#METABOLOMICS WORKBENCH araskind_20170802_132535 DATATRACK_ID:1181 STUDY_ID:ST000832 ANALYSIS_ID:AN001840 PROJECT_ID:PR000593 VERSION 1 CREATED_ON January 16, 2019, 8:47 am #PROJECT PR:PROJECT_TITLE Regulatory roles of glycolysis and its enzymes in photoreceptor survival PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY The goals specific to this proposal are to understand how the metabolic flux PR:PROJECT_SUMMARY through glycolysis and its associated pathways, such as oxidative PR:PROJECT_SUMMARY phosphorylation and pentose phosphate pathway, is regulated during periods of PR:PROJECT_SUMMARY photoreceptor stress. PR:INSTITUTE University of Michigan PR:DEPARTMENT Ophthamology and Visual Sciences PR:LABORATORY Besirli Lab PR:LAST_NAME Besirli PR:FIRST_NAME Cagri PR:ADDRESS Ann Arbor, MI PR:EMAIL cbesirli@umich.edu PR:PHONE 734-615-6099 #STUDY ST:STUDY_TITLE Rat Retinal Detachment Metabolomics Timecourse ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY Detachments were created in adult male Brown-Norway rats (300?400 g; Charles ST:STUDY_SUMMARY River Laboratories, Wilmington, MA). Briefly, rodents were anesthetized with a ST:STUDY_SUMMARY 50:50 mix of ketamine/xylazine, and pupils were dilated with topical ST:STUDY_SUMMARY phenylephrine (2.5%) and tropicamide (1%). A 20-gauge microvitreoretinal blade ST:STUDY_SUMMARY was used to create a sclerotomy 2 mm posterior to the limbus, carefully avoiding ST:STUDY_SUMMARY lens damage. A subretinal injector (Glaser, 32-gauge tip; BD Ophthalmic Systems, ST:STUDY_SUMMARY Franklin Lakes, NJ) was introduced through the sclerotomy into the vitreous ST:STUDY_SUMMARY cavity and then through a peripheral retinotomy into the subretinal space. ST:STUDY_SUMMARY Sodium hyaluronate (10 mg/mL, Healon O.D Abbott Medical Optics, Uppsala, ST:STUDY_SUMMARY Sweden) was slowly injected to detach the neurosensory retina from the ST:STUDY_SUMMARY underlying RPE. In all experiments, approximately one third to one half of the ST:STUDY_SUMMARY neurosensory retina was detached. Detachments were created in the left eye. The ST:STUDY_SUMMARY right eye served as the control, with all the steps of the procedure performed ST:STUDY_SUMMARY except for introduction of the subretinal injector and injection of the sodium ST:STUDY_SUMMARY hyaluronate. At varying intervals after creation of the detachment, the animals ST:STUDY_SUMMARY were euthanatized, and the eyes were enucleated.The retina was then dissected ST:STUDY_SUMMARY away from the retinal pigment epithelium taking just the detached portion in ST:STUDY_SUMMARY those eyes experimentally detached. All experiments were performed in accordance ST:STUDY_SUMMARY with the ARVO Statement for the Use of Animals in Ophthalmic and Vision Research ST:STUDY_SUMMARY and the guidelines established by the University Committee on Use and Care of ST:STUDY_SUMMARY Animals of the University of Michigan. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 30 ST:TOTAL_SUBJECTS 21 #SUBJECT SU:SUBJECT_TYPE RAT SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10114 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0014158 S00021535 Attachment:Detached | Time:5 min Rat #=10.0 SUBJECT_SAMPLE_FACTORS SU0014158 S00021536 Attachment:Attached | Time:5 min Rat #=10.0 SUBJECT_SAMPLE_FACTORS SU0014159 S00021537 Attachment:Detached | Time:5 min Rat #=11.0 SUBJECT_SAMPLE_FACTORS SU0014159 S00021538 Attachment:Attached | Time:5 min Rat #=11.0 SUBJECT_SAMPLE_FACTORS SU0014160 S00021539 Attachment:Detached | Time:5 min Rat #=12.0 SUBJECT_SAMPLE_FACTORS SU0014160 S00021540 Attachment:Attached | Time:5 min Rat #=12.0 SUBJECT_SAMPLE_FACTORS SU0014161 S00021541 Attachment:Detached | Time:15 min Rat #=13.0 SUBJECT_SAMPLE_FACTORS SU0014161 S00021542 Attachment:Attached | Time:15 min Rat #=13.0 SUBJECT_SAMPLE_FACTORS SU0014162 S00021543 Attachment:Detached | Time:15 min Rat #=14.0 SUBJECT_SAMPLE_FACTORS SU0014162 S00021544 Attachment:Attached | Time:15 min Rat #=14.0 SUBJECT_SAMPLE_FACTORS SU0014163 S00021545 Attachment:Detached | Time:15 min Rat #=15.0 SUBJECT_SAMPLE_FACTORS SU0014163 S00021546 Attachment:Attached | Time:15 min Rat #=15.0 SUBJECT_SAMPLE_FACTORS SU0014164 S00021547 Attachment:Detached | Time:30 min Rat #=16.0 SUBJECT_SAMPLE_FACTORS SU0014164 S00021548 Attachment:Attached | Time:30 min Rat #=16.0 SUBJECT_SAMPLE_FACTORS SU0014165 S00021549 Attachment:Detached | Time:30 min Rat #=17.0 SUBJECT_SAMPLE_FACTORS SU0014165 S00021550 Attachment:Attached | Time:30 min Rat #=17.0 SUBJECT_SAMPLE_FACTORS SU0014166 S00021551 Attachment:Detached | Time:30 min Rat #=18.0 SUBJECT_SAMPLE_FACTORS SU0014166 S00021552 Attachment:Attached | Time:30 min Rat #=18.0 SUBJECT_SAMPLE_FACTORS SU0014167 S00021553 Attachment:Detached | Time:45 min Rat #=22.0 SUBJECT_SAMPLE_FACTORS SU0014167 S00021554 Attachment:Attached | Time:45 min Rat #=22.0 SUBJECT_SAMPLE_FACTORS SU0014168 S00021555 Attachment:Detached | Time:45 min Rat #=23.0 SUBJECT_SAMPLE_FACTORS SU0014168 S00021556 Attachment:Attached | Time:45 min Rat #=23.0 SUBJECT_SAMPLE_FACTORS SU0014169 S00021557 Attachment:Detached | Time:45 min Rat #=24.0 SUBJECT_SAMPLE_FACTORS SU0014169 S00021558 Attachment:Attached | Time:45 min Rat #=24.0 SUBJECT_SAMPLE_FACTORS SU0014170 S00021559 Attachment:Detached | Time:90 min Rat #=19.0 SUBJECT_SAMPLE_FACTORS SU0014170 S00021560 Attachment:Attached | Time:90 min Rat #=19.0 SUBJECT_SAMPLE_FACTORS SU0014171 S00021561 Attachment:Detached | Time:90 min Rat #=20.0 SUBJECT_SAMPLE_FACTORS SU0014171 S00021562 Attachment:Attached | Time:90 min Rat #=20.0 SUBJECT_SAMPLE_FACTORS SU0014172 S00021563 Attachment:Detached | Time:90 min Rat #=21.0 SUBJECT_SAMPLE_FACTORS SU0014172 S00021564 Attachment:Attached | Time:90 min Rat #=21.0 SUBJECT_SAMPLE_FACTORS SU0014173 S00021565 Attachment:Detached | Time:3 hr Rat #=7.0 SUBJECT_SAMPLE_FACTORS SU0014173 S00021566 Attachment:Attached | Time:3 hr Rat #=7.0 SUBJECT_SAMPLE_FACTORS SU0014174 S00021567 Attachment:Detached | Time:3 hr Rat #=8.0 SUBJECT_SAMPLE_FACTORS SU0014174 S00021568 Attachment:Attached | Time:3 hr Rat #=8.0 SUBJECT_SAMPLE_FACTORS SU0014175 S00021569 Attachment:Detached | Time:3 hr Rat #=9.0 SUBJECT_SAMPLE_FACTORS SU0014175 S00021570 Attachment:Attached | Time:3 hr Rat #=9.0 SUBJECT_SAMPLE_FACTORS SU0014176 S00021571 Attachment:Detached | Time:5 hr Rat #=1.0 SUBJECT_SAMPLE_FACTORS SU0014176 S00021572 Attachment:Attached | Time:5 hr Rat #=1.0 SUBJECT_SAMPLE_FACTORS SU0014177 S00021573 Attachment:Detached | Time:5 hr Rat #=2.0 SUBJECT_SAMPLE_FACTORS SU0014177 S00021574 Attachment:Attached | Time:5 hr Rat #=2.0 SUBJECT_SAMPLE_FACTORS SU0014178 S00021575 Attachment:Detached | Time:5 hr Rat #=3.0 SUBJECT_SAMPLE_FACTORS SU0014178 S00021576 Attachment:Attached | Time:5 hr Rat #=3.0 #COLLECTION CO:COLLECTION_SUMMARY - CO:SAMPLE_TYPE Retina #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A011_Glycolysis-TCA-nucleotides.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A043-TCA-Plus-20170713.pdf AN:ACQUISITION_PARAMETERS_FILE QTOF-002-HILIC-35min-1mm.m #MS MS:INSTRUMENT_NAME Agilent 6520B QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS none #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts/ug protein MS_METABOLITE_DATA_START Samples S00021535 S00021536 S00021537 S00021538 S00021539 S00021540 S00021541 S00021542 S00021543 S00021544 S00021545 S00021546 S00021547 S00021548 S00021549 S00021550 S00021551 S00021552 S00021553 S00021554 S00021555 S00021556 S00021557 S00021558 S00021559 S00021560 S00021561 S00021562 S00021563 S00021564 S00021565 S00021566 S00021567 S00021568 S00021569 S00021570 S00021571 S00021572 S00021573 S00021574 S00021575 S00021576 Factors Attachment:Detached | Time:5 min Attachment:Attached | Time:5 min Attachment:Detached | Time:5 min Attachment:Attached | Time:5 min Attachment:Detached | Time:5 min Attachment:Attached | Time:5 min Attachment:Detached | Time:15 min Attachment:Attached | Time:15 min Attachment:Detached | Time:15 min Attachment:Attached | Time:15 min Attachment:Detached | Time:15 min Attachment:Attached | Time:15 min Attachment:Detached | Time:30 min Attachment:Attached | Time:30 min Attachment:Detached | Time:30 min Attachment:Attached | Time:30 min Attachment:Detached | Time:30 min Attachment:Attached | Time:30 min Attachment:Detached | Time:45 min Attachment:Attached | Time:45 min Attachment:Detached | Time:45 min Attachment:Attached | Time:45 min Attachment:Detached | Time:45 min Attachment:Attached | Time:45 min Attachment:Detached | Time:90 min Attachment:Attached | Time:90 min Attachment:Detached | Time:90 min Attachment:Attached | Time:90 min Attachment:Detached | Time:90 min Attachment:Attached | Time:90 min Attachment:Detached | Time:3 hr Attachment:Attached | Time:3 hr Attachment:Detached | Time:3 hr Attachment:Attached | Time:3 hr Attachment:Detached | Time:3 hr Attachment:Attached | Time:3 hr Attachment:Detached | Time:5 hr Attachment:Attached | Time:5 hr Attachment:Detached | Time:5 hr Attachment:Attached | Time:5 hr Attachment:Detached | Time:5 hr Attachment:Attached | Time:5 hr GLUCONIC ACID 2709.151063 3715.061079 4474.915708 5389.608198 3166.173925 6817.292009 3357.017799 6420.413708 4253.888592 4110.048715 4773.107464 4144.998891 3495.592839 6352.12996 2437.761451 7171.584156 5173.203521 4189.25769 4009.484507 6327.270702 2623.48965 6052.376508 2982.564567 5488.207404 5843.440407 7459.653123 4241.258697 6315.368018 3538.088869 4010.905302 4430.403908 12125.41485 6733.901634 9183.887952 5858.163874 11755.36944 5721.627271 9797.776323 17756.62696 11924.68707 5925.405886 6576.988068 SUCCINIC ACID 291.8366824 4680.764666 1090.762798 11541.84527 802.1694532 2487.48898 567.962027 8878.375762 757.5059578 2415.475281 813.6430313 2829.910264 809.8100126 4490.021096 794.0756395 9322.290492 2278.87619 1000.960657 780.2100924 3217.005335 274.3069086 4845.464937 552.8268088 2413.359755 4573.285231 15657.25629 2151.612326 806.4270058 872.4753699 3844.470304 2173.561402 1906.519601 1080.366294 7208.93608 1217.879611 3830.958512 385.2374768 4881.186938 7698.3858 4437.440277 389.422665 4808.142818 TAURINE 1646712.009 3603393.964 3892931.875 5709412.212 2219093.891 4835694.28 2297982.979 4778305.396 3256789.59 4028070.916 3705784.493 4121309.972 3387622.265 4828130.972 2680564.158 5107645.821 4662345.026 3645435.909 3178880.266 4638482.184 2679896.766 5215272.86 2218454.122 4502488.029 3140568.535 