#METABOLOMICS WORKBENCH efahy_20230425_000098 DATATRACK_ID:3995 STUDY_ID:ST002680 ANALYSIS_ID:AN004352 PROJECT_ID:PR001020 VERSION 1 CREATED_ON April 25, 2023, 7:56 am #PROJECT PR:PROJECT_TITLE Molecular Transducer of Physical Activity Consortium PR:PROJECT_SUMMARY MoTrPAC is a national research consortium designed to discover and perform PR:PROJECT_SUMMARY preliminary characterization of the range of molecular transducers (the PR:PROJECT_SUMMARY "molecular map") that underlie the effects of physical activity in humans. The PR:PROJECT_SUMMARY program's goal is to study the molecular changes that occur during and after PR:PROJECT_SUMMARY exercise and ultimately to advance the understanding of how physical activity PR:PROJECT_SUMMARY improves and preserves health. Preclinical and clinical studies will examine the PR:PROJECT_SUMMARY systemic effects of endurance and resistance exercise across a range of ages and PR:PROJECT_SUMMARY fitness levels by molecular probing of multiple tissues before and after acute PR:PROJECT_SUMMARY and chronic exercise. This program is the largest targeted NIH investment of PR:PROJECT_SUMMARY funds into the mechanisms of how physical activity improves health and prevents PR:PROJECT_SUMMARY disease. The MoTrPAC program is supported by the NIH Common Fund and is managed PR:PROJECT_SUMMARY by a trans-agency working group representing multiple NIH institutes and PR:PROJECT_SUMMARY centers, led by the NIH Office of Strategic Coordination, National Institute of PR:PROJECT_SUMMARY Arthritis and Musculoskeletal and Skin Diseases, National Institute of Diabetes PR:PROJECT_SUMMARY and Digestive and Kidney Diseases, National Institute on Aging, and National PR:PROJECT_SUMMARY Institute of Biomedical Imaging and Bioengineering. MoTrPAC Steering Committee: PR:PROJECT_SUMMARY Wendy Kohrt, Chair, Russ Tracy, Co-Chair; NIH Program Manager, Concepcion PR:PROJECT_SUMMARY Nierras. Euan Ashley and Matthew Wheeler are the PIs for the Motrpac PR:PROJECT_SUMMARY Bioinformatics / Data Coordination Center. PR:INSTITUTE MoTrPAC PR:LAST_NAME Ashley PR:FIRST_NAME Euan A. PR:ADDRESS 300 Pasteur Dr Rm A265. MC 5319. Stanford CA 94305. USA PR:EMAIL euan@stanford.edu PR:PHONE (650) 498-4900 #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Rat Liver Powder ST:STUDY_TITLE - Untargeted Reversed-Phase Positive ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Burant ST:FIRST_NAME Charles ST:ADDRESS 6120 Brehm Tower,1000 Wall St., Ann Arbor, MI, 48105-5714 ST:EMAIL burantc@med.umich.edu ST:PHONE (734) 232-0842 ST:SUBMIT_DATE 2019-09-19 ST:NUM_GROUPS 65 ST:TOTAL_SUBJECTS 50 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CS00000MP-01 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191021-EX00979-A003-IN0028-CS00000MP-01-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-02 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191021-EX00979-A003-IN0028-CS00000MP-02-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-03 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- 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Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191021-EX00979-A003-IN0028-S00042275-90576016808-P.zip SUBJECT_SAMPLE_FACTORS DC8B35E8-4AA8-4829-8569-F223D069620C 90578016808 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191021-EX00979-A003-IN0028-S00042276-90578016808-P.zip SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581016808 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191021-EX00979-A003-IN0028-S00042277-90581016808-P.zip SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585016808 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191021-EX00979-A003-IN0028-S00042278-90585016808-P.zip SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587016808 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191021-EX00979-A003-IN0028-S00042279-90587016808-P.zip #COLLECTION CO:SAMPLE_TYPE Liver #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY See SOP SP:SAMPLEPREP_PROTOCOL_FILENAME MiCAS_SOP002_Sample Preparation and Extraction_v3_20190904.