#METABOLOMICS WORKBENCH ioerger_20151113_9386291_mwtab.txt DATATRACK_ID:422 STUDY_ID:ST000263 ANALYSIS_ID:AN000420 PROJECT_ID:PR000187 VERSION 1 CREATED_ON 2016-09-17 #PROJECT PR:PROJECT_TITLE FLUTE: Functionalizing Lists of Unknown TB Entities PR:PROJECT_TYPE NIH U19 PR:PROJECT_SUMMARY functional genomics of proteins of unknown function in M. tuberculosis PR:INSTITUTE Weill Cornell Medical College PR:DEPARTMENT Microbiology and Immunology PR:LAST_NAME Rhee PR:FIRST_NAME Kyu PR:ADDRESS #N/A PR:EMAIL kyr9001@med.cornell.edu PR:PHONE - #STUDY ST:STUDY_TITLE Activity-Based Metabolic Profiling of M. tuberculosis H37Rv Rv1016 ST:STUDY_TYPE timecourse ST:STUDY_SUMMARY These experiments involve incubating various proteins of unknown function in ST:STUDY_SUMMARY M. tuberculosis genome with whole-cell lysate and assaying changes in ST:STUDY_SUMMARY levels over time (e.g. 0, 15, 30min) to try to infer what reaction they might ST:INSTITUTE Weill Cornell Medical College ST:DEPARTMENT Microbiology and Immunology ST:LAST_NAME Rhee ST:FIRST_NAME Kyu ST:ADDRESS Department of Microbiology and Immunology, Weill Cornell Medical College, 1300 ST:ADDRESS Avenue, New York, NY ST:EMAIL kyr9001@med.cornell.edu ST:PHONE - ST:NUM_GROUPS 3 replicates X 3 timepoints ST:STUDY_COMMENTS The timepoints in the datafiles refer the amount of time (in minutes) that each ST:STUDY_COMMENTS was incubated with lysate.The units for 'mzmed' are mass/charge.The units for ST:STUDY_COMMENTS are seconds (retention time).The units for all the other data columns in the ST:STUDY_COMMENTS are arbitrary; they are integrated peak counts.In this study, Rv1713 was ST:STUDY_COMMENTS with lysate with and without 1mM GTP added as a co-factor. #SUBJECT SU:SUBJECT_TYPE Bacterial cells SU:SUBJECT_SPECIES Mycobacterium tuberculosis H37Rv SU:TAXONOMY_ID 83332 SU:GENOTYPE_STRAIN Mycobacterium tuberculosis H37Rv Rv1016 SU:SPECIES_GROUP Microorganism #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS Rv1016 1016_a_0 timepoint (min):0 SUBJECT_SAMPLE_FACTORS Rv1016 1016_a_15 timepoint (min):15 SUBJECT_SAMPLE_FACTORS Rv1016 1016_a_30 timepoint (min):30 SUBJECT_SAMPLE_FACTORS Rv1016 1016_b_0 timepoint (min):0 SUBJECT_SAMPLE_FACTORS Rv1016 1016_b_15 timepoint (min):15 SUBJECT_SAMPLE_FACTORS Rv1016 1016_b_30 timepoint (min):30 SUBJECT_SAMPLE_FACTORS Rv1016 1016_c_0 timepoint (min):0 SUBJECT_SAMPLE_FACTORS Rv1016 1016_c_15 timepoint (min):15 SUBJECT_SAMPLE_FACTORS Rv1016 1016_c_30 timepoint (min):30 #COLLECTION CO:COLLECTION_SUMMARY protein expression CO:COLLECTION_PROTOCOL_ID Rv1016 from M. tuberculosis H37Rv was expressed in E. coli cells and purified... CO:COLLECTION_VIALS polypropylene microfuge tubes CO:STORAGE_VIALS Agilent polypropylene conical bottom vials #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 10 uM enzyme incubated at 25C in M. bovis whole-cell extract SP:PROCESSING_METHOD extract was lyophilized and resuspended in 20 mM Tris-HCL pH 8.0 SP:PROCESSING_STORAGE_CONDITIONS cell pellet frozen at -80C SP:EXTRACTION_METHOD 70% acetonitrile SP:EXTRACT_CLEANUP centrifugation followed by aspiration of supernatant and lyophilization SP:EXTRACT_STORAGE frozen at -80C #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Aqueous normal phase diamond hydride CH:CHROMATOGRAPHY_TYPE Normal phase CH:INSTRUMENT_NAME Agilent 1290 CH:COLUMN_NAME Microsolv Diamond hydride (150mm, 4um) CH:METHODS_FILENAME ANPpos/ANP_neg CH:FLOW_RATE 0.4 ml/min CH:SOLVENT_A H20 +0.2% formic acid CH:SOLVENT_B acetonitrile + 0.2% formic acid CH:ANALYTICAL_TIME 24 minutes CH:WASHING_BUFFER 50% methanol #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Rhee Lab AN:SOFTWARE_VERSION XCMS online AN:DETECTOR_TYPE Agilent 6220 ToF MS #MS MS:INSTRUMENT_NAME Agilent 6220 TOF MS:INSTRUMENT_TYPE TOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:CAPILLARY_VOLTAGE 3500 MS:DRY_GAS_FLOW 10 l/min MS:DRY_GAS_TEMP 250 MS:FRAGMENT_VOLTAGE 135V MS:MASS_ACCURACY 5 ppm MS:NEBULIZER 35 MS:OCTPOLE_VOLTAGE 400 MS:SCAN_RANGE_MOVERZ 50-1200 MS:SCANNING_CYCLE 1.4 MS:SKIMMER_VOLTAGE 65 MS:MS_COMMENTS NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS integrated peak counts MS_METABOLITE_DATA_START Samples 1016_a_0 1016_b_0 1016_c_0 1016_a_15 1016_b_15 1016_c_15 1016_a_30 1016_b_30 1016_c_30 Factors timepoint (min):0 timepoint (min):0 timepoint (min):0 timepoint (min):15 timepoint (min):15 timepoint (min):15 timepoint (min):30 timepoint (min):30 timepoint (min):30 1168.76791688317_7.60166666666667 349318.7377 283430.9507 243072.4076 80764.03967 89110.4052 82331.948 93007.59653 96473.68451 N 929.652544837337_1.10596666666667 56120.77045 54238.13349 48785.39105 18907.37267 21461.82962 33755.65518 55252.69768 50659.6852 47303.25801 738.467782288399_4.56791666666667 103072.2211 53256.43295 95101.46683 85881.71403 103806.7791 110243.3656 188065.3942 189853.4355 236364.0617 406.05777216988_0.973966666666667 17588.03268 17603.78286 18257.9637 21367.42579 20269.92917 20671.80744 19835.93192 19748.29727 18702.90402 415.197259499253_0.9546 157617.4886 213188.0756 248598.7035 89572.59196 72002.37862 81503.97179 77364.6163 68789.72929 80881.8095 416.201112275573_0.9546 40371.04018 53959.76415 63551.26641 23607.23598 18681.78681 22355.39687 