059933878 217.158400021856 "C15H20O" 217.15869171246 0.456753449782502 1.3432140417736 217.158830696782 "C15H20O" 217.15869171246 1.52647505626486 0.640012706294855 219.101161038611 "C13H14O3" 219.10157076566 0.983572333391695 1.8700324583331 219.137723042578 "C14H18O2" 219.13795627096 0.177838499812461 1.0642993389636 219.137723457462 "C14H18O2" 219.13795627096 0.17594524327353 1.06240608411074 219.174292944745 "C15H22O" 219.17434177626 0.66366399570649 0.222797589447282 221.080695673679 "C12H12O4" 221.08083532416 0.254789640703607 0.631671582018452 221.116873599366 "C13H16O3" 221.11722082946 0.683883577642658 1.57034396825793 221.153498294039 "C14H20O2" 221.15360633476 0.397928863853736 0.48853248566626 221.189691088034 "C15H24O" 221.18999184006 0.473239395983575 1.35969997327116 221.190133378424 "C15H24O" 221.18999184006 1.5263573235424 0.639894973672431 223.074691790747 "C15H10O2" 223.07535601576 2.09112217680127 2.97758131987558 223.075110179914 "C15H10O2" 223.07535601576 0.215569693743196 1.10203049949919 223.075114838962 "C15H10O2" 223.07535601576 0.194684140891996 1.08114496512223 223.09612279522 "C12H14O4" 223.09648538796 0.738812863865771 1.62527320577542 223.096123660197 "C12H14O4" 223.09648538796 0.734935717272502 1.62139606262186 223.132794410047 "C13H18O3" 223.13287089326 0.543691663335514 0.342769815459039 223.169028076179 "C14H22O2" 223.16925639856 0.136629780643497 1.02309065641098 223.169028517018 "C14H22O2" 223.16925639856 0.134654421700949 1.02111529912404 223.1690289 "C14H22O2" 223.16925639856 0.132938314644793 1.01939919359615 225.075783832446 "C11H12O5" 225.07574994646 1.03701561192284 0.150553695844466 225.112038668167 "C12H16O4" 225.11213545176 0.456526370246511 0.429935031267486 225.112039589733 "C12H16O4" 225.11213545176 0.460620182519244 0.425841222656171 225.112040005725 "C12H16O4" 225.11213545176 0.462468116482127 0.423993290334613 225.148302261493 "C13H20O3" 225.14852095706 0.084878201841258 0.971339123419449 225.1483031034 "C13H20O3" 225.14852095706 0.0811388580025327 0.967599782862844 225.184575869872 "C14H24O2" 225.18490646236 0.581632976799634 1.46809345797619 227.127382267807 "C12H18O4" 227.12778551556 0.888962168854 1.77542237762495 227.127382687583 "C12H18O4" 227.12778551556 0.887113974150936 1.77357418454865 227.127878381111 "C12H18O4" 227.12778551556 1.29533132331812 0.408869178203138 227.163675302016 "C13H22O3" 227.16417102086 1.29574539038637 2.1822052385269 229.122456513599 "C15H16O2" 229.12230620716 1.5424719927201 0.656009628589352 229.143400253236 "C12H20O4" 229.14343557936 0.732295658598941 0.154165987356109 229.143400253673 "C12H20O4" 229.14343557936 0.732297565754619 0.154164080200432 229.143401110495 "C12H20O4" 229.14343557936 0.736036807786408 0.150424841517576 231.137308283031 "C15H18O2" 231.13795627096 1.91700898384017 2.80346828125518 231.138251377798 "C15H18O2" 231.13795627096 2.16321919790825 1.27675628349932 233.117227402223 "C14H16O3" 233.11722082946 0.914656906088738 0.0281950984803742 233.1530547 "C15H20O2" 233.15360633476 1.47951169589796 2.36597138115342 233.153532445899 "C15H20O2" 233.15360633476 0.56955085137648 0.316910650329077 208.140734794865 "C13H18O2" 208.14131127096 1.88317872020336 2.76963804761896 208.140734794865 "C13H18O2" 208.14131127096 1.88317872020336 2.76963804761896 208.140734794865 "C13H18O2" 208.14131127096 1.88317872020336 2.76963804761896 