5067129.256 2916688.205 5469391.844 2579589.274 1958010.823 2508441.85 4237233.811 3660185.554 4833802.063 2525916.019 4607638.49 2569608.544 5693993.03 5170940.408 5693389.351 2121695.139 4933807.998 XANTHINE 113589.1541 152901.8172 194276.0527 131611.7787 145053.6377 191193.0525 122260.5519 106275.2913 179220.2249 167808.1909 193969.8809 208394.0086 175755.8121 174045.3562 95285.0945 170478.9923 199521.1691 153920.6288 132583.1483 174211.4871 102635.9923 167304.5189 101496.8973 120310.9438 80074.60448 75836.55834 87565.67213 267315.4138 96297.30825 16870.53478 107652.9402 198829.3327 143223.6989 170621.7739 76266.26108 166942.1341 117338.7405 192250.896 197521.0508 143117.4178 108841.769 126299.7318 GLUTATHIONE 13596.06397 62604.72959 54159.80133 101181.0301 30302.27773 78770.639 39586.98925 100596.396 48330.7008 93112.66916 47461.08058 81541.06711 38974.29747 89194.10798 50101.48737 61501.96486 95870.5346 48422.75077 43724.72187 107920.5706 58284.62226 107019.4446 23616.52359 65428.58403 59205.11836 106035.9887 47058.01136 59064.23945 34201.94703 55409.63912 61280.9162 87123.36488 24936.76362 104970.8822 43613.56161 82989.36168 40514.15299 80374.08509 62554.48438 79898.61296 26722.01198 136417.5579 2'-DEOXYURIDINE 4183.530539 20899.62749 9011.472273 42135.03306 4935.558322 27778.61857 7428.256021 31525.4742 6450.908261 22138.47273 11201.95265 26964.09266 12457.0783 30244.41113 8545.930826 39636.62045 20783.56986 17615.6286 11203.43831 35058.27507 7412.84546 35261.51928 4691.136334 30041.78898 15673.93103 37132.94969 15561.45078 15435.04422 9279.801983 10623.11867 18267.53135 22841.71642 18496.50099 30746.77602 9499.324201 25784.76175 10258.65965 36240.30523 40881.29076 40392.48288 11195.22179 34176.29139 L-PROLINE 12218.72717 25196.12743 26171.53071 33119.67575 12117.82141 39432.80642 17206.81034 29986.1926 20437.79736 24386.31274 25817.92994 23697.09585 21489.2629 36175.78303 14322.44605 34828.50895 28989.76718 22481.98786 19532.40127 30579.39944 17249.52679 31484.80427 15880.26854 24229.02327 23819.59518 30078.24603 20465.18009 35890.58079 19318.96447 17077.59565 28071.65595 39227.98335 33243.64246 38159.60521 19310.40239 36265.65881 26727.65277 30808.57089 62724.98475 35319.98893 20700.93359 31362.71972 BETA-NAD+ 440.0954703 1660.347573 1161.373721 2817.76498 526.186021 2187.313514 658.8091998 2358.572431 1018.424254 1491.608621 1056.916046 1490.637278 1394.475703 2540.109139 1382.839261 2739.051433 2092.258675 1504.686063 1449.364328 2281.580871 1439.3595 2376.191664 1106.874931 2372.22966 1063.135981 2636.821625 1147.061086 1953.347096 1291.225572 1496.720643 1196.800288 1810.713443 1752.919051 2744.346118 1511.718767 2374.79326 1268.446362 2996.595042 2527.451995 2663.100296 1131.65445 2574.390595 COENZYME II 88.18451306 404.7289265 629.93592 621.4366063 345.0806515 586.163767 349.5868863 849.3789069 428.249862 518.6743701 604.6406349 543.0867017 493.1954053 610.0661869 429.3132193 759.4231719 810.7482833 591.5554879 551.9097881 861.2490888 429.1354353 640.8933887 346.762293 620.7536597 581.8137112 754.2737502 408.1643724 741.7774419 347.3947183 459.3300689 452.1423253 856.8946454 621.3268208 785.0119167 414.2221876 708.2102537 533.9203481 888.3311602 770.7308634 915.7888977 396.6865698 951.4392976 UDP-GLUCURONIC ACID 281.8941224 781.9372011 549.3155142 1211.494737 223.4293244 1104.670797 328.3035336 873.0830697 473.4755677 700.7190552 644.5751809 660.1623342 485.7607178 1087.461211 474.0662011 985.673683 836.5446535 701.3500285 527.6391629 1088.633041 431.3277964 1108.017993 392.4982736 979.8979798 463.9126072 926.3980646 428.7657045 1051.45341 430.8360992 384.811929 919.8307593 1417.492892 1059.930002 2329.709182 579.0729883 1795.371404 696.2054661 2660.921031 2262.592047 2643.048727 674.6220721 2494.686432 ACETYLPHOSPHATE 431.5269518 767.6453263 815.0643286 1410.148599 650.8240543 966.2574792 597.0814686 966.3528256 646.4704882 1135.490271 819.1047875 1363.223936 762.4074809 1171.318965 498.4361368 980.29174 1410.47755 853.1449151 646.9906636 1264.212479 606.4066722 180.1693743 496.543314 928.2837876 793.8874359 814.0431229 624.9744714 1068.212747 579.1160275 439.0288536 815.7113473 1020.723137 679.861257 1140.583297 599.8629743 1339.00019 565.0492965 1523.56037 925.471015 1468.758795 539.3625766 1249.57468 ADENINE 4489.528698 15622.45572 8036.200504 28064.02511 2692.487782 18108.07561 5085.576384 423146.4408 6115.068291 10571.85564 9710.053756 14942.98639 7653.471358 20467.43797 6176.50878 29471.10119 13047.58289 8444.675904 8161.946401 21237.23469 12118.72638 28049.37752 5442.606271 24991.63008 32623.48807 284886.6321 21969.62162 13800.57298 5717.824115 77847.55228 19131.1853 17920.73988 11092.52733 35340.9799 6615.602143 26430.94484 11313.66152 37809.40916 22712.3927 26149.29379 8317.423126 37250.04371 NADP-REDUCED 225.2813126 663.2745241 11.33002017 1041.71209 1022.321965 77.11624055 75.45779174 248.1977272 458.7297766 159.9592154 568.6104938 267.473182 923.4414304 358.9970949 562.6333965 399.5582349 255.3614299 275.7654868 591.506436 272.9598481 852.6220914 151.7611687 649.1363455 13.41088405 323.6174827 418.8766336 168.7222789 255.1951171 290.611677 328.0978412 1025.322938 303.7036 575.6620237 