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) CH:METHODS_FILENAME M004_A1B1_0p45mLmin_20min_MS1_neg_WBsensON.m CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% methanol; 0.025% formic acid CH:FLOW_GRADIENT Linear ramp from 0% to 100% B from 0-10 minutes, hold 100% B until 17 minutes, CH:FLOW_GRADIENT linear return to 0% B from 17 to 17.1 minutes, hold 0% B until 20 minutes CH:FLOW_RATE 0.45 ml/min CH:COLUMN_TEMPERATURE 55C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE QTOF MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS See SOP protocol MiCAS_SOP004_Data post-processing and QC_v2_20190904.pdf MS:MS_RESULTS_FILE ST002680_AN004352_results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples CS00000SB-02 CS00000MP-01 CS00000SB-03 CS00000SB-04 CS00000PB-01 CS00000PB-02 CSMR80010-01 CSMR80010-02 CSMR80011-01 CSMR80011-02 CS0UMRG01-01 CS0UMRG01-02 CS0000OP0-01 CS00000MP-02 CS000QCMP-01 90237016808 90229016808 90283016808 90423016808 90560016808 90564016808 90450016808 90259016808 90258016808 CS0000OP0-02 CS00000MP-03 90449016808 90254016808 90416016808 90251016808 90252016808 90420016808 90292016808 90587016808 90267016808 CS0000OP0-03 CS00000MP-04 CS000QCMP-02 90559016808 90571016808 90280016808 90422016808 90225016808 90426016808 90222016808 90245016808 90444016808 CS0000OP0-04 CS00000MP-05 90217016808 90410016808 90239016808 90227016808 90581016808 90441016808 90223016808 90585016808 90289016808 CS0000OP0-05 CS00000MP-06 CS000QCMP-03 90266016808 90248016808 90412016808 90232016808 90421016808 90439016808 90265016808 90430016808 90281016808 CS0000OP0-06 CS00000MP-07 90406016808 90578016808 90567016808 90218016808 90576016808 CS0000OP0-07 CS000QCMP-04 CS00000MP-08 CS00000PB-03 CS00000PB-04 CS00000SB-05 CS00000SB-06 CSMR80010-03 CSMR80010-04 CSMR80011-03 CSMR80011-04 CS0UMRG01-03 CS0UMRG01-04 CS00000MP-09 dimethylglycine 1326.763698 42474.34771 1518.700758 634.7162742 1611.277388 472.350129 56938.53237 62796.13535 68185.63982 75543.53549 7331.596238 5950.358628 67092.71552 50170.64704 35154.80795 43341.57977 38819.00285 39437.89391 41627.93623 28156.77075 37761.68099 37883.18745 40652.40208 45239.69045 56955.58062 42347.46048 36586.42258 37452.00388 35237.46226 35335.58652 38401.00848 26408.50682 35021.6668 41730.08818 37731.0434 53143.9202 34063.77862 37141.70715 49370.28794 36589.71704 29210.96404 45684.74725 41123.02014 35368.43622 43568.00845 29357.94061 40959.78947 57816.83085 44373.88481 39554.9685 41012.22938 44059.37831 24375.86919 36166.51585 47851.24307 36532.41776 45895.2651 48219.889 51907.31421 35890.65989 48891.19075 41322.21054 23614.75551 32866.14319 41537.85597 58288.80071 54054.24526 31954.91418 39456.10078 28532.10698 49980.53503 44876.61077 44018.3998 40754.69612 35657.23693 43546.71241 35139.53223 39191.31495 35061.78209 27901.66063 2037.136644 1142.000459 1332.822725 1304.699908 78303.33455 69768.95989 64609.89953 63940.35797 8241.032404 5396.565425 44953.27706 aminobutyrate nan 56522.20937 nan nan 8915.950611 8257.821863 62215.94703 60602.03805 59035.80936 62478.21572 nan nan 57722.77648 68928.40068 54899.45299 56822.90002 55480.84363 61564.90734 58650.94985 65556.62909 40473.72765 122881.5264 55755.17429 52362.60463 83835.60005 58835.70708 66387.66235 60298.85102 58938.5066 63172.23726 64291.0385 65381.02998 56465.27816 64555.45348 101490.6167 152747.873 54407.53111 61231.84887 62913.04614 149509.6683 108659.1877 64202.73196 55813.27248 117148.3043 105874.96 92797.72772 133875.0451 18862.1381 59410.67922 20791.57378 61379.80762 70452.0722 52430.80318 122497.3608 73591.89721 34246.21335 96870.42171 128297.0602 82621.20544 68947.80767 48700.45179 123331.6986 107555.2784 98741.35157 19451.95046 28920.44714 72147.26664 97274.98252 123593.5454 5978.981748 173455.9895 41277.17886 79693.86207 165773.0714 126871.2086 115437.6843 39617.75526 78733.16826 63951.25605 36207.76714 6437.875104 4280.537765 nan nan 100175.7066 75824.43395 62269.85011 170748.2449 nan nan 63865.88246 choline 42023.40726 3190349.816 47126.32429 47872.14107 45852.89349 46758.28899 2159726.426 2136073.308 1489785.186 1506877.661 6682886.222 6640425.392 5080738.736 3282224.137 3240931.594 2116362.757 3820859.512 4754214.893 2445599.482 3250126.758 10139939.24 3074418.014 1650956.726 2685797.301 5038638.762 3220592.543 2519097.715 2967055.426 3251185.923 5410614.341 6652388.928 2963630.317 2152376.951 7238622.616 3472303.625 5121025.357 3238064.016 3152359.921 5143603.961 4904905.15 2880625.018 4172539.865 2587529.586 2253979.968 5568567.683 4946839.477 3051834.689 4978578.104 3135161.812 2904687.797 4313746.102 1414780.909 3570183.846 7860430.642 2316823.646 2688388.777 5046839.667 2261024.393 5127452.212 3188236.306 3197377.203 6227186.694 4412445.676 2421495.732 3500468.958 2369680.038 4129242.932 2722559.272 1590083.385 2802843.956 5045670.928 3197863.094 2745355.555 6566688.297 5199538.039 4849012.029 5664733.777 4912621.754 3098783.845 3160412.383 51445.50949 54393.78751 65431.93926 