208.140734794865 "C13H18O2" 208.14131127096 1.88317872020336 2.76963804761896 208.140734794865 "C13H18O2" 208.14131127096 1.88317872020336 2.76963804761896 210.062734721034 "C14H8O2" 210.06306095196 0.666553839053613 1.55301424506713 210.083979167979 "C11H12O4" 210.08419032416 0.118641780184784 1.00510267178895 210.083979167979 "C11H12O4" 210.08419032416 0.118641780184784 1.00510267178895 210.083979167979 "C11H12O4" 210.08419032416 0.118641780184784 1.00510267178895 210.083979167979 "C11H12O4" 210.08419032416 0.118641780184784 1.00510267178895 210.120351012317 "C12H16O3" 210.12057582946 0.183482659441714 1.06994349365897 210.120351012317 "C12H16O3" 210.12057582946 0.183482659441714 1.06994349365897 210.120351012317 "C12H16O3" 210.12057582946 0.183482659441714 1.06994349365897 210.120352607852 "C12H16O3" 210.12057582946 0.175889227037803 1.06235006788298 210.120352607852 "C12H16O3" 210.12057582946 0.175889227037803 1.06235006788298 210.120352607852 "C12H16O3" 210.12057582946 0.175889227037803 1.06235006788298 212.100156161221 "C11H14O4" 212.09984038796 2.3752584755475 1.48879537311363 212.100156161221 "C11H14O4" 212.09984038796 2.3752584755475 1.48879537311363 212.136222384055 "C12H18O3" 212.13622589326 0.869919543901935 0.0165422240933319 212.136222384055 "C12H18O3" 212.13622589326 0.869919543901935 0.0165422240933319 212.136222384055 "C12H18O3" 212.13622589326 0.869919543901935 0.0165422240933319 212.136222384055 "C12H18O3" 212.13622589326 0.869919543901935 0.0165422240933319 212.136222384055 "C12H18O3" 212.13622589326 0.869919543901935 0.0165422240933319 214.151803145384 "C12H20O3" 214.15187595706 0.54646130308974 0.340000178153895 214.151803145384 "C12H20O3" 214.15187595706 0.54646130308974 0.340000178153895 214.151803145384 "C12H20O3" 214.15187595706 0.54646130308974 0.340000178153895 216.131018714028 "C11H18O4" 216.13114051556 0.322907453110547 0.563553829924406 216.131018714086 "C11H18O4" 216.13114051556 0.322907721506433 0.56355356152852 218.124808268872 "C14H16O2" 218.12566120716 3.02384862922539 3.91030694547915 224.078179612933 "C15H10O2" 224.07871101576 1.48504105073755 2.37150073108116 224.078179612933 "C15H10O2" 224.07871101576 1.48504105073755 2.37150073108116 224.078179612933 "C15H10O2" 224.07871101576 1.48504105073755 2.37150073108116 224.09977999784 "C12H14O4" 224.09984038796 0.616982904674303 0.269478639108786 224.09977999784 "C12H14O4" 224.09984038796 0.616982904674303 0.269478639108786 224.136699374646 "C13H18O3" 224.13622589326 2.99893514051695 2.11247148530717 224.17227796171 "C14H22O2" 224.17261139856 0.600950722942109 1.48741118700085 224.17227796171 "C14H22O2" 224.17261139856 0.600950722942109 1.48741118700085 224.17227796171 "C14H22O2" 224.17261139856 0.600950722942109 1.48741118700085 226.115658150381 "C12H16O4" 226.11549045176 1.62811273857065 0.741650298542516 226.115658150381 "C12H16O4" 226.11549045176 1.62811273857065 0.741650298542516 226.115658150381 "C12H16O4" 226.11549045176 1.62811273857065 0.741650298542516 226.115658150381 "C12H16O4" 226.11549045176 1.62811273857065 0.741650298542516 226.115658150381 "C12H16O4" 226.11549045176 1.62811273857065 0.741650298542516 226.151708110935 "C13H20O3" 226.15187595706 0.144277915848729 0.742183208831159 226.151708110935 "C13H20O3" 226.15187595706 0.144277915848729 0.742183208831159 228.131137648228 "C12H18O4" 228.13114051556 0.873892983212467 0.0125687882583594 