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view test-data/compound_fragments_result.txt @ 6:77abacd33c31 draft
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| author | workflow4metabolomics |
|---|---|
| date | Fri, 30 Sep 2022 16:18:56 +0000 |
| parents | 78d5a12406c2 |
| children |
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"compoundName" "inchikey" "elemcomposition" "fragment" "fragment_mz" "ppm" "fileid" "CorWithPrecursor" "AbsoluteIntensity" "relativeIntensity" "corValid" "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 83.995 NA "7" 0.601436519480403 406.383798606 0.00344160476662782 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 122.888 NA "7" -0.167860259307508 295.871994004 0.00250569650751035 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 125.993 NA "7" 0.907929868611774 430.137959956 0.00364277527394095 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 137.011 NA "7" 0.676403388268515 430.806630151 0.00364843814371653 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 145.902 NA "7" -0.125051837812104 538.358772757 0.00455928145962519 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 148.003 NA "7" 0.1558553290912 143.310915941 0.00121367912083162 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 148.956 NA "7" -0.276972713799663 617.416199707 0.00522880720932724 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 149.919 NA "7" -0.410733329402461 5080.527405 0.0430262411887723 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 150.92 NA "7" -0.243340932574313 218.539256565 0.00185077690023418 FALSE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 154.063 NA "7" 0.991757449276389 16836.882397703 0.14258908675458 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 163.93 NA "7" 0.146040591250743 1829.10214243 0.0154903976822645 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 180.131 NA "7" 0.39213526382476 209.753137589 0.00177636854770712 TRUE "2-diethylamino-6-methyl pyrimidin-4-ol one" NA NA NA 182.099 NA "7" 1 118079.7407496 1 TRUE "5-hydroxy-thiabendazole" NA NA NA 131.953 NA "1" 0.710501933879621 105.532976149 6.84594522892331e-05 TRUE "5-hydroxy-thiabendazole" NA NA NA 143.959 NA "1" 0.276479394498518 203.085251814 0.00013174180824369 TRUE "5-hydroxy-thiabendazole" NA NA NA 146.026 NA "1" 0.604633971720309 166.134730821 0.000107771931516144 TRUE "5-hydroxy-thiabendazole" NA NA NA 156.031 NA "1" 0.191791879044897 459.381193152 0.000298001496998986 TRUE "5-hydroxy-thiabendazole" NA NA NA 157.917 NA "1" -0.331971393756239 13878.1056368 0.00900275482959977 FALSE "5-hydroxy-thiabendazole" NA NA NA 159.915 NA "1" 0.77523958114776 386.949028017 0.000251014606889261 TRUE "5-hydroxy-thiabendazole" NA NA NA 162.008 NA "1" -0.476769537229124 213.45186329 0.000138466649801652 FALSE "5-hydroxy-thiabendazole" NA NA NA 171.928 NA "1" 0.593280623618274 794.89456843 0.000515649693282338 TRUE "5-hydroxy-thiabendazole" NA NA NA 173.03 NA "1" 0.89953946593837 207.738348006 0.000134760281031794 TRUE "5-hydroxy-thiabendazole" NA NA NA 173.955 NA "1" 0.150820546879602 1525.52666664 0.000989612193854381 TRUE "5-hydroxy-thiabendazole" NA NA NA 174.943 NA "1" 0.646696639290413 163.18886233 0.000105860940745588 TRUE "5-hydroxy-thiabendazole" NA NA NA 175.947 NA "1" 0.506660895270366 1125.51529793 0.000730124020482966 TRUE "5-hydroxy-thiabendazole" NA NA NA 177.081 NA "1" -0.349150043770229 185.412219041 0.000120277276605531 FALSE "5-hydroxy-thiabendazole" NA NA NA 185.962 NA "1" -0.386785516946622 13148.1585083 0.00852923667024592 FALSE "5-hydroxy-thiabendazole" NA NA NA 187.958 NA "1" -0.333885650073135 540.530680192 0.000350643331229711 FALSE "5-hydroxy-thiabendazole" NA NA NA 189.973 NA "1" 0.710817170481525 358.462937357 0.000232535623015143 TRUE "5-hydroxy-thiabendazole" NA NA NA 191.023 NA "1" 0.943541098312933 285.348824959 0.000185106352354628 TRUE "5-hydroxy-thiabendazole" NA NA NA 199.973 NA "1" 0.285023586376285 2249.33108917 0.00145914556758363 TRUE "5-hydroxy-thiabendazole" NA NA NA 203.906 NA "1" 0.272327432166324 220.729373931 0.000143187585481591 TRUE "5-hydroxy-thiabendazole" NA NA NA 217.969 NA "1" 1 1541539.884122 1 TRUE "5-hydroxy-thiabendazole" NA NA NA 219.035 NA "1" 0.989745977797565 55751.12976688 0.0361658691683048 TRUE "acetamiprid-N-desmethyl" NA NA NA 98.903 NA "2" 0.667400010170284 282.404261107 0.000748607853773036 TRUE "acetamiprid-N-desmethyl" NA NA NA 107.007 NA "2" 0.644182822419527 250.776102526 0.000664766739544435 TRUE "acetamiprid-N-desmethyl" NA NA NA 121.054 NA "2" 0.468461643454679 182.548945409 0.000483907621278365 TRUE "acetamiprid-N-desmethyl" NA NA NA 125.902 NA "2" 0.99471830230169 148406.8197 0.393402388283387 TRUE "acetamiprid-N-desmethyl" NA NA NA 126.975 NA "2" 0.685580673617811 301.425851346 0.000799031001739535 TRUE "acetamiprid-N-desmethyl" NA NA NA 131.057 NA "2" 0.71686560485514 235.917765632 0.00062537970037848 TRUE "acetamiprid-N-desmethyl" NA NA NA 131.996 NA "2" 0.825023006886452 3437.337815361 0.00911182456866446 TRUE "acetamiprid-N-desmethyl" NA NA NA 133.055 NA "2" 0.609229728784487 1059.475870153 0.00280849854804084 TRUE "acetamiprid-N-desmethyl" NA NA NA 135.007 NA "2" -0.0630703589928776 1620.073705625 0.00429455240855075 FALSE "acetamiprid-N-desmethyl" NA NA NA 138.935 NA "2" 0.388512588178974 560.54565096 0.00148591552783965 TRUE "acetamiprid-N-desmethyl" NA NA NA 140.981 NA "2" 0.971318347491603 11361.06560494 0.0301163406874599 TRUE "acetamiprid-N-desmethyl" NA NA NA 146.013 NA "2" 0.677368485127156 744.749183894 0.00197420919205914 TRUE "acetamiprid-N-desmethyl" NA NA NA 147.042 NA "2" 0.814646347538386 171.753984928 0.00045529193337915 TRUE "acetamiprid-N-desmethyl" NA NA NA 149.011 NA "2" -0.156704527239734 1569.49830252 0.00416048522477764 FALSE "acetamiprid-N-desmethyl" NA NA NA 150.987 NA "2" 0.451637386634768 547.910546303 0.00145242191643876 TRUE "acetamiprid-N-desmethyl" NA NA NA 153.048 NA "2" 0.307104196288287 353.766232977 0.00093777685707774 TRUE "acetamiprid-N-desmethyl" NA NA NA 156.045 NA "2" 0.486407391413412 347.237878558 0.000920471249254685 TRUE "acetamiprid-N-desmethyl" NA NA NA 158.997 NA "2" 0.161971228755214 544.50952719 0.00144340636685447 TRUE "acetamiprid-N-desmethyl" NA NA NA 162.993 NA "2" -0.0146119879123163 804.357781409 0.00213222190786309 FALSE "acetamiprid-N-desmethyl" NA NA NA 164.96 NA "2" 0.907832718528441 5504.73675146 0.0145921635493123 TRUE "acetamiprid-N-desmethyl" NA NA NA 166.957 NA "2" 0.967321684550227 14122.07723917 0.0374353343373474 TRUE "acetamiprid-N-desmethyl" NA NA NA 168.02 NA "2" 0.977465016016083 20360.7667386 0.0539730874796597 TRUE "acetamiprid-N-desmethyl" NA NA NA 173.048 NA "2" 0.825972891702218 4449.28006372 0.0117943192014181 TRUE "acetamiprid-N-desmethyl" NA NA NA 174.07 NA "2" 0.438640287775404 357.580513016 0.00094788789429259 TRUE "acetamiprid-N-desmethyl" NA NA NA 174.963 NA "2" -0.153796105444945 275.919033053 0.000731416566942933 FALSE "acetamiprid-N-desmethyl" NA NA NA 176.921 NA "2" -0.495623187250053 34391.2702636 0.0911656747658185 FALSE "acetamiprid-N-desmethyl" NA NA NA 178.923 NA "2" 0.00427133435060827 165.392969587 0.000438429914287877 TRUE "acetamiprid-N-desmethyl" NA NA NA 179.978 NA "2" 0.855262507886083 2962.451229122 0.00785297731644369 TRUE "acetamiprid-N-desmethyl" NA NA NA 