68483.35648 2050179.296 2088326.557 1458709.022 1460678.595 6368089.134 6239415.087 3065593.075 uracil nan 396939.5484 nan nan nan nan 358592.0828 352132.946 493215.8891 570370.5087 104987.0411 110604.0346 1851340.991 400771.4447 385324.2312 277247.5982 701232.9614 357460.8041 296052.0114 382090.435 373842.8783 445161.1809 354832.4009 314229.0027 1777054.325 391345.6636 185109.8814 206199.5583 316109.3849 331163.5396 655978.6158 430950.0794 199333.5275 333597.5684 317364.3255 1687449.323 388504.3553 398426.4949 518763.9937 360509.5004 290344.1466 305130.7633 289725.8267 353876.8645 513386.4092 301078.9735 301613.2092 1669673.58 412447.6685 806424.1736 339975.9997 223414.8767 556027.8157 425489.8945 465110.7818 475342.2446 325758.6626 271002.1551 1732614.869 403116.6037 416993.2687 407741.8866 369607.8931 408489.3968 477282.8855 378766.1313 398817.4806 514347.0834 245882.8933 274642.074 1659629.905 411959.1038 354210.7948 469737.3293 426830.5642 395079.0453 561395.5704 1634149.371 412898.818 405116.2826 nan nan nan nan 364649.7782 346448.2991 458304.5656 542115.3935 103840.566 107087.9786 388216.0281 2-acetylpyrrolidine 22123.40402 63220.60522 20456.23335 23192.48531 62418.62534 67502.36243 41516.19285 71878.41576 85944.22314 85724.27914 45871.06347 57318.55848 1043415.915 72422.04093 78593.58344 5451539.194 2846007.489 2266996.508 2012820.026 2044929.262 1722147.928 2210032.058 4062098.969 2123894.521 1369940.318 65306.17127 2898921.439 1708559.941 2485275.335 2322984.442 1689820.071 2773006.948 2401380.667 6368922.421 2850857.781 1396321.588 61410.67667 52229.72237 2098390.677 5754866.431 2196630.125 2438769.457 2966973.266 1814046.648 7586723.59 2612593.914 3427664.022 1376545.704 57899.06173 6583705.448 6494687.22 3682037.989 2128196.234 2683385.276 6310328.862 3978437.476 3748808.943 2019485.535 1226799.87 58391.99229 53563.92878 4930710.041 2238583.639 6979531.04 4473370.8 2527111.285 4880790.601 6431030.687 1945011.543 1885980.184 1183769.255 44986.80131 2138226.723 2867948.239 2573785.504 5047514.142 3142499.593 1291239.919 71609.2964 55984.97361 69047.36714 63022.363 26927.68537 22475.71237 66783.95925 87807.55487 93168.99063 100498.1458 58129.82746 62357.7468 63359.05723 proline nan 1999986.867 nan nan 26287.36577 22326.90961 185229.218 439257.391 2762179.042 2838516.674 197690.1188 177795.1637 657324.6654 1882796.817 1487325.342 1037391.147 1248457.893 756080.339 1298111.179 1204070.066 549607.6258 1020810.107 2506954.753 2123742.028 637847.2913 1908951.087 984788.551 656130.0148 1016279.032 878030.5872 1001711.029 1673573.296 969791.8508 1014354.525 2023516.856 927666.0443 2027373.232 2079356.026 1061852.209 613054.6807 991296.5905 673880.9054 1509612.659 961303.6399 1284801.067 833237.0958 603764.5872 320706.8344 1520430.073 1590201.791 1499719.914 1256303.37 1374641.097 120081.928 1219787.92 605152.0869 653525.2643 692137.5111 641085.5784 2075869.52 2045843.155 918083.0016 1765378.766 1521562.253 747558.435 888976.6082 682204.1203 1623878.308 1204034.426 1108377.708 767082.721 1998282.926 1210582.56 1333018.787 1108419.568 495892.7519 901103.2232 450964.4313 1174279.606 1506545.514 22517.12293 22348.13934 nan 7721.585371 253274.0865 1443933.571 332854.3485 1585288.625 177522.2257 186840.8105 1301829.091 trans-cyclohexane-1,2-diol nan 8584.740036 nan nan 10069.40986 11171.47445 10687.32748 14929.90914 12040.70793 15625.89101 nan nan 161851.7254 6012.874889 7309.030461 31953.8656 35037.84808 52336.304 36854.10834 12847.33551 11855.50416 25537.02508 34171.21558 46405.34787 112771.8037 5567.856865 23111.88973 24332.17046 27320.92524 35382.14624 31262.67477 34520.34366 29605.79546 4535.092777 20626.65939 120054.8557 4936.665903 8703.77383 34376.71086 12077.45987 44612.60213 45570.58437 36235.0787 28039.67531 46140.64808 27891.66877 29050.59076 111536.395 5941.404687 68171.99525 22823.70931 16049.25009 57493.78711 5571.942885 39349.0824 47838.10648 17463.25903 40614.88962 119473.7441 6177.404212 5901.678445 16233.13208 32559.90227 40332.1974 40102.22372 56990.86339 56324.95128 36214.21854 34066.47488 36250.53811 123858.5096 8088.497445 36838.89555 12714.89043 16877.65547 47198.05732 22848.95283 120690.591 7396.922281 8133.39988 11522.4302 12771.89215 nan nan 12712.08478 8230.849394 12116.31464 10034.22628 nan nan 5471.087351 valine 7763.655716 6948718.16 5763.796436 5612.095638 6244.786132 5442.388276 4151137.096 4179078.362 3671728.398 3643161.186 5808646.755 5445039.864 8798068.161 7013795.445 7038999.794 4789357.633 5226138.843 8093291.267 5489290.409 