21494.77762 18595.63915 22141.76241 694.11408284521_4.17136666666667 41213.59001 40601.87363 41691.68461 37377.0466 32979.48772 34861.81818 34543.01453 35734.65932 35647.06777 899.238734133904_7.16541666666667 18835.10454 11246.71269 35693.7526 40935.78993 45502.15057 42592.67045 6842.902683 6525.812862 N 123.010696759378_0.486841666666667 50359.08864 42700.34795 57543.31553 27348.567 30179.29318 20839.83025 29703.30045 26709.3455 20385.62804 1193.11453478157_7.98116666666667 93140.79259 109981.1382 134398.3973 137711.5076 130644.4875 121678.1027 58045.6603 50640.12625 N 881.86736028417_4.17123333333333 14988.41545 15680.4498 14497.91952 16180.36888 15406.57854 14661.00345 11184.63893 13465.27245 11529.40002 356.081690381712_2.16684166666667 23427.55823 22566.6471 24834.23774 31033.98576 30379.07776 35007.58482 29637.9182 36344.14645 32249.83958 191.040802210097_0.143416666666667 1534991.572 1561797.138 2033369.802 1524794.879 1527100.055 2156110.626 3026724.528 3119608.977 4445025.077 1097.35838058101_6.44835 23373.55847 26189.06543 20933.18389 43769.20204 32206.5785 47848.71102 26609.91158 23207.42617 25178.34842 420.304099443139_1.05925 36921.74414 36625.88864 36610.36467 37229.89467 37422.08805 37517.77166 36297.77587 35437.68194 34544.35257 691.926627707988_5.29236666666667 21572.4735 22037.51198 20932.92133 23597.42911 19951.64638 21418.15495 17221.79701 18292.13795 17916.53189 769.156940566068_5.51785 22581.49223 24572.92227 19886.47641 22318.31201 19420.10087 18713.20462 27823.92925 25892.79919 26921.91592 825.202146263587_4.18166666666667 46224.89512 48649.74405 44537.11604 39766.86647 34706.23036 35520.91407 40783.64592 32480.8505 34100.42815 947.626437976106_8.02705 45209.83711 60305.93739 77673.20218 103716.0329 82094.14618 84621.38493 45345.28145 31276.52221 N 717.778437914971_4.34674166666667 148917.0812 161231.7484 149282.1231 159827.3383 180310.6162 174184.0555 176425.1755 181636.5158 188848.1969 871.379112336447_0.826883333333333 12974.32119 12208.4256 13542.90166 8753.709955 6788.573299 9723.309973 13679.93397 11321.26269 10595.59929 859.809071933621_8.08125833333333 4620.654402 11424.07196 13281.42976 23079.89044 27723.49173 14308.43949 4403.570382 7161.374397 N 315.249760262979_0.954533333333333 14044.4067 15020.12287 18241.40221 13622.52815 5825.206599 9191.418336 7717.35118 6503.243798 5771.089133 417.211076479051_0.96345 8697.946361 11792.0526 10798.48655 6789.649691 4909.125381 9621.545792 4776.809968 4185.229946 5150.889629 161.083891139867_7.216225 387411.5512 33042.44017 379142.9916 537435.6842 381429.4574 419287.4058 38540.08226 29795.39069 N 839.042489205381_8.04576666666667 14339.62803 24666.7054 32748.63743 30082.34817 53355.26717 47132.83725 17164.0189 11974.5843 N 1101.01781954439_0.113591666666667 15724.20437 17720.22906 21094.08843 14559.97824 15988.688 20717.96199 33037.72752 32873.16073 22823.43619 940.613212793797_5.55391666666667 89073.61428 115196.0663 96842.80093 67381.15608 79115.3367 64283.40787 91270.34223 85751.96605 95395.24846 644.722949185654_2.56351666666667 148899.1878 175084.323 150389.2788 196688.8482 203739.4808 197926.9279 155780.3133 182038.9075 144414.5305 862.550487748423_1.97255 69161.79209 65087.96356 64039.48723 54764.67239 55673.98115 61059.58476 64601.32659 62476.05794 60391.28678 1004.66492725994_0.8986 25159.93544 25057.28431 26013.46025 21394.26438 20076.91569 24966.051 27948.91188 26459.23756 26752.82573 654.447447307604_0.928833333333333 15492.23312 13909.27992 15623.95528 11076.09589 12214.66124 6974.637204 16736.77116 14824.14848 14342.91111 931.664132099491_0.96345 2242.033826 1822.609389 3481.982179 3709.201337 4840.303281 4567.826426 4804.082603 4547.216192 3797.417298 602.892064208993_1.6399 31296.18056 27893.43204 30615.57171 42895.96875 40302.27973 50934.42042 41591.981 30978.79899 32317.4025 996.12500412049_2.8097 242502.4866 284828.8313 205386.6121 163920.5611 173646.2683 190688.461 172820.0154 177375.5275 184683.7028 843.038571280194_4.19385 43632.49197 44623.25759 43176.56888 36342.30473 31374.03038 37846.76124 41478.57441 35567.63809 40717.30461 788.507410650404_1.74841666666667 9581.844245 12211.72297 10390.41949 9211.99263 9064.375951 8329.517367 8384.897504 7944.623641 6542.649236 937.326939985969_6.90641666666667 24610.4398 25028.86051 15856.67952 7740.899187 14774.14501 7512.957909 14635.28373 12862.08974 13234.39052 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78576.6317 122557.7849 845.150135300759_0.96345 28729.62698 27085.05986 31818.79919 36815.49282 32569.07747 38852.2999 34213.99385 33992.20395 33798.88598 1064.7513042876_1.035625 11131.4386 8490.797096 9710.045751 10517.79573 11476.1594 8452.859798 6941.319372 6544.329306 7120.388787 1193.76894795202_7.93345 137878.571 130559.6819 123252.6478 124414.1133 196077.81 151212.1839 73530.68598 91784.10103 N 1063.35654373649_7.53295 36462.96906 54440.96335 61741.68426 44114.62763 82849.28879 65373.13523 30441.62856 20399.94599 N 838.051841879472_8.02705 19796.9755 27830.77946 46446.59508 41649.23681 78625.93759 56873.83902 25339.89608 16135.64797 N 585.896226937482_1.0671 7789.571987 8808.521872 8790.12093 8973.504254 7149.183394 8397.19962 5802.476632 6498.200388 7056.825849 