181.06 NA "2" 0.514902430711196 334.53332619 0.000886793543245312 TRUE "acetamiprid-N-desmethyl" NA NA NA 181.985 NA "2" 0.983758938668445 16217.3405395 0.0429895372243752 TRUE "acetamiprid-N-desmethyl" NA NA NA 191.083 NA "2" 0.248678055177222 2196.72544869 0.00582316257207377 TRUE "acetamiprid-N-desmethyl" NA NA NA 191.986 NA "2" 0.98871539868282 29705.473639 0.0787443885550213 TRUE "acetamiprid-N-desmethyl" NA NA NA 192.999 NA "2" 0.375698142428829 714.29845333 0.0018934892483728 TRUE "acetamiprid-N-desmethyl" NA NA NA 194.904 NA "2" 0.144605138810588 367.760202152 0.000974872597732636 TRUE "acetamiprid-N-desmethyl" NA NA NA 207.107 NA "2" 0.7622236383338 134.383083348 0.000356227739674342 TRUE "acetamiprid-N-desmethyl" NA NA NA 208.999 NA "2" 1 377239.244397 1 TRUE "acetamiprid-N-desmethyl" NA NA NA 209.92 NA "2" 0.765065526384015 386.747904794 0.00102520591518043 TRUE "Acetochlor" NA NA NA 89.874 NA "1" -0.269169215326054 168.935868988 0.00157592376551218 FALSE "Acetochlor" NA NA NA 104.901 NA "1" -0.0785444555067005 645.152495867 0.00601832610627245 FALSE "Acetochlor" NA NA NA 105.911 NA "1" -0.214021828821939 236.024559512 0.00220176280388344 FALSE "Acetochlor" NA NA NA 107.902 NA "1" 0.229834363270768 164.247659203 0.0015321896475765 TRUE "Acetochlor" NA NA NA 109.04 NA "1" 0.0693660213151957 71.653102161 0.00066841830124432 TRUE "Acetochlor" NA NA NA 131.065 NA "1" 0.275382213415642 668.788094532 0.00623881155954778 TRUE "Acetochlor" NA NA NA 133.066 NA "1" 0.232730365384801 164.479385851 0.00153435131717262 TRUE "Acetochlor" NA NA NA 146.003 NA "1" 0.238776514563385 292.081740854 0.00272469404893927 TRUE "Acetochlor" NA NA NA 148.04 NA "1" 0.848013374156104 6853.478112981 0.0639328941767335 TRUE "Acetochlor" NA NA NA 149.072 NA "1" 0.43012557894486 176.969023715 0.00165086131147061 TRUE "Acetochlor" NA NA NA 158.097 NA "1" -0.187457915805965 424.736170283 0.00396216522181653 FALSE "Acetochlor" NA NA NA 170.058 NA "1" 0.27891286089238 148.949374199 0.00138947909679882 TRUE "Acetochlor" NA NA NA 181.058 NA "1" 0.593807518881685 150.438060279 0.00140336635346559 TRUE "Acetochlor" NA NA NA 182.023 NA "1" 0.0171710480794254 162.282338626 0.00151385609045391 TRUE "Acetochlor" NA NA NA 186.923 NA "1" 0.167850555256652 2237.85539434 0.0208759070577874 TRUE "Acetochlor" NA NA NA 187.969 NA "1" 0.15010415252038 4602.40566264 0.0429336913808246 TRUE "Acetochlor" NA NA NA 192.09 NA "1" -0.0494618790977389 308.925148018 0.00288181832219726 FALSE "Acetochlor" NA NA NA 194.047 NA "1" 0.481640135213594 715.460827596 0.00667419967266773 TRUE "Acetochlor" NA NA NA 196.076 NA "1" 0.488808833334345 141.90940619 0.00132380652554271 TRUE "Acetochlor" NA NA NA 197.899 NA "1" -0.0131087749554602 206.362589833 0.0019250601519892 FALSE "Acetochlor" NA NA NA 206.09 NA "1" 0.437198391977441 1366.751734653 0.0127497881479963 TRUE "Acetochlor" NA NA NA 208.031 NA "1" 0.272368476601906 230.938957684 0.00215432160130942 TRUE "Acetochlor" NA NA NA 208.999 NA "1" 0.512291291404337 250.230108255 0.00233427972879905 TRUE "Acetochlor" NA NA NA 210.072 NA "1" 0.0986490383878261 2176.80463217 0.0203063930310583 TRUE "Acetochlor" NA NA NA 211.082 NA "1" 0.443012775142981 157.548359398 0.00146969501077594 TRUE "Acetochlor" NA NA NA 212.139 NA "1" 0.182083279114841 244.831272599 0.00228391651424104 TRUE "Acetochlor" NA NA NA 214.155 NA "1" -0.118657843857387 176.2052269075 0.00164373620803241 FALSE "Acetochlor" NA NA NA 216.069 NA "1" 0.422582457747943 94.821614269 0.000884546522333634 TRUE "Acetochlor" NA NA NA 224.071 NA "1" 1 107197.9956677 1 TRUE "Acetochlor" NA NA NA 226.048 NA "1" 0.403562369502733 399.374764942 0.00372558052465841 TRUE "Acetochlor" NA NA NA 227.978 NA "1" -0.510674734892151 184.647782791 0.00172249286603627 FALSE "Acetochlor" NA NA NA 229.025 NA "1" -0.0932224533221071 307.596475608 0.00286942375827165 FALSE "Acetochlor" NA NA NA 234.14 NA "1" -0.175135783569486 301.330885896 0.00281097500022376 FALSE "Acetochlor" NA NA NA 236.091 NA "1" -0.0109948114694005 138.344456677 0.00129055077770157 FALSE "Acetochlor" NA NA NA 238.007 NA "1" 0.019859751552863 2391.6560440125 0.0223106414361172 TRUE "Acetochlor" NA NA NA 240.058 NA "1" 0.125151140046387 600.865685468 0.00560519515057545 TRUE "Acetochlor" NA NA NA 240.914 NA "1" 0.381232989922453 160.343672044 0.0014957711759933 TRUE "Acetochlor" NA NA NA 242.107 NA "1" -0.243658069956812 329.957005985 0.00307801469542233 FALSE "Acetochlor" NA NA NA 252.113 NA "1" -0.0929426303591254 2059.789746802 0.0192148158552058 FALSE "Acetochlor" NA NA NA 253.107 NA "1" -0.0834749080159067 452.481779105 0.00422099103893356 FALSE "Acetochlor" NA NA NA 255.859 NA "1" 0.227887226659568 164.824254505 0.00153756843566305 TRUE "Acetochlor" NA NA NA 260.975 NA "1" -0.229475406648878 257.921786798 0.00240603180303412 FALSE "Acetochlor" NA NA NA 270.154 NA "1" -0.0120963321458483 16594.42395571 0.154801625276191 FALSE "Acetochlor" NA NA NA 271.027 NA "1" -0.160453132671047 779.655446051 0.00727304126532208 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 76.947 NA "3" 0.69477920751872 870.478060227 0.0014242295653631 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 89.07 NA "3" 0.676653604256223 165.940935375 0.000271503667999917 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 94.963 NA "3" 0.521609484198171 238.079426778 0.000389532802737732 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 98.902 NA "3" 0.214978774915306 758.42315006 0.00124089132480787 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 103.018 NA "3" -0.175614809818246 205.276515963 0.000335862437512779 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 104.93 NA "3" 0.987595651529689 30618.35601838 0.0500961137065514 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 108.949 NA "3" -0.0331819338939282 119.257135388 0.000195122135595017 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 124.978 NA "3" 0.221534949124524 125.521258344 0.000205371157968629 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 131.039 NA "3" -0.0769400909861422 114.41145277 0.000187193889308003 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 133.022 NA "3" 0.572601862795851 129.429865364 0.000211766211367009 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 144.985 NA "3" 0.718567048619817 288.210931778 0.00047155528537047 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 146.941 NA "3" 0.57814551993529 376.0975962 0.000615350737076991 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 150.959 NA "3" 0.998571995173738 159431.3573291 0.260853045158726 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 154.985 NA "3" 0.274165989375019 547.054241654 0.00089506084118621 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 157.025 NA "3" 0.521741962188308 155.837506292 0.000254972978636183 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 159.055 NA "3" 0.599002952882604 238.00416661 0.000389409666082994 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 167.063 NA "3" 0.564592368281745 257.318804747 0.000421011242200641 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 168.022 NA "3" -0.146991507106656 151.218960753 0.000247416361868721 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 168.992 NA "3" -0.107419781343326 3788.50213244 0.00619854421610022 