10708786.75 14813800.63 7243524.956 6729951.642 7577478.648 8981300.018 7078981.85 6118412.648 8773040.232 7293650.624 10904095.39 11522288.83 7736501.399 5795725.572 11590568.2 8692525.313 9093335.985 7130708.699 7016483.83 8919188.799 9536436.274 6362417.804 8214526.265 5182535.632 6052512.708 6296073.647 10219331.34 8712524.919 9220167.348 6982302.017 8343149.024 8942386.519 5346387.32 3871471.963 13588143.97 6162409.259 5748353.797 12099434.96 5599818.268 9186910.077 6903539.516 7059125.89 9576989.05 9784513.022 7052294.913 5529534.954 5977422.528 10213135.41 5585457.47 4227653.497 6342528.414 9138479.734 7084078.689 7034487.174 11957145.78 11725245.87 8383283.329 11445206.52 9056131.581 7053197.674 7107189.705 9250.484929 8285.520366 8885.271934 7284.325241 4395709.39 4282870.786 3726059.989 3737233.288 5276823.548 5331813.676 7083641.504 niacinamide nan 10807915 nan nan 8493.885009 nan 7879412.208 7813078.003 7433820.985 7507564.945 69162595.54 63976927.98 41166093.62 10597366.96 10463905.2 6672953.969 13881732.03 7526345.802 6409686.55 9337299.363 23117561.81 8882591.668 6289983.292 7639202.553 40252743.87 10024638.33 5065317.62 6402807.986 9041885.65 12105680.58 18618835.11 7653629.386 4635638.18 17857199.36 6035255.57 40135384.14 10162169.82 9790305.487 14663562.24 13155116.2 8144421.598 10601032.4 8985928.796 5752900.384 15725232.11 9044376.285 7696797.95 39766465.27 9900570.366 9464258.451 8370578.199 6602406.166 6314730.635 26926191.8 6595115.782 10708648.56 12685017.75 4308618.558 40564273.48 10107739.8 660480.1049 10380854.37 11713330.9 534726.9114 8778354.572 8228258.068 10522910.63 6115519.006 5291548.283 7121620.437 39580091.99 10145802.48 8972482.642 13111585.77 15368734.21 11209741.19 22168386.98 38929739.83 9974396.601 9982566.019 17962.75005 12063.09785 9341.953439 nan 7476588.234 7453953.953 7041373.462 489986.6395 58978692.57 63885123.18 10141144.39 pyroglutamate 2371.430792 1759072.389 5735.664102 4256.864072 5089.583748 3493.889605 1247093.848 1125107.338 1480930.233 1522237.442 151094.6319 147421.6857 1282801.363 1847820.279 1841615.346 1743726.304 1707222.503 1709372.611 2285211.136 1410376.068 1120199.149 2100192.384 2900823.297 2725073.375 1197585.579 1669974.924 1749358.6 2085600.453 2295824.252 2005325.521 1720872.757 2080032.242 1927254.303 1083311.149 2869795.386 1168362.681 1645522.701 1785148.364 1835963.951 1329698.181 2213027.792 1639603.991 2080772.01 1693324.24 1994652.953 2062855.623 1830502.622 1126289.534 1725148.671 1935544.239 2145468.827 1924236.211 2674187.512 1069091.23 2085577.897 2127762.385 1935927.961 1949278.525 1212218.732 1846603.622 1681176.218 2031011.176 1806301.776 2919719.393 1944070.567 2277107.098 2126307.353 2533005.113 2132740.16 2293227.08 1209467.73 1684686.554 2688940.802 1718079.372 1696089.108 1621839.15 1705123.731 1118170.365 1577639.749 1616515.079 6065.920971 4569.572416 6449.786883 5211.650962 749238.1028 780465.5077 1210666.594 1231065.504 120080.8087 101734.1474 1606361.339 creatine 6641.944023 2731037.548 6512.182156 5981.978898 36554.00689 38643.64162 659245.3797 672943.9198 673298.5541 688489.8852 16394535.2 16732441.34 996062.8333 2840305.196 2365194.587 186899.2057 381237.2204 374308.5532 215057.3847 380750.8808 650597.1458 223445.2471 538348.8918 586036.0871 1352001.166 2760077.253 236025.4541 243379.3236 575812.9076 413161.5335 695877.2128 698731.5043 180349.4566 983405.2705 660516.9777 1509202.027 2897350.771 2885913.528 720673.335 412862.1516 432519.3934 299015.1427 448490.1425 235982.6259 672654.84 296614.4254 157757.0186 762975.6892 2422013.517 331852.9487 774126.3245 203757.1115 259150.6383 1374684.864 282689.602 159673.43 374865.484 152963.764 1154258.337 3042682.991 3072847.821 481101.8939 507314.6847 453462.563 259185.511 215868.6391 161809.0282 353756.648 216230.6984 254736.6029 1536356.898 3135935.708 515942.5158 768596.4952 580942.0637 196663.8774 652628.843 962831.8843 2119923.145 2550082.31 44619.08261 45054.42383 24661.79615 25332.12913 393659.4692 577822.2877 483918.4886 498710.2343 18119672.58 18388260.17 2449612.614 Isoleucine nan 182931.947 nan nan nan nan 191947.2723 200395.2606 195790.2107 197192.1104 169879.0574 174128.0872 203824.076 185936.8818 179384.3409 180404.11 203351.3264 192627.4639 191455.284 182004.8477 186000.5909 198702.1382 202256.9522 202209.4976 193986.8502 183191.2948 187591.5934 189551.5628 199144.676 195765.4912 199722.3051 199991.3774 202476.7814 196245.4859 199648.5662 196835.8482 190862.4988 192648.5284 189475.8008 195868.8976 197943.5326 