815.278099171825_6.73866666666667 8465.64572 7915.209394 3197.45675 3423.922023 4619.898611 1288.412195 9050.426264 8217.844972 9484.988641 1076.3444916645_6.75921666666667 159378.445 130481.3414 181601.8944 140382.2013 117250.6785 62888.0834 87459.25157 71708.65963 36376.50023 710.121842330979_4.41705 50804.71637 61625.41851 60494.8283 34852.89205 25092.0396 35851.67139 36071.09958 53445.85789 61771.27454 448.334647585842_0.8588 6319.767302 6758.430197 5887.676784 9872.9974 7065.157029 8759.139764 9544.093575 10272.79559 8137.755958 906.635406605955_0.9771 26637.36745 31393.17101 26461.41966 33065.55344 30085.0357 28927.05304 9859.391389 16201.61671 25324.45645 1188.10986210033_7.87393333333333 73354.80054 89097.15234 114052.2457 91150.93103 159117.6194 168047.3027 76220.87367 36644.82358 N 185.07624089383_0.1424 N 38028.05397 46035.74834 N N N 45613.91621 35099.22077 44180.42616 1100.04654768361_6.96369166666667 78730.16697 69542.325 78997.96801 83566.61946 93692.79164 115141.7398 69438.45601 60969.20033 32496.50215 1199.47356587603_8.01965 111430.7393 125626.5522 172134.8027 180076.8605 177336.3108 254123.285 134600.8191 41843.19528 N 323.22598199342_0.897 15440.10204 14637.90854 17729.95683 25546.93321 22564.60752 30449.43172 23473.13897 23392.59833 34067.47577 387.273507466198_1.08563333333333 71339.43183 78980.81594 57960.06767 45383.55858 40104.28673 55016.57614 41459.86678 48877.24035 56851.15518 1105.03488069052_6.86528333333333 129611.9617 209832.7127 275609.1286 176043.3918 250950.695 289886.9609 106356.7957 102670.5732 28429.93991 1053.73346957851_0.932708333333333 34360.40474 35370.89895 36051.08072 34080.22588 33611.6726 32544.58061 34729.42325 35653.43351 34939.16015 846.153618134363_0.962483333333333 8597.632795 7927.325127 9823.260602 10494.38567 9938.537678 10782.50894 9970.404961 10347.34653 10863.7247 149.979343972668_0.121483333333333 40442.25134 29413.4359 20071.20953 N N N N 27537.33627 N 892.548265015492_6.6282 27831.47251 26415.19821 24953.18866 24896.60276 32294.45548 23504.92708 20548.14241 19388.88536 12502.04734 821.528402284226_8.01763333333333 28072.36437 31898.05527 37222.3249 38867.73614 47730.86096 38774.10261 23864.045 25736.04494 N 1060.34424560814_7.95726666666667 156566.0074 140020.5234 204218.6515 144613.3102 167225.1208 188309.061 116622.0004 83784.85462 N 804.764585759828_7.51013333333333 47835.93312 58117.11647 61196.77591 74811.60974 75156.00659 98998.21438 50507.31457 45788.395 N 961.068036549534_2.23081666666667 18412.25683 16615.60428 16896.36749 20198.87509 18126.65937 19399.45649 17534.49169 16561.04585 15393.42259 677.945078224914_2.01045 70606.78363 44809.97599 119370.7921 170313.5918 143637.9495 119763.4853 169002.7282 152775.4415 126264.2878 628.079117188028_2.80221666666667 30056.09004 31459.39244 26777.95041 25556.84957 25136.07616 24154.90917 26942.18644 23553.94802 26232.7431 182.067448988005_0.1424 49232.99163 47069.80747 30059.55644 N N N N 49550.0684 31039.05468 484.321630297802_0.8739 26579.05257 29242.25719 29236.69304 24539.32791 19319.63737 20694.88143 39314.4446 28064.43996 29233.85493 510.630546167995_2.2292 13563.1957 14546.17773 14363.12326 13181.99891 12370.35135 12298.0542 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5102.87828 8411.716365 6130.221585 5151.625692 5005.205502 4725.891559 3963.641609 3436.058434 684.95536950546_2.01045 551633.1876 221791.206 1380540.926 1423661.19 1506171.527 1650246.77 1466794.139 1584525.222 1545633.553 1158.80251372712_1.00096666666667 23132.03321 25512.17101 24977.9666 21312.35046 21234.26306 23163.72799 25971.24678 24763.50426 23488.85461 789.012296978626_1.73616666666667 11481.42947 14007.57861 9376.044733 45136.76608 41801.03221 68694.19824 9218.670317 43154.5935 50110.85646 170.964473711007_0.6032 27808.19792 20356.3157 34609.7278 25216.19102 23620.62738 32917.41041 84920.03673 83435.91262 33879.25393 843.770381017881_6.4635 14984.24049 19389.79918 17352.61898 14376.78426 15364.55573 17467.6382 14546.4429 10716.66113 8397.448957 953.621328473335_8.16625 13845.09107 13431.86788 17154.55099 20698.73416 26249.82538 16468.53817 6582.106526 14976.46277 N 820.532004723974_1.66021666666667 31598.58836 52253.19366 64461.42822 43719.98185 46589.11637 61399.56203 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147728.3734 127515.6259 N 870.227813032686_4.63368333333333 50513.43187 40948.8791 144034.982 41052.5449 39186.64989 46319.03269 52705.79956 40273.62266 52729.13304 850.258525143847_8.9553 201511.2409 251171.0033 194731.179 149112.0579 209085.3693 198352.2451 166145.0772 228995.2568 N 92.4893855940556_12.7378916666667 80756.10953 70805.12592 113022.6487 81334.93111 72244.38735 N 74725.59032 72204.5042 N 781.003001335226_7.78393333333333 66638.83327 40923.96928 166851.2717 35136.9823 135755.5865 126235.4872 44561.51984 76408.26619 N 881.995245816452_10.4182583333333 164191.3143 266081.8781 188469.4178 196736.9233 173958.6471 197739.6269 208146.0127 172540.9799 N 1063.36091519909_7.24543333333333 265390.8125 241670.9291 59460.98453 98201.15146 130640.5638 44763.00776 164315.6754 165609.9605 N 719.125920411123_4.64593333333333 98548.89288 98607.28709 83006.34993 240681.7795 73161.19396 220165.919 232600.5008 84047.83667 84092.97172 