17.01687375 1019.163675 889.8928834 459.9296742 110.5778647 706.2095003 L-GLUTAMIC ACID 103430.6648 224945.5892 231254.9695 332311.1058 123236.0576 329166.1972 136831.5433 316042.4202 204758.5537 269264.2456 244832.4743 272464.5135 215359.463 339357.4516 152191.0347 330746.807 268675.4415 233372.4283 186098.4472 289429.288 163899.5742 327393.3775 143863.0964 290119.2966 183433.8165 322145.6638 174947.2826 352000.9671 144785.3912 137304.3805 179985.8058 302281.0295 263467.3114 350509.2066 159437.6325 321826.33 182508.2326 389052.6367 378956.4819 407873.2438 157068.7021 343560.4714 NADH 197.629651 1248.445368 441.9189852 2085.711746 2237.854011 395.7651981 839.081835 355.2698958 927.8648805 492.6197495 753.7827145 922.8129134 2570.47077 730.7491755 2132.335675 817.1136563 578.5641077 633.1319379 1544.094518 688.4496445 2089.956524 382.5028712 1566.358802 3167.126672 2154.616917 2283.991141 914.5300407 803.3438759 837.9806243 566.9622001 1092.874984 916.7080025 2783.80612 766.8023076 2171.847485 407.7586038 2153.207757 2208.842445 1654.097843 474.5279526 1686.64676 RIBULOSE-5-PHOSPHATE 4826.603069 16018.06445 11813.59 23897.33155 7299.580322 19955.17297 8546.119764 21819.86197 9350.878211 18418.75068 12272.09792 24288.66285 11549.27509 19888.09462 10238.44121 17368.0169 24005.03134 14724.22002 10792.00483 23017.50667 10309.41868 20796.25184 7967.538188 17875.32051 12797.29428 17196.01517 11030.17471 15580.73269 8548.856606 3824.75799 15255.54466 20011.97891 13235.60604 23740.83242 9705.814969 21507.50131 9775.510497 27336.22931 21569.0366 25547.88359 8078.727576 24554.25238 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 633.4506893 1059.144668 1767.914707 1043.492951 683.4810339 1601.034903 1061.229351 1405.530255 1048.605326 1430.327472 1456.905861 1489.737348 1025.624421 1357.485142 558.7186132 1366.913145 1000.272518 1332.642875 861.0487653 1369.326758 711.7291301 1331.935134 670.1372263 1089.874853 908.5982812 963.8138048 819.420044 2010.677792 730.6610295 772.4130449 723.4659877 1934.953735 1317.550593 1292.774762 783.0785188 1595.123394 792.0472512 1422.206181 1543.399287 1467.858591 724.9498028 1268.359474 ACETYL-COA 30.424184 468.2798196 149.184156 646.1890086 12.43387916 829.336089 118.7117116 402.9836372 113.1074869 286.9591166 224.6275856 257.1544152 251.9397386 956.7852657 184.9462011 697.955489 207.9061938 112.014576 284.9890118 518.1202365 366.5687529 982.4098677 277.7441915 687.9881087 212.9692941 280.6184132 97.34166851 586.5094346 155.2102276 95.05728192 122.1327159 385.0289187 371.7480416 899.2658095 182.4518911 850.9340343 197.6162804 730.4395124 682.1954358 693.5324472 186.3147662 723.0448912 OLEIC ACID 407743.8282 554055.1824 591856.1317 758526.6291 491606.7104 611294.5864 446741.0063 266151.1636 562320.4057 750984.3477 642744.2076 704882.642 589305.8819 571612.0859 383395.9016 576070.5131 771722.662 711343.985 498039.3892 626059.276 355706.4448 589213.1939 385179.7899 563998.5545 214753.9772 248388.972 237677.7336 775175.2213 301804.9727 96483.78238 394109.1992 741129.0315 570420.613 544028.7611 261591.7441 489795.0322 415767.6402 779224.439 718125.9938 757757.272 348835.2438 593217.0257 UDP-N-ACETYLGLUCOSAMINE 1562.372959 10283.62948 5429.422384 16735.71562 4124.13549 16587.46954 4408.78306 16699.3159 6074.186314 11384.35131 6813.443677 11060.29766 7207.10886 18125.01049 7443.463874 15438.76678 13024.51449 7633.288228 8195.352354 18251.43553 7836.034591 18954.84557 5172.307038 13907.72057 8190.896605 16616.33834 6680.871724 11080.59882 6028.009351 7129.049597 8995.182339 15560.73224 10154.40527 22424.39124 7608.064109 19017.84727 8710.672163 22371.40296 18754.06808 20186.36031 6291.180225 23610.89457 FAD 221.8938437 645.8957297 648.4546917 882.107139 291.0989309 778.665736 334.8181905 732.1756846 427.1118206 642.6170222 608.2319962 721.0530288 518.4272498 796.6482565 427.3956367 726.2306092 609.8494087 612.5582056 446.655005 848.1711213 336.3857295 809.0315197 331.2060374 741.4380093 540.539018 776.643406 417.19533 840.8885609 348.8730502 285.338058 367.5397063 756.654733 593.8079185 790.7176436 341.6074656 739.0451519 390.607195 933.0147287 978.0963481 1001.677695 346.6420793 885.3038095 MALIC ACID 8651.637513 37597.13661 22068.73268 75666.3059 22024.56479 43146.5824 11356.64538 107614.0543 9585.06889 38769.06083 16130.22673 57667.87471 11657.53779 34805.79065 11444.45139 39692.97035 45223.67 11643.52002 7535.923908 35447.22165 6092.291995 29402.26187 3988.111144 32228.84225 81289.43197 101062.0552 52558.93279 14254.64629 6717.41441 41278.02274 41018.13152 38044.61681 16539.8196 42049.24731 20185.52046 26270.0016 12054.98861 69225.69418 53148.98624 59098.88395 3768.154078 61547.53528 STEARIC ACID 912093.8789 1254092.217 1272874.885 1838799.557 979416.587 1723184.505 872074.2795 1278929.027 1274784.29 1685806.577 1468588.354 1784075.555 1072292.451 1517898.607 863175.5303 1399946.78 1667411.834 1621467.101 1044441.75 1690678.766 891813.0143 1588957.522 863614.178 1411105.395 1043300.127 1256834.435 744939.5215 1945654.433 804964.6762 456847.0356 867750.9631 1536279.852 1230188.209 1515961.115 676716.1445 1319997.215 830091.6544 1878133.462 1591326.43 1743265.906 728499.1324 