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 171.005 NA "3" 0.111676250736762 382.563049794 0.000625929165853998 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 173.037 NA "3" 0.884908337751885 458.223273266 0.0007497203699226 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 176.13 NA "3" -0.310670506555032 259.803405295 0.000425076412502183 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 179.156 NA "3" 0.442667912965062 428.589997766 0.000701235992183494 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 183.05 NA "3" 0.203058950554087 944.86580463 0.00154593880735342 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 185.002 NA "3" 0.086056322407198 684.03097247 0.0011191748294745 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 187.002 NA "3" 0.188752374223928 691.000221263 0.00113057754096475 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 187.959 NA "3" 0.532318575773762 155.360950946 0.000254193264311013 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 193.087 NA "3" 0.532333874252887 550.277831083 0.000900335105502736 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 194.112 NA "3" 0.404771811623703 213.046855456 0.00034857585068709 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 197.006 NA "3" -0.376007038146267 9309.2124023 0.0152312345817688 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 198.959 NA "3" 0.693343211910461 425.048076161 0.00069544088981558 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 200.991 NA "3" 0.131155119793369 874.082128059 0.00143012634805809 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 211.044 NA "3" 0.135597286354562 4465.9266051 0.0073069098445358 TRUE "Benzophenone-3 (Oxybenzone)" NA NA NA 212.135 NA "3" -0.168353630773146 322.224400034 0.000527206299823496 FALSE "Benzophenone-3 (Oxybenzone)" NA NA NA 229.046 NA "3" 1 611192.241333 1 TRUE "Carbendazim" NA NA NA 159.911 NA "3" 0.994444263956995 200635.423844 0.331299115613893 TRUE "Carbendazim" NA NA NA 173.916 NA "3" -0.327599422633271 174354.292947145 0.28790241498823 FALSE "Carbendazim" NA NA NA 191.999 NA "3" 1 605602.0508 1 TRUE "Cefoperazone" NA NA NA 347.224 NA "10" 0.226884700924027 55.521286247 0.00372463293062797 TRUE "Cefoperazone" NA NA NA 441.058 NA "10" 0.950924061290588 356.13324352 0.0238911180948661 TRUE "Cefoperazone" NA NA NA 524.107 NA "10" 0.63708852921762 114.893221858 0.00770758580293832 TRUE "Cefoperazone" NA NA NA 561.244 NA "10" 0.111067154638739 72.667052267 0.00487485276622093 TRUE "Cefoperazone" NA NA NA 564.201 NA "10" -0.75489933245436 748.1662902 0.0501905663652606 FALSE "Cefoperazone" NA NA NA 586.116 NA "10" 0.187524556076074 129.148378375 0.00866388975379182 TRUE "Cefoperazone" NA NA NA 614.197 NA "10" 0.0285742507974875 422.54654697 0.0283464395361093 TRUE "Cefoperazone" NA NA NA 628.058 NA "10" 0.43993219756173 173.41936492 0.011633798873392 TRUE "Cefoperazone" NA NA NA 629.087 NA "10" 0.559404696846334 796.2319794 0.0534150422542233 TRUE "Cefoperazone" NA NA NA 645.646 NA "10" 1 14906.512207 1 TRUE "Cefoperazone" NA NA NA 646.858 NA "10" 0.297300736007047 14057.66561646 0.943055318457299 TRUE "Chlorfenvinphos" NA NA NA 126.943 NA "3" 0.997743600123511 24137.73558819 0.300644369405397 TRUE "Chlorfenvinphos" NA NA NA 154.96 NA "3" 1 80286.67104569 1 TRUE "Chlorfenvinphos" NA NA NA 157.105 NA "3" 0.345715860318511 139.23782349 0.00173425827321651 TRUE "Chlorfenvinphos" NA NA NA 169.892 NA "3" 0.66544701605692 545.251562146 0.00679130863248403 TRUE "Chlorfenvinphos" NA NA NA 171.059 NA "3" -0.390481144321044 99.739204413 0.0012422884535372 FALSE "Chlorfenvinphos" NA NA NA 173.071 NA "3" -0.23044952714109 168.180216313 0.0020947464145984 FALSE "Chlorfenvinphos" NA NA NA 180.926 NA "3" -0.0560035513809352 461.190903668 0.00574430223175579 FALSE "Chlorfenvinphos" NA NA NA 185.026 NA "3" -0.422990002985522 247.534089571 0.00308312807527082 FALSE "Chlorfenvinphos" NA NA NA 203.182 NA "3" -0.215146892999154 163.480865011 0.00203621426672387 FALSE "Chlorfenvinphos" NA NA NA 204.964 NA "3" 0.986585654049698 6250.3470306075 0.0778503697961336 TRUE "Chlorfenvinphos" NA NA NA 213.11 NA "3" 0.262158548513932 352.834961408 0.004394689140956 TRUE "Chlorfenvinphos" NA NA NA 217.036 NA "3" -0.397293606357589 491.887822143 0.00612664363506956 FALSE "Chlorfenvinphos" NA NA NA 227.106 NA "3" 0.193494899789895 167.324791902 0.00208409178911874 TRUE "Chlorfenvinphos" NA NA NA 229.162 NA "3" -0.0383124646830164 213.640604973 0.00266097226588732 FALSE "Chlorfenvinphos" NA NA NA 231.07 NA "3" 0.29228026785245 159.982762809 0.00199264411795024 TRUE "Chlorfenvinphos" NA NA NA 239.092 NA "3" -0.218067410917547 142.366676804 0.00177322929135997 FALSE "Chlorfenvinphos" NA NA NA 247.162 NA "3" -0.374118411446528 148.446807872 0.0018489595587731 FALSE "Chlorfenvinphos" NA NA NA 256.226 NA "3" 0.290418734616126 475.08197783 0.00591732066658534 TRUE "Chlorfenvinphos" NA NA NA 257.119 NA "3" 0.209954189712356 243.51356935 0.00303305101803785 TRUE "Chlorfenvinphos" NA NA NA 263.069 NA "3" 0.383284356779546 156.506553191 0.0019493466493577 TRUE "Chlorfenvinphos" NA NA NA 269.088 NA "3" -0.200023997616281 652.63590526 0.00812882009877573 FALSE "Chlorfenvinphos" NA NA NA 270.119 NA "3" 0.1555464012582 122.097583527 0.00152077028399292 TRUE "Chlorfenvinphos" NA NA NA 271.114 NA "3" -0.142836916272903 998.660381296 0.0124386821409954 FALSE "Chlorfenvinphos" NA NA NA 276.998 NA "3" -0.141188840163086 2095.40770716 0.0260990732318137 FALSE "Chlorfenvinphos" NA NA NA 281.144 NA "3" 0.0621711608630186 209.236600657 0.00260611877328836 TRUE "Chlorfenvinphos" NA NA NA 284.994 NA "3" 0.159652185665264 331.69540905 0.00413138824576793 TRUE "Chlorfenvinphos" NA NA NA 297.247 NA "3" 0.167118416984202 235.281828857 0.00293052166433834 TRUE "Chlorfenvinphos" NA NA NA 299.144 NA "3" 0.0432193162763704 4636.7299574 0.0577521760089082 TRUE "Chlorfenvinphos" NA NA NA 301.174 NA "3" 0.820862649434992 309.120713465 0.00385021211415135 TRUE "Chlorfenvinphos" NA NA NA 303.112 NA "3" 0.214145770420782 675.674108275 0.00841576938581104 TRUE "Chlorfenvinphos" NA NA NA 312.985 NA "3" -0.127651874714839 243.367131218 0.00303122707727542 FALSE "Chlorfenvinphos" NA NA NA 315.099 NA "3" -0.466033787842438 364.384241579 0.00453853967082075 FALSE "Chlorfenvinphos" NA NA NA 317.141 NA "3" 0.248354408495302 455.98356629 0.00567944293057693 TRUE "Chlorfenvinphos" NA NA NA 318.18 NA "3" 0.603122596882702 228.938733097 0.00285151607502464 TRUE "Chlorfenvinphos" NA NA NA 323.294 NA "3" -0.322055810437076 563.653416619 0.00702051049417945 FALSE "Chlorfenvinphos" NA NA NA 327.16 NA "3" -0.376000524619286 2409.41143152 0.0300101050415808 FALSE "Chlorfenvinphos" NA NA NA 330.993 NA "3" 0.982120463309292 12451.37509615 0.155086453753502 TRUE "Chlorfenvinphos" NA NA NA 341.156 NA "3" -0.169261128513774 1974.064373155 0.0245876974028676 FALSE "Chlorfenvinphos" NA NA NA 342.217 NA "3" 0.918097441903344 114.13835049 0.00142163511082737 TRUE "Chlorfenvinphos" NA NA NA 343.175 NA "3" -0.460813984753252 393.598319057 0.0049024117444477 FALSE "Chlorfenvinphos" NA NA NA 359.114 NA "3" 0.745209586723937 22584.7152179 0.28130092982741 TRUE "Chlorfenvinphos" NA NA NA 360.168 NA "3" -0.169236671084055 850.672736164 0.0105954416229301 FALSE "Chlorfenvinphos" NA NA NA 118.953 NA "6" 0.307888483138897 