774.74721675406_7.193925 42843.46401 27787.38447 150069.2248 25565.39643 62273.48652 144359.6117 29401.75646 29177.50786 8891.679425 81.0169982947366_20.3825833333333 38725.29169 48908.56923 29835.69124 43527.53618 50602.5345 N 6909.922042 39469.06707 N 986.153077292032_8.03206666666667 128866.9876 67527.84408 148368.3785 74896.87544 116747.0494 228255.0625 81122.20863 121728.6211 N 891.844107015256_7.65923333333333 51994.96487 55577.49281 52656.75489 51470.97534 57592.80325 70525.23597 56898.42617 55875.41565 N 95.9891712271272_12.749675 27671.21325 30916.63486 39781.27579 33826.6632 24605.93957 N 28465.82418 25335.64056 N 877.240969447648_9.76226666666667 31537.94994 100048.8538 39281.98546 97385.4508 81461.14826 62040.13828 89735.82308 26146.02329 N 993.654125897581_7.41998333333333 404149.7017 311351.6859 512205.6332 503643.5798 386975.5591 487726.7294 445131.4379 399995.1965 N 846.32193784829_9.38223333333333 269874.527 308213.7051 320842.9722 212444.0708 261710.5568 250320.1025 278181.7264 284437.5605 N 1138.7550845251_7.5874 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570.142172939099_6.84801666666667 3423.265927 12627.69614 16638.58679 15921.85556 6058.009996 16150.92504 11327.36461 6292.490135 N 891.2290715925_6.61075 9134.664914 38758.26652 40176.64359 3359.355836 19905.7898 39432.9399 6281.637059 5651.531633 22116.31661 976.579450285829_8.93615 286897.1808 333337.0182 262714.2399 234598.2006 289049.9704 264357.1455 264918.7949 290897.5986 N 593.242993314819_2.21966666666667 10730.08619 6950.495584 4453.8119 5173.541233 6277.583596 5430.630656 5408.210684 4911.508976 5824.330126 578.323867818975_2.6497 79059.14183 68635.76767 63931.9703 74245.61735 75703.53895 70267.96749 73941.76444 82521.02582 74360.99753 111.967509363636_0.605041666666667 10305.17189 8167.965154 13447.36268 336158.0672 8315.166453 12681.56633 8346.369891 7776.882956 10715.42033 873.57239960215_7.643125 199834.0801 312991.714 84150.55571 111796.1086 92147.46652 103946.3496 127674.6811 213367.9042 N 1063.69130629236_7.26218333333333 263726.0558 235940.7808 55041.08894 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186340.1127 215785.6684 188870.7572 139202.4974 207008.4446 164725.8927 151898.8674 212415.1551 478.210134686942_6.47534166666667 22333.26229 24748.49374 5827.943293 22882.37425 23230.77311 6650.50277 22864.1273 23775.42724 N 891.927060843909_5.22369166666667 107917.066 152279.7091 224131.1028 127901.1893 139250.2491 226888.4989 156404.8845 146716.6231 161907.0894 816.982015938308_8.49108333333333 306614.9385 975838.5086 156382.6704 992196.2972 69809.72393 138647.619 807897.2528 369676.3655 N 645.893510550501_1.4913 104164.5664 72099.77584 132582.7521 77720.91711 107423.8094 134949.5621 81426.88668 106140.2029 139891.7532 1133.40222362402_6.40463333333333 50845.28697 63840.32345 26117.57807 68053.23308 37591.921 29817.22746 68145.71748 62121.97536 19245.71842 907.188185794095_11.9948833333333 105777.9562 68235.08538 15932.54182 132602.0787 72203.95407 N 117083.7014 110756.1107 N 734.843825042864_1.59658333333333 6316.325682 4223.918077 9052.213476 4535.802661 5447.092144 9473.467804 6693.003065 5497.845079 8568.182769 988.28547964252_6.07581666666667 59177.61318 66989.69768 38768.75444 74809.25496 57091.58355 42423.46028 69626.35673 59441.96602 41943.61585 1177.78757989649_5.63663333333333 181875.5268 187292.0759 631554.9975 181373.6877 279653.5705 647213.6073 128914.1501 192890.8939 625142.458 847.895904275136_4.549 57584.83159 64599.2016 81585.92052 60979.44708 58057.01475 80798.17766 67903.84731 63136.10018 75587.34887 810.191803630948_3.93735 41078.44698 37655.62684 27690.01957 52397.21893 30868.79981 25148.15072 37719.415 38672.02719 25729.04938 95.9929979240757_1.39173333333333 14957.28166 17373.13779 9720.330316 14650.46111 15515.49703 9871.744239 14966.94419 15084.72303 10747.21197 542.317237228069_3.01951666666667 31841.65105 35826.93845 24092.46195 40900.21884 31599.64524 20105.76792 34880.05274 33333.24915 19339.76186 763.997900385309_3.02713333333333 10934305.59 12599354 11582011.35 14003506.82 9726227.732 10959214.18 12699775.1 11676550.61 11220634.11 907.161795764788_11.041775 76892.11916 43974.80898 547.0382944 33994.23146 73380.29088 N 65419.15394 65749.39312 N 283.118865754946_0.487116666666667 28376.92951 29316.64552 34961.90983 30976.63241 27877.14784 31547.17888 35929.62019 28463.75978 27368.52485 750.160156010536_9.910725 16803.73678 23995.93759 2787.124374 24396.82697 5753.362322 6513.483898 22066.39452 19347.75273 N 618.070704903056_2.56348333333333 59901.5433 54956.43925 80648.19633 55855.23626 60214.94703 80977.77977 59202.72077 60390.19686 84104.60108 981.123880384076_6.03876666666667 86730.51654 84080.32512 2895.076712 130168.1089 74722.79302 3454.508026 102340.2804 88413.61522 4559.372896 858.551123212206_6.79655833333333 96291.9891 155469.7261 51155.19019 190569.9391 62504.76037 60289.41537 158439.9075 134427.9572 48326.67238 591.131728265551_1.70861666666667 120264.3952 116478.018 20398.99125 117104.7613 81619.65292 26979.00192 101573.2788 117492.2078 27193.24782 725.456925204916_2.594925 118944.8925 141548.6279 106401.7449 147548.6389 105236.5878 102506.0575 132021.0815 121137.5549 110549.9776 