180728.8796 192378.5265 193974.5762 209179.7826 195498.6474 203454.6612 205544.152 189101.996 200609.6231 188433.353 189550.5763 204399.2309 181931.8066 199671.3303 194136.8094 185671.0537 190958.6539 193005.4422 187921.5995 186187.4474 185596.5561 183164.3088 194989.0615 203379.1706 190638.169 186268.2352 194951.8228 193170.3043 191238.3964 198311.4238 174927.8166 191522.8223 190824.3224 185863.8909 192168.2523 190853.8265 191181.7166 184263.5831 181057.0382 nan nan nan nan 193798.7623 205267.5858 203903.2244 206828.5353 180452.897 171082.7318 190445.3784 leucine 1763.821885 449197.5075 1432.48239 1347.26822 2254.058822 2254.936916 425178.2663 424402.6452 428703.991 423606.3168 478186.2797 473555.0225 422152.3702 441161.9484 456483.4314 435226.2278 424949.2111 446895.3218 453513.3264 444109.6571 451516.1102 440977.3976 435387.2546 435032.9346 437506.1734 435896.0404 449289.3052 443067.5636 437419.6631 440495.9042 426172.0265 435894.0669 443965.0364 442054.6572 444253.3313 427645.4163 446376.3233 434407.3506 445753.77 435999.5058 438380.2435 445965.6143 445684.6416 438526.2645 433323.5229 449450.9852 430842.0512 429763.161 444268.6591 431792.2714 448611.8447 432472.4084 432671.5239 440318.3156 432800.8402 443254.4741 440369.4019 437227.8166 430928.2422 437722.8982 447004.6476 444084.3901 449758.207 445436.7454 430484.9582 430275.0748 442472.9509 459884.7545 442675.1433 444889.5047 434265.4911 451490.4641 444267.9189 440301.5251 445199.0259 433038.4553 444260.2149 442993.2779 441203.5693 451784.5591 2079.472573 2047.070612 1029.888655 882.4908121 431077.8023 425933.0824 425109.018 442645.0957 463788.0678 469627.5448 442425.8013 hypoxanthine nan 5006367.458 nan nan nan nan 2947058.815 2857101.344 7739371.526 7741514.055 3707231.981 3672163.212 44840678.46 4905800.516 4955398.921 2264724.067 5913716.74 7292817.08 3065092.174 4951642.456 5958147.095 5429799.315 4700990.604 5099950.305 47686168.58 5026680.369 3112267.396 2484032.806 4137330.047 5909281.269 7776998.104 6200428.444 2649102.549 6787148.464 4834909.813 49223326.15 4888263.342 4978237.744 5944888.078 5107747.374 6266786.494 5058797.011 3456009.429 2417569.598 4009890.142 3267966.284 7466242.207 47986421.52 4835703.063 9296715.057 5908288.959 2612611.866 5254013.688 6178767.372 7274273.207 3997114.192 3578744.838 4214279.436 46502062.02 4873587.829 4683538.513 4774674.608 4166289.558 3089235.785 4743877.641 6883881.883 5560996.32 4183257.264 3361612.589 3709071.366 45205479.88 4877402.903 4401182.275 7255922.774 2782829.653 3919884.816 7371453.298 47239499.44 4817954.266 4900445.026 nan 7032.956154 nan nan 2848744.248 3095941.363 8100541.043 7975788.373 3818243.196 3799386.856 5243756.192 spermidine nan 34172.99621 nan nan nan nan 155407.6406 158222.8755 137866.5451 141154.2484 91482.26583 99761.21438 179550.9916 40149.45277 41285.32354 239369.1686 138051.7339 189210.4549 207308.2525 212772.4402 125605.7451 248212.9547 153199.7984 106650.7264 160292.0014 39537.23536 216378.2823 181059.7954 104538.6944 149257.8129 121829.0999 151632.3592 185215.3088 96589.0163 167267.8334 150938.6456 38526.96889 37680.47572 173456.8858 133719.2038 173214.0752 170876.1679 137340.7584 170633.8986 143504.9526 133669.5814 192974.8407 147256.6595 36937.18056 127008.5626 173132.7824 176533.0098 232282.0937 124904.7318 171848.7223 218021.1245 233994.0053 201226.4912 148636.6526 38470.91521 39516.62618 82878.83212 125285.7383 145795.817 175049.8983 230703.3746 197824.0568 100752.2089 157689.0194 207778.6712 143012.3417 38965.39065 125135.4933 148173.5716 108108.6205 209497.9172 199136.2609 141566.9422 35264.23887 37786.42993 nan nan nan nan 132705.1058 137297.119 124671.4232 126853.2846 76705.44217 88992.97986 37508.37167 adipate nan 1095095.612 nan nan 1277799.603 1292755.552 1293589.159 1258463.322 1130988.825 1154552.373 907860.8106 895795.6328 686909.6329 1239049.228 1222920.069 1120636.795 998796.0014 1002361.319 1372660.437 1070495.708 875495.7977 1188455.052 1410166.963 1345907.944 601580.4871 1134408.007 1009007.359 1194822.738 1163984.796 1144756.8 976585.3373 1114255.423 1138458.124 1048530.128 1498626.436 614271.5006 1167166.082 1186854.33 1143423.579 1111734.23 1161438.411 982766.0185 1053820.897 1130901.946 1007131.745 1145378.038 1016187.477 607958.5168 1188077.041 989218.1631 1191785.267 1231776.037 1221672.248 1023215.516 1239672.435 1221293.188 1158623.701 1231261.375 634109.6971 1233130.956 1180985.181 1135865.293 1215000.034 1563158.829 1036205.333 1351916.248 1149000.19 1413952.264 1183662.485 1336435.728 