66.353376868 0.000891803512611579 TRUE "Chlorfenvinphos" NA NA NA 126.93 NA "6" 0.98925451632565 20710.93127215 0.278359325927056 TRUE "Chlorfenvinphos" NA NA NA 154.957 NA "6" 1 74403.5832217 1 TRUE "Chlorfenvinphos" NA NA NA 169.937 NA "6" 0.400965038923134 251.752763748 0.00338361074624395 TRUE "Chlorfenvinphos" NA NA NA 177.012 NA "6" 0.152941035271053 308.496086376 0.00414625308376313 TRUE "Chlorfenvinphos" NA NA NA 180.942 NA "6" -0.0396586829705516 354.258750916 0.00476131303865322 FALSE "Chlorfenvinphos" NA NA NA 184.93 NA "6" 0.21416204967555 620.034171576 0.00833339127940232 TRUE "Chlorfenvinphos" NA NA NA 186.967 NA "6" 0.0344669511741455 255.646638389 0.00343594525047605 TRUE "Chlorfenvinphos" NA NA NA 194.987 NA "6" 0.0600010541304002 215.919657704 0.00290200617167355 TRUE "Chlorfenvinphos" NA NA NA 204.959 NA "6" 0.974358430327003 4144.892359716 0.0557082358166203 TRUE "Chlorfenvinphos" NA NA NA 215.074 NA "6" -0.450618424806283 111.581706056 0.00149968188660377 FALSE "Chlorfenvinphos" NA NA NA 216.952 NA "6" -0.105278812587947 184.536623947 0.00248021151611929 FALSE "Chlorfenvinphos" NA NA NA 227.058 NA "6" -0.27543786104457 385.765646933 0.00518477242935378 FALSE "Chlorfenvinphos" NA NA NA 257.123 NA "6" -0.192268801241969 116.439049717 0.00156496561959989 FALSE "Chlorfenvinphos" NA NA NA 263.12 NA "6" -0.231513262598985 130.036875959 0.00174772329944822 FALSE "Chlorfenvinphos" NA NA NA 269.126 NA "6" -0.0862995045723987 521.926541329 0.00701480384047927 FALSE "Chlorfenvinphos" NA NA NA 271.057 NA "6" -0.277078978843132 286.086881162 0.00384506859447277 FALSE "Chlorfenvinphos" NA NA NA 277.032 NA "6" -0.220951930554816 7365.76094096 0.0989973953137751 FALSE "Chlorfenvinphos" NA NA NA 287.097 NA "6" -0.246131897006268 1436.521243097 0.0193071513614688 FALSE "Chlorfenvinphos" NA NA NA 299.097 NA "6" 0.0508805989280348 4075.071828875 0.054769833016409 TRUE "Chlorfenvinphos" NA NA NA 301.175 NA "6" 0.449299997298531 184.163766389 0.00247520023115349 TRUE "Chlorfenvinphos" NA NA NA 303.002 NA "6" 0.469612773913552 558.96223402 0.00751257143563184 TRUE "Chlorfenvinphos" NA NA NA 315.15 NA "6" -0.535392132745364 228.835577496 0.00307559888364704 FALSE "Chlorfenvinphos" NA NA NA 317.058 NA "6" 0.108398080800289 371.096517574 0.00498761620751847 TRUE "Chlorfenvinphos" NA NA NA 327.106 NA "6" -0.0292180991930868 857.215583061 0.0115211599487992 FALSE "Chlorfenvinphos" NA NA NA 331.034 NA "6" 0.935671136523579 10942.34945269 0.147067506414108 TRUE "Chlorfenvinphos" NA NA NA 341.156 NA "6" 0.3027544679085 681.509114277 0.0091596275981267 TRUE "Chlorfenvinphos" NA NA NA 359.083 NA "6" 0.963091521050382 70775.23458992 0.951234221865785 TRUE "Chlorfenvinphos" NA NA NA 359.907 NA "6" 0.316260785934268 336.06626725 0.0045168021847634 TRUE "Chlormequat" NA NA NA 103.875 NA "3" 0.258848039085982 1344.00603488 0.0035075545862099 TRUE "Chlormequat" NA NA NA 121.939 NA "3" 1 383174.65968 1 TRUE "Chlormequat" NA NA NA 103.891 NA "7" -0.238480528781348 249.84195518 0.00659545474896182 FALSE "Chlormequat" NA NA NA 121.989 NA "7" 1 37880.9293202 1 TRUE "Desisopropylatrazine" NA NA NA 78.873 NA "1" -0.00233999251843864 530.25218964 0.0010623465213357 TRUE "Desisopropylatrazine" NA NA NA 114.851 NA "1" 0.0134526232413478 19215.13916 0.0384970333785257 TRUE "Desisopropylatrazine" NA NA NA 129.922 NA "1" 0.263395383425939 3994.6477049 0.00800317316208218 TRUE "Desisopropylatrazine" NA NA NA 131.851 NA "1" -0.0312768712385 7326.0765379 0.0146776045005323 FALSE "Desisopropylatrazine" NA NA NA 132.89 NA "1" 0.249785689081156 9816.328859 0.0196667604950881 TRUE "Desisopropylatrazine" NA NA NA 141.94 NA "1" -0.064738762712863 4465.0982056 0.0089457085492884 FALSE "Desisopropylatrazine" NA NA NA 145.906 NA "1" 0.267964087777204 1514.5723649 0.00303440648544061 TRUE "Desisopropylatrazine" NA NA NA 155.888 NA "1" -0.877674937275134 2233.4023818 0.00447456379700939 FALSE "Desisopropylatrazine" NA NA NA 158.837 NA "1" -0.178626327953242 56937.500976 0.114072807764298 FALSE "Desisopropylatrazine" NA NA NA 173.912 NA "1" 1 499132.98438 1 TRUE "Dichlorvos" NA NA NA 76.87 NA "8" 0.673126587009387 741.86317154 0.00161896017936163 TRUE "Dichlorvos" NA NA NA 78.905 NA "8" 0.878900088282318 1378.256703748 0.00300775507655178 TRUE "Dichlorvos" NA NA NA 94.966 NA "8" 0.23830151975066 167.451852342 0.000365428412276191 TRUE "Dichlorvos" NA NA NA 98.879 NA "8" 0.0952811367061809 779.789044359 0.00170172541184249 TRUE "Dichlorvos" NA NA NA 104.915 NA "8" 0.421334905224525 170.538307904 0.000372163951715189 TRUE "Dichlorvos" NA NA NA 106.991 NA "8" 0.259129043686515 193.227040286 0.000421677333233239 TRUE "Dichlorvos" NA NA NA 108.907 NA "8" 0.967088540122942 63244.728942055 0.138018305315196 TRUE "Dichlorvos" NA NA NA 111.003 NA "8" 0.669971084873578 362.689319128 0.000791493078068717 TRUE "Dichlorvos" NA NA NA 116.962 NA "8" 0.427724412537125 150.021759756 0.000327390904954265 TRUE "Dichlorvos" NA NA NA 119.018 NA "8" 0.352320220252662 842.015996927 0.00183752263450484 TRUE "Dichlorvos" NA NA NA 121.012 NA "8" 0.347913703205373 778.073791986 0.00169798223466916 TRUE "Dichlorvos" NA NA NA 123.095 NA "8" 0.375380270767784 270.12158084 0.000589483478548166 TRUE "Dichlorvos" NA NA NA 126.93 NA "8" 0.948284758535013 7147.09441171 0.0155970287980156 TRUE "Dichlorvos" NA NA NA 133.034 NA "8" 0.111433255667834 852.743870701 0.00186093396036062 TRUE "Dichlorvos" NA NA NA 135.079 NA "8" 0.0748728027193132 220.929068083 0.000482131176490902 TRUE "Dichlorvos" NA NA NA 136.984 NA "8" 0.453769927098964 505.667025571 0.00110351181972854 TRUE "Dichlorvos" NA NA NA 138.985 NA "8" 0.467524552074558 137.935647968 0.000301015510597557 TRUE "Dichlorvos" NA NA NA 143.009 NA "8" 0.278796612798532 266.444155698 0.000581458272424074 TRUE "Dichlorvos" NA NA NA 144.921 NA "8" 0.994170372012309 44316.40897363 0.0967112321692371 TRUE "Dichlorvos" NA NA NA 145.872 NA "8" 0.346301417994264 207.562618724 0.000452961714948885 TRUE "Dichlorvos" NA NA NA 147.046 NA "8" -0.183799172220307 819.102781302 0.00178751936557185 FALSE "Dichlorvos" NA NA NA 148.978 NA "8" 0.291827272614207 273.867382537 0.000597657902107486 TRUE "Dichlorvos" NA NA NA 151.105 NA "8" -0.0612144593206886 544.88402842 0.00118909467166422 FALSE "Dichlorvos" NA NA NA 153.072 NA "8" 0.459453598609755 595.225358962 0.00129895402666414 TRUE "Dichlorvos" NA NA NA 157.075 NA "8" -0.0788899965991259 259.340542296 0.000565956131775221 FALSE "Dichlorvos" NA NA NA 158.986 NA "8" 0.0596826580176188 1143.682675356 0.00249584664700842 TRUE "Dichlorvos" NA NA NA 160.95 NA "8" 0.106726535917086 9549.15720075 0.0208390251026838 TRUE "Dichlorvos" NA NA NA 163.019 NA "8" 0.0347987341572495 754.856181158 0.00164731468729325 TRUE "Dichlorvos" NA NA NA 165.051 NA "8" -0.380495498071025 1334.653779975 0.00291260087561511 FALSE "Dichlorvos" NA NA NA 175.091 NA "8" 0.149156761794573 7231.4122008 0.015781034620363 TRUE "Dichlorvos" NA NA NA 176.036 NA "8" -0.107338339253918 284.52136421 0.00062090797401014 FALSE "Dichlorvos" NA NA NA 177.061 NA "8" 0.0961702542234717 389.493910798 0.000849988455926194 TRUE "Dichlorvos" NA NA NA 177.991 NA "8" 0.493220332481887 482.049106835 0.00105197068462459 TRUE "Dichlorvos" NA NA NA 179.031 NA "8" -0.0861608852458405 2525.723908887 0.00551186066301337 FALSE "Dichlorvos" NA NA NA 