Metabolite,Quantification Ions,Avg. RI,Avg. RT (RI),Hits,SCS_HFO_filt_9.cmp,SCS_HFO_filt_12.cmp,SCS_HFO_filt_11.cmp,SCS_HFO_filt_10.cmp,SCS_HFO_unfilt_6.cmp,SCS_HFO_unfilt_7.cmp,SCS_HFO_unfilt_8.cmp,SCS_HFO_unfilt_4.cmp,SCS_HFO_unfilt_5.cmp,SCS_LFO_filt_10.cmp,SCS_LFO_filt_9.cmp,SCS_LFO_filt_12.cmp,SCS_LFO_filt_11.cmp,SCS_LFO_unfilt_5.cmp,SCS_LFO_unfilt_8.cmp,SCS_LFO_unfilt_4.cmp,SCS_LFO_unfilt_7.cmp,SCS_LFO_unfilt_6.cmp meso-Erythritol_4TMS,103 205 217 ,1469.8388699758,1459.9523293588,21,0,0,0,0,0,0,0,0,0,0,0,34959.4370990636,31700.9824373102,0,0,0,0,0 Valine_2TMS,144 145 218 ,1232.2567405607,1224.9528905755,26,819020.714114388,1042895.18472784,825223.16875954,1327642.14589737,976834.944447203,798070.764660054,799779.63747681,1689675.82508771,1235865.18601841,0,318582.266839147,404160.230815664,0,0,188767.444731719,268031.835058567,239636.86115253,158877.00850132 Uracil_2TMS,241 242 256 ,1425.9340345476,1417.0492504829,37,190325.702197558,295778.101472355,302970.493804663,307301.987719839,348537.455962562,350793.30540945,367927.493349459,293977.946091942,273615.149498988,115480.907207886,100425.996189347,154846.841214482,130382.48192771,116269.155231049,190697.89156069,112685.49492665,151198.395397655,122982.205219367 Tyrosine_3TMS,218 219 280 ,1981.598983632,1958.6129393125,16,0,0,0,0,0,0,0,0,0,43941.666490163,83140.8074569138,159097.781619721,93146.3632480517,73554.8719081764,177744.154980599,42147.7107500311,0,155171.790272143 Tyrosine_2TMS,179 180 208 ,2004.3411109714,1990.3040053676,27,0,0,0,0,0,0,0,768674.607039677,1237748.79715879,0,0,75502.6651431822,47201.5706065634,56418.3792025067,43368.5898668309,0,30419.8478777355,54426.2416810127 Threonine_3TMS,117 218 219 ,1388.3894011904,1381.0002119237,37,856574.097261754,346871.35644017,458043.691918771,1130068.77104745,978857.622471867,786199.57341599,756108.002095155,379949.395449878,1231580.7332219,349677.1317879,319761.09196523,751314.501242897,566046.658725552,385121.895303267,559370.729921523,260680.299272144,242109.953174879,578145.678948776 Threonine_2TMS,117 130 219 ,1347.6013843808,1346.123996879,20,488493.420245237,535227.645995945,475759.858894327,859221.446860534,776371.892079176,699959.676038393,762531.202157996,566991.273259889,802135.751700388,0,0,0,0,0,0,0,0,0 Succinic_acid_2TMS,149 217 247 ,1381.4623579832,1374.0279051877,35,45323.7608581511,94438.5881002531,60653.2323806618,72810.9488597887,42507.997786739,113344.179573505,89289.8078324207,27559.5525762009,28785.4884136537,7937.2023872187,9687.6326610606,12547.6759448085,12042.124176063,9159.4469756615,11839.2365448235,10484.1797895194,0,16836.8131947306 Serine_3TMS,204 205 218 ,1372.1143262174,1364.6517600032,37,1176689.90795169,721066.198288386,757474.087448768,1911111.65834232,1799705.39524025,1595583.91072552,1420759.43328224,974602.302564827,1979283.56177983,878845.928567927,735530.162576776,2013078.90103954,1493752.33583358,949940.916828855,1355737.7492625,632692.778541965,555187.712972555,1407197.01489812 Scyllo-inositol_6TMS,217 305 318 ,1936.8323890836,1922.5305970026,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 Pyroglutamic_acid_2TMS,156 157 258 ,1642.4370203569,1632.2061435746,37,44027046.2569019,32773791.7862931,36787081.1274974,11206193.7073081,55668672.091171,47398579.4059735,44796579.5257077,42939392.368551,12748163.6051029,6956892.47704844,5338968.24626784,15411830.0897824,13643842.4559805,7230446.83940096,9562842.54773988,4415238.84674134,4825400.97077104,11711287.7412044 Proline_2TMS,142 143 216 ,1337.4945442755,1329.8638196958,37,5498826.28106718,1498784.58491479,2563933.34728568,6847108.08148136,6593102.07786366,5015137.29555769,4492123.94312614,3498693.0740563,6960202.445127,1338707.24935165,1068970.01854276,3536315.48588028,2188881.94581407,1396543.30282458,1781807.85454085,838760.586869413,891269.137347555,1778222.13294773 Phenylalanine_2TMS,192 218 219 ,1693.9564459046,1684.8502204484,33,1184905.30078095,696235.822253723,961017.45236829,1739785.90380147,1635178.91575721,1346727.97212408,1231663.45375853,1261962.63798844,1948675.18273196,0,146032.364978066,0,0,0,335178.742362966,103396.073069191,89526.0865770861,278359.81388354 Pantothenic_acid_D-_3TMS,247 261 420 ,2035.228657737,2023.631670837,,155961.366977319,0,0,0,17717.2223390245,17286.3916709073,0,0,10103.8349147471,14161.7662756898,0,0,7855.849949532,0,0,0,0,0 Ornithine_4TMS,142 174 176 ,1782.4300694118,1772.0298964178,35,1595003.02850362,891469.604397391,1178911.37170727,2792834.68598062,2069923.53824355,2018886.82785158,1515337.8939415,1211394.80315888,2534385.86236045,440751.09646292,494283.784244553,1303079.0529396,773103.571769117,622485.163030279,1125990.55353644,265644.376335081,0,1009951.96712455 RI: 998.64,91 106 115 ,998.5852001882,984.3876307852,13,0,0,0,0,0,0,0,0,0,1081081.48615753,1239825.63209806,1392620.76177934,0,1209301.14384956,1033870.32907942,1230300.01161534,0,1450739.91569864 RI: 996.68,116 131 191 ,996.5736074697,982.3846604756,15,0,0,0,0,0,0,0,0,0,591112.433849332,700444.117852921,493110.620886283,482689.480097681,711390.446713448,676694.809827388,651374.486318726,637158.700492035,456099.786674147 RI: 3493.32,73 129 386 ,3493.3425016333,3453.4119398442,17,0,0,0,0,0,0,0,0,0,16824.3016171635,19085.2649900314,18944.1669728421,15987.7146250262,20461.9295750337,17597.6468095446,0,0,26724.7330238566 RI: 3458.84,121 357 396 ,3458.7333117711,3421.2973379655,19,0,0,0,0,0,0,0,0,0,82310.6921037595,90815.7457674245,98229.5856082049,84687.7625118701,93498.4478725078,93100.7686826075,87837.8715376743,85580.8878109827,92712.5717213418 RI: 3406.55,83 157 394 ,3406.5342646433,3362.1074658119,17,0,0,0,0,0,0,0,0,0,12823.1085731137,11922.8215803521,6323.3363046243,8040.1374513673,7653.0911756573,11184.1133206145,5692.1031054555,8945.581279237,0 RI: 3281.94,135 225 315 ,3281.937012804,3269.2162823977,27,277584.658512543,152962.141562237,164343.544776241,600469.23996681,490180.109949708,423177.455309441,254699.661925919,210335.869056382,329887.561074702,0,0,0,0,0,0,0,0,0 RI: 3269.59,223 482 483 ,3269.4458920502,3232.1192391761,19,0,0,0,0,0,0,0,0,0,58270.9599680862,59840.9740684334,53390.2844977611,66277.2446033955,60471.1061069241,72130.0555761113,48272.1179450849,59475.0154371041,69416.0038251753 RI: 3195.62,73 169 315 ,3195.8928974461,3182.4412401959,20,247596.464666313,83896.5949808046,97481.4681408774,438661.927362226,284226.988722869,264539.647755418,0,161050.039129036,195345.113158409,0,0,0,0,0,0,0,0,0 RI: 3053.03,226 243 315 ,3052.7957878874,3050.8012379639,19,175112.508335698,118429.81545099,92135.2515546092,354607.581472588,483221.816420002,260470.519310461,191015.864047881,272416.993064874,362223.844033758,0,0,0,0,0,0,0,0,0 RI: 2978.49,169 211 243 ,2978.6314433887,2978.6314433887,9,58350.5162852669,0,0,151246.881436874,189041.519476904,88625.0551767677,45438.6369180245,77915.9831199448,148789.211425999,0,0,0,0,0,0,0,0,0 RI: 2955.86,524 525 555 ,2955.9017962694,2920.4381660008,19,0,0,0,0,0,0,0,0,0,27856.1337427843,29941.1637535038,32550.1881831735,28043.6695058572,30419.9933521356,33788.0755489177,27158.5975002933,30532.6245296854,35964.6550719819 RI: 2955.63,148 201 267 ,2955.8248929728,2955.8248929728,18,151504.701282781,185929.462822078,142210.937197887,210645.297295293,238030.222052809,191462.841664682,169821.394147775,136932.469335971,161921.442521415,0,0,0,0,0,0,0,0,0 RI: 2934.57,112 185 201 ,2934.7292896948,2934.7292896948,18,294325.723472799,298806.649629273,271370.714789604,357874.163513331,322340.32664641,349222.750383439,272118.710124779,283963.949614287,291552.677050428,0,0,0,0,0,0,0,0,0 RI: 2842.96,511 512 513 ,2842.9445158486,2807.4825651369,19,0,0,0,0,0,0,0,0,0,88900.571716349,81515.9810300791,106552.874947278,93868.0406205615,100559.380458524,107528.007554589,74451.3932662276,96957.1645715994,109627.773379465 RI: 2826.04,213 497 498 ,2825.9886760154,2791.1170993265,17,0,0,0,0,0,0,0,0,0,0,49375.9570131077,36615.2099801337,31215.734993597,0,60559.3985537603,31102.5022503956,35930.8475808516,41748.5384217907 RI: 2793.07,265 296 366 ,2792.9520361767,2759.6996878663,19,0,0,0,0,0,0,0,0,0,19980.2887101995,22563.7925649987,23213.8581771498,20833.5481863327,22427.1147615835,27573.0785475008,22370.6941063758,20774.6190793326,24771.9898230075 RI: 2789.83,73 204 361 ,2789.8755678455,2756.6231765604,7,0,0,0,0,0,0,0,0,0,17806.0108051965,39622.4261527747,25981.0049956084,19950.9145232275,0,62315.343630529,0,25582.9006295947,35523.2419179883 RI: 2760.94,73 172 313 ,2761.0667287865,2761.0667287865,16,175325.429827252,47917.7194631705,80221.0045700856,239181.007570583,235755.839420683,0,240830.954344269,207115.443364611,112444.57975779,0,0,0,0,0,0,0,0,0 RI: 2741.34,265 350 382 ,2741.2530972799,2708.000026797,19,0,0,0,0,0,0,0,0,0,12539.8304154103,17162.0401534625,15948.0865616525,9995.1481339044,17741.420528248,18598.9315116652,11485.9218081032,14232.2537877204,18188.3114702664 RI: 2739.64,201 239 247 ,2739.7970402778,2739.7970402778,16,67810.0279264244,73875.1706524467,41567.3234763788,0,66312.891231484,73663.0490140943,113328.700447043,52898.2175044331,0,0,0,0,0,0,0,0,0,0 RI: 2681.96,317 419 447 ,2681.9630824466,2670.8784620873,27,18283.9371530048,25881.0177495151,21963.0350378031,26668.9992955789,22223.6418740359,44156.1784329056,34186.6040009331,16132.1833691057,22760.4134444385,0,0,0,0,0,0,0,0,0 RI: 2674.09,175 250 251 ,2674.0924674009,2640.8384587643,16,0,0,0,0,0,0,0,0,0,44255.2124252561,73182.9112189318,38715.9638060548,42775.7126675466,44631.3316285972,60073.755747973,52354.4600734973,47162.3171818425,50312.2079893267 RI: 2673.49,230 315 445 ,2674.5831557803,2656.5705876145,24,221676.565505573,0,0,606262.970862323,753026.116527264,704096.568693107,0,516573.136941561,986389.946356722,0,0,229751.262192784,204141.407435989,122495.913851123,0,0,0,313065.262850609 RI: 2573.66,239 499 500 ,2573.7766359421,2543.0274398855,13,0,0,0,0,0,0,0,0,0,47024.9655889212,97885.373239774,92321.2944705103,0,100421.573077901,84600.2655914205,0,57922.4133050316,182998.015523824 RI: 2524.43,505 577 578 ,2524.5495619292,2524.5495619292,9,277835.947764931,131702.005520881,85387.2920037487,165309.401275109,141932.465308285,170299.219625757,343093.707983312,0,148465.118751324,0,0,0,0,0,0,0,0,0 RI: 2521.24,388 390 476 ,2524.0479731504,2511.2949566098,24,32270.330539781,29786.0068389444,27469.7170730518,63292.389337485,62946.4201225364,98317.5101142094,41370.6136621894,0,56907.8281341626,0,0,0,0,0,0,0,0,0 RI: 2511.48,186 285 358 ,2513.6136486724,2483.0475363468,6,0,0,0,0,0,0,0,0,0,0,74185.7624597632,0,193428.038541436,140504.921170498,131572.776789115,0,73954.2654166121,233011.552936403 RI: 2510.82,73 103 327 ,2510.711692716,2480.1544114167,7,0,0,0,0,0,0,0,0,0,182868.128273657,871784.510038734,0,80099.6536612898,116687.525720422,0,309633.399539996,140245.110016431,238741.151374061 RI: 2496.17,131 256 577 ,2496.2295545025,2496.2295545025,7,0,167718.698266888,161577.176905355,208542.705915434,193658.64807407,255673.0924402,195014.673193326,0,146981.977954999,0,0,0,0,0,0,0,0,0 RI: 2488.41,119 339 340 ,2488.1211881315,2457.6326526517,19,0,0,0,0,0,0,0,0,0,79395.0986835785,102082.773646492,95413.4672481011,81054.0170114729,96985.1507970148,145133.812150792,76913.6816111854,88373.1115524771,109076.21724216 RI: 2469.32,191 257 258 ,2469.5339449344,2450.8041978671,13,0,108801.998180778,0,111293.85119648,0,124638.844999215,102123.717538631,0,42281.208210731,10892.9896677625,35468.7382026338,29245.3435485234,11797.8331573891,21016.5295985499,90048.3927823331,0,24107.7912912346,58682.3506719161 RI: 2461.97,116 129 241 ,2461.8690593434,2461.8690593434,15,78097.1393477844,60949.7753369412,0,0,35660.1879277217,131918.911743043,43233.4094977415,57211.5603806618,0,0,0,0,0,0,0,0,0,0 RI: 2439.56,326 327 396 ,2439.1804851933,2408.8408825858,19,0,0,0,0,0,0,0,0,0,19980.9343444713,36563.723682152,23000.587827622,29922.4540144125,35736.471089201,28312.3829306698,27088.0394317594,24529.318582816,27231.9449317406 RI: 2424.96,192 288 362 ,2425.408132468,2409.766953922,27,76199.231729105,81304.8167452825,70805.2315312727,104530.574155661,99016.2612134251,128785.504372909,109538.81649036,0,59577.7720938431,0,7387.2407479923,7638.340264268,0,2528.2666864317,17127.0475570698,0,4666.0364334445,14986.3127407237 RI: 2404.52,202 437 438 ,2406.5001704127,2396.2730158742,23,572555.317263773,386142.678386684,426663.879612616,916258.992131938,625398.912774522,975390.917968154,727212.272404367,0,504805.385484379,0,0,0,0,0,20826.8849520345,0,15476.9891353439,0 RI: 2403.73,217 445 608 ,2402.6411676263,2380.0084121623,10,0,0,0,0,0,20617.6597018691,0,512200.906374478,0,23590.9259726468,35687.3929255985,65947.4226944627,46339.7676530694,35031.6665886876,58138.5355194836,0,20588.2148101358,54572.2484081438 RI: 2397.17,217 218 438 ,2397.0295158198,2369.0307997303,12,0,0,0,0,0,0,0,0,0,12134.4515672678,32088.0911203232,34233.257791952,11960.3623670869,13664.1587931627,89247.8765679944,0,19188.7164050286,50389.7558618946 RI: 2394.80,230 437 529 ,2394.8022339588,2394.8022339588,9,387275.33811491,245446.411681259,304750.215289757,962414.462474715,860871.065620676,700959.506125226,477699.875224695,698943.340678147,507510.668470545,0,0,0,0,0,0,0,0,0 RI: 2383.78,116 217 625 ,2383.6741389543,2372.6874815608,28,44966.8211179683,50391.687909612,41631.8393933314,57306.0064138539,25875.7917241321,73687.4598544778,45935.9690704623,0,39600.0673270226,0,0,0,8282.3739742483,0,0,0,0,0 RI: 2377.98,217 300 356 ,2377.9846740879,2368.0025080261,28,281111.138947989,296771.687146974,298877.7483893,528149.734544829,490672.208158112,565099.663842472,355014.160013222,222686.91732804,313421.323377323,0,0,0,0,0,0,0,0,0 RI: 2359.31,107 213 282 ,2359.309716655,2359.309716655,18,3048809.26269038,1250580.9350025,1817720.04542431,3037894.79577387,2075001.04007051,2844250.2338963,1701021.05466997,2476502.4784736,4702094.31613157,0,0,0,0,0,0,0,0,0 RI: 2354.09,234 305 362 ,2353.7301388049,2325.8542667656,18,0,0,0,0,0,0,0,0,0,25539.2784748539,37951.2047179194,29994.3216578822,25137.0136155492,31610.8940246557,40559.711922512,24985.2504797303,27674.8884874719,33541.3281818757 RI: 2346.44,347 438 439 ,2346.4376743332,2336.7933904994,26,138186.376773709,114722.511070267,99070.0843411624,198999.247481125,170650.930568208,279494.234742362,179719.116826875,0,74553.3551964052,0,0,0,0,0,0,0,0,0 RI: 2338.76,204 387 389 ,2338.9191110667,2323.4538666374,27,58856.2917333197,67420.5918928246,58284.1520567909,102651.465596479,74953.2649369599,64230.3748536166,76673.2940831775,40474.100886122,64900.8440431792,10136.4985506583,6966.8286837551,27825.8031803791,21187.0998037098,19000.4887297687,12255.2116587275,0,0,25316.2872647786 RI: 2292.90,219 250 279 ,2292.725558717,2265.0227619092,15,0,0,0,0,0,0,0,0,0,40692.4270772041,36063.4758528954,40972.2670011401,43969.20821264,32503.569266981,36856.849963167,37153.1513499114,39840.966169279,36137.9718622697 RI: 