228.131137648228 "C12H18O4" 228.13114051556 0.873892983212467 0.0125687882583594 228.131137648228 "C12H18O4" 228.13114051556 0.873892983212467 0.0125687882583594 230.146484831408 "C12H20O4" 230.14679057936 0.442030447263952 1.32849105222901 230.146953774896 "C12H20O4" 230.14679057936 1.59555566246757 0.709093251281706 230.146953774896 "C12H20O4" 230.14679057936 1.59555566246757 0.709093251281706 230.146953774896 "C12H20O4" 230.14679057936 1.59555566246757 0.709093251281706 232.141187744448 "C15H18O2" 232.14131127096 0.354343562016136 0.532117748979969 232.141187744448 "C15H18O2" 232.14131127096 0.354343562016136 0.532117748979969 234.120588943507 "C14H16O3" 234.12057582946 0.942475905212593 0.0560140728629338 235.096230632649 "C13H14O4" 235.09648538796 0.331311688249821 1.08362024461755 235.132374876127 "C14H18O3" 235.13287089326 0.694587984191889 2.1095184655309 235.169150288447 "C15H22O2" 235.16925639856 0.963725409593842 0.451207418094866 235.169150733663 "C15H22O2" 235.16925639856 0.965618584835437 0.449314245512112 235.169152124204 "C15H22O2" 235.16925639856 0.97153153031254 0.443401308494957 235.205451195562 "C16H26O" 235.20564190386 0.604117168155145 0.810815150729106 237.075276506845 "C12H12O5" 237.07574994646 0.582066585482719 1.99699722605087 237.111528356828 "C13H16O4" 237.11213545176 1.14544072076802 2.56037056412545 237.112018303045 "C13H16O4" 237.11213545176 0.920868155900198 0.494064611111535 237.112019670828 "C13H16O4" 237.11213545176 0.926636671114497 0.488296104167997 237.112020584482 "C13H16O4" 237.11213545176 0.930489933491012 0.484442847185457 237.148278581511 "C14H20O3" 237.14852095706 0.392890861985801 1.02204115806716 237.148279500834 "C14H20O3" 237.14852095706 0.396767438105382 1.01816458734073 237.148279949358 "C14H20O3" 237.14852095706 0.398658761918705 1.0162732662839 237.148280862976 "C14H20O3" 237.14852095706 0.402511281365084 1.01242075223067 237.184549014468 "C15H24O2" 237.18490646236 0.0921118308148379 1.50704316453219 239.09096963952 "C12H14O5" 239.09140001026 0.385095095760414 1.80002601504209 239.091465239598 "C12H14O5" 239.09140001026 1.6877556181587 0.272821766021986 239.091466660302 "C12H14O5" 239.09140001026 1.69369772236327 0.278763861786514 239.127684826415 "C13H18O4" 239.12778551556 0.993864508206915 0.421068362186777 239.16391307677 "C14H22O3" 239.16417102086 0.336408811320849 1.07852312872874 239.200148633619 "C15H26O2" 239.20055652616 0.290301354665548 1.7052324080232 239.200149558732 "C15H26O2" 239.20055652616 0.286433828935788 1.70136488775915 241.143534662207 "C13H20O4" 241.14343557936 1.82582164552564 0.41088759798518 241.179216290616 "C14H24O3" 241.17982108466 1.09271786642804 2.50764778443825 241.179719354861 "C14H24O3" 241.17982108466 0.993132245376036 0.421800623931215 241.179719830955 "C14H24O3" 241.17982108466 0.995106269138665 0.419826602996853 241.21591176674 "C15H28O2" 241.21620658996 0.192695369798609 1.22223636699417 243.159055063238 "C13H22O4" 243.15908564316 1.28917232010034 0.125760968153109 245.153563564879 "C16H20O2" 245.15360633476 1.24047165753684 0.174461561709678 247.132563190861 "C15H18O3" 247.13287089326 0.169842785664374 1.24508891871248 247.1330845 "C15H18O3" 247.13287089326 2.27927434265488 0.864339653532933 247.169061870882 "C16H22O2" 247.16925639856 0.627910208879589 0.787022143665835 249.111879997877 "C14H16O4" 249.11213545176 0.389474614118951 1.02545740108761 