1371617.414 UDPGLUCOSE 2137.90676 9149.356456 5854.865795 13332.28685 3611.891388 10126.35228 3399.907257 14391.12353 4633.496265 8238.238847 4735.418595 7885.919849 3526.655346 12876.25813 4757.88405 11542.14294 8285.729815 7611.601518 5227.730954 12457.2414 4043.869316 13371.08234 2593.041541 10061.71262 7292.876596 15510.36667 5911.636814 9739.926842 3454.620366 6114.768783 6984.359043 13847.519 5954.182587 15332.6433 4628.603449 13878.53581 6110.969795 16132.26615 13051.60157 14045.83072 3965.790217 16754.79424 D-GLUCOSE 103593.6776 259008.9008 245270.3147 266849.5486 117151.0429 384613.347 126027.286 343934.1059 196331.3 274803.9061 255890.7245 290740.3942 175087.4151 324319.4424 150179.8081 310619.8331 282017.9925 232457.8377 188651.7953 312185.5139 154488.0774 397179.4275 127180.067 307759.7939 189564.0717 321164.692 143428.3275 339847.9424 149414.5451 125002.707 163455.0662 297946.8231 222782.2933 356395.9887 146744.5943 324063.7172 152955.4054 365263.9026 348293.7729 372964.7891 129553.8442 336269.3332 CREATINE 19952.51972 50119.14112 34609.30969 71813.73074 22341.37731 66918.73655 22952.39649 69501.03605 36674.16606 44795.44164 43935.69429 53501.05058 40980.77722 66322.78933 30918.27015 72673.09818 57316.79028 35508.1974 41173.18028 56114.04675 27194.09493 61723.4866 22060.35832 54190.42409 34974.80786 73889.49127 35136.76014 55208.28 28839.69891 24521.53826 27175.30288 51262.9849 35702.34693 62683.05359 22791.92229 50348.01138 25850.5295 72982.53765 60182.47364 53743.34827 20509.84245 50480.04632 CREATININE 3794.327476 9226.810809 7952.991791 12089.75058 4505.706316 11090.49703 4521.086623 9495.506724 6422.519945 8657.623685 8348.279725 9147.380172 7355.391873 12004.3235 5171.83902 11700.07633 10376.70353 6757.001887 7801.330589 9759.578879 5807.319339 11094.86453 4724.683644 10048.43485 6724.508099 11118.3767 6233.71564 12016.39361 5223.051879 3942.249575 3704.866636 8851.13399 7103.189228 10206.29036 4469.848283 9866.092599 5774.986921 10321.39722 10072.38536 12319.29069 4001.606114 10211.30087 L-ALANINE 21654.88591 58353.82089 49944.98515 93191.22409 26491.36103 76628.36245 32508.18206 74130.38952 44198.42303 56763.50497 54212.55439 55720.42247 49393.82913 90096.53376 39803.53326 100738.6113 69129.99387 46976.1727 46819.45399 73360.49381 35884.60642 85272.27035 27274.74419 71285.02822 50352.41873 89524.33483 47462.47823 74281.28183 37065.62096 23297.7204 34145.74803 63114.94253 47884.65136 73411.15442 33296.16524 69663.41652 29979.40957 76484.50066 80171.79352 84038.38313 26905.5537 72113.15582 ROBISON ESTER 4029.490065 7378.804882 7306.264854 13452.13724 4233.014312 10205.53254 5263.495591 11330.7051 4760.770355 8996.350017 7214.34866 9825.230661 5887.25635 11444.30515 3948.059141 13494.657 9474.878427 7073.784634 5047.668491 11494.75104 4399.366418 11189.52144 3477.732712 10002.29325 11148.43816 12400.18423 9969.07854 7732.169609 4627.264332 6643.652384 6241.671326 9401.315961 7499.515321 11778.83756 4848.36131 10327.60196 4114.524306 12255.30825 11260.02033 11951.87697 4250.209737 11927.07595 L-ASPARTIC ACID 12367.04091 39109.08061 41316.01437 67900.01041 33660.88877 41056.56744 24925.08504 49548.00904 40509.13925 53163.32386 43322.91183 61162.28213 29649.66513 57802.78574 29574.66503 37071.75997 57277.9665 38676.81689 31449.32947 52536.66439 25336.54525 52424.22747 18071.75085 50255.56566 22730.55798 60159.98884 23493.20115 45848.48736 14917.77934 26245.63745 53480.83761 69003.18751 45854.24059 72735.76992 30363.86589 46032.80716 43767.00893 95064.04021 100341.2149 121852.5363 35380.61038 108409.9631 L-GLUTAMINE 74588.8764 166275.333 165943.9509 252578.4255 99825.84292 268453.9428 94715.8986 255062.8941 153410.6904 201980.153 180586.7217 198953.1489 147386.4145 275497.6688 105589.1453 273821.5994 210958.7136 206250.3278 165497.5762 295268.1694 130505.6315 284299.5724 135978.583 238782.8714 167255.838 310026.5356 158603.3413 328195.3076 124636.6392 132993.2709 152591.0826 250412.0393 218845.1712 275325.1336 145183.9111 253836.2421 201154.0561 350196.1547 363087.9475 323702.6919 157526.5734 287211.8157 L-LYSINE 4110.644478 10822.30657 7131.630631 8919.873897 3870.513281 16792.1913 5288.654095 16377.0628 5598.233764 9790.882367 8245.411802 10746.54508 5176.515863 13697.22326 4990.703464 17265.68585 8914.563672 7543.569073 6534.621292 14375.27544 6013.698297 13364.03053 4147.451227 322.6077279 5412.624216 17258.8843 7130.50658 13295.05974 5873.830766 6715.499261 9814.339695 17183.99189 13637.14822 18107.44714 6628.553702 15106.97445 9339.176145 20547.59356 20752.91667 11477.59104 9436.791361 6254.872517 INOSINE 236374.3651 730438.9794 605004.6359 904419.837 366713.9128 1025649.287 419752.1602 322689.4476 561067.9447 775438.8426 711921.5093 754424.6854 634471.5888 973316.551 493535.1672 908807.3352 926582.0979 675440.6552 613494.3022 924158.7684 527897.2431 961564.9999 429019.2624 799473.7585 515423.9959 357124.3409 542447.2212 953069.4558 464059.1806 71252.41225 540583.7427 911774.271 714920.1163 1065974.594 439791.5075 873088.849 519759.0635 1021419.75 1091506.07 920121.3279 434836.5165 838717.2337 ADENOSINE 5'-DIPHOSPHATE 1016.418255 3613.33821 975.2050946 6598.227746 881.8275838 5209.833496 