981.957106094516_6.08275 40120.99041 56582.80143 27572.74076 59719.35164 25772.81278 29013.25311 50246.85604 42434.96816 25992.22215 826.315360273491_0.6741 6435.013958 7844.604919 9725.245347 8580.539228 5716.476685 9124.302213 7563.77407 6583.087927 8867.110843 796.017710815537_8.23746666666667 986474.4367 118390.4602 161794.6696 53131.395 731341.8585 200666.988 226684.685 931108.85 N 284.063838287673_5.459025 27854.83217 35145.89584 6961.687309 30400.80507 24333.04732 8254.107962 29936.55556 25617.90511 7384.13461 872.586816470781_4.81193333333333 119843.2511 104713.7721 222662.6351 118569.2575 109504.2545 187956.2412 122697.0953 119149.2745 186352.6073 692.440681107362_4.08181666666667 782282.3583 754430.3483 414961.0796 746772.2327 714448.8999 395325.8212 765796.1365 656739.6362 415085.4248 800.236091043783_8.49108333333333 461108.3769 1296069.779 N 1269037.438 86961.18188 1868.222579 1090996.156 528126.6674 N 98.9695188634187_1.43405 24041555.02 31294495.34 16195878.08 30824180.7 24469608.01 17159577.88 27925657.65 24906846.63 15415111.19 394.783667471503_0.931733333333333 777662.6823 832067.8653 406329.7623 928042.0078 680417.8353 428269.8423 813304.4904 678018.0276 410517.6082 677.403995393379_2.07650833333333 412798.1319 589199.4649 531584.5387 669607.3029 393836.5936 514802.8452 516984.9757 485130.7489 518346.0197 656.861925609727_2.4074 11132.3229 11616.98437 3822.3847 11848.86786 11350.32734 5218.568883 12340.70631 12789.85553 4121.41382 221.103906158011_1.22943333333333 151131.1485 165069.9364 103241.1704 170589.9227 132040.1201 106078.1025 153551.2713 140225.9844 106829.2337 693.46169291785_1.30808333333333 712667.8859 1003937.898 439115.0389 911484.3982 661179.8277 445186.9867 838398.2157 723933.1112 473400.928 1031.66617461713_7.743325 815913.7371 506070.531 513348.8391 431600.9304 820185.7814 507394.1784 1175768.228 819593.4173 N 78.3654400788232_3.16678333333333 6746.281182 7311.421323 N 8722.855017 6934.491638 N 5641.479281 7390.590988 N 326.098124402584_2.67875 84966.41437 80625.59072 340489.0215 98161.88517 84612.36741 263369.0964 88302.75193 94372.92439 344748.0685 317.135442865676_1.76011666666667 8121.438133 10213.70483 669.8065386 9939.885493 6274.419728 1861.261975 8546.738621 6489.215827 1295.999682 850.277359775526_2.921475 8620.11353 5482.710761 762.3376896 7728.857969 7583.631133 1421.140448 8185.325698 7638.833964 1277.799265 1190.08902550573_8.32676666666667 72315.3052 321414.783 19578.34024 425628.5001 39947.25914 22941.92156 222587.6077 158958.2016 N 701.48710481121_0.940316666666667 118525.3552 124295.3541 149487.3498 122175.5585 125784.9305 143339.5729 119657.8964 130668.8762 149307.51 1053.68545961881_4.39236666666667 127349.862 158485.3414 71002.77005 146614.3266 121684.9579 69957.56823 136738.4331 125463.7717 70761.70233 360.345791099584_5.31626666666667 20983.07682 20480.40651 264.1579641 18703.64298 15744.15417 628.819826 18772.9346 18184.07201 747.0832549 554.204611453228_1.30989166666667 8065.027487 8879.387036 3752.618225 9116.463635 7268.399088 3915.650397 8795.284582 6993.826389 3252.766551 863.585897983491_1.03573333333333 244677.002 304566.3969 265736.7821 313174.6387 232247.9329 258036.8681 283034.6371 254283.4097 258254.0149 549.802254870346_12.7969333333333 5444.089496 8070.028249 2837.513824 9153.731688 5301.246131 N 7871.797504 6193.36179 N 1095.38234728493_6.74331666666667 399551.7105 890926.4335 282976.719 774644.9411 266090.2641 348800.9482 696816.9603 692873.5472 141831.3654 775.991416020738_3.02491666666667 268514.5952 261314.2693 118103.1829 243274.8886 249153.0797 109264.2805 262339.7147 230507.2217 113400.7779 482.251371146172_3.71453333333333 59177.89473 61147.95916 29170.24232 60205.58323 53291.26177 29742.32503 60073.96855 49561.10522 29537.94097 321.023606110608_2.06423333333333 9740.957517 17304.32984 N 13824.08137 9048.203994 153.8969657 12305.64795 10495.88663 132.007429 886.259002978269_5.03888333333333 184253.204 202343.6385 325488.9283 204292.0278 183300.311 335370.7684 196311.7365 221427.4113 341872.2875 507.168329243712_3.16678333333333 41098.38602 44217.13055 27572.81696 46175.38932 40318.96401 29183.64296 42864.36298 41032.6275 26190.13899 923.577284802715_6.59871666666667 119763.5048 161226.643 30760.73487 143822.7071 104731.2699 31687.89924 135210.1861 116107.368 25842.16286 485.221914329899_6.24275 62663.27029 42174.76766 5051.452416 42157.64158 67524.98728 5327.107203 52085.35043 37383.19328 8472.506732 701.367119680863_1.03573333333333 113649.5966 91221.21417 67590.97573 94210.94955 114000.6635 64170.2485 99964.54165 94069.39556 66263.48495 432.19357992747_7.32471666666667 10800.29653 8663.939564 1514.425369 9607.260459 9999.927663 1608.134941 8908.5493 15422.64115 N 532.251979042286_1.77126666666667 8518.452492 11545.47965 4623.156148 11278.89894 10447.31195 4847.039897 11200.25671 8675.222419 4899.526693 772.450623551569_1.10156666666667 10222.42232 10438.7849 7260.323199 8786.215396 11036.88452 6737.806165 10669.29324 10362.91476 6187.771572 891.012997593237_1.619575 15736.96534 20016.26226 8731.27066 17750.56744 16686.54456 6316.616369 19911.43015 14955.80727 8146.77827 974.963111945603_6.09743333333333 62378.8739 85679.77465 47646.674 100391.5731 