639070.9036 1191247.673 1213452.638 1202380.692 1376364.826 943296.1103 1203584.404 621706.0833 1202711.226 1211128.648 1066914.719 1085349.745 nan nan 1184957.041 1229961.558 1149699.652 1170533.012 812404.4111 836023.0115 1189989.658 glutamine 1777.107269 179959.9479 1374.72014 1307.839886 2227.908522 3181.607603 71864.50873 70024.40006 197849.8886 200359.9417 55103.5461 50721.92787 113620.8159 166079.7446 162454.5471 230148.7207 185826.9606 249848.7522 267785.5415 254235.229 100054.5041 294594.7998 262220.8702 235459.8831 113004.221 165510.2317 275646.9891 135769.2515 180906.6947 147142.942 199248.5927 232669.8467 270666.1916 116412.3849 187001.9789 113253.0823 173860.465 171183.4633 206880.8391 129808.4799 399428.3371 163691.7759 207867.8702 346871.4505 100861.9802 166967.9652 178217.727 112346.5795 164769.7868 158637.8053 236057.7625 334264.3951 178713.9993 112922.4695 257750.5162 224246.9523 159089.8552 268182.6194 111333.1323 174054.6229 171348.8316 171878.9442 225076.4443 307479.0418 201564.179 202338.0408 310755.2655 220601.3012 356091.7337 292859.6981 114902.3541 171295.7959 208335.1663 195933.1407 135811.5946 150972.2726 294129.7428 112674.6265 173606.9625 176531.4926 2632.823147 2859.700328 1172.13285 1314.325219 78471.77751 76023.69639 219559.7863 221582.5673 57687.16551 59351.50178 178732.9996 lysine nan 17743.61887 nan nan 14990.06759 11659.55443 18500.8854 20892.07148 13734.8843 15200.87697 11488.23833 12533.37069 25099.67523 19058.35721 23409.82914 9446.436738 10576.32251 21127.44799 11504.83423 11214.70543 25007.14237 13266.64114 12982.30596 15577.42737 26689.52528 20499.79493 14188.73113 14854.68442 17305.50018 15785.25736 20255.2712 16251.82469 10722.70269 28638.73435 16739.55708 20162.88677 15135.09786 17443.27518 21309.52185 24772.49665 13319.85055 10824.97328 14590.5958 12142.79823 18313.05766 15877.40634 18332.47 25262.66556 17390.72929 19292.45986 17578.69088 15776.6499 20119.81132 22117.04657 10999.11534 17129.72453 19409.84208 14995.72782 25200.18589 21039.21735 15827.82778 27996.6887 12618.97497 13112.12147 12299.79326 23548.57521 17511.16628 14562.6312 9857.787222 16322.56518 19804.2074 15617.34555 21929.92553 19640.58459 26408.51659 6820.866663 18020.72843 21221.19083 16252.9638 16402.1349 10149.98915 9070.959479 nan nan 23238.41249 20023.22732 12201.83378 15726.23508 10985.00614 12361.82313 17256.92847 methionine 999.8987323 68521.74771 1933.360165 2101.911644 920.1770938 803.318024 64095.65194 68444.67682 58891.95942 52364.67175 45614.67008 47657.63876 235646.3625 75687.2775 74113.963 56518.11017 64306.41113 54810.6541 46765.74848 44178.15204 72382.13373 51092.08035 44328.8073 51667.48335 251955.4843 66163.99113 59064.84345 43706.55126 36028.12903 56009.8069 76927.92254 47012.27244 33708.85365 103342.1108 46247.96064 246556.8461 74366.56438 71277.58338 42331.04826 62883.94713 44221.21255 52232.67675 54302.60318 51192.63297 57242.21868 49464.95011 44287.15517 270573.1959 70368.29856 95820.37667 58490.86356 60729.79385 58826.50509 65262.75134 60804.26326 59096.00599 72461.91419 69958.96924 279687.6558 66360.44361 79039.03373 85170.08762 48904.18094 37591.96372 59129.84052 116702.5317 59062.75699 64419.06414 55257.54674 51185.69194 305537.0624 70697.32257 52115.03438 81938.23036 57845.33185 56425.15924 68309.16242 275876.5644 75348.61393 77438.42756 1530.514038 1945.87447 1293.865354 1544.586816 69265.63424 70037.37699 65283.95773 58712.85149 46968.60377 50564.22819 65562.62425 guanine 1628.672596 1019787.354 6929.917886 5352.955674 4400.488594 3783.319281 1180063.483 1260085.854 1022681.097 1029034.046 59334.80862 40895.98881 3611170.406 961805.0379 966271.0887 610370.8595 1273159.693 1210144.759 794644.4282 1090176.835 2124367.586 927588.3074 702053.2537 821233.0731 3999720.558 1085441.595 769243.6239 698046.4051 969663.9742 1216115.047 2393237.155 1192376.55 637571.888 2556016.3 926277.7814 4142392.266 1070270.279 1076441.43 1679612.933 1275777.767 836081.265 1158271.216 642208.2607 770491.9462 1076548.26 1435034.83 781368.7101 4113899.761 1021519.653 2158610.285 1374866.724 589546.2157 812525.9956 1473415.665 1052473.919 675586.4902 1159019.997 728369.5752 3951118.691 1038527.434 1011189.484 2159860.322 1163285.779 861011.7386 893206.135 1166031.647 1166778.647 1078912.274 548869.3477 606979.0412 3893659.865 1042273.356 1097283.03 1780099.623 1584194.268 909291.6042 1619888.755 3978716.719 1033049.096 1037956.62 7375.750148 6804.074112 5353.492503 5793.531634 1396878.409 1417743.933 1068611.553 1097305.325 54659.18709 58502.13126 