595.1845497 16095.52671 1214.907961 3971.661397 650.0752205 3509.577851 1055.121412 6675.373398 1831.740181 6461.293486 3304.543162 1719.788959 2443.134201 8011.74585 2413.415337 7111.502898 1895.246975 4683.514269 2278.253871 14333.56859 1389.354786 3101.598564 1728.945998 3632.006952 2196.687258 4110.298552 2704.085027 7820.637795 2285.308758 5750.111057 2294.503019 9069.826353 5247.093751 6974.663025 1386.032395 7430.828194 URIDYLIC ACID 171.0922127 434.5270227 105.1490281 1516.128318 142.8713741 1303.917569 89.39424339 292.1008243 108.9857275 546.8425615 1813.805695 135.9603464 1318.065271 186.3693576 215.9790876 235.637836 1454.599214 172.4493014 1854.86551 165.6793458 940.5523756 11.38973468 3218.780456 57.00289874 309.3348163 99.40353257 552.2530783 262.9867832 713.8842373 259.2815101 3358.012947 310.2555506 1668.346858 240.3318521 1885.248475 860.1134424 1710.029795 116.5819537 2304.028569 L-TYROSINE 29978.73947 73130.59157 57346.07712 81022.22854 26024.94609 114342.3031 38186.59891 100051.1084 48369.51424 82392.35387 57956.80583 75976.37243 44964.46416 93905.14531 28564.05277 106752.1633 69014.85227 65268.85297 38808.94925 100059.7262 37434.20414 89727.35062 32950.19206 52341.08047 51976.49944 79541.05502 44341.54701 68941.5561 34295.51532 34202.07194 33580.24976 74063.74919 59089.70331 82780.30172 34080.55193 76971.41297 31729.03941 75147.2499 80257.02986 57297.84228 25961.43765 55771.2028 ADENOSINE 5'-MONOPHOSPHATE 878.6238831 1623.995856 1046.969927 3711.222302 431.0562405 3403.609006 396.9614166 8833.381521 682.2402071 1775.055717 903.6750653 3245.682047 525.763386 4322.468561 725.3278905 2984.959197 1084.724172 1226.088218 792.6692913 5052.91106 853.3909454 4506.771512 593.8223417 2583.312956 630.6249578 20864.13651 400.3232213 1699.22701 519.9187397 2142.724822 875.6777945 2521.150464 977.3695484 7300.050086 1292.851349 3768.053799 869.1511866 5183.779286 2412.349172 3743.857342 435.4183672 4825.96605 LACTIC ACID 3076.957796 5998.617534 5271.707813 8949.248252 3466.777832 9189.153225 3539.065784 8407.623978 4126.635935 4938.782043 5693.528663 3925.432576 6195.211804 8535.177779 4437.17579 9715.026843 6743.818222 4676.974833 5885.127648 7511.364363 4267.196457 6937.288814 3615.978784 6626.768536 7072.534457 11680.18166 5790.077754 9069.583678 4764.838964 3787.768681 4180.484244 7785.305911 7148.213128 9389.316276 4329.081337 7835.467068 5165.782643 8724.45405 10387.98428 8009.90475 4966.461618 7690.395975 L-METHIONINE 6213.773158 14375.98541 14524.31162 20601.66358 5910.237137 25701.55225 9354.70248 20857.56853 10535.94303 15166.17172 13747.3598 14713.49819 9895.214868 22490.57108 6151.28071 23191.74746 13721.10774 12979.54493 7714.600305 19780.47062 7071.704268 17671.04698 7314.626963 12920.61775 10753.48964 15738.17292 9210.397323 15396.31131 6701.418413 6122.269511 9558.768715 18258.13246 14280.33113 21812.27691 8287.497024 20100.76656 8036.954474 16679.12305 20244.13866 15407.96954 6970.187057 14854.33608 L-PHENYLALANINE 25483.97961 58485.41445 55510.46906 75346.79405 23238.97907 99324.10889 35425.50661 81917.81256 41050.16716 65019.85107 51397.21675 57278.17202 37595.00231 87868.054 24655.53447 93039.22052 53698.985 53519.65501 32956.08915 84395.93132 35751.70334 91244.1824 32783.15764 55377.93463 51312.94698 74842.43875 41799.93769 66860.24698 31147.51087 30345.60975 42713.93876 88958.15745 77122.97999 100574.846 45956.17534 108055.8355 50165.58473 99179.093 127522.8461 103408.1314 42302.8452 92090.34043 DL-SERINE 2632.002415 6581.266331 6567.143498 11447.79482 2296.888018 10155.84588 3175.591302 7433.799213 4212.681132 6103.484948 5661.515828 5721.663775 4534.968968 10466.4291 3242.780837 11587.62269 6404.22783 5934.434347 4179.333975 10349.10857 3658.253414 9761.404353 3292.434708 8835.264099 4652.923441 8250.266835 4471.036313 8163.206141 3607.478943 3359.756378 5741.143155 8108.98269 7266.205436 10403.49969 3288.166809 8862.611716 4463.554307 8919.454577 12549.0059 10360.65699 3746.105805 8981.754148 L-ORNITHINE 2121.720577 2250.895287 197.8364875 4345.383646 2371.73019 2585.819026 1570.62144 3485.222721 2387.414689 2932.252744 2864.615175 3410.308257 2352.418843 3479.835364 2141.117954 3517.804361 3568.147008 2961.498287 2172.517472 3191.921339 1652.044801 3825.36371 1710.093316 1356.331572 3212.669777 3013.881301 2812.859484 4887.660781 2029.193696 1678.29414 1784.912522 3089.135469 2974.811727 3259.001375 1989.434565 1623.032479 2189.985909 4228.039836 3925.498983 5715.851068 2316.287613 1337.136024 L-ASPARAGINE 1650.717757 3666.923191 4906.516033 5776.576128 1710.179582 5716.457853 2323.622341 4743.662142 3473.770559 4379.107001 4221.371498 3382.404245 3157.507783 6222.302708 2230.107234 6164.954887 4287.915792 3982.442063 2905.099876 5083.576654 2002.912191 5072.090825 2277.939274 4938.958767 3150.941002 4310.554042 3010.470304 6010.449008 2018.112497 1833.420118 3062.071809 5434.260312 4247.588202 6082.080481 2571.085092 4898.293388 3426.570189 6256.936116 6908.507728 7015.089936 2649.194637 6043.609515 L-HISTIDINE 6868.113611 16239.43224 15489.13174 22914.08617 6789.217654 19491.46201 8510.682042 20045.25175 12010.96296 17925.28549 14836.21674 14320.98137 11447.30802 