41601.8782 47530.16742 86177.2939 69222.30775 49245.76958 957.250224891408_5.73165 190805.9883 225104.977 73842.41647 318276.2014 100447.0769 75318.36202 265477.4179 213162.2003 71236.94867 428.153264492748_6.830975 13402.4266 14171.5416 1948.672311 14679.05596 13249.54432 4087.392622 15252.2648 12169.72942 286.8887164 721.467480920941_2.45444166666667 780911.0016 914426.4602 935188.3276 967490.895 701027.1127 898345.6892 909769.1008 781982.0351 916984.3465 812.513284353561_1.49865 156676.813 138354.91 227960.4136 153326.685 154845.8108 233160.3898 149564.7674 160847.1924 242383.4707 1114.20189341081_1.30545 4055.105784 4280.281938 1013.798955 3256.573658 4353.7587 1323.177554 4816.868237 4103.964317 1119.398166 651.557306005762_4.95884166666667 11433.91811 14572.33196 1496.794585 13041.41901 10264.56659 N 14067.18989 12731.25666 N 124.020532734785_2.2367 1101560.557 1331408.308 743434.3542 1194879.764 1051064.584 780153.4599 1156347.692 1141537.364 801780.595 491.210673680217_1.66481666666667 10601.93367 9479.235478 7463.206388 10566.56691 10014.93745 7998.784983 9901.583948 10948.87719 7095.133814 896.821986653355_8.27473333333333 185724.6082 586521.4015 49910.86571 646510.9604 72264.50733 46920.72214 428625.7842 220149.5471 N 520.83760158514_1.34251666666667 14870.17754 22695.02911 9433.412297 19832.94172 16341.50137 8985.673736 20397.01421 15825.31996 6763.376235 572.008860315453_4.04233333333333 21956.16612 17561.6047 23235.86823 20426.36751 20351.51367 22828.51074 20701.78693 20928.66067 22320.80788 995.646608061209_6.1098 32657.95088 48003.85408 114035.2354 25780.22208 60946.95373 122867.4156 30138.80818 26700.87794 122036.0465 974.606245973237_2.56445 234870.0299 251099.4137 283368.2492 245702.718 231867.5709 290212.874 240229.7922 236788.3284 277429.8222 521.322876917856_4.14895 111768.4574 138233.1986 127688.9884 134999.6582 107996.221 143529.9937 126117.1111 118762.6947 138919.2689 828.026450214306_3.71008333333333 1019416.539 970014.5128 563457.3408 918593.8025 981057.4133 555427.3356 961865.1654 890290.383 558572.3303 131.914770764024_0.639208333333333 41449.16574 36825.25037 66003.04662 61952.5991 22074.6809 62839.46014 40591.42471 36408.73943 59254.98876 810.424502755258_2.08565 13400.47344 19670.01328 1381.682662 23832.09833 3841.935639 2220.29403 16106.51505 11163.15275 1348.895907 426.257981829196_0.650283333333333 53097.14999 51479.48051 17169.37803 59966.64007 52555.80603 17543.73221 60128.05617 55565.29154 19553.28976 282.107643500901_7.9118 103111.9876 100713.1851 4524.371155 112388.7594 102426.5398 5738.921204 135692.1832 111180.639 N 217.047727120415_2.93845 7145.253561 7186.993227 753.0013548 6980.276284 6137.689929 185.5837922 8074.896361 6875.170971 615.1575647 927.595619800818_2.56398333333333 744878.6948 701633.6919 411749.0169 701018.1551 671750.3472 388136.3107 730413.4607 630222.9035 407625.4837 1101.05870604982_7.1172 25265.4278 43649.9158 13320.36305 52035.9397 24209.48129 14789.94446 36647.61659 20092.18919 27041.10671 721.459423655947_4.54598333333333 749769.2579 757442.7874 444573.3653 762717.8566 674964.3211 415864.4976 764434.0741 660689.3618 434767.9051 467.333028689095_14.0730166666667 18053.11999 30454.73896 N 26288.58877 15493.96957 N 24737.09093 15784.32079 N 842.565933306076_4.39075 103530.7333 81441.74539 151714.4899 85088.59654 88893.83822 155837.2195 85214.56927 99659.35336 169439.3598 513.080801691076_2.05159166666667 9277.457782 5917.851927 3689.950185 6543.960467 6755.343901 4195.966478 5344.893577 9153.056793 4129.925595 1158.76640625147_5.62323333333333 543441.6059 593038.507 778624.8426 459344.0454 610436.1127 964104.7861 476688.6636 426312.108 988359.157 321.321116136784_0.821516666666667 22334.64531 12819.14438 29602.15262 11677.7286 25019.05458 28782.41965 24718.73468 8415.134285 27039.91815 713.437583572908_1.31175 1539504.306 1499502.726 344859.8146 1451256.703 1302383.499 333323.3522 1474678.495 1162753.727 385084.7655 538.154545478644_1.91508333333333 194897.3646 222705.3166 72297.24024 184404.5596 185680.2607 85741.62051 194370.0847 174961.9115 83092.63743 90.9550288080764_1.43405 248593.4989 351743.0434 160598.8877 336402.1063 263350.3773 171983.3453 296088.874 267873.1596 157820.345 580.882086707729_5.60778333333333 8500.494358 9078.950166 27715.88277 1021.042702 18072.17177 26517.31633 4827.699389 6224.283599 27763.07125 283.104308187402_0.99805 9543.796896 10099.46275 873.3121957 9925.729655 8897.164033 N 10605.3555 10918.83886 719.8583456 773.235206414583_8.55101666666667 32604.87567 73493.22845 2504.338388 73883.98677 10282.30119 3895.315373 67570.25091 38788.40591 N 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57534.00858 53211.26763 53267.74374 57031.49514 49808.61097 57581.72144 57769.74623 51758.85404 54858.77293 1067.19675816697_3.76948333333333 119279.1653 200771.2393 931800.5265 178766.3169 126687.5033 953217.6301 185863.4721 136739.6081 986222.6428 262.07417348944_1.08218333333333 9570.52194 11171.22244 58158.02275 9158.33599 12932.19012 53810.78934 8901.912593 10846.73122 59414.40593 708.216783562662_3.200175 18091.8764 12723.21894 1026.180998 13462.12256 17222.05627 1251.604839 15861.89997 14319.74139 727.4280952 711.789289846158_3.791875 