1006396.753 FA(8:0, 2-NH2) 1716.983453 13283.28746 1181.797904 850.1912465 1769.142772 2052.832952 26503.41721 26611.57489 17071.40209 16968.67092 50374.42543 44782.13179 20149.15495 12434.02408 14145.94026 15508.6107 19590.52683 68435.3708 12326.09717 5325.687684 13807.39137 19473.95489 2981.26969 3756.186733 16098.69293 13554.30782 11010.50057 3743.5129 3244.666667 6711.293665 12120.17862 4407.367891 28492.30033 9566.395255 4633.37559 16307.55444 13657.19025 11469.65293 5303.747916 6236.354228 51796.2025 23208.31807 10063.02017 12973.24293 12995.10193 6606.066582 14517.39804 16362.86481 13516.24781 17539.68531 4738.859162 13143.94554 8963.210275 8978.423811 13255.56629 10776.63978 8570.764145 32039.41836 17423.83865 14307.5048 12652.09517 7173.776579 4531.381601 2488.391834 20774.69942 17441.65339 19053.9851 3190.052261 12499.68509 45397.05254 14922.68285 12929.2033 2636.283329 6620.827078 5057.787773 16015.6243 8238.186399 15908.64019 11442.44715 12616.49161 774.9398351 923.3666149 917.5013849 483.3526008 21922.44704 23438.37262 15492.96963 15022.14424 44812.03853 48500.59636 12734.11833 S-allylcysteine 1013.076565 1888875.74 1037.350701 352.8469995 1527.29755 1859.63917 1553560.741 1622032.391 1391428.221 1450396.554 80090.8992 80320.90443 3220096.71 2073735.096 2082206.868 1213914.016 1424061.204 2008346.778 1425452.894 1179756.595 1659551.759 1552338.027 2610025.752 2808141.591 3038637.49 1913271.633 1797780.931 2848105.658 2758914.247 2906367.777 3339685.662 3479360.923 1587411.457 301538.1094 3722265.469 2874628.956 1880171.602 1869588.993 2121811.664 1439149.22 1564254.211 1727935.447 1716565.302 1024377.614 2921406.468 3128522.37 1955028.779 2732280.32 1823351.11 1974962.09 2832324.746 925511.1887 2334504.829 815150.1096 1803762.251 985333.2329 1881236.039 1496485.345 2693001.725 1825525.75 1812708.079 4001198.44 2077670.816 2139779.2 1752965.251 1618755.382 2058369.051 2625733.246 989086.0961 1798794.066 2555904.055 1785441.901 3368873.667 1823433.75 2028752.284 1879244.271 1202726.849 2277841.629 1671669.053 1758030.389 576.3138506 1365.975785 824.4900493 998.4577999 1282289.13 1242367.578 1135712.885 1139284.894 53216.28571 53558.98157 1589498.779 phenylalanine 788.4768144 35965.5953 970.1470955 344.070071 106.6339609 736.0737229 24532.58901 23075.93452 20562.10784 18893.7251 29313.01855 37973.87074 159747.1318 39917.26014 34638.78452 21940.53826 25014.23856 33693.06194 28040.86192 40325.62585 64230.03478 30283.19686 28166.20098 35484.42456 166308.7494 38975.13404 20423.22503 28678.45617 37451.12808 36449.40311 68884.40275 37998.28761 22010.95138 59112.61508 31545.40135 151268.1076 35860.82117 38445.19595 57289.85518 46887.22147 25613.19905 29703.46274 22979.45211 19491.1384 24438.01561 55656.46513 35161.57268 161471.0876 38944.6606 38406.74184 53947.79148 19478.06705 28615.27055 49898.85726 39232.02052 25178.11551 67092.15781 27012.98898 189883.1897 38302.12318 38954.22451 108544.0899 61277.36317 39463.83043 29769.62683 31956.49225 40296.22538 61930.69853 21054.45947 26285.5839 180439.3354 40657.50007 47618.26656 77972.73477 59626.90869 28246.33232 66193.02593 174382.9347 41618.13708 42508.44453 734.4722968 471.6845697 809.3893454 387.2345456 24865.69038 26575.81986 16828.99835 20402.09236 24928.43219 34324.87663 41675.06401 urate nan 494839.8843 nan nan nan nan 355798.4446 346014.4384 405134.9881 406707.845 2550133.116 2417503.428 467851.5296 478287.531 468107.4383 122199.7272 332198.3597 956085.8905 245409.2179 842341.457 550648.2311 407965.0951 405228.6682 449031.4861 463956.5694 470378.5214 296510.8149 473466.3005 510805.8742 1062066.835 973313.3964 587223.1396 174962.9894 598867.6927 552325.2559 466911.781 489912.5438 471298.3082 1216954.849 823938.0701 538504.0941 445382.8503 193584.0124 226783.5055 692465.1715 428347.1492 532543.1559 465105.7516 492050.2243 827297.533 726544.4608 113489.6054 641575.5042 1109506.559 578571.1122 332309.3837 850120.1216 340941.715 480569.9611 504599.5595 495157.4453 459300.1852 482023.0087 439181.3991 456846.0831 466221.1877 772591.8502 528735.4034 175968.7496 318887.817 492240.9629 511849.7 430523.5742 897675.3134 663439.6991 638854.2939 1971343.785 483270.3476 500122.0545 515986.4557 nan nan nan nan 398185.5265 413012.5133 472004.6866 478095.8126 1956238.402 2007899.325 517258.4982 pyridoxamine nan 23023.23805 nan nan 7259.738586 7018.302799 11936.72983 15633.17206 11070.59757 10571.97455 8525.3619 7623.349093 28720.70083 23817.04418 23774.62412 18810.21388 16206.84235 21355.12247 12194.11138 28396.26784 