249.111880458264 "C14H16O4" 249.11213545176 0.391322728289341 1.02360928954133 249.111880929162 "C14H16O4" 249.11213545176 0.393213036202746 1.02171898425204 249.111881421301 "C14H16O4" 249.11213545176 0.395188611251736 1.01974341205535 249.148289361848 "C15H20O3" 249.14852095706 0.485385344386769 0.929546806500677 249.14828983264 "C15H20O3" 249.14852095706 0.487274950853654 0.927657202657526 249.148290324881 "C15H20O3" 249.14852095706 0.48925064680731 0.925681509555753 249.148816119305 "C15H20O3" 249.14852095706 2.59961905654074 1.18468391414082 249.184706718958 "C16H24O2" 249.18490646236 0.613345250152482 0.801587081771596 249.184708192318 "C16H24O2" 249.18490646236 0.619257976212125 0.795674364152298 249.184709150717 "C16H24O2" 249.18490646236 0.623104117411847 0.791828228313335 251.09104322386 "C13H14O5" 251.09140001026 0.00601087855519502 1.42094233410668 251.127353385822 "C14H18O4" 251.12778551556 0.30582534410588 1.72075637548549 251.1273553 "C14H18O4" 251.12778551556 0.298203006751855 1.71313404888321 251.163670915028 "C15H22O3" 251.16417102086 0.576220517323404 1.99115116607055 251.16367185425 "C15H22O3" 251.16417102086 0.572481037592475 1.98741169165813 251.163671854453 "C15H22O3" 251.16417102086 0.572480229291396 1.98741088335705 251.19999822998 "C16H26O2" 251.20055652616 0.807581394791001 2.22251171623055 251.200533002989 "C16H26O2" 251.20055652616 1.32129034448569 0.0936429891731829 253.106314880516 "C13H16O5" 253.10705007406 1.4897449456884 2.90467430193439 253.143063541297 "C14H20O4" 253.14343557936 0.0547415761771578 1.46967296278406 253.179819702577 "C15H24O3" 253.17982108466 1.40947455960121 0.00545889876786833 255.158526297006 "C14H22O4" 255.15908564316 0.777216360867221 2.19214672523214 255.159072759181 "C14H22O4" 255.15908564316 1.36443948813406 0.0504939065466378 255.159073713115 "C14H22O4" 255.15908564316 1.36817807877607 0.0467553212512688 255.231286497577 "C16H30O2" 255.23185665376 0.818945161700135 2.23387546704844 257.174356613731 "C14H24O4" 257.17473570696 0.0591373221723937 1.47406870263639 257.1892988 "C18H24O" 257.18999184006 1.27973219959846 2.69466185289266 259.205236189027 "C18H26O" 259.20564190386 0.150292522230509 1.56522377373226 261.148641982929 "C16H20O3" 261.14852095706 1.87837105257089 0.463436930744253 263.127158569519 "C15H18O4" 263.12778551556 0.967737473861687 2.38266756878954 263.1271586 "C15H18O4" 263.12778551556 0.967621632899069 2.38255172782692 263.127731809573 "C15H18O4" 263.12778551556 1.21082707383222 0.204106103407518 263.127733321539 "C15H18O4" 263.12778551556 1.21657321024924 0.198359975199629 236.136126311307 "C14H18O3" 236.13622589326 0.993218866833058 0.421714002601011 236.172650875728 "C15H22O2" 236.17261139856 1.58208758115302 0.167153878548183 236.172650875728 "C15H22O2" 236.17261139856 1.58208758115302 0.167153878548183 236.172650875728 "C15H22O2" 236.17261139856 1.58208758115302 0.167153878548183 238.115175445505 "C13H16O4" 238.11549045176 0.0920178502639935 1.32291374406528 238.115175445505 "C13H16O4" 238.11549045176 0.0920178502639935 1.32291374406528 238.115175445505 "C13H16O4" 238.11549045176 0.0920178502639935 1.32291374406528 238.115175445505 "C13H16O4" 238.11549045176 0.0920178502639935 1.32291374406528 238.151171996838 "C14H20O3" 238.15187595706 1.54100049492646 2.95592977865229 238.151171996838 "C14H20O3" 238.15187595706 1.54100049492646 2.95592977865229 