2283.40,131 144 255 ,2283.1861810304,2255.5104482561,16,0,0,0,0,0,0,0,0,0,101172.474412221,103633.39474679,112809.037857109,107319.954387815,108202.606476096,0,86943.8900933731,101416.449970033,125650.078290351 RI: 2281.38,217 305 608 ,2282.4289404576,2275.5083049072,8,19538.9688995656,0,0,47390.7794542978,63886.4275319209,66497.7773715604,67772.1482766582,0,17111.618511848,0,2631.0821225296,0,0,0,0,0,0,6113.4914591438 RI: 2274.38,117 132 341 ,2274.3793617849,2260.1791426802,37,3039672.39177695,3414179.99402862,3065646.34621708,3541503.75488403,3410519.88137365,3517772.60717333,3272170.41841048,3097815.35759309,3299801.25769038,143736.338700837,191042.110836617,192523.396467987,164739.029900556,185375.12290271,204037.514094508,112380.150356492,166860.685122268,235318.317660421 RI: 2260.53,116 129 185 ,2261.1561757733,2254.5802454522,20,71831.8811803343,20195.9513756482,56016.2052578549,79382.4940665583,35858.0666648163,101882.023937358,0,49296.2902465924,136814.579958736,0,0,43328.8471081023,0,30799.7885189119,0,0,0,13270.8962925706 RI: 2255.11,240 376 377 ,2256.3849495994,2246.7227898095,20,115267.971981969,113096.789353809,100345.805363319,364179.453152202,127336.634450953,211089.960920618,254520.522644228,0,58201.0655428235,0,0,0,0,0,0,0,0,9781.1530288895 RI: 2248.21,103 217 439 ,2250.5253999554,2240.1790108138,16,103854.6520483,161589.744494148,121434.681959715,221986.690277683,139105.18955555,214339.364164318,140586.140809067,0,70153.0896346974,0,20362.5849554422,15505.2195475199,2721.8260553217,0,49254.9535282982,0,13128.2520417766,31987.1413581427 RI: 2231.32,218 446 447 ,2230.08727094,2208.0649783457,10,0,0,0,0,47356.929130464,0,0,0,66679.8670477085,14165.2138034883,9577.8266459573,30595.573926811,30172.3994490842,12939.0098775422,19119.5746972498,0,6986.7095128204,12350.0280656568 RI: 2229.97,217 299 418 ,2230.0271732871,2230.0271732871,7,150441.040102365,188307.136400307,0,302629.18675707,164874.010412559,322001.833762891,265845.206781573,0,102705.285434268,0,0,0,0,0,0,0,0,0 RI: 2224.48,172 366 367 ,2224.0539687578,2196.815132183,17,0,0,0,0,0,0,0,0,0,46401.6190028129,54179.3458712048,35259.699627968,34067.1870133354,40662.059846647,40567.2952553213,40609.7161233941,39189.6492201435,62127.5143748898 RI: 2216.28,437 438 439 ,2216.0081967821,2202.2630994893,32,185010.206948639,164090.48486954,156101.179197622,169994.253169131,110639.345891829,234991.566989393,227378.334774549,0,70558.638299441,11236.624312728,39318.4341775888,20220.7381255986,10415.7859739928,16172.9216358404,82904.3249550476,11007.2105204497,27669.5249424898,42219.0302452217 RI: 2211.92,249 250 279 ,2211.8863098746,2185.6273986,19,0,0,0,0,0,0,0,0,0,4081758.97404155,4141139.05018723,4025947.68869973,4057552.00494505,4085763.96744821,4184483.07598244,4009172.20959102,4135636.60050027,4156287.09303747 RI: 2207.62,355 356 429 ,2202.8596759748,2182.7502440618,23,0,0,0,0,0,0,0,0,0,65058.809674124,123049.012830914,106413.622021593,36981.1326615614,154943.556901298,70373.9077299701,0,67886.4827331143,172772.001971644 RI: 2204.22,257 347 438 ,2204.2960089541,2194.2225414179,26,76554.8868283805,75274.3899187392,67397.8434757355,131840.634988038,89523.5843160644,143574.808095072,119461.031768084,0,53831.9291237489,0,0,0,0,0,0,0,0,16772.036883944 RI: 2196.85,218 300 389 ,2196.7403192328,2193.9290229533,9,14395.4408886014,23139.7081418286,21946.3729828558,34723.5076597698,36306.9935272923,42666.853398602,16461.7996539988,0,11151.64822517,0,0,0,0,0,0,0,0,0 RI: 2195.45,217 437 438 ,2194.3213796736,2179.1403774019,20,127118.919680664,133582.547004092,128304.613511171,0,105978.65468328,412559.070445616,373705.786206643,0,0,0,50209.6472908853,26118.9227382549,17562.2164450652,20576.4294507762,121547.913899452,35886.1631080899,25238.7864981653,51721.4909238148 RI: 2190.90,192 221 222 ,2190.7386281016,2165.436934529,16,0,0,0,0,0,0,0,0,0,19526.4817221344,24784.7603545957,22858.5400749962,21026.352155858,0,0,16158.7666131335,21478.5363305905,0 RI: 2188.41,217 221 437 ,2189.8854835896,2189.8854835896,11,553340.447245638,478676.551156918,542766.096681135,743035.525566503,540080.704976479,0,590274.611091476,0,517733.079450987,0,0,0,0,0,0,0,0,0 RI: 2184.00,73 103 147 ,2183.8106864,2180.9993838456,18,455773.497606529,468566.176154553,435849.118276668,622373.73249034,431002.771173114,127940.804788556,613574.812572433,0,395588.854444364,0,0,0,0,0,0,0,0,0 RI: 2174.72,117 327 362 ,2174.745767977,2171.7690891745,17,126606.886812722,141091.558771113,151569.112519036,277531.237061659,192646.396885255,276121.601490268,205622.544855659,113610.274601227,131065.425853515,0,0,0,0,0,0,0,0,0 RI: 2164.64,103 257 438 ,2165.2119282783,2154.9037778615,27,99665.0973828827,145038.954925569,138766.773515091,213660.246821009,150683.361736838,254857.387317713,211889.327976933,0,49857.5999529568,0,0,0,0,0,24081.4645341445,0,0,7993.883976359 RI: 2157.28,257 437 439 ,2157.3137585451,2144.3209082347,37,280097.497118435,269582.530489738,253134.954572374,451286.132284247,317547.201566255,503322.192222444,405045.926294043,16923.8883291986,223321.923342617,17782.3384411889,53940.6971441285,21193.8032649561,18892.317074358,24390.5261746747,126953.850238539,19335.1668036822,33305.9177449188,50321.486643936 RI: 2147.64,216 320 335 ,2147.4704738819,2122.1685509704,19,0,0,0,0,0,0,0,0,0,23791.3850225357,25712.8047559956,30614.7680469084,23130.7995763404,16676.9444406881,37425.9257759124,21728.0675706947,29915.2725679325,38051.3905717327 RI: 2147.30,221 369 370 ,2150.6692948886,2145.1688911748,23,154608.763056001,136533.229150008,144921.287079694,266876.4203903,337749.116546245,319078.416755426,115056.483363699,105191.037884575,289086.123408675,0,0,0,0,0,0,0,0,89556.478637719 RI: 2130.33,437 438 446 ,2130.3784549161,2117.3659931979,35,170623.607059598,163534.333593087,136206.43880942,272145.796792923,142856.163571764,317942.538977982,224636.321175728,0,121057.674864979,18285.7663276808,51378.8830715554,8718.3643940661,17308.4387100263,20486.4843930085,116615.831311623,14111.0782851097,31674.7741669646,48907.0524520513 RI: 2110.15,432 438 439 ,2110.0741894068,2097.0616741142,35,59649.1875509631,66490.247841589,57208.787295847,107620.619946883,62604.0326944589,136339.53257001,99994.1860641405,0,48603.8870538051,7249.8167670883,14876.4342839713,10069.0822771963,0,6620.6419916527,32745.674191631,5882.1116181091,10201.445697006,14381.7537653129 RI: 2087.90,169 259 299 ,2088.0662684657,2079.029756799,28,83176.8723901878,79096.0081998479,82647.0675665449,150978.705042259,143323.032272498,139268.695237033,91619.0096026512,100498.831945122,123155.147123094,0,0,5168.3719928379,0,0,0,0,0,0 RI: 2080.68,156 437 438 ,2081.0493186257,2075.2988045702,22,89896.0278003217,81881.0925061197,77235.7210914103,210121.532874362,138524.089908807,174421.983543096,126818.720756397,0,84947.1562132326,0,0,0,0,0,17867.1140047347,0,0,8570.6134690005 RI: 2077.11,117 132 313 ,2077.8189646958,2070.0336466457,26,1661436.73988942,1716163.45567069,1559931.06256632,2240453.4648847,2041990.84903582,1960238.79150563,1816744.37870125,1653267.66696397,1818346.22684775,93029.2400150122,0,119463.399198129,117090.64394345,0,86562.4059559761,84679.762679315,92239.6006109547,0 RI: 2077.01,246 278 279 ,2077.0992954891,2051.7969995818,7,0,0,0,0,0,0,0,0,0,29384.2529883256,33435.9347552992,33555.8489862298,32325.0575958022,33009.2722240201,0,30654.0738924002,31194.6624996202,0 RI: 2075.75,221 355 429 ,2076.3692082536,2062.9273776366,32,316377.35023884,320972.83464776,355931.648499328,433095.735613456,345844.729384608,510926.494759975,303578.778816644,308671.168008793,511912.89053134,99226.1930250891,222701.155319849,187211.016899976,56416.3317688343,293074.144984268,107333.676787636,0,140321.217208478,238225.267472787 RI: 2043.14,257 437 438 ,2043.1424937861,2033.7712106357,27,72235.4678518467,117889.138664749,113176.40757777,153485.681215533,93603.6392395346,166510.226252063,137878.326074999,0,50394.7700528537,0,0,0,0,0,0,0,0,0 RI: 1971.14,161 162 262 ,1970.9092358529,1947.9484355079,19,0,0,0,0,0,0,0,0,0,57850.0338992275,57933.7432486621,58467.0890028808,58150.9955608604,60896.6207518435,61585.6823163777,55121.221323033,58332.0390912296,59293.0100521312 RI: 1969.36,73 147 204 ,1969.3974279476,1969.3974279476,6,178002.647893788,197339.909692161,0,0,214967.365953646,390309.622051266,304517.238133362,0,185238.827225733,0,0,0,0,0,0,0,0,0 RI: 1938.86,285 286 287 ,1938.8574487134,1915.9723390689,9,0,0,0,0,0,0,0,0,0,129339.095202688,151650.934755307,161071.044730084,127844.00589998,159642.181779045,157967.55100596,133083.830845375,132933.975582192,158437.69315713 RI: 1937.44,177 178 248 ,1937.3164273224,1914.4349568193,12,0,0,0,0,0,0,0,0,0,179937.582933764,189710.815365108,181680.800816021,183999.454590209,193672.704444388,194454.230158188,176748.646304843,179482.734617393,190505.383454887 RI: 1929.09,204 205 206 ,1929.125384856,1917.0582322111,36,52794404.3989521,62538710.4734088,64451162.1618853,61225396.9577613,54468294.2982264,59642960.4365722,60063880.6965389,61666269.0347749,58604154.2666345,28339271.1173159,60474991.2663649,37084387.7914958,30128918.6783298,38473892.7413142,71894185.6675058,39329382.5954775,39653359.5721786,57828390.4672693 RI: 1913.33,131 205 273 ,1913.3288974078,1913.3288974078,8,146543.701514401,328952.726965367,371597.522311426,283032.508058098,268841.819116073,300877.335466787,437527.128200745,0,143779.136211434,0,0,0,0,0,0,0,0,0 RI: 1907.03,73 147 361 ,1907.0005442605,1894.9245993011,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1905.76,103 217 319 ,1905.7638352048,1905.7638352048,8,204567.818457738,310294.869237049,242297.379001674,482751.59090023,326037.024399683,369284.180175587,397497.184475127,0,252450.944329121,0,0,0,0,0,0,0,0,0 RI: 1887.92,204 217 218 ,1887.9191049443,1876.2286065333,37,748171.595054799,775573.069629404,745060.985174249,1123506.9741283,1557647.59256685,1027275.16059633,893600.970763589,912706.247902539,1263859.42272591,159314.929788658,148081.469494878,376899.085194917,277815.211149672,240243.388655152,216212.275876961,98619.0168781012,131534.383675878,273670.545702173 RI: 1882.01,117 129 285 ,1882.1639054239,1882.1639054239,9,556040.442380426,514368.260439857,460023.377960699,0,654130.58732646,617476.120708685,543362.534320355,704109.793167733,393910.610391084,0,0,0,0,0,0,0,0,0 RI: 1880.17,156 200 217 ,1880.181643686,1869.5663186563,30,274275.059563328,337118.994886038,343653.07107079,431823.082089514,509737.990422509,290089.547838736,379689.204395162,343389.891350491,478616.022887911,0,0,95186.4430810095,82802.293583683,62070.781016787,0,0,36301.830972066,82559.1562294641 RI: 1864.17,227 295 387 ,1864.1425189892,1853.4974905251,32,122674.368268416,126198.696802427,110675.694735259,151114.717845303,122452.108541788,177935.493312699,111379.241172861,107393.758717776,82551.9364766939,0,0,27938.2363549049,37589.0763243317,28390.5528697916,74007.4872377815,0,0,38914.6592523465 RI: 1862.50,143 158 171 ,1861.9669386275,1841.1551232587,12,0,0,0,22402.7510088173,0,0,0,0,0,5721.2203017433,15443.6494622691,38631.3057527717,20309.9486484064,13670.0144086529,42697.3607334519,4512.9038956497,0,44998.1788221035 RI: 1847.75,191 205 217 ,1847.7452238338,1836.1034255973,37,32034743.3952867,40323346.473913,41318210.6053316,39819736.4872839,33703507.2203773,38554534.970642,37834690.9468913,38950479.6767669,38584160.3737297,13307339.5244306,32459128.7860384,17434712.4975814,14052251.9043947,18068518.542069,45657997.8924819,18932094.648333,18745282.2537972,30078345.2433537 RI: 1842.41,103 219 437 ,1842.3566346335,1842.3566346335,7,93385.5671398551,127212.255096918,0,227584.106647693,212153.533319599,209493.619511908,218765.81739553,0,54337.5197579319,0,0,0,0,0,0,0,0,0 RI: 1809.84,235 236 306 ,1809.2988934775,1788.0730879364,19,0,0,0,0,0,0,0,0,0,93973.0820983319,90346.325026419,95135.5114688168,108996.09199959,105945.042705807,133529.159815548,78889.2479026492,79844.4426520362,82017.6873102372 RI: 1804.21,161 218 219 ,1804.2054100367,1796.5384223465,28,409664.136779025,404937.364764258,557280.044012161,668754.118839436,582501.24012384,661303.633389945,496169.028493351,480801.6547027,333220.708070629,0,0,0,0,0,0,0,0,0 RI: 1800.24,191 204 218 ,1800.162744237,1791.7546191425,29,58728.9292570429,57533.2496681024,47510.6727093348,115755.341439185,111684.289891677,67718.6201579297,62359.5739954408,134793.711759233,204298.407263871,0,0,0,0,0,19887.7117558934,0,0,20623.5939848469 RI: 1797.23,117 217 319 ,1796.9105134334,1778.6834088015,10,0,0,0,0,0,0,0,0,0,545283.281547118,1838331.29840268,727685.286782798,554936.4398932,668347.686046996,0,1027315.96219085,1020374.2162598,1579694.16033369 RI: 1793.00,218 299 357 ,1793.0009229652,1782.6050550849,37,4933936.74278752,4826620.68346009,5183844.29462147,8564144.68784308,12317613.9930045,9421696.5539492,6751979.67268248,5859566.45481993,9498642.14114661,255020.52739324,421090.752997488,1107916.77345022,711487.420623368,540282.112388107,1372080.47563878,139219.849870171,184297.496920061,1542756.14705283 RI: 1771.91,220 259 260 ,1771.9112762911,1751.7123790704,9,0,0,0,0,0,0,0,0,0,130454.975938383,136017.862610566,392464.704969713,330107.267388948,171022.082439561,240493.083235155,77654.5433269875,100360.733714839,190581.49099244 RI: 1764.85,217 218 219 ,1764.7872892206,1754.6945344133,36,507119.378943502,431905.789824189,480670.60072502,994882.91889765,969448.671282141,523950.341476973,415100.922497258,932749.039889433,1237850.67391507,124322.806533611,70543.5668868173,273282.655403976,205301.410862745,165550.764151012,162416.720444029,0,88813.9486614709,321307.50926954 RI: 1759.96,133 245 246 ,1760.0181123622,1760.0181123622,10,0,131081.348091134,122339.207017094,236163.347041229,197298.404547652,218918.932228185,205379.60813749,0,104649.944750973,0,0,0,0,0,0,0,0,0 RI: 1756.36,215 221 369 ,1755.7571882897,1755.7571882897,11,183505.816616382,149859.521811153,159341.297408157,186029.784301223,333820.634232218,218103.188666514,0,112570.374534143,237829.197948748,0,0,0,0,0,0,0,0,0 RI: 1754.20,451 452 453 ,1754.2046045701,1744.7163346616,34,5171917.48822434,2440908.43709415,3112192.71494827,8468286.46549366,9927847.72602029,7701659.36691099,3876557.965407,6441814.42920991,10780249.0005525,91614.9352931683,46830.1144266316,538725.078328905,264326.806488892,343081.695046964,173541.65630067,0,79133.9002534936,587410.163760196 RI: 1748.14,191 204 205 ,1748.0583445769,1737.6957627368,35,744151.49729487,922541.376858905,862989.166299806,1400574.39446359,1053257.63116055,1273057.65862874,1131995.34355298,0,593997.994712992,73877.6726247996,142204.03036838,101277.460121299,0,93967.9292015924,244712.118778452,69137.1926093092,94545.0291695168,154006.757159112 RI: 1737.48,116 132 231 ,1737.8971066272,1731.7036488501,13,794421.842668826,206102.983529357,366947.539544483,1734506.16630537,1450669.79168344,1325042.04141565,890024.618260892,580352.037603297,1294333.45205741,0,0,99364.5811699378,54353.3378956217,27942.5855503457,0,0,0,60867.5114833439 