185.101 NA "8" 0.0918293472268129 668.89163876 0.00145971517255995 TRUE "Dichlorvos" NA NA NA 188.967 NA "8" -0.197479261216347 5542.6118852 0.0120955834930694 FALSE "Dichlorvos" NA NA NA 190.968 NA "8" 0.387244221989 1667.67687608 0.00363935366788881 TRUE "Dichlorvos" NA NA NA 192.082 NA "8" 0.819756995871118 124.725039958 0.000272186139988758 TRUE "Dichlorvos" NA NA NA 193.079 NA "8" -0.217736800465349 3528.26782225 0.00769970167745111 FALSE "Dichlorvos" NA NA NA 203.05 NA "8" -0.00105621012897679 9102.7295684 0.0198647907863461 TRUE "Dichlorvos" NA NA NA 204.09 NA "8" 0.224749665606753 212.49892521 0.000463734164560272 TRUE "Dichlorvos" NA NA NA 206.076 NA "8" 0.0812819184416861 745.68288134 0.00162729589179507 TRUE "Dichlorvos" NA NA NA 219.064 NA "8" 0.850573767933108 128.129454139 0.000279615557170436 TRUE "Dichlorvos" NA NA NA 220.928 NA "8" 1 458234.353752 1 TRUE "Dichlorvos" NA NA NA 221.982 NA "8" 0.129303934081555 360.408204103 0.000786515024794618 TRUE "Fluopyram" NA NA NA 129.966 NA "2" 0.988179415765439 17795.909718935 0.0154226372206749 TRUE "Fluopyram" NA NA NA 144.998 NA "2" 0.928241190042729 3449.545446807 0.00298951213186528 TRUE "Fluopyram" NA NA NA 149.953 NA "2" 0.988115406284376 12058.53886978 0.0104504053648994 TRUE "Fluopyram" NA NA NA 151.993 NA "2" 0.714803770971941 843.962879701 0.000731411516855211 TRUE "Fluopyram" NA NA NA 169.972 NA "2" 0.996118661695746 54335.19384732 0.0470890219301705 TRUE "Fluopyram" NA NA NA 172.063 NA "2" 0.93623116209915 4358.1586747 0.00377695219022824 TRUE "Fluopyram" NA NA NA 172.99 NA "2" 0.996725515129425 33891.795142293 0.0293719663390324 TRUE "Fluopyram" NA NA NA 190.021 NA "2" 0.994751234429169 52936.742621562 0.0458770689439894 TRUE "Fluopyram" NA NA NA 207.984 NA "2" 0.998926992897114 741312.313808205 0.642450487985915 TRUE "Fluopyram" NA NA NA 208.978 NA "2" 0.479662731083597 434.75375842 0.000376774753431255 TRUE "Fluopyram" NA NA NA 223.061 NA "2" 0.919762443227137 180.747808449 0.000156643179369186 TRUE "Fluopyram" NA NA NA 233.132 NA "2" 0.447788622500763 228.889230719 0.000198364434572427 TRUE "Fluopyram" NA NA NA 239.159 NA "2" 0.490523688542752 454.236178877 0.000393658987372342 TRUE "Fluopyram" NA NA NA 251.124 NA "2" 0.399282659683872 207.703212752 0.000180003795840478 TRUE "Fluopyram" NA NA NA 253.207 NA "2" 0.291997563579388 381.209336282 0.000330371045451865 TRUE "Fluopyram" NA NA NA 277.084 NA "2" 0.472534154830253 407.468348983 0.000353128141495666 TRUE "Fluopyram" NA NA NA 293.082 NA "2" 0.439013773646497 230.165272235 0.000199470302476379 TRUE "Fluopyram" NA NA NA 295.154 NA "2" 0.556087836877115 396.002507198 0.000343191390799996 TRUE "Fluopyram" NA NA NA 297.093 NA "2" 0.269891270141561 261.36091041 0.000226505672853008 TRUE "Fluopyram" NA NA NA 305.245 NA "2" 0.13304535194746 151.392195691 0.000131202447588246 TRUE "Fluopyram" NA NA NA 307.132 NA "2" 0.658489317811748 176.850197312 0.000153265355838801 TRUE "Fluopyram" NA NA NA 309.193 NA "2" 0.620367265623824 877.951049335 0.0007608670051297 TRUE "Fluopyram" NA NA NA 312.079 NA "2" -0.101202655215579 313.370437142 0.000271579179938356 FALSE "Fluopyram" NA NA NA 315.092 NA "2" -0.0918425876545814 1665.552336677 0.00144343334318478 FALSE "Fluopyram" NA NA NA 317.175 NA "2" 0.747044352703202 276.576972023 0.000239692511957673 TRUE "Fluopyram" NA NA NA 319.208 NA "2" 0.411135022271651 205.162689204 0.000177802077937308 TRUE "Fluopyram" NA NA NA 321.075 NA "2" 0.668663039963109 172.5105753 0.000149504468251542 TRUE "Fluopyram" NA NA NA 322.207 NA "2" 0.457450301072192 363.92931174 0.000315395494671673 TRUE "Fluopyram" NA NA NA 323.148 NA "2" 0.525525654158042 541.443225855 0.000469236053668481 TRUE "Fluopyram" NA NA NA 325.172 NA "2" -0.375139543472427 284.063552627 0.000246180677974607 FALSE "Fluopyram" NA NA NA 335.143 NA "2" 0.85099649332553 354.179540117 0.000306945958059 TRUE "Fluopyram" NA NA NA 337.149 NA "2" -0.0800505936255548 6092.33305747 0.00527985610496276 FALSE "Fluopyram" NA NA NA 339.165 NA "2" 0.0817418256376614 1257.39245224 0.001089705889791 TRUE "Fluopyram" NA NA NA 351.264 NA "2" 0.0922108519959764 325.871292118 0.000282412913885544 TRUE "Fluopyram" NA NA NA 353.206 NA "2" 0.73819712073071 219.68107702 0.000190384285413725 TRUE "Fluopyram" NA NA NA 355.042 NA "2" 0.558938657015514 404.386810763 0.0003504575589405 TRUE "Fluopyram" NA NA NA 357.092 NA "2" 0.962259996620823 6087.032030074 0.00527526202555257 TRUE "Fluopyram" NA NA NA 361.224 NA "2" 0.552153478272702 857.635546693 0.000743260789310912 TRUE "Fluopyram" NA NA NA 365.223 NA "2" -0.00936270431495669 3128.58431621 0.00271135455760717 FALSE "Fluopyram" NA NA NA 377.099 NA "2" 0.95522089194523 6353.409628619 0.00550611535819805 TRUE "Fluopyram" NA NA NA 379.135 NA "2" 0.976200924337964 23757.38885012 0.0205890901523317 TRUE "Fluopyram" NA NA NA 380.163 NA "2" 0.802086185702225 299.634428489 0.000259675013101082 TRUE "Fluopyram" NA NA NA 383.011 NA "2" 0.514484227137365 296.36061955 0.000256837801157807 TRUE "Fluopyram" NA NA NA 397.143 NA "2" 1 1153882.4044359 1 TRUE "Fluopyram" NA NA NA 397.852 NA "2" 0.629183355208795 786.96763037 0.000682017185932154 TRUE "Hydroxy-tebuconazole" NA NA NA 104.943 NA "3" 0.933250800122397 148.864868642 0.000349259198550838 TRUE "Hydroxy-tebuconazole" NA NA NA 111.016 NA "3" -0.136986211620653 819.476129504 0.00192261329911496 FALSE "Hydroxy-tebuconazole" NA NA NA 124.953 NA "3" 0.937808762193969 1183.686924417 0.00277710617910255 TRUE "Hydroxy-tebuconazole" NA NA NA 128.989 NA "3" 0.93947878913899 361.506768723 0.000848148830994743 TRUE "Hydroxy-tebuconazole" NA NA NA 130.031 NA "3" 0.688489556152789 331.007312771 0.000776592555567199 TRUE "Hydroxy-tebuconazole" NA NA NA 138.998 NA "3" 0.773254709339752 1538.894389073 0.00361047590264274 TRUE "Hydroxy-tebuconazole" NA NA NA 142.055 NA "3" 0.570848007480712 609.52418229 0.00143003469754783 TRUE "Hydroxy-tebuconazole" NA NA NA 143.052 NA "3" 0.806393964441417 697.26483626 0.00163588736624957 TRUE "Hydroxy-tebuconazole" NA NA NA 144.028 NA "3" 0.617078750669289 821.504440261 0.00192737201885766 TRUE "Hydroxy-tebuconazole" NA NA NA 150.967 NA "3" 0.969913176100367 8918.60934376 0.020924388541131 TRUE "Hydroxy-tebuconazole" NA NA NA 163.01 NA "3" 0.943479253411026 4190.003754782 0.00983037412836093 TRUE "Hydroxy-tebuconazole" NA NA NA 165.016 NA "3" 0.974027692942281 11141.070391724 0.0261386138415883 TRUE "Hydroxy-tebuconazole" NA NA NA 177.025 NA "3" 0.976181868104272 5276.840125508 0.0123802544544473 TRUE "Hydroxy-tebuconazole" NA NA NA 179.05 NA "3" 0.985734009124796 18898.49200271 0.0443386826650093 TRUE "Hydroxy-tebuconazole" NA NA NA 181.003 NA "3" 0.815011717512525 2102.659529777 0.00493315305951243 TRUE "Hydroxy-tebuconazole" NA NA NA 183.071 NA "3" 0.629817289150805 328.86962314 0.000771577216662296 TRUE "Hydroxy-tebuconazole" NA NA NA 191.055 NA "3" 0.627994719460226 789.382863066 0.00185201000490732 TRUE "Hydroxy-tebuconazole" NA NA NA 193.087 NA "3" 0.834581905027916 786.770006146 0.00184587985262806 TRUE "Hydroxy-tebuconazole" NA NA NA 207.094 NA "3" 0.912806973260801 1817.33848199 0.00426374729985384 TRUE "Hydroxy-tebuconazole" NA NA NA 213.136 NA "3" 0.533276651096227 209.824030864 0.000492278490719679 TRUE "Hydroxy-tebuconazole" NA NA NA 219.028 NA "3" 0.973387546070147 5785.704654759 