238.151171996838 "C14H20O3" 238.15187595706 1.54100049492646 2.95592977865229 238.151171996838 "C14H20O3" 238.15187595706 1.54100049492646 2.95592977865229 238.187671383933 "C15H24O2" 238.18826146236 1.06243153196869 2.47736149284872 240.131188700827 "C13H18O4" 240.13114051556 1.61559605037606 0.20066230025666 240.167145765471 "C14H22O3" 240.16752602086 0.168361050590829 1.58329227651358 242.1471261 "C13H20O4" 242.14679057936 2.80054388022674 1.38560845352832 242.182525450987 "C14H24O3" 242.18317608466 1.27160572350397 2.68653538836602 242.182525450987 "C14H24O3" 242.18317608466 1.27160572350397 2.68653538836602 242.182525450987 "C14H24O3" 242.18317608466 1.27160572350397 2.68653538836602 244.1624692 "C13H22O4" 244.16244064316 1.53189199721785 0.116958365577935 250.11524500073 "C14H16O4" 250.11549045176 0.433581304166121 0.981350773411203 250.11524500073 "C14H16O4" 250.11549045176 0.433581304166121 0.981350773411203 250.11524500073 "C14H16O4" 250.11549045176 0.433581304166121 0.981350773411203 250.11524500073 "C14H16O4" 250.11549045176 0.433581304166121 0.981350773411203 250.187982175617 "C16H24O2" 250.18826146236 0.298625544564825 1.11630634212076 250.187982175617 "C16H24O2" 250.18826146236 0.298625544564825 1.11630634212076 250.187982175617 "C16H24O2" 250.18826146236 0.298625544564825 1.11630634212076 252.130576939025 "C14H18O4" 252.13114051556 0.820321295671183 2.2352515990223 252.130576939025 "C14H18O4" 252.13114051556 0.820321295671183 2.2352515990223 252.167111845647 "C15H22O3" 252.16752602086 0.227529405874148 1.64246054807667 252.167111845647 "C15H22O3" 252.16752602086 0.227529405874148 1.64246054807667 252.167111845647 "C15H22O3" 252.16752602086 0.227529405874148 1.64246054807667 252.203655640725 "C16H26O2" 252.20391152616 0.400334622217215 1.01459740829246 252.203655640725 "C16H26O2" 252.20391152616 0.400334622217215 1.01459740829246 254.1464384 "C14H20O4" 254.14679057936 0.0291994282985264 1.38573207708093 256.1623665573 "C14H22O4" 256.16244064316 1.12571868237406 0.289214374477383 256.1623665573 "C14H22O4" 256.16244064316 1.12571868237406 0.289214374477383 256.1623665573 "C14H22O4" 256.16244064316 1.12571868237406 0.289214374477383 258.177350348509 "C14H24O4" 258.17809070696 1.45269754219207 2.86762695083233 265.1427276 "C15H20O4" 265.14343557936 0.998382277249119 2.6701749506585 265.1427297 "C15H20O4" 265.14343557936 0.990462022549474 2.66225470925088 265.179232828615 "C16H24O3" 265.17982108466 0.546535411376705 2.21832884030001 265.179233850107 "C16H24O3" 265.17982108466 0.5426833321209 2.21447676747494 265.252841444825 "C18H32O" 265.25259209526 2.61184443302247 0.940045723955873 267.12236751965 "C14H18O5" 267.12270013786 0.426606197444182 1.24518885824288 267.12236904666 "C14H18O5" 267.12270013786 0.432322718565381 1.23947234669763 267.122369547836 "C14H18O5" 267.12270013786 0.434198923125232 1.23759614532976 267.122418171045 "C14H18O5" 267.12270013786 0.616224974344789 1.05557039841264 267.158694267095 "C15H22O4" 267.15908564316 0.206839588287928 1.46495509994922 269.174623642775 "C15H24O4" 269.17473570696 1.25547139244278 0.416325048997421 269.190034324818 "C19H24O" 269.18999184006 1.82962183499682 0.157824433670973 273.22099917518 "C19H28O" 273.22129196766 0.600164076237146 1.07163126971572 275.200046063441 "C18H26O2" 275.20055652616 0.183081278827829 1.8548753152189 277.215548404996 "C18H28O2" 277.21620658996 