24267.17875 7115.120135 26393.31984 15819.04984 14572.03222 11097.69237 25352.35845 10043.45514 25177.38066 9696.920552 18924.88814 12595.62652 19750.09061 11434.61658 20887.43888 8760.207651 7900.917452 11382.87459 24119.00389 18746.94996 26552.7694 10526.58946 24377.98511 12496.70242 25628.72869 30620.12137 24332.48512 10324.44076 20714.11645 L-VALINE 1092395.922 1290088.649 1458595.575 1944765.531 1850070.931 1687571.738 1143737.334 1991217.736 1574242.282 1849675.368 1419095.217 1812363.072 1641858.808 1708927.81 1211734.757 2095301.246 2579668.903 1664261.677 1600493.082 1916342.624 1498200.45 1817272.538 1488228.34 1853129.11 1773620.767 1996649.607 1356251.823 2315801.127 1398831.727 962126.4102 1310466.823 1664258.703 1652305.947 1731522.485 1331385.4 1785454.714 1280093.128 2301353.693 1892914.423 2417562.425 1298987.142 1845458.431 L-THREONINE 3571.86348 7985.177191 7167.60032 16360.87212 3754.344274 12600.78245 4281.022328 10630.40911 4607.038904 9253.108167 6525.712298 9221.093733 6194.555649 12468.89345 3338.079324 13590.05147 7888.260744 7557.682259 5344.135876 12921.59485 4183.72631 11511.85536 3998.619203 8224.882186 7653.783301 10188.07557 6260.279989 9013.641279 5321.156665 4678.337265 6909.738712 11168.17881 9966.541082 12049.9838 6032.13549 12299.74064 6346.095074 11759.23455 16896.63178 15526.08041 5977.956263 13341.14536 L-TRYPTOPHAN 13109.5273 30214.24046 31277.89099 42352.13961 14581.99171 51234.73942 19334.40193 39180.00653 22187.099 37749.74304 28212.06372 34176.294 23379.7309 50177.50909 14886.32376 47939.82006 32657.0335 32057.29261 19709.81467 50427.75534 20592.83069 48054.4346 19748.19273 34445.00907 27852.88458 36883.93537 22837.34724 37213.58546 17945.46354 22333.52702 25046.55577 55215.08682 37175.83388 50716.18618 24021.08555 52951.21119 22314.37399 40446.99264 50530.26421 46261.60758 16844.43664 39064.77301 L-ARGININE 3639.95122 8180.189244 9729.909066 8584.439287 3564.906609 13947.33305 4963.392826 9883.246956 5567.443186 6511.4583 4897.85625 7729.712469 5575.875049 15532.91697 4088.493832 12233.86385 8137.442334 4804.796264 5228.996761 10810.09786 2390.973954 9950.127035 4626.36983 11880.04966 5693.507382 10554.00441 6528.894979 11514.62805 5213.955129 4442.305829 4868.877958 13516.52772 10836.97373 13480.21797 4593.273287 15021.83875 6297.814402 13076.61927 16628.97323 11971.39837 6297.421295 13799.71097 OXIGLUTATIONE 3564.883732 9792.879152 5810.277675 12854.58157 6908.200379 20352.63341 6682.28632 35309.79806 4597.654578 9633.262358 6496.358119 10725.44789 4429.417274 12846.63114 4857.652508 10602.20326 12024.14981 5715.431779 9301.006605 16002.41446 6842.911116 13412.9815 5058.762664 8081.222428 10306.38426 16418.81872 6566.143921 6012.45635 4021.994996 14231.36152 7433.249209 14976.74744 7467.575456 22893.56539 4346.990584 12222.69659 5329.739805 18428.30033 11407.72203 8987.90626 3027.032308 14758.75974 D-PANTOTHENIC ACID 10060.60892 19781.21669 21577.4304 34678.47137 10311.97962 30653.31606 12252.32427 23026.18939 19264.82394 25758.43063 26812.53958 21208.1745 19640.07688 34846.31541 14345.22535 29884.08759 26156.338 25584.27954 19268.86611 32241.75152 13161.50865 28927.44165 12510.3361 29293.74966 15245.48774 28115.16009 14115.00991 35217.6646 12732.50167 10903.36075 11036.95266 25675.69202 22610.30195 31611.72852 15855.13806 33363.66072 12944.31102 28414.29689 30625.32822 40760.84577 10855.20497 32205.10283 5'-GUANYLIC ACID 348.2152032 1986.683791 694.702617 10540.15638 327.0734169 4172.681953 238.8243929 11994.44519 469.4559534 1608.538719 474.9451872 2260.863024 318.9939432 11166.00498 492.2869763 6227.914966 769.2975213 1117.987168 898.5643222 6896.294794 888.2137767 10230.67656 644.0831215 5153.469358 622.817229 22266.741 258.8805263 1562.784871 404.2054979 1676.937861 1414.307298 3971.649146 1247.471554 19081.36226 1234.92214 10532.12096 1340.48041 11617.53864 4910.381395 12009.58824 643.8229441 15949.68084 O-PHOSPHO-L-SERINE 8165.162774 19318.4345 13558.19608 21301.94857 7382.090154 29260.29728 9303.955252 28002.68437 13620.64255 15728.94792 18417.80935 19291.47922 17026.57373 23226.60205 10418.48555 24645.96175 17216.62402 15610.92287 14189.72979 22054.62132 11753.87262 22560.48422 9604.009205 16542.75641 10974.02147 25707.00722 12084.13073 24656.31209 9745.502472 11273.34524 12570.18456 24758.43124 17707.10022 30068.76887 8724.732898 20919.78236 14675.84036 33343.91159 31653.39384 21519.42718 11436.47492 20126.77946 GLYCERATE 3-PHOSPHATE 5419.4972 553.4635668 2853.700655 465.5106841 1179.842273 419.7751517 2304.860203 206.1167489 857.5606806 456.4955006 4155.863996 1195.703769 2760.25827 352.7622983 577.0875502 716.1159672 1581.007197 1248.450144 553.0402578 539.0086147 310.0037817 254.0386968 314.3229719 350.0877744 530.0590329 380.0027736 658.5677205 525.4645838 734.6841472 548.4882517 396.7810378 662.0692768 658.753422 439.7309 335.3666272 392.9670559 301.2032024 793.2428823 487.1766204 345.505323 363.8225942 294.0606273 3-GLYCEROPHOSPHATE 11757.44291 22969.33327 16793.38264 21827.2251 6594.662046 40583.57742 14517.95298 10540.22223 13365.9182 25444.24316 17849.39963 17759.91208 17921.08001 35964.98189 11123.80413 32530.33559 18025.78605 14360.24763 