0.0135741265834354 TRUE "Hydroxy-tebuconazole" NA NA NA 225.246 NA "3" 0.158710766132164 598.46658039 0.00140409191324474 TRUE "Hydroxy-tebuconazole" NA NA NA 233.996 NA "3" 0.533892369953371 498.037124195 0.00116846942083577 TRUE "Hydroxy-tebuconazole" NA NA NA 236.081 NA "3" 0.757916887845443 401.455109619 0.000941873600660352 TRUE "Hydroxy-tebuconazole" NA NA NA 237.098 NA "3" 0.819617372910582 1804.698136231 0.00423409116224753 TRUE "Hydroxy-tebuconazole" NA NA NA 241.966 NA "3" 0.0281666681525705 492.2943644595 0.00115499604944205 TRUE "Hydroxy-tebuconazole" NA NA NA 249.215 NA "3" 0.148844380563395 668.821608301 0.00156915530856678 TRUE "Hydroxy-tebuconazole" NA NA NA 251.196 NA "3" -0.0957358039667109 294.37336396 0.000690643844375629 FALSE "Hydroxy-tebuconazole" NA NA NA 252.021 NA "3" 0.571270701114537 262.84086132 0.000616663887245291 TRUE "Hydroxy-tebuconazole" NA NA NA 260.974 NA "3" 0.307249106849353 301.249457372 0.000706776185714076 TRUE "Hydroxy-tebuconazole" NA NA NA 262.007 NA "3" -0.0664296147654578 356.3203392 0.000835980693306733 FALSE "Hydroxy-tebuconazole" NA NA NA 264.108 NA "3" -0.234448577231542 1060.76663015 0.00248871682402531 FALSE "Hydroxy-tebuconazole" NA NA NA 266.097 NA "3" 0.442854013871549 224.958957681 0.000527787287781417 TRUE "Hydroxy-tebuconazole" NA NA NA 268.218 NA "3" 0.333877814717464 167.482578998 0.00039293912556858 TRUE "Hydroxy-tebuconazole" NA NA NA 276.183 NA "3" 0.814390714374443 472.387895585 0.00110829250260451 TRUE "Hydroxy-tebuconazole" NA NA NA 278.186 NA "3" 0.275231308762053 379.986748698 0.000891505621983662 TRUE "Hydroxy-tebuconazole" NA NA NA 280.045 NA "3" 0.650641022624376 416.402436187 0.000976942259540319 TRUE "Hydroxy-tebuconazole" NA NA NA 282.042 NA "3" 0.782140125615591 155.801819332 0.000365534320145864 TRUE "Hydroxy-tebuconazole" NA NA NA 288.14 NA "3" 0.702501554923525 901.789572159 0.00211573292011017 TRUE "Hydroxy-tebuconazole" NA NA NA 292.107 NA "3" -0.282700274468723 1574.001168335 0.00369284164615631 FALSE "Hydroxy-tebuconazole" NA NA NA 296.201 NA "3" -0.00403563274731662 354.472442154 0.000831645251055126 TRUE "Hydroxy-tebuconazole" NA NA NA 306.19 NA "3" 0.939487898745732 6832.34144213 0.0160296926875516 TRUE "Hydroxy-tebuconazole" NA NA NA 307.097 NA "3" 0.647420935806109 170.978830823 0.000401141854133558 TRUE "Hydroxy-tebuconazole" NA NA NA 324.177 NA "3" 1 426230.3448547 1 TRUE "Hydroxy-tebuconazole" NA NA NA 325.033 NA "3" 0.526687588803207 740.769098256 0.0017379548575044 TRUE "Isoproturon" NA NA NA 71.89 NA "2" 0.993086605464471 59907.1442268 0.115787147683237 TRUE "Isoproturon" NA NA NA 119.978 NA "2" 0.927282017838371 790.062006494 0.00152701363761405 TRUE "Isoproturon" NA NA NA 133.985 NA "2" 0.71269989274101 432.2311039 0.000835406315999436 TRUE "Isoproturon" NA NA NA 137.024 NA "2" 0.213034502535958 770.65881154 0.00148951158959186 TRUE "Isoproturon" NA NA NA 146.925 NA "2" -0.543816345969317 1151.6802063 0.00222594095999428 FALSE "Isoproturon" NA NA NA 149.063 NA "2" 0.500520723996853 390.29506684 0.000754353310068573 TRUE "Isoproturon" NA NA NA 161.063 NA "2" 0.400505614578046 614.84665681 0.00118836144792821 TRUE "Isoproturon" NA NA NA 162.055 NA "2" 0.804730923860733 2048.22309885 0.00395875840011529 TRUE "Isoproturon" NA NA NA 165.029 NA "2" 0.985177338187729 41795.7801207 0.0807819205510825 TRUE "Isoproturon" NA NA NA 173.91 NA "2" -0.672244697055266 2538.22496785 0.00490582271945875 FALSE "Isoproturon" NA NA NA 174.904 NA "2" -0.891117335203028 41310.6113296 0.0798441974933163 FALSE "Isoproturon" NA NA NA 179.091 NA "2" 0.106337033555785 305.46005153 0.000590386147667693 TRUE "Isoproturon" NA NA NA 189.09 NA "2" -0.557815616548336 2256.78026215 0.00436185287873026 FALSE "Isoproturon" NA NA NA 192.871 NA "2" -0.457037805653279 900.73918538 0.00174092793819098 FALSE "Isoproturon" NA NA NA 207.103 NA "2" 1 517390.275393 1 TRUE "Malathion dicarboxilic acid" NA NA NA 98.901 NA "5" -0.0145062980310714 146.313006405 0.00728513388971739 FALSE "Malathion dicarboxilic acid" NA NA NA 101.001 NA "5" -0.0828141093237674 435.762945656 0.0216972604232751 FALSE "Malathion dicarboxilic acid" NA NA NA 104.913 NA "5" 0.587019603923614 89.451040273 0.00445389525494049 TRUE "Malathion dicarboxilic acid" NA NA NA 110.87 NA "5" -0.390287162095832 129.625732421 0.00645425064690212 FALSE "Malathion dicarboxilic acid" NA NA NA 112.962 NA "5" 0.436063164175773 214.697242755 0.0106900828412605 TRUE "Malathion dicarboxilic acid" NA NA NA 114.854 NA "5" -0.487491202047035 169.733005041 0.00845124912412097 FALSE "Malathion dicarboxilic acid" NA NA NA 124.899 NA "5" 0.211743045350572 976.859200016 0.0486392169662613 TRUE "Malathion dicarboxilic acid" NA NA NA 126.97 NA "5" -0.193115673489529 251.457530026 0.0125204301300888 FALSE "Malathion dicarboxilic acid" NA NA NA 132.921 NA "5" -0.0235937319440911 106.381536014 0.00529688885696561 FALSE "Malathion dicarboxilic acid" NA NA NA 134.959 NA "5" 0.0943867349562522 265.367501262 0.0132130274961485 TRUE "Malathion dicarboxilic acid" NA NA NA 142.949 NA "5" 0.324562260639024 2027.15360119 0.100934877647263 TRUE "Malathion dicarboxilic acid" NA NA NA 144.918 NA "5" 0.0513679474641989 340.208190446 0.0169394524702548 TRUE "Malathion dicarboxilic acid" NA NA NA 154.962 NA "5" -0.0935008127275434 89.39838505 0.00445127347606401 FALSE "Malathion dicarboxilic acid" NA NA NA 156.946 NA "5" -0.124840593853139 283.279369826 0.014104885054885 FALSE "Malathion dicarboxilic acid" NA NA NA 158.921 NA "5" 0.615282973488168 11570.4075283 0.576107142306516 TRUE "Malathion dicarboxilic acid" NA NA NA 170.98 NA "5" -0.157617624578159 343.725625045 0.0171145905706306 FALSE "Malathion dicarboxilic acid" NA NA NA 173.045 NA "5" 0.13521369536174 276.705667733 0.0137775710239911 TRUE "Malathion dicarboxilic acid" NA NA NA 173.932 NA "5" 0.0546754802243834 145.849533325 0.00726205690206577 TRUE "Malathion dicarboxilic acid" NA NA NA 174.978 NA "5" -0.0449871685056207 1172.409335654 0.0583759379542223 FALSE "Malathion dicarboxilic acid" NA NA NA 177.077 NA "5" 0.124276700228139 180.05658699 0.00896527503724966 TRUE "Malathion dicarboxilic acid" NA NA NA 183.054 NA "5" 0.118394234041897 92.657263754 0.00461353770856342 TRUE "Malathion dicarboxilic acid" NA NA NA 184.956 NA "5" -0.074153926813293 212.018755439 0.0105567171262197 FALSE "Malathion dicarboxilic acid" NA NA NA 187.004 NA "5" 0.108830633613764 941.066299451 0.0468570372453718 TRUE "Malathion dicarboxilic acid" NA NA NA 189.021 NA "5" 0.508419430479885 146.580297463 0.00729844269385517 TRUE "Malathion dicarboxilic acid" NA NA NA 189.911 NA "5" 0.87690485484064 148.989129555 0.0074183818895511 TRUE "Malathion dicarboxilic acid" NA NA NA 192.981 NA "5" -0.0384696232288205 1596.369196382 0.0794855058946147 FALSE "Malathion dicarboxilic acid" NA NA NA 197.022 NA "5" -0.0619440037636622 179.884572989 0.00895671021407378 FALSE "Malathion dicarboxilic acid" NA NA NA 198.997 NA "5" -0.028668865104496 276.667024113 0.0137756469028716 FALSE "Malathion dicarboxilic acid" NA NA NA 201.02 NA "5" 0.237137284012593 239.864170096 0.0119431801548682 TRUE "Malathion dicarboxilic acid" NA NA NA 202.991 NA "5" -0.0966182688129124 1407.858670707 0.0700992971568763 FALSE "Malathion dicarboxilic acid" NA NA NA 205.027 NA "5" 0.133069171499041 130.40357304 0.00649298044402344 