0.702472651690897 2.37426581972913 279.122437941579 "C15H18O5" 279.12270013786 0.732437066702734 0.939358500396356 279.122437941754 "C15H18O5" 279.12270013786 0.732437693741977 0.939357873357113 279.23135454172 "C18H30O2" 279.23185665376 0.126396254553331 1.79819038567926 279.231355640483 "C18H30O2" 279.23185665376 0.122461299271082 1.79425543711485 281.13761021831 "C15H20O5" 281.13835020166 0.960304056142152 2.63209679316573 281.137610738539 "C15H20O5" 281.13835020166 0.958453615084006 2.63024635534263 281.138243293062 "C15H20O5" 281.13835020166 1.29152608336664 0.380270418236245 281.174303000536 "C16H24O4" 281.17473570696 0.132871009079202 1.53892355560869 283.190032092455 "C16H26O4" 283.19038577076 0.422888579725451 1.24890646980384 283.190033711306 "C16H26O4" 283.19038577076 0.428605065011239 1.24318999395213 283.190034825775 "C16H26O4" 283.19038577076 0.432540477131393 1.2392545884559 283.262312527003 "C18H34O2" 283.26315678136 1.3086673113547 2.98045946597623 287.200184358761 "C19H26O2" 287.20055652616 0.375949992525095 1.2958449785359 289.179529598855 "C18H24O3" 289.17982108466 0.663821231031105 1.0079742212214 291.231420762583 "C19H30O2" 291.23185665376 0.175079330688238 1.4967153044789 266.14610143058 "C15H20O4" 266.14679057936 0.917563157300656 2.58935596592176 266.14610143058 "C15H20O4" 266.14679057936 0.917563157300656 2.58935596592176 266.182811998121 "C16H24O3" 266.18317608466 0.303990377331071 1.36780447335256 266.182811998121 "C16H24O3" 266.18317608466 0.303990377331071 1.36780447335256 278.21853290475 "C18H28O2" 278.21956158996 2.02559539609604 3.69738635232981 284.194143062649 "C16H26O4" 284.19374077076 3.08735456836633 1.41555506444424 284.194143062649 "C16H26O4" 284.19374077076 3.08735456836633 1.41555506444424 284.194143062649 "C16H26O4" 284.19374077076 3.08735456836633 1.41555506444424 299.236443896427 "C21H30O" 299.23694203146 0.651756068302325 1.66468427872214 303.194973778509 "C19H26O3" 303.19547114846 0.62749848102663 1.64042671588087 303.194974339572 "C19H26O3" 303.19547114846 0.625647979815064 1.63857621654412 303.194974912944 "C19H26O3" 303.19547114846 0.623756880884793 1.63668511967614 303.194976080426 "C19H26O3" 303.19547114846 0.619906285233851 1.6328345279623 307.189946735382 "C18H26O4" 307.19038577076 0.416267900630724 1.42919634952033 307.189947923199 "C18H26O4" 307.19038577076 0.41240118405448 1.42532963682999 307.18994792349 "C18H26O4" 307.19038577076 0.412400236634515 1.42532868941003 319.189936569937 "C19H26O4" 319.19038577076 0.394384665565221 1.40731313659619 321.205872158847 "C19H28O4" 321.20603583456 0.503363261639355 0.509566118743638 321.205872765715 "C19H28O4" 321.20603583456 0.505252605459811 0.507676776869838 323.184827444901 "C18H26O5" 323.18530039306 0.450467843125308 1.4633962573597 323.184828083672 "C18H26O5" 323.18530039306 0.448491355572382 1.46141977191739 300.2405905 "C21H30O" 300.24029703146 1.99037642915533 0.977445542485022 308.1930418 "C18H26O4" 308.19374077076 1.25503137428853 2.26795897354048 308.1930418 "C18H26O4" 308.19374077076 1.25503137428853 2.26795897354048 308.1930418 "C18H26O4" 308.19374077076 1.25503137428853 2.26795897354048 320.193218960245 "C19H26O4" 320.19374077076 0.616742945498346 1.62967119125355 324.188220066161 "C18H26O5" 324.18865539306 0.329891120366754 1.34281965682138 324.188220066161 "C18H26O5" 324.18865539306 0.329891120366754 1.34281965682138