13656.42175 28990.25366 14248.70616 34586.14154 10969.24949 23212.84752 8384.304062 9364.479572 11530.24234 22763.22939 14098.35529 4372.725739 11490.48174 32444.54691 22735.52859 45895.57441 13786.0459 40222.50645 10599.70063 30777.97181 27215.53241 27003.49315 11224.56963 30797.41335 HYPOXANTHINE 18103.44507 29098.81034 21982.50661 37115.42532 21633.36467 36827.30666 12979.38298 39477.05094 18631.07682 23384.19051 23320.49968 23891.08806 25292.44886 37017.43139 17128.6056 47555.03474 33762.02605 19959.61077 24179.42287 31586.53614 20859.94269 39431.75835 19021.1868 33072.86622 22627.03982 40665.17351 19641.30546 34466.47954 18629.11161 17869.46457 21834.12921 36184.8841 39357.56139 54250.36362 17141.70499 42095.14454 22882.25978 46136.71355 53778.81364 44335.15213 25238.34936 44535.90218 INOSINIC ACID 703.8757033 1138.620422 604.807699 3154.620841 442.1740471 1509.347201 453.4276708 4662.189043 571.4998988 89.31998021 721.1993982 1417.888829 950.2345103 4091.869544 483.4801763 3589.221208 917.5032156 921.909144 903.4275763 3092.600735 529.7269193 3570.309876 526.87892 1837.564503 980.9074979 4158.242262 554.7962006 1042.655437 287.0585893 1138.987381 800.3454822 1838.077243 1083.054399 5773.677336 887.0702482 2733.643457 862.4973895 4942.580402 2733.856692 3341.388153 661.7311184 4633.60221 GUANOSINE DIPHOSPHATE 435.6050946 1523.630375 742.79403 4266.643912 370.3663639 2115.781063 275.7695142 2958.194112 512.5748224 1741.233042 206.2874484 1320.484945 488.0647959 3206.848055 812.548408 2657.076443 1330.009511 890.1937794 810.0228018 3242.884655 968.7296859 3318.055549 717.5570654 3285.888453 880.6021064 1850.35715 494.8034666 1302.51179 731.5704752 538.3303274 1085.765068 1580.006244 1051.186723 3350.615893 1136.923919 3104.239173 383.8299339 4409.310992 2264.885865 4149.842193 604.7927144 4192.061596 DL-HOMOCYSTEIC ACID 49404.27784 9276.744217 41952.87851 20810.53086 37889.89703 17972.4481 11784.69802 30712.43951 24569.69099 13171.01346 14787.68113 40056.74087 32905.48848 8620.081031 23098.40932 29175.65448 68810.15116 44134.3637 35289.09336 30934.73818 20317.37951 25881.84409 24631.98397 22198.18508 35937.6138 23592.44437 18341.62939 25489.40149 21707.35987 19335.05254 20269.61182 20594.67323 20882.08157 11748.37515 22122.41234 19569.9626 22948.84456 41632.13682 24444.55894 27426.1562 18643.46336 22447.18888 PHOSPHOCREATINE 1037.064146 479.3308276 317.4696343 354.999843 237.4743015 391.9283507 702.5957901 23.74370413 218.7245654 319.5544681 302.4551281 339.5218237 1913.991669 399.6236335 602.7106249 1336.215327 878.2825089 215.8299019 461.8165545 307.9607116 420.3965255 343.7712847 181.1730374 336.834782 1069.999552 194.4981354 1656.679187 399.7390077 1178.191197 399.9509637 387.5661538 240.8341108 831.5263363 240.6271631 310.2543251 298.723773 299.0311834 277.8369572 405.336103 220.9081231 745.0536471 159.3782169 PALMITIC ACID 784254.7008 977754.9889 1147573.31 1363550.609 815097.578 1145667.402 756558.7785 694047.8919 1059324.286 1285415.845 1158046.266 1188384.756 968161.4504 1017397.982 786116.9059 1088600.116 1342593.694 1210757.982 822542.9598 1180792.139 707575.9535 1152281.951 642611.4563 1084540.22 661911.2727 774408.2317 500739.3198 1400445.403 641760.3407 288449.9241 622159.1683 1206394.742 952200.3532 988732.826 507516.3815 941486.2005 679811.7411 1368587.324 1155554.04 1495652.2 550975.7329 1134042.055 PHENYLPYRUVIC ACID 730.8938735 1990.685656 1436.152424 2117.993534 621.0112462 3333.505896 985.9072568 2772.294824 1225.014725 2357.324898 1647.474424 2168.542006 1215.350145 2755.450748 575.4389609 3067.52118 1580.766624 1829.666055 1040.388965 2552.866649 870.720356 2732.895559 852.3838859 1151.390349 1293.664232 1249.538368 987.1434701 1785.194554 777.2673067 971.6123996 873.9792209 2061.970172 1543.849447 2206.935971 745.6982922 1971.402105 667.0135076 2032.760953 2206.459803 908.2133485 655.7470643 1355.822792 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type GLUCONIC ACID 10690 SUCCINIC ACID 1110 TAURINE 1123 XANTHINE 1188 GLUTATHIONE 124886 2'-DEOXYURIDINE 13712 L-PROLINE 145742 BETA-NAD+ 15938971 COENZYME II 15938972 UDP-GLUCURONIC ACID 17473 ACETYLPHOSPHATE 186 ADENINE 190 NADP-REDUCED 22833512 L-GLUTAMIC ACID 33032 NADH 439153 RIBULOSE-5-PHOSPHATE 439184 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 440272 ACETYL-COA 444493 OLEIC ACID 445639 UDP-N-ACETYLGLUCOSAMINE 445675 FAD 46906035 MALIC ACID 525 STEARIC ACID 5281 UDPGLUCOSE 53477679 D-GLUCOSE 5793 CREATINE 586 CREATININE 588 L-ALANINE 5950 ROBISON ESTER 5958 L-ASPARTIC ACID 5960 L-GLUTAMINE 5961 L-LYSINE 5962 INOSINE 6021 ADENOSINE 5'-DIPHOSPHATE 6022 URIDYLIC ACID 6030 L-TYROSINE 6057 ADENOSINE 5'-MONOPHOSPHATE 6083 LACTIC ACID 612 L-METHIONINE 6137 L-PHENYLALANINE 6140 DL-SERINE 617 L-ORNITHINE 6262 L-ASPARAGINE 6267 L-HISTIDINE 6274 L-VALINE 6287 L-THREONINE 6288 L-TRYPTOPHAN 6305 L-ARGININE 6322 OXIGLUTATIONE 65359 D-PANTOTHENIC ACID 6613 5'-GUANYLIC ACID 6804 O-PHOSPHO-L-SERINE 68841 GLYCERATE 3-PHOSPHATE 724 3-GLYCEROPHOSPHATE 754 HYPOXANTHINE 790 INOSINIC ACID 8582 GUANOSINE DIPHOSPHATE 8977 DL-HOMOCYSTEIC ACID 92117 PHOSPHOCREATINE 9548602 PALMITIC ACID 985 PHENYLPYRUVIC ACID 997 METABOLITES_END #END