TRUE "Malathion dicarboxilic acid" NA NA NA 213.08 NA "5" -0.457317913367628 282.143243319 0.0140483156908721 FALSE "Malathion dicarboxilic acid" NA NA NA 215.035 NA "5" 0.104159055038702 4632.372268515 0.23065244185969 TRUE "Malathion dicarboxilic acid" NA NA NA 215.963 NA "5" 0.149064407342261 152.968408575 0.00761651588431708 TRUE "Malathion dicarboxilic acid" NA NA NA 217.11 NA "5" -0.065462150775907 149.235903278 0.00743066910622917 FALSE "Malathion dicarboxilic acid" NA NA NA 219.11 NA "5" 0.135712941972458 275.246332175 0.0137049086189782 TRUE "Malathion dicarboxilic acid" NA NA NA 229.034 NA "5" 0.1770967268039 508.844859597 0.0253361134621037 TRUE "Malathion dicarboxilic acid" NA NA NA 231.032 NA "5" -0.102884748154224 548.515546309 0.027311373702427 FALSE "Malathion dicarboxilic acid" NA NA NA 233.021 NA "5" 0.0252727083027678 5883.46527449 0.292946152316215 TRUE "Malathion dicarboxilic acid" NA NA NA 239.07 NA "5" 0.360021753339356 289.00519777 0.0143899822190159 TRUE "Malathion dicarboxilic acid" NA NA NA 243 NA "5" -0.053037039486054 3332.41069708 0.165925495622409 FALSE "Malathion dicarboxilic acid" NA NA NA 244.961 NA "5" -0.281228966283381 369.79291249 0.0184125181017819 FALSE "Malathion dicarboxilic acid" NA NA NA 247.121 NA "5" -0.000759194687357852 453.035788533 0.0225572999789294 TRUE "Malathion dicarboxilic acid" NA NA NA 256.992 NA "5" 1 20083.7772675 1 TRUE "Malathion dicarboxilic acid" NA NA NA 261.023 NA "5" -0.0148073154145046 138.486630433 0.00689544743443765 FALSE "Malathion dicarboxilic acid" NA NA NA 275.072 NA "5" 0.106470337603423 7538.973325 0.375376266356017 TRUE "Methamidophos" NA NA NA 93.9 NA "10" 0.976908842717177 9354.73397623 0.0482149771671354 TRUE "Methamidophos" NA NA NA 99.88 NA "10" 0.513584871583348 164.780854231 0.000849292469942643 TRUE "Methamidophos" NA NA NA 109.875 NA "10" 0.284212959905891 434.336410282 0.0022386013496283 TRUE "Methamidophos" NA NA NA 111.944 NA "10" 0.703154152581651 915.166019881 0.00471683201946947 TRUE "Methamidophos" NA NA NA 114.009 NA "10" -0.0808744594898649 205.122636803 0.00105721694225077 FALSE "Methamidophos" NA NA NA 123.965 NA "10" -0.178837358040908 522.942952646 0.00269528589328229 FALSE "Methamidophos" NA NA NA 124.905 NA "10" 0.944616104231969 4800.928386691 0.0247443329904978 TRUE "Methamidophos" NA NA NA 141.916 NA "10" 1 194021.3295923 1 TRUE "Methamidophos" NA NA NA 142.955 NA "10" 0.462998313752461 215.166582594 0.0011089841670817 TRUE "Metolachlor" NA NA NA 176.128 NA "2" 0.760582065871439 995.27586705 0.00140948787866654 TRUE "Metolachlor" NA NA NA 196.04 NA "2" 0.191220558744757 165.330739505 0.000234137771263337 TRUE "Metolachlor" NA NA NA 212.064 NA "2" 0.931185345473568 3303.57566825 0.00467845148748308 TRUE "Metolachlor" NA NA NA 220.094 NA "2" 0.643787158940323 134.73387814 0.000190807166506454 TRUE "Metolachlor" NA NA NA 222.125 NA "2" 0.424376972972785 149.329081531 0.000211476573800797 TRUE "Metolachlor" NA NA NA 224.025 NA "2" 0.280374162629315 1240.410666011 0.0017566424106045 TRUE "Metolachlor" NA NA NA 238.138 NA "2" 0.391062783784674 278.464510935 0.000394355339856714 TRUE "Metolachlor" NA NA NA 240.107 NA "2" 0.591264299722738 309.572997085 0.000438410496425569 TRUE "Metolachlor" NA NA NA 241.023 NA "2" 0.595274120987579 198.540365455 0.000281168515985718 TRUE "Metolachlor" NA NA NA 243.012 NA "2" 0.396358480157969 350.776814924 0.000496762440566436 TRUE "Metolachlor" NA NA NA 248.131 NA "2" 0.678240672160261 330.1702237165 0.000467579837542316 TRUE "Metolachlor" NA NA NA 252.088 NA "2" 1 706125.8788487 1 TRUE "Metolachlor" NA NA NA 253.149 NA "2" 0.617816316710038 610.27153687 0.000864253180842224 TRUE "Metolachlor" NA NA NA 256.233 NA "2" 0.912395716840148 160.856989391 0.000227802144361666 TRUE "Metolachlor" NA NA NA 266.126 NA "2" -0.116852848038893 2686.12464523 0.00380403087564158 FALSE "Metolachlor" NA NA NA 267.137 NA "2" 0.0441030462799913 90.919785974 0.000128758609048913 TRUE "Metolachlor" NA NA NA 284.143 NA "2" 0.917041451436126 27717.1231987 0.0392523826543382 TRUE "Metolachlor" NA NA NA 285.045 NA "2" 0.46981332944969 786.727229625 0.00111414586717558 TRUE "Metolachlor" NA NA NA 104.917 NA "6" 0.130410538297487 67.732931137 0.000302088164521329 TRUE "Metolachlor" NA NA NA 212.095 NA "6" 0.585824508393064 1215.116215726 0.00541940561447594 TRUE "Metolachlor" NA NA NA 224.037 NA "6" -0.121009816842564 339.173356055 0.00151270962093686 FALSE "Metolachlor" NA NA NA 252.116 NA "6" 1 224215.7723866 1 TRUE "Metolachlor" NA NA NA 266.193 NA "6" -0.192997823151521 628.791106722 0.00280440176009482 FALSE "Metolachlor" NA NA NA 284.148 NA "6" 0.993045070992658 155026.670419 0.691417328802802 TRUE "Metolachlor" NA NA NA 284.996 NA "6" 0.137649546667365 459.575310689 0.00204970107944318 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 71.924 NA "1" 0.831213054372806 1933.43451305 0.00181816864864583 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 90.956 NA "1" 0.822308544953969 1277.57458017 0.00120140921882462 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 99.971 NA "1" 0.904831380805312 4819.97843154 0.0045326250318924 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 118.961 NA "1" 0.996276922706082 196757.537712 0.185027413154208 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 159.034 NA "1" 0.318506076968014 5745.2918091 0.00540277385870641 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 159.873 NA "1" -0.60812844929883 81418.296387 0.076564369218524 FALSE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 173.926 NA "1" -0.0254778159834255 6464.1887357 0.00607881219604324 FALSE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 177.88 NA "1" 0.189033868824133 1156.2770652 0.00108734311656538 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 192.083 NA "1" 1 1063396.68462 1 TRUE "N,N-diethyl-m-toluamide ou DEET" NA NA NA 192.983 NA "1" 0.843516913487705 669.860601479 0.000629925418394897 TRUE "Nigericin" NA NA NA 303.112 NA "8" 0.276061805503448 256.771903521 2.6267948084131e-05 TRUE "Nigericin" NA NA NA 345.081 NA "8" 0.872974522948053 170.187350269 1.74102867959473e-05 TRUE "Nigericin" NA NA NA 361.017 NA "8" 0.0124772075594237 270.481686601 2.76704686296107e-05 TRUE "Nigericin" NA NA NA 377.207 NA "8" 0.131631712997993 212.930380819 2.17829291764015e-05 TRUE "Nigericin" NA NA NA 399.234 NA "8" -0.160310017373442 155.459186543 1.59035851871495e-05 FALSE "Nigericin" NA NA NA 419.123 NA "8" 0.454680561332234 334.087566385 3.41773953030539e-05 TRUE "Nigericin" NA NA NA 485.072 NA "8" 0.625478626726129 192.458596704 1.96886511228122e-05 TRUE "Nigericin" NA NA NA 491.181 NA "8" 0.789429377035226 124.569573874 1.27435558739663e-05 TRUE "Nigericin" NA NA NA 501.074 NA "8" 0.518631975615399 1962.279740704 0.000200742611043264 TRUE "Nigericin" NA NA NA 501.674 NA "8" -0.430131005779289 200.27525187 2.04883004975159e-05 FALSE "Nigericin" NA NA NA 507.181 NA "8" -0.251490955631681 218.69433498 2.23725857805091e-05 FALSE "Nigericin" NA NA NA 509.012 NA "8" -0.429865460317741 199.1876421 2.03770372456477e-05 FALSE "Nigericin" NA NA NA 523.044 NA "8" 0.751433918824564 240.14782524 2.45672930699186e-05 TRUE "Nigericin" NA NA NA 525.047 NA "8" 0.369620356347346 576.361316696 5.89621720175225e-05 TRUE "Nigericin" NA NA NA 559.128 NA "8" -0.452581405412262 