35201.29766 52075.55839 154280.1625 44046.2938 39314.98018 152116.8211 44334.00234 37607.25099 162162.6871 596.031003513827_4.59391666666667 62012.36797 53097.08264 35494.96272 58386.13176 58034.72408 35636.45303 58991.63771 55346.60897 37747.40711 396.103914453705_7.39695833333333 16218.32388 16044.55311 N 17884.54793 15086.86625 N 17825.36909 13891.0573 N 844.552606169551_1.97780833333333 18760.87715 16869.60415 27363.24571 18212.70263 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231537.5879 135468.3002 236969.9426 235529.8464 141677.7731 240458.6555 237523.6285 137617.099 1153.76426669566_7.86983333333333 183425.8766 367334.2987 57225.62547 210629.8352 323137.4827 76418.83122 301873.0027 310005.8356 N 920.280543129245_5.66619166666667 90251.84087 63135.69824 353904.1545 27748.86813 159975.2414 319986.4306 43550.03369 51063.7963 416723.7305 780.245761114753_9.73436666666667 60661.569 103969.3668 N 160444.0419 2058.373355 456.3107447 102594.7993 61349.50288 N 419.211765443147_4.19996666666667 16906.755 18833.06336 N 17096.15811 18840.72844 N 16757.17337 18908.25443 294.5925669 994.403541327941_8.21925 55886.92023 127701.6185 23245.88164 144754.6185 37174.28993 25837.96336 99190.13798 108822.402 N 377.151247639415_0.739133333333333 207999.4781 191525.3958 18676.91119 188882.4611 211935.8205 19373.77685 183913.8457 213680.4624 22161.68583 165.076623512481_3.79394166666667 14762.29462 15349.95094 152410.6069 9879.759474 15932.56065 156993.2734 8177.889859 7853.13646 165553.0413 999.324433110886_4.865475 28127.03419 28917.92988 17857.61543 31709.50817 25637.17298 17518.82956 30841.18641 24769.202 19199.8339 269.122102855131_0.943133333333333 23151.45994 25393.19394 63811.90374 27802.35457 21542.16538 63168.01383 24806.82607 24087.27637 63305.17097 221.035239648026_0.119625 341032.4417 321922.126 3491207.877 337608.3181 324449.2677 3485023.833 326877.6588 326295.3684 3516521.199 708.481658948367_1.30838333333333 8257470.078 8761442.806 4070766.263 9305997.836 7410110.949 4359337.102 8514757.895 7894509.004 4695988.505 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z retention index PubChem ID KEGG ID 1168.76791688317_7.60166666666667 1168.767917 7.601666667 929.652544837337_1.10596666666667 929.6525448 1.105966667 738.467782288399_4.56791666666667 738.4677823 4.567916667 406.05777216988_0.973966666666667 406.0577722 0.973966667 415.197259499253_0.9546 415.1972595 0.9546 416.201112275573_0.9546 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161.083891139867_7.216225 161.0838911 7.216225 839.042489205381_8.04576666666667 839.0424892 8.045766667 1101.01781954439_0.113591666666667 1101.01782 0.113591667 940.613212793797_5.55391666666667 940.6132128 5.553916667 644.722949185654_2.56351666666667 644.7229492 2.563516667 862.550487748423_1.97255 862.5504877 1.97255 1004.66492725994_0.8986 1004.664927 0.8986 654.447447307604_0.928833333333333 654.4474473 0.928833333 931.664132099491_0.96345 931.6641321 0.96345 602.892064208993_1.6399 602.8920642 1.6399 996.12500412049_2.8097 996.1250041 2.8097 843.038571280194_4.19385 843.0385713 4.19385 788.507410650404_1.74841666666667 788.5074107 1.748416667 937.326939985969_6.90641666666667 937.32694 6.906416667 1028.34296850767_7.769325 1028.342969 7.769325 1044.35298783048_7.5416 1044.352988 7.5416 990.961893889348_6.34956666666667 990.9618939 6.349566667 682.520331975854_0.944516666666667 682.520332 0.944516667 822.778483043304_7.50184166666667 822.778483 7.501841667 98.0572526150586_7.9171 98.05725262 7.9171 968.122068025943_2.668725 968.122068 2.668725 241.06101405651_0.137408333333333 241.0610141 0.137408333 845.150135300759_0.96345 845.1501353 0.96345 1064.7513042876_1.035625 1064.751304 1.035625 1193.76894795202_7.93345 1193.768948 7.93345 1063.35654373649_7.53295 1063.356544 7.53295 838.051841879472_8.02705 838.0518419 8.02705 585.896226937482_1.0671 585.8962269 1.0671 815.278099171825_6.73866666666667 815.2780992 6.738666667 1076.3444916645_6.75921666666667 1076.344492 6.759216667 710.121842330979_4.41705 710.1218423 4.41705 448.334647585842_0.8588 448.3346476 0.8588 906.635406605955_0.9771 906.6354066 0.9771 1188.10986210033_7.87393333333333 1188.109862 7.873933333 185.07624089383_0.1424 185.0762409 0.1424 1100.04654768361_6.96369166666667 1100.046548 6.963691667 1199.47356587603_8.01965 1199.473566 8.01965 323.22598199342_0.897 323.225982 0.897 387.273507466198_1.08563333333333 387.2735075 1.085633333 1105.03488069052_6.86528333333333 1105.034881 6.865283333 1053.73346957851_0.932708333333333 1053.73347 0.932708333 846.153618134363_0.962483333333333 846.1536181 0.962483333 149.979343972668_0.121483333333333 149.979344 0.121483333 892.548265015492_6.6282 892.548265 6.6282 821.528402284226_8.01763333333333 821.5284023 8.017633333 1060.34424560814_7.95726666666667 1060.344246 7.957266667 804.764585759828_7.51013333333333 804.7645858 7.510133333 961.068036549534_2.23081666666667 961.0680365 2.230816667 677.945078224914_2.01045 677.9450782 2.01045 628.079117188028_2.80221666666667 628.0791172 2.802216667 182.067448988005_0.1424 182.067449 0.1424 484.321630297802_0.8739 484.3216303 0.8739 510.630546167995_2.2292 510.6305462 2.2292 856.326767331399_9.58829166666667 856.3267673 9.588291667 