RI: 1734.12,174 326 327 ,1734.1239340452,1722.289580854,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1732.95,129 133 220 ,1732.8162948415,1712.7003032817,8,0,0,0,0,0,0,0,0,0,10879.9641472641,23358.0351928857,1466.9492511282,7490.0755632172,13420.8732346198,19539.2077353024,14397.500721945,0,20559.3404359259 RI: 1729.42,116 130 159 ,1729.4158099811,1729.4158099811,9,465216.187552023,392753.032510917,534898.800176826,481358.827110285,494322.24551374,523274.036924475,584506.410223902,647312.918794579,458270.64069199,0,0,0,0,0,0,0,0,0 RI: 1726.94,124 213 214 ,1726.860818389,1717.1329194926,31,153023.660196572,0,98866.1514300247,169490.743035131,423470.338231691,161148.381289611,147849.458041706,0,297393.978557564,0,0,94379.6232810146,52923.1149992631,41147.5393300085,28379.4260644105,0,0,29815.5350734405 RI: 1709.69,138 149 194 ,1709.716774448,1709.716774448,17,339412.665404349,415724.685681034,373619.403020238,386597.466579988,408646.446043623,414611.735692685,408188.71739183,360691.57918295,372676.399605009,0,0,0,0,0,0,0,0,0 RI: 1701.62,124 327 342 ,1701.7767393123,1698.6917756691,13,57051.6090344333,28853.5040060892,28664.3377094136,51237.1310758036,71719.9607864861,43479.3308876749,45089.9992768931,0,65784.4962573028,0,0,0,0,0,17714.0341768587,0,0,0 RI: 1699.60,103 117 186 ,1699.9480100267,1698.6113432983,15,182869.753445868,172007.216512611,155575.033075911,266634.174678754,222722.92490976,264050.865832891,229293.812573941,0,210718.190734827,0,0,0,0,0,18564.388253144,0,0,0 RI: 1697.63,191 207 208 ,1697.3517828252,1677.3109980745,14,0,0,0,0,0,0,0,0,0,766701.199551472,831234.555721369,714769.164827574,712676.570575279,740860.108570112,726126.687286803,779012.319221334,784716.784734988,712611.435548013 RI: 1695.79,288 289 290 ,1695.7897258316,1683.266090044,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1688.90,221 355 429 ,1688.9002141094,1678.6168767585,37,547489.649709595,491076.927015053,583832.528097288,712524.463155808,595217.346103594,864499.746656214,479855.707431238,631265.685645799,911180.032335615,200587.207363978,331705.906608028,299942.610633161,106350.591888737,462529.32775154,153504.470552402,88756.8571313111,203725.247304502,375973.555687646 RI: 1679.51,200 315 316 ,1678.8978314918,1666.230539866,30,365303.513985899,160288.124635425,245265.009265741,424056.784501536,368241.163968738,367670.750599176,266294.438096454,333083.671506953,418844.971274824,59096.2353502373,82119.6883710707,150593.796740956,111662.68765097,92268.5605033361,165565.826225901,43609.2615169992,38431.1085065372,158308.022445697 RI: 1666.57,73 155 304 ,1666.6416996455,1666.6416996455,10,2962684.64722833,0,1549700.6480114,5625804.63219514,4652713.29548914,4713547.10282416,3062094.07820944,2782136.89859813,6037851.03118501,0,0,0,0,0,0,0,0,0 RI: 1662.42,129 191 247 ,1662.2283923012,1654.2408056514,25,470681.241093517,558756.500232742,549156.766672822,777803.73981695,669051.156403448,787244.752846772,728960.116503366,0,411883.419676475,28068.326136604,79482.3529868732,34052.575963447,0,41419.1779643634,121283.120788782,41926.695380261,46953.6591696337,73312.3985289473 RI: 1633.75,129 148 245 ,1633.4643087421,1627.9341680331,18,144296.030635868,163441.261347188,156552.786123598,228769.906504149,217810.659604577,245460.020019361,204057.74827095,0,137863.693701768,0,24155.1817210126,0,0,22680.4163689243,37079.5948821215,0,19517.6991522167,27107.5116640915 RI: 1621.70,205 206 220 ,1621.6987282698,1601.8183750184,9,0,0,0,0,0,0,0,0,0,935151.424169891,896249.686137671,1412633.96197648,1046064.73008739,998810.180882288,1081155.03668413,760088.604000748,1050294.95057534,1063624.17526815 RI: 1616.17,115 128 243 ,1616.0450371884,1596.6652013734,7,0,0,0,0,0,0,0,0,0,60240.649742509,61470.0090151104,173480.633825106,115519.985738315,0,110800.968582535,0,0,134083.009752379 RI: 1615.26,129 148 204 ,1615.3772225357,1612.0656851988,18,142209.563082193,172406.777184173,196452.930457635,260729.562207762,212279.118842629,271044.187741128,236631.237648185,0,120408.028193738,0,0,0,0,0,57119.7538307656,0,0,0 RI: 1605.97,115 143 329 ,1606.2611191648,1597.4239334033,28,71681.1144011452,73214.1774242233,73452.5576579992,0,104602.403649447,0,84539.8282606841,0,66875.9354283149,0,0,43638.8282035503,19931.5977343905,0,0,0,0,30723.8371844722 RI: 1586.31,223 224 225 ,1586.314698094,1577.9629026312,29,114266.026200317,140972.448013981,124869.260989657,126075.937326551,131505.067956715,0,143028.392401346,111089.612563512,120200.816663548,0,0,50706.5853531878,42912.7243211555,0,57451.0319076473,0,51743.5766092942,49070.491772507 RI: 1583.47,263 264 278 ,1583.503097394,1571.3288969569,27,0,0,0,127349.047886387,0,0,0,0,114056.490517151,74280.086781361,73674.2558165898,84937.1981047824,76382.3048888823,78745.7506131304,83319.355740991,71863.3488108847,77778.5916324012,81418.0516318323 RI: 1570.99,117 159 173 ,1570.9866111431,1570.9866111431,18,444636.974186004,459319.012354081,455233.189416905,527536.17891956,543366.317942358,546473.512011049,486388.699700525,472930.12299321,486880.680980107,0,0,0,0,0,0,0,0,0 RI: 1569.30,149 155 156 ,1569.2525270879,1560.1217952726,36,547529.219623142,0,305060.252278575,614808.856561299,490379.030862605,392498.242055663,378607.184979004,323357.199501028,752389.780051894,736458.78168426,606048.95514445,1602687.55132714,1093747.55031962,749948.705485545,1001116.40942326,482728.967781846,402193.150206507,948570.164602833 RI: 1566.25,103 117 118 ,1565.8368148251,1548.5364387835,13,0,0,0,0,0,0,0,0,0,94188.686877932,108075.093150656,111288.512706885,107537.110860251,116256.065142545,112404.788914531,95479.2783934509,99751.1496216536,122521.976411534 RI: 1565.14,133 195 211 ,1565.0716281904,1560.1286605203,21,190695.160601659,139152.436508771,137660.81792331,331879.222022147,296136.666839217,257834.325635785,261182.019554594,170154.746921161,246986.108803826,0,0,0,0,0,0,0,0,0 RI: 1541.97,101 158 159 ,1542.3553945101,1539.2098271973,11,845133.695626063,1164639.98628149,814384.930948768,1488448.01494435,1836790.05707615,1750238.50130688,1205205.94049017,533882.796055972,1738042.29579361,0,0,0,0,0,36278.324352943,0,0,43329.9352546395 RI: 1539.43,221 327 341 ,1538.8071236312,1531.8868605721,25,64812.767442872,65869.0962637561,64373.3356336629,60542.4498815733,0,71933.8433857217,55219.6510906739,95712.8469528874,67804.5155143702,0,28632.8795538925,18583.4593523695,0,16300.4624242203,12909.1389545,0,16299.5321446461,13022.1331612127 RI: 1538.35,115 128 243 ,1538.3033063383,1521.0026213981,14,0,0,0,0,0,0,0,0,0,184907.43578416,232283.742926946,417255.090520076,266227.696720971,228645.81303621,487963.779849801,115457.037242334,128773.985046841,378767.767235197 RI: 1535.45,140 230 231 ,1535.0239199939,1523.2841469244,28,9341788.80556514,3830796.87779066,5522061.75862043,11002372.1923647,8882947.89660348,9450701.10610353,8313670.38539634,5526216.16959065,9557611.58575875,974500.919377796,920775.511011382,2781357.10938504,1857604.39950497,1082251.54355541,1808114.52218529,588869.155185204,591009.944982462,1845243.85887368 RI: 1500.79,128 171 172 ,1500.4222581356,1484.851261977,10,0,0,0,0,0,0,0,0,0,20279.2195846299,111129.092219551,42777.2966560259,0,38058.9610151103,125798.869179874,28275.3496343979,0,58473.2990960725 RI: 1495.83,108 121 136 ,1495.8005688913,1478.4994071125,9,0,0,0,0,0,0,0,0,0,22340.6427895652,33306.5731805118,0,19237.7105671506,24469.1682351819,20875.1516550814,32981.9973124489,11857.1148733649,0 RI: 1472.04,149 179 180 ,1472.0476641493,1463.3969496827,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1470.82,142 202 215 ,1470.8211330714,1453.5196910482,9,0,0,0,0,0,0,0,0,0,11432.3434036236,11307.5437615648,20813.8305007873,15383.2911483387,11567.7253539878,16849.784383667,13171.5683688076,8916.5263941252,14494.1193859135 RI: 1470.17,130 141 228 ,1470.1629233364,1470.1629233364,9,59397.1999274647,25247.0518711577,27745.4752401901,77885.1472815292,67725.6686802567,63235.7959887379,54693.0523392699,46975.6238770043,65317.4406803775,0,0,0,0,0,0,0,0,0 RI: 1453.72,154 253 270 ,1453.6796470141,1448.6333344701,24,31116.8573705187,0,30532.23502277,57623.7202867733,64004.2838175742,55280.0723245291,44975.2160124841,21236.3454408626,40167.9298699216,0,0,0,0,0,0,0,0,0 RI: 1432.44,174 248 290 ,1432.440506231,1423.5557609106,37,1447824.89460467,839498.86991866,936960.174043999,2444312.42996095,2162626.52544898,1978956.87908465,1771980.21325205,836616.740780174,1303911.86032992,59759.9744068757,44588.8906628823,240127.038483131,216680.97207959,121429.228584671,72034.8086528091,32680.5159030145,84888.4944743192,205067.684618059 RI: 1400.55,73 75 215 ,1400.2931308358,1390.2226667537,10,0,0,0,126817.955406804,98340.1101076984,0,0,0,142853.027615841,0,45358.3652724991,0,0,47018.2484165092,35861.3514235403,0,36637.9066789725,41665.0371992007 RI: 1396.62,103 144 234 ,1398.2046212919,1393.6001269093,19,289478.760286833,363936.913810934,315225.67999943,373686.748321302,0,381527.594025888,308577.706528775,341960.251517906,0,0,0,0,0,0,0,0,0,0 RI: 1378.69,174 175 227 ,1378.6854628168,1370.5390069694,32,17036.7515281223,22242.1759701168,22132.1581453234,26832.7466626154,0,16447.7478381463,19707.2619053114,24748.2055718879,20586.7126261552,13749.5249814958,17080.6699263822,14198.8986918711,13334.6361991543,14864.6572240613,15184.2177602397,15001.7189993439,14240.1627352383,15319.4282500137 RI: 1373.87,113 114 201 ,1373.8687294888,1373.8687294888,9,897877.908679447,942672.551568738,873978.092442377,1719785.73622211,1790148.61449224,1225135.9456812,1372973.90205059,1082540.43486424,1222678.55583197,0,0,0,0,0,0,0,0,0 RI: 1366.80,115 127 145 ,1366.8522101392,1366.8522101392,18,2144163.394866,2350461.36418629,2188660.87154098,2281420.06159676,2319426.73035628,2250952.45770785,2227929.6877746,2234774.58672651,2291710.77634763,0,0,0,0,0,0,0,0,0 RI: 1362.24,188 262 290 ,1362.2697084039,1353.1233738733,16,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1350.06,105 135 179 ,1350.1441617449,1341.718603742,28,205207.010787371,0,0,210895.817086854,0,0,0,0,179851.490968399,83820.5628065705,0,87120.7187331519,0,95490.3087163022,74517.0874086085,102048.639662552,0,84267.4241193818 RI: 1346.30,221 222 267 ,1341.8182902999,1330.717019272,16,0,89017.5637922365,97703.3071319911,0,0,0,0,0,0,65519.6956130632,71837.8152150579,70838.4555492752,57673.5207365675,73176.6215947066,58054.8253136027,51544.6667910362,59774.4733179088,72058.0439802517 RI: 1343.29,148 171 189 ,1343.2760378874,1336.2257570621,21,0,0,0,92078.9896728543,0,0,0,0,10840.3059174887,0,0,0,0,0,0,0,0,0 RI: 1332.41,299 300 314 ,1332.4103958187,1324.7559384545,37,70860462.9105624,73827758.5522519,72956319.3594266,83396776.0303544,75998706.7843727,80410803.11867,76149907.3582173,66919470.7331979,72599627.4221493,9174413.55036756,18937147.7645993,14412116.0952256,10902449.3678025,16402634.6270295,31437184.6161359,10557511.196426,13709436.6954546,19503999.1419468 RI: 1322.23,110 241 336 ,1322.2253936334,1314.5236953594,37,458476.652264903,332352.900234647,395354.741472134,867548.261879262,948711.850794285,658462.873218058,450530.872907782,463749.58424314,1064159.10274739,39732.4764122984,23365.2375498758,72928.5519354853,64832.1709359359,63834.6174601878,36215.5651690218,16086.8555862845,37973.9810665371,84786.061149238 RI: 1311.74,110 241 336 ,1311.7443511657,1303.9939106168,37,4801768.74343318,2953826.79238771,3594453.54933865,8155751.59231059,10033324.2990354,5515469.11442895,3939056.21997484,3091486.95520141,11785547.3202903,490766.961799065,260178.434579228,1144010.23451177,791639.51094451,907876.672199992,341127.286163782,214629.05056791,420097.625376336,962710.265578892 RI: 1303.03,198 211 212 ,1302.3999623625,1287.2187487879,14,0,0,0,0,0,0,0,0,0,93703.538894745,47830.0586646903,96929.4499725367,38226.9516754818,82764.5200000737,0,50313.2274604902,55296.9227034595,0 RI: 1278.50,227 253 254 ,1278.5554746298,1275.475922527,10,34885.1032339001,49949.2617259642,45848.5121594911,74131.1720355132,0,75043.4237032624,59378.1425987386,56072.6668970903,72685.8879927738,0,0,7297.0093367544,0,0,0,0,0,8095.8814550183 RI: 1275.16,138 143 213 ,1275.1235152097,1268.6925022988,12,0,2036238.44236574,933174.204415352,1923852.05139146,2557668.72149565,1637453.36479693,2462552.25369073,0,56615.7779679667,48794.0754077709,55624.6443083079,56678.9801034405,66304.4001236355,58715.9662045502,0,0,0,0 RI: 1264.31,110 184 228 ,1263.79323076,1251.9872259569,25,0,0,0,47922.0501108354,0,0,0,0,45918.6620743042,61742.3621410126,64896.2624582489,65389.0060479357,65042.8807006503,63368.2216806123,65639.5396827893,65884.6920944899,72499.6138971025,73795.3554839232 RI: 1234.30,102 176 177 ,1234.3002815989,1225.0023203302,17,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1224.43,139 154 169 ,1224.4465685894,1224.4465685894,18,433362.247590521,504427.365122073,469064.279623161,469975.82004435,490912.312041325,474042.230915546,462428.001459336,465191.282011777,466994.284856803,0,0,0,0,0,0,0,0,0 RI: 1217.84,97 109 124 ,1217.8594700888,1201.9030039042,18,0,0,0,0,0,0,0,0,0,160416.879783933,163789.569634338,158839.289803541,159219.778145722,162612.186461697,158195.228442692,163759.657848558,158545.795829842,159752.517439559 RI: 1214.24,83 97 169 ,1214.1509617242,1214.1509617242,18,690403.137599875,798885.328971589,738737.225578699,757060.413618489,775097.158582888,757033.503636482,746552.216743577,755507.589898682,760125.925992533,0,0,0,0,0,0,0,0,0 RI: 1202.49,130 144 188 ,1202.3262957471,1187.1324492594,19,0,0,0,0,0,0,0,0,0,60031.4517312259,69397.350689443,78389.4058470683,68822.3345235596,73927.363263481,69695.0825103411,66862.8710669754,62229.2028173421,64490.2003763797 RI: 1194.44,73 148 233 ,1194.4636052857,1186.945396086,20,0,0,0,245923.723188074,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1173.52,73 127 170 ,1173.3641792998,1173.3641792998,9,101195.89233624,123393.116461113,112712.861658244,123926.690698763,0,0,0,142328.40646842,120630.783889798,0,0,0,0,0,0,0,0,0 RI: 1160.05,102 103 204 ,1159.1303487951,1149.8903150724,22,0,86746.9121863577,0,0,243004.52975102,184911.510756155,0,48213.0240644772,201878.391870872,1846.7569292347,5371.3265863313,48042.9036415593,0,0,0,1063.627302921,0,9044.8237971416 RI: 1120.16,73 75 229 ,1120.2279395831,1105.5089657052,8,0,0,0,0,0,0,0,0,0,114816.462386358,228241.85418845,190459.672294953,139389.267948122,262765.48905405,0,153008.535707776,97783.1267433901,307838.901218397 RI: 1114.97,152 153 166 ,1114.925724358,1106.9496228924,35,529413.614136031,707419.619877367,464659.101217758,625944.246926741,0,0,705733.121525918,697803.468697563,652434.42217086,447838.667888376,467520.83318417,476675.887189191,518184.942969125,464006.655923666,515369.83369946,477093.503056812,449872.705100129,527987.896015493 RI: 1062.12,73 89 146 ,1062.1013774906,1047.6315549368,7,0,0,0,0,0,0,0,0,0,66528.9748228718,63119.1596284971,0,68857.4686140408,73490.6468097431,53981.5787329387,62035.7041442925,70351.1252707178,0 RI: 1045.29,134 184 214 ,1045.2853373412,1037.8937207803,37,902678.9084058,1137379.1890967,872291.45720075,1143902.70021884,1057118.33645274,914915.897670893,983268.742272206,1017629.22258072,899331.595131586,685530.073295004,673679.865224179,654674.051900696,664781.070341633,736291.987073331,596052.697278391,698298.780957243,698982.354063044,662845.217748882 RI: 1029.85,103 128 146 ,1029.8527673447,1022.3463580847,21,0,0,0,169214.781375383,0,0,0,0,0,0,0,42610.3781698253,0,0,0,0,0,0 RI: 1015.88,207 208 295 ,1015.7565180822,1008.4265649733,37,517932.314839562,234410.586109154,404459.037295585,216981.529583419,528002.799377925,370980.364940765,774858.188519867,475448.9114401,343711.627552444,717713.49744935,852963.376597708,671279.077275117,628153.108261659,696112.98011879,624742.730789224,717309.760642685,707102.934233374,680523.770989763 RI: 1013.40,163 164 178 ,1013.462077961,1012.0355659666,20,4593745.65985772,3125374.71923144,3966456.44047109,7170778.30591354,4945537.97878464,7101305.83930387,4530440.11614532,4317776.18813477,5270306.58794813,0,0,0,0,0,0,0,0,0 RI: 1010.26,193 282 283 ,1008.0295715267,999.4811267444,25,27663.1597470764,0,24611.1274596615,27226.293681034,0,0,0,0,26530.1092117121,35114.2429342639,43347.7581930579,33441.1787189998,32601.5678060493,33348.1841747398,33058.5353967261,35611.3951045152,32250.7473964515,31659.7952719322 RI: 1009.38,163 164 178 ,1009.6308394671,1008.6128677801,14,0,635009.252585401,0,486474.042479226,968430.170166982,945298.628236181,1037432.93418596,342622.922732325,290394.488517145,0,0,0,0,0,0,0,0,0 RI: 1007.80,171 172 173 ,1007.8009443841,1000.4883435086,37,14522020.9979681,14444271.7544405,16211790.1075897,19797327.3873906,17813761.5283945,21938738.3366827,17355293.6540108,18401159.8283676,16389417.5194832,3738281.03031582,5154335.63778347,5659120.51739578,4563007.13323404,4421801.51898269,8023791.3419823,3231132.95308975,3735492.28597021,6383336.53600925 RI: 1001.37,151 204 258 ,1001.2801573457,989.5411673393,23,0,1565307.01420432,0,0,0,0,0,0,0,913387.633874925,866776.876351059,1265108.88385228,1065926.22187508,1066282.40797115,1282940.00700066,787406.50796329,974199.135067748,1264215.88148519 RI: 2492.45,217 348 439 ,2492.4450618527,2477.1900945148,34,1773865.75236541,1712233.47731689,1621488.07858679,2491197.82190459,2316018.00829478,2920011.04524968,2262958.89179051,0,1380221.9075165,36504.0381029821,109062.347841684,120659.962207726,51629.1343433202,70681.4465648704,405271.194085401,0,97455.2155777316,283132.095491736 RI: 1991.58,117 217 361 ,1991.4613021383,1991.4613021383,10,55062.3333587124,116403.836551647,101929.297117588,128965.282070523,148614.213525327,165428.127843763,168801.673901977,0,36512.6971251618,0,0,0,0,0,0,0,0,0 RI: 1816.81,205 217 319 ,1816.8147232748,1804.9216108225,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 RI: 1776.59,129 204 217 ,1776.5767073236,1768.8039801351,26,0,77149.7973178267,58661.6997084836,107735.729801934,58719.108391514,76367.7426685555,81388.0194946445,0,51871.2392789896,0,0,0,0,0,0,0,0,0 Myo-inositol_6TMS,217 305 318 ,1983.1735061291,1971.3658856938,37,6848152.16298621,6274952.75489539,6240664.33724473,9810570.00893347,8079334.16757593,9056246.71071579,7617017.59215781,6801289.00882804,6277915.78843098,699617.413551241,1392138.1088188,1231584.17810051,825158.962287504,912123.838739767,2275570.35372853,800294.129775638,850876.430942522,1566367.4583707 Muco-inositol_6TMS,133 217 260 ,1787.9987972091,1774.2690707791,28,277745.03494346,134359.692735327,71654.0896063882,111264.874625016,696107.720291448,377609.253180849,351746.849702812,492409.127397507,508458.619283799,130899.060414627,169716.110178628,357335.795475388,261951.769866152,231175.063962587,198265.156063191,308682.027800893,81063.9587879203,131505.916132906 Methionine_2TMS,128 176 177 ,1578.4561674188,1569.572263461,37,420133.156343964,100806.82530976,298485.13868582,637163.053032014,551322.821596525,427250.871010703,433992.118965581,249978.698942389,767395.317670707,158167.702905933,142618.841810885,521344.08008465,326816.239375612,181795.049346544,245777.615792918,98419.319117617,85672.4739426396,288927.885840117 Mannose_1MEOX_5TMS_MP,160 205 319 ,1833.478443392,1824.4239191697,25,12274287.1426459,28244456.0430335,26818919.5797745,20138945.172842,0,20787345.2649486,39562140.2054128,0,0,0,0,0,0,0,55571.9828023639,0,0,0 Mannose_1MEOX_5TMS_BP,160 205 319 ,1852.9994282959,1841.0275005161,36,2078496.25338561,5239571.26275995,4919115.24190071,3537883.35814052,5227763.8382457,3605294.65413346,8753739.30612755,0,1286523.18187834,177313.240056078,442792.156258543,213339.523870967,161559.584354709,267405.384556268,628888.518924897,247770.727314077,386787.433540822,345522.356488432 Malic_acid_3TMS,148 233 245 ,1522.0041528311,1513.3537219851,36,1534393.75377782,1241931.58028895,1335251.78862059,2221055.25761261,1664988.46285774,2239895.25040317,1801871.61334507,944138.894424932,981556.469482126,66280.4980201425,92141.2374770396,0,136226.217307523,129334.121773296,208377.064253698,52723.0914375075,88983.1015885667,215618.445940222 Leucine_2TMS,158 159 160 ,1287.9375856732,1280.0745635362,37,3018865.50391835,1164190.14223189,1993538.73853188,3655118.18931593,4472690.18787043,2853857.85707504,3120719.23570971,3411875.34511322,5290021.7085065,1177140.88356639,1065824.22567888,2678580.01079752,1780458.61996152,1303540.98362199,1703009.61610935,852998.793337364,815719.203334338,1526926.80690685 Lactic_acid_2TMS,117 190 191 ,1093.8703872714,1086.3724635686,37,19537902.8514739,18220059.0860242,19253683.0770199,29682992.2117248,22459685.8862208,24871903.1068394,21296901.0721363,15012352.5652155,16146934.7158725,1669226.30993645,2535339.8705269,8957611.33073973,3196723.23885226,2834245.2247541,4001619.72514056,2703373.46241938,2795728.25830859,3825563.39028126 JP_Unknown_2263_354(Octadecenoic_acid?),129 339 340 ,2263.9419828744,2263.9419828744,18,242107.600439613,276616.345026529,247176.092858011,282263.227665392,275810.530786467,306091.453076427,302711.25411483,257621.850565205,265703.867168416,0,0,0,0,0,0,0,0,0 Itaconic_acid_2TMS,215 230 259 ,1417.2044554253,1413.3595568969,9,0,36019.1916509028,36016.4783584615,33555.7361696217,27506.5203124967,43594.8086224244,31450.9262541965,0,8119.7287468589,0,0,0,0,0,0,0,0,0 Isoleucine_2TMS,158 159 218 ,1309.3427835343,1301.5804763454,37,3758050.82399862,1367286.60294818,2703397.12370141,4966104.06176238,5171995.64584964,3999772.21462779,3763218.51196348,3997593.37888355,6410524.8745403,1478274.91807332,1396014.60300655,3269908.46499484,2188336.86207809,1586240.28144436,2070152.65649308,1086086.37162525,998382.217330602,1953711.23271967 Isoleucine_1TMS,130 170 188 ,1251.231426457,1247.61846318,13,0,102359.142296979,0,155245.730563714,168922.337722969,108882.813430631,83502.6502193468,161790.174047676,162940.37930188,0,0,0,0,0,0,0,0,0 Glycine_3TMS,174 175 248 ,1317.932079608,1310.2093527841,37,5419620.4399615,2989990.20073298,3395468.36195763,7192303.26856794,7215444.57192262,5612546.44844906,5112672.44290969,3539519.93008136,6923576.54529842,431259.04350043,376398.225122521,1095896.62877369,824441.330224471,551322.037959284,644542.706801792,358718.354851841,368668.292497448,808017.261827272 Glycerol_3TMS,103 117 205 ,1269.8795074746,1261.9325941713,37,247200.713090867,233674.617220876,246019.116051745,371135.208835392,221964.722945034,289097.61373744,202071.934137843,259269.725415583,259732.177011907,366602.806868211,361384.357104329,391106.863545716,371192.694352504,421831.679816274,335057.825591558,374250.314653634,362993.319497167,401564.012084425 Glutamic_acid_3TMS,128 246 247 ,1651.0893981754,1640.8478634978,37,25241189.6309002,11791500.013936,14803534.8683682,32259454.4906316,41130385.9067719,27809343.6236098,23169470.7812153,22731392.652314,38431652.6377952,2624070.76168117,1789588.89396542,8496022.70579006,6252711.19618453,3263010.70841489,3810875.10818404,1145932.84689927,1135278.75617936,5523680.8910762 Glutamic_acid_2TMS,158 174 186 ,1621.6324212531,1614.2692952644,27,1773202.85089597,0,1576693.08753686,2309084.67096323,2822892.21477133,2315981.91520858,2058511.6351326,2406110.44297715,2468714.0352956,0,0,0,0,0,0,0,0,0 Gluconic_acid_6-phosphate_7TMS,357 387 388 ,2374.0228322455,2359.2774895054,36,106222.584568837,131951.101284166,129804.270165412,203814.749383923,139785.769318443,145189.389564568,101462.451917519,130361.055281073,160324.395345084,22868.8297620417,17574.3130917383,53531.1573383299,38710.8666181412,23931.4073609828,100024.604363648,11111.8912890226,16548.2519918652,42529.8559621544 Gamma-Aminobutyric_acid_3TMS,111 175 304 ,1539.4845223859,1534.2190996065,23,79653.5571422033,19112.1510472046,19146.7390234076,104201.597165202,34967.7813935881,31575.3851231506,31594.008515738,0,52619.0666024484,0,0,0,0,0,0,0,0,0 Galactose_1MEOX_5TMS_MP,205 319 320 ,1831.7731606861,1817.9005671737,31,0,0,0,0,26662831.7256727,0,0,159719.351155991,6660759.06101492,987634.258901708,2337576.85820184,1283574.61610289,977521.262148939,1511929.62064042,2983812.0551943,1297637.44882702,2000930.89258643,1888909.36853651 Fumaric_acid_2TMS,149 245 246 ,1390.1965993071,1385.4049859921,27,546413.786994499,420542.116630645,461918.690484545,845284.651081464,668346.144004313,751033.547228169,604199.073874138,286287.755510798,379953.256039077,0,0,0,0,0,0,0,0,0 Fructose_5TMS_MP,217 218 437 ,1752.7485955485,1742.2659981085,25,0,461806.558104899,425309.3370396,0,0,0,447803.399156999,0,0,0,101209.919446683,0,0,0,189251.830609536,82577.5179496714,132869.682964469,0 Fructose_5TMS_BP2,204 217 437 ,1744.0878916388,1734.017495936,36,107068.73460436,124960.833675945,116139.537220635,164612.273654874,137874.74306246,222225.081633716,151090.317140589,210153.450010361,140092.804186438,35602.4790257837,33256.5649100843,115633.361032012,75936.1795535154,38267.9567740807,62810.5235468403,0,36263.2621178628,67095.5679882496 Fructose_5TMS_BP,217 292 437 ,1739.9221220336,1729.5839094776,37,162094.795025707,416774.995668633,253958.690576227,412907.822520353,290040.096587469,381161.503632615,322014.077255643,117888.520941752,244102.750019364,52868.0487349035,68323.4309783419,120962.188363131,100893.678456612,56564.8007107687,109034.60670377,42237.511193537,67605.2505213659,133110.588349259 Fructose_(unknown_derivative),103 306 307 ,1822.6689763878,1808.8103547492,31,103645.451305766,201000.173640686,208405.636915661,0,131490.992906982,0,169494.134045103,164649.758859817,120567.667319768,55094.4955522757,167551.648053312,82335.8025157851,65085.1069977751,87282.3185708385,265452.891481439,85476.1991464231,87105.8857057015,154179.146745461 Erythronic_acid_4TMS,117 217 293 ,1529.9515570044,1522.3824726749,32,115167.558526894,81231.9142483251,86344.6978894116,209459.298798497,115265.139134731,174512.065809978,138362.218866258,76834.2747662084,73934.2194774384,0,0,14862.2709110745,15421.2088502282,8473.4743507465,0,0,0,16549.8383945516 Diacetone_acohol_1TMS_(NIST),73 115 221 ,1106.6372028006,1099.3092512954,36,8709796.08516277,4353215.11945203,7482759.37845781,11425172.5058302,13116149.5669579,9260945.89039256,9384154.03587274,2447416.87243632,12396025.768335,1460376.98193627,1248285.52805935,2168378.34731833,1692081.51035025,1865797.09949236,1265358.01312557,1333372.92075624,0,1593934.69095514 DW_Unknown_2702,291 417 418 ,2618.372800334,2602.6205423545,19,138586.581261929,124906.832825533,122160.07050308,231241.076173688,239964.289744143,285844.128197636,199573.376806947,0,94877.6438771914,7198.6031911693,0,0,0,6389.531001371,26409.9318124872,0,6093.620191253,10472.3087930699 DW_Unknown_1958,217 218 361 ,1957.8322325884,1957.8322325884,8,107291.054022839,186336.802203541,169854.816834903,184117.144240876,215817.678728464,226323.541918379,296073.281663857,0,90253.8358537807,0,0,0,0,0,0,0,0,0 DW_GluGlnCompl_2495,103 217 287 ,2499.9814633888,2484.22535812,31,2342817.58295224,2112283.73475182,2074202.85037127,3069710.62911823,2597222.98755018,3768458.85976441,2929683.59184406,0,1605067.18663849,152772.293417376,432131.504853577,246427.055442113,139038.779074431,221778.442711083,567984.499038723,177930.206531823,252513.514293388,449289.266179604 Cytosine_2TMS,240 254 255 ,1658.8853942769,1648.6206057935,35,288591.748783565,433488.004487637,397618.632833012,500078.571998157,627073.828991671,602929.756140595,522873.236239832,385657.201819085,772407.791363096,38017.5013065777,0,60245.9581819936,51664.6485083273,40296.6915744335,65567.8924308697,28773.1035679964,39940.4441527751,44227.3073519197 Cholesterol_1TMS,105 119 329 ,3268.3329948482,3252.2255055714,30,314465.853534575,258747.301617066,121398.350864298,591680.637927155,486364.48801364,236241.061509292,460922.434573677,298140.01782537,272474.040968919,25557.5472915666,11840.0545177423,72003.1999764449,42815.5570038873,20605.9630642546,0,0,8797.5239560034,36241.2626750538 Aspartic_acid_3TMS,218 232 233 ,1552.0198233705,1543.1357710625,37,8757108.4999764,2331630.76666596,5080318.6897967,10669135.855672,10916956.9424459,9508056.84380319,8474902.05818927,7574948.84381171,9631335.00858815,306139.941773624,391669.94426046,777132.986134854,689196.883825862,427798.888349304,533685.827778416,255086.477396371,323006.244786668,868570.578721082 Aspartic_acid_2TMS,127 172 235 ,1508.8794714129,1506.2843214561,19,8808.418287274,26015.2113644648,13435.8102007327,22009.5918255547,35534.2654981417,29437.8660448838,21222.6399583613,21993.2429829496,23008.257329392,0,0,0,0,0,0,0,0,0 Allo-inositol_6TMS,305 318 319 ,1773.2376795247,1762.6052580133,19,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0 Alanine_2TMS,116 117 218 ,1126.517597583,1120.9258886458,29,1464826.28133595,917125.06533687,1112332.29649777,2399350.67201394,2092191.78384278,1723896.48750195,1647591.60600868,903479.294606276,1732412.08894834,0,0,313805.838853684,0,0,0,0,0,0 Adenine_2TMS,204 205 206 ,2028.1919083251,2015.5406318214,36,4439.1494164733,5747.1935699518,6768.7650298584,11178.9986810949,9398.468889097,11916.0058828633,8781.4999197193,7720.993605364,10641.6597003333,2090.3542035019,1421.6731962983,6823.2307224552,973.3507575731,6128.5961575019,1332.1462119839,1118.9393830913,4104.1126140749,1998.3820497747 2-Hydroxyglutaric_acid_3TMS,129 203 247 ,1609.6699353546,1594.0023506579,18,0,0,0,54014.074640138,0,0,35767.9263057546,0,0,29607.3197557565,20641.0851917574,79901.4850161183,73289.9659259472,38112.7786291957,62213.6541518551,0,18759.0975072479,0 ,,,,,399579500.327702,374061112.442691,397033056.30472,482775166.300467,511812073.608586,485427351.188803,465547688.881832,369050237.644058,433880354.064998,94361345.3159397,161145036.406451,157048321.76584,118713166.793873,125180770.28698,216940161.139627,106278737.345858,110254355.578238,179289932.494972