103.529180519 1.05911086913109e-05 FALSE "Nigericin" NA NA NA 567.118 NA "8" -0.280307875056363 249.41364288 2.55151927948768e-05 FALSE "Nigericin" NA NA NA 567.84 NA "8" 0.314904511665119 259.228322029 2.65192414419954e-05 TRUE "Nigericin" NA NA NA 573.188 NA "8" 0.204956739980892 221.88957263 2.26994608612938e-05 TRUE "Nigericin" NA NA NA 580.134 NA "8" -0.922860631777539 194.64446546 1.99122670489084e-05 FALSE "Nigericin" NA NA NA 583.175 NA "8" -0.278575818189492 7100.821918505 0.000726419125115431 FALSE "Nigericin" NA NA NA 589.224 NA "8" 0.259267360589335 295.832520469 3.0263876937929e-05 TRUE "Nigericin" NA NA NA 597.137 NA "8" 0.0962309118248645 733.689611459 7.50569683029789e-05 TRUE "Nigericin" NA NA NA 599.176 NA "8" 0.4954055574688 643.235493679 6.58034478154985e-05 TRUE "Nigericin" NA NA NA 605.112 NA "8" -0.131821024710719 667.355635634 6.82709554671057e-05 FALSE "Nigericin" NA NA NA 607.207 NA "8" 0.386404570315643 160.19072342 1.63876247699032e-05 TRUE "Nigericin" NA NA NA 641.29 NA "8" 0.525836751321722 128.127842899 1.31075693222306e-05 TRUE "Nigericin" NA NA NA 643.054 NA "8" -0.122597010721492 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0.73706774686317 1298.919650077 0.00856612738265254 TRUE "Prochloraz" NA NA NA 293.094 NA "7" -0.0928829745817302 200.444505207 0.00132189328620453 FALSE "Prochloraz" NA NA NA 294.038 NA "7" -0.131949255889773 1575.694126647 0.0103914022735398 FALSE "Prochloraz" NA NA NA 304.076 NA "7" -0.195251390549766 809.598223213 0.00533914588820071 FALSE "Prochloraz" NA NA NA 308.049 NA "7" 1 151634.4074812 1 TRUE "Prochloraz" NA NA NA 310.076 NA "7" -0.143486884545167 105.641312124 0.000696684307201831 FALSE "Prochloraz" NA NA NA 315.042 NA "7" 0.245421552872291 440.677309527 0.00290618281725825 TRUE "Prochloraz" NA NA NA 316.046 NA "7" 0.202875988168563 2305.138855487 0.0152019511519692 TRUE "Prochloraz" NA NA NA 333.982 NA "7" 0.674615895655882 201.20180177 0.00132688751261778 TRUE "Prochloraz" NA NA NA 344.079 NA "7" -0.113070554769094 697.322455414 0.0045987086110417 FALSE "Prochloraz" NA NA NA 358.19 NA "7" -0.564930888257682 305.289077308 0.00201332324489645 FALSE "Prochloraz" NA NA NA 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125.034 NA "9" 0.0397963868912145 122.26306915 0.00222299843980867 TRUE "TCMTB" NA NA NA 133.03 NA "9" 0.054650495781933 412.972375868 0.00750870196226088 TRUE "TCMTB" NA NA NA 134.918 NA "9" 0.351599225445259 188.844723215 0.00343359223673672 TRUE "TCMTB" NA NA NA 138.955 NA "9" 0.13572014041587 204.951471794 0.00372644663022147 TRUE "TCMTB" NA NA NA 147.15 NA "9" 0.320466356718487 192.940634707 0.00350806447859693 TRUE "TCMTB" NA NA NA 148.979 NA "9" 0.223591193175522 126.687723869 0.00230344792145027 TRUE "TCMTB" NA NA NA 151.037 NA "9" 0.750680255774775 238.69669676 0.00434000543397092 TRUE "TCMTB" NA NA NA 152.995 NA "9" -0.617016081640096 164.52813863 0.00299146584509828 FALSE "TCMTB" NA NA NA 156.887 NA "9" -0.0259627241174842 524.488719947 0.00953630245212462 FALSE "TCMTB" NA NA NA 161.118 NA "9" -0.204251008676577 241.425545684 0.00438962161768608 FALSE "TCMTB" NA NA NA 163.056 NA "9" 0.0215068549108266 132.498260018 0.00240909562752766 TRUE "TCMTB" NA NA NA 165.083 NA "9" -0.207871487711712 231.5828352 0.00421066054463649 FALSE "TCMTB" NA NA NA 166.953 NA "9" -0.249110866776093 119.464797018 0.00217211999689992 FALSE "TCMTB" NA NA NA 175.052 NA "9" -0.0313920946703947 383.484092949 0.00697254327282744 FALSE "TCMTB" NA NA NA 177.075 NA "9" 0.41501815921315 181.200629236 0.00329460661248235 TRUE "TCMTB" NA NA NA 179.038 NA "9" -0.313553092985572 1750.86946875 0.0318344707391953 FALSE "TCMTB" NA NA NA 179.947 NA "9" 1 54999.170022145 1 TRUE "TCMTB" NA NA NA 181.007 NA "9" 0.302297168291448 596.373793601 0.010843323514898 TRUE "TCMTB" NA NA NA 183.01 NA "9" 0.298579746612432 494.953159792 0.0089992841636103 TRUE "TCMTB" NA NA NA 193.085 NA "9" -0.221705058166404 809.099626569 0.0147111242995707 FALSE "TCMTB" NA NA NA 195.062 NA "9" 0.292986177252399 725.98131943 0.0131998595458384 TRUE "TCMTB" NA NA NA 196.131 NA "9" 0.562805407922502 133.296440371 0.00242360821658453 TRUE "TCMTB" NA NA NA 197.056 NA "9" 0.223942590678324 523.726283058 0.00952243975403857 TRUE "TCMTB" NA NA NA 197.934 NA "9" 0.0775052332567154 208.4981954115 0.00379093348731535 TRUE "TCMTB" NA NA NA 203.096 NA "9" -0.221096165550379 459.324955954 0.00835148886372388 FALSE "TCMTB" NA NA NA 206.037 NA "9" 0.224708424475271 152.820631021 0.00277859885811855 TRUE "TCMTB" NA NA NA 206.968 NA "9" 0.0648459873610877 3160.93913257 0.0574724878811311 TRUE "TCMTB" NA NA NA 209.042 NA "9" -0.436829860514424 3198.85811233 0.0581619342808629 FALSE "TCMTB" NA NA NA 211.115 NA "9" -0.280740026389369 578.71673209 0.0105222811881886 FALSE "TCMTB" NA NA NA 211.964 NA "9" 0.883363605602239 20718.67312981 0.376708832541796 TRUE "TCMTB" NA NA NA 219.123 NA "9" 0.156834806955156 123.263058663 0.00224118034169187 TRUE "TCMTB" NA NA NA 221.079 NA "9" -0.065589553913041 2733.66568752 0.0497037625553133 FALSE "TCMTB" NA NA NA 223.1 NA "9" 0.160330819515189 543.135544781 0.0098753407471842 TRUE "TCMTB" NA NA NA 225.046 NA "9" -0.213427886842008 381.507453195 0.00693660382586481 FALSE "TCMTB" NA NA NA 239.075 NA "9" 0.0824682602917446 27067.5244917 0.492144235645765 TRUE "Trichlorfon (Dylox)" NA NA NA 78.8 NA "4" 0.151257867874564 279.873629576 0.00690652095555926 TRUE "Trichlorfon (Dylox)" NA NA NA 108.91 NA "4" 0.959259374557172 9640.82224867 0.237909305675332 TRUE "Trichlorfon (Dylox)" NA NA NA 125.093 NA "4" -0.504318115966813 178.089407913 0.00439476284199285 FALSE "Trichlorfon (Dylox)" NA NA NA 126.982 NA "4" 0.717921604701925 1076.07612804 0.0265546358881489 TRUE "Trichlorfon (Dylox)" NA NA NA 139.993 NA "4" 0.278147849900483 1970.98268515 0.0486384988777101 TRUE "Trichlorfon (Dylox)" NA NA NA 144.957 NA "4" 0.85077548456359 4235.84716059 0.104529202066952 TRUE "Trichlorfon (Dylox)" NA NA NA 184.933 NA "4" 0.175270400314752 348.909767164 0.00861014530796692 TRUE "Trichlorfon (Dylox)" NA NA NA 187.018 NA "4" -0.317527047384557 107.324927324 0.00264848767902871 FALSE "Trichlorfon (Dylox)" NA NA NA 196.962 NA "4" -0.0120243563814562 2081.96281053 0.0513771869161251 FALSE "Trichlorfon (Dylox)" NA NA NA 199.081 NA "4" 0.511848259153306 144.142693995 0.00355705015215411 TRUE "Trichlorfon (Dylox)" NA NA NA 201.178 NA "4" 0.0484047608338802 127.383673675 0.00314348305328139 TRUE "Trichlorfon (Dylox)" NA NA NA 211.039 NA "4" 0.522207219270133 156.726169586 0.00386757614917167 TRUE "Trichlorfon (Dylox)" NA NA NA 212.979 NA "4" 0.251045877916677 334.711538323 0.00825977158690306 TRUE "Trichlorfon (Dylox)" NA NA NA 215.037 NA "4" 0.123612564840088 412.352368363 0.0101757363760497 TRUE "Trichlorfon (Dylox)" NA NA NA 220.939 NA "4" 1 40523.0985871 1 TRUE "Trichlorfon (Dylox)" NA NA NA 225.006 NA "4" -0.418502449320938 503.974612244 0.012436724480996 FALSE "Trichlorfon (Dylox)" NA NA NA 226.966 NA "4" 0.029974355651004 177.141063216 0.00437136027086513 TRUE "Trichlorfon (Dylox)" NA NA NA 228.998 NA "4" 0.686355561238603 1013.548554406 0.0250116252148756 TRUE "Trichlorfon (Dylox)" NA NA NA 239.072 NA "4" -0.223508651705819 1313.5219316555 0.0324141533459547 FALSE "Trichlorfon (Dylox)" NA NA NA 257.008 NA "4" 0.950607639404665 25290.7478033 0.624106958379313 TRUE