1189.27944894491_5.97625 1189.279449 5.97625 253.111399564191_1.805 253.1113996 1.805 1061.69175746073_7.91616666666667 1061.691757 7.916166667 812.053607556031_1.1398 812.0536076 1.1398 1083.04510475257_7.99703333333333 1083.045105 7.997033333 710.065553406492_8.10933333333333 710.0655534 8.109333333 546.317750500169_0.733208333333333 546.3177505 0.733208333 684.95536950546_2.01045 684.9553695 2.01045 1158.80251372712_1.00096666666667 1158.802514 1.000966667 789.012296978626_1.73616666666667 789.012297 1.736166667 170.964473711007_0.6032 170.9644737 0.6032 843.770381017881_6.4635 843.770381 6.4635 953.621328473335_8.16625 953.6213285 8.16625 820.532004723974_1.66021666666667 820.5320047 1.660216667 733.439816549436_1.99551666666667 733.4398165 1.995516667 460.302628611707_1.11758333333333 460.3026286 1.117583333 794.759858275543_6.52088333333333 794.7598583 6.520883333 407.055027363182_0.96345 407.0550274 0.96345 724.411161582929_2.042925 724.4111616 2.042925 215.089275454313_6.05875 215.0892755 6.05875 1099.37695432313_6.11514166666667 1099.376954 6.115141667 816.03822912537_8.02189166666667 816.0382291 8.021891667 790.500438272799_8.0395 790.5004383 8.0395 1007.71172565582_0.931066666666667 1007.711726 0.931066667 1096.37698460207_7.437 1096.376985 7.437 870.375068085636_0.826733333333333 870.3750681 0.826733333 163.0254556195_1.38216666666667 163.0254556 1.382166667 860.800947892491_8.097975 860.8009479 8.097975 646.921715602362_1.91941666666667 646.9217156 1.919416667 790.751795773949_8.15241666666667 790.7517958 8.152416667 569.101777648614_1.41108333333333 569.1017776 1.411083333 700.481452635564_0.943383333333333 700.4814526 0.943383333 436.237886119464_0.143233333333333 436.2378861 0.143233333 715.755881925846_3.76976666666667 715.7558819 3.769766667 879.587179003782_1.02456666666667 879.587179 1.024566667 861.953815499936_9.63983333333334 861.9538155 9.639833333 382.138938468887_1.20868333333333 382.1389385 1.208683333 839.29211296004_8.05433333333333 839.292113 8.054333333 1023.3286911112_10.5697416666667 1023.328691 10.56974167 817.033076544406_8.004075 817.0330765 8.004075 930.099420159259_2.59236666666667 930.0994202 2.592366667 869.371441851327_0.826733333333333 869.3714419 0.826733333 1069.67599357312_6.61075 1069.675994 6.61075 970.940126501748_4.97981666666667 970.9401265 4.979816667 1168.09945970258_7.79275 1168.09946 7.79275 785.177332175365_3.32548333333333 785.1773322 3.325483333 933.24600184659_6.47553333333333 933.2460018 6.475533333 571.888900349791_1.20276666666667 571.8889003 1.202766667 838.302575025471_8.049425 838.302575 8.049425 757.500781308583_3.01581666666667 757.5007813 3.015816667 96.0589036596908_18.2498333333333 96.05890366 18.24983333 1068.33942202957_6.85023333333333 1068.339422 6.850233333 165.060089278358_1.26231666666667 165.0600893 1.262316667 316.172948128388_7.976275 316.1729481 7.976275 1049.67787472987_7.42885 1049.677875 7.42885 259.223245923205_0.861666666666667 259.2232459 0.861666667 931.099715440091_2.60156666666667 931.0997154 2.601566667 717.772571693395_4.06406666666667 717.7725717 4.064066667 871.594967854806_1.01988333333333 871.5949679 1.019883333 1063.91776864169_9.47675 1063.917769 9.47675 837.79971889534_8.02705 837.7997189 8.02705 400.885651450833_1.43405 400.8856515 1.43405 669.477879487824_0.988008333333333 669.4778795 0.988008333 842.52147575454_6.684325 842.5214758 6.684325 1105.72979384629_2.87968333333333 1105.729794 2.879683333 1056.42287815406_9.54908333333333 1056.422878 9.549083333 194.050512264956_2.85413333333333 194.0505123 2.854133333 82.0191812685259_0.29785 82.01918127 0.29785 1082.38902488331_8.049275 1082.389025 8.049275 172.092539582758_7.49221666666667 172.0925396 7.492216667 759.035977582606_1.13135 759.0359776 1.13135 817.284115077349_8.0834 817.2841151 8.0834 905.916531267221_5.23313333333333 905.9165313 5.233133333 742.057451537443_8.40388333333333 742.0574515 8.403883333 992.422909030813_7.886375 992.422909 7.886375 823.513105109873_6.74426666666667 823.5131051 6.744266667 194.049992380033_1.52835 194.0499924 1.52835 710.467824284858_8.12978333333333 710.4678243 8.129783333 1056.16874610329_9.5239 1056.168746 9.5239 1051.00335866419_7.55701666666667 1051.003359 7.557016667 125.949896222177_13.2222333333333 125.9498962 13.22223333 910.035217828161_2.11635833333333 910.0352178 2.116358333 249.081396055488_0.179 249.0813961 0.179 1012.32650450756_7.37686666666667 1012.326505 7.376866667 56.9811778471992_12.76155 56.98117785 12.76155 730.957481419828_6.4571 730.9574814 6.4571 964.3413911522_9.74835833333333 964.3413912 9.748358333 1056.01728842391_6.80638333333333 1056.017288 6.806383333 1070.72606768277_1.16865 1070.726068 1.16865 120.969437422065_0.241458333333333 120.9694374 0.241458333 1082.71438523189_8.03545 1082.714385 8.03545 238.034055826323_0.149125 238.0340558 0.149125 864.219799071513_4.57871666666667 864.2197991 4.578716667 65.053024029999_23.29075 65.05302403 23.29075 896.846243036331_7.55779166666667 896.846243 7.557791667 191.002946529752_2.1124 191.0029465 2.1124 1042.01570712193_7.96253333333333 1042.015707 7.962533333 892.083118495138_8.29986666666667 892.0831185 8.299866667 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