39230.24053 15750.97413 16307.12654 24741.83187 23196.35826 22869.12258 18902.83891 20905.98241 25663.35449 27923.06672 31820.57241 19029.35658 19921.86422 43709.12199 25704.38303 24107.62389 21153.61011 22498.89045 28965.55971 26596.79855 20662.09767 14138.5223 16422.35391 19841.28176 25399.31998 34517.81541 12317.35209 22874.23808 21105.58257 16693.67357 33523.96789 17244.8136 19642.55678 39221.91408 11861.76143 17415.56009 24324.13567 14887.19488 23670.73497 27570.34083 23508.56687 34253.5535 38222.48504 20910.94597 16995.33811 20570.98051 18162.27929 18970.3811 11676.05721 15494.45278 23663.74042 22827.31542 28992.73108 32527.62098 30246.05929 15163.48778 24389.5698 25074.2943 23345.20997 22668.14484 6882.563514 7129.929439 nan nan 12507.61367 12993.55625 9532.671629 8349.107279 6615.413254 7968.277034 23325.23314 N-acetylleucine 2027.345969 14030.47799 2137.839361 2106.721577 3358.472833 2777.535641 7905.68367 4476.434908 14184.17603 23337.65693 8655.896885 6237.642411 1909.708519 15109.95543 12482.09582 14696.50882 20063.58162 13036.19525 17972.7415 22561.68438 15867.11732 23833.75476 23445.82258 20025.64357 3394.162125 20493.17105 15630.02729 26294.67514 36298.74361 30418.18668 17580.58858 19517.50107 19961.31794 13844.04014 27484.75511 2565.117593 16230.77635 17929.44073 20871.62868 27070.17649 11716.07997 29198.42489 15445.84404 19230.11014 28444.65325 33229.23248 31889.60786 2425.693384 18489.3643 25603.49954 20691.23398 14706.48877 20389.6589 25589.33369 19754.44543 15183.62472 17383.50327 16902.51035 3589.327356 12739.01694 12990.17969 16242.29313 19919.28228 25611.63618 22530.63075 14386.8701 13279.70968 25611.91721 21257.11711 11591.59754 2721.706285 14891.35433 24703.63509 16764.49766 25279.17341 18030.4758 13828.75605 2532.827639 19241.94355 16542.85071 1349.834534 1674.363701 1032.79743 754.3758501 9122.987613 8466.158504 17494.95141 20659.02009 9020.213981 7045.016733 18499.43071 suberate 5109.155402 27242.2375 6652.465776 5776.854406 5827.807484 5586.797545 63888.77044 61678.13638 53500.17091 56215.70259 7153.115223 5905.736412 41016.33865 37012.21469 33697.28127 32271.69065 32291.37986 48098.06865 48097.59408 6508.020308 8136.15558 37049.07499 6109.626643 6072.308067 31415.75355 21756.49988 38717.53261 7022.019836 5431.074137 5579.497906 6891.541668 6154.346656 34016.38335 6920.468394 7959.430932 23442.12624 27031.56047 25278.78864 7284.602752 5160.360075 34834.2973 50938.74102 50796.8059 32642.12705 28270.27254 4063.292605 44635.71999 31431.46484 25420.7323 42535.85882 5831.684488 34044.0959 48598.53876 10630.89855 59412.14198 71027.042 9464.693496 46614.57409 31154.31415 23894.48159 36139.92279 12131.39636 4297.399772 6868.463295 47075.14254 84984.75006 61823.54631 5509.845254 47727.23231 86149.16728 37051.16111 31430.80174 10695.64147 5897.120307 8689.400704 50922.21647 7950.938988 26240.44727 24887.37664 25671.44226 4119.644601 3360.687408 2763.483267 2795.235796 45686.59302 46744.5434 43013.39402 43636.43553 6347.461913 5963.206575 21871.51431 indoleacetate 1130.1731 14765.59413 1102.123006 1603.645245 928.9190022 1955.848877 5082.093772 4776.545832 4627.513599 5397.491133 12338.15787 15389.94331 16647.40659 13734.596 13623.74356 17335.53943 18286.07876 12425.23689 15189.50474 11359.28665 28160.46522 15514.637 13993.56727 13285.46934 22251.58276 18102.44679 15310.70962 20971.68358 16045.71959 19287.44064 21934.71375 11106.32087 12888.66076 15674.74925 25380.0121 21494.05414 14391.0972 16122.59832 13658.67354 19280.98999 9858.915411 12748.12863 14740.84498 6671.394597 19756.25985 16796.25584 12121.3239 20469.95464 16744.67156 14291.11155 17981.04296 17744.703 24559.88683 12303.30427 8349.090595 14157.88987 10483.20109 20547.20723 21303.93808 15136.18271 15631.31674 20957.19286 18742.03463 19260.61797 19291.28254 21969.68322 12070.04331 20605.88977 9618.573612 14113.9066 21853.10558 15376.24353 20230.01261 17885.15264 14720.19428 17258.81902 16647.2683 18902.48243 16575.2251 16068.80246 585.5424724 1298.177875 1379.206411 686.5226432 7819.127957 7618.547736 8103.504504 7980.263648 18488.85787 17764.35874 18859.84047 serotonin 1778.748112 58808.85835 1415.511285 932.788407 1224.075759 1811.881676 47049.71445 43398.92062 66646.17173 64483.28627 12106.80401 8821.470811 49046.41447 59077.528 52338.5733 45723.23796 62331.45274 43102.42683 40012.76222 44903.25551 66402.49367 42377.79194 63508.10162 57200.8312 62404.81876 60793.98282 52486.5622 55924.32225 79892.776 51951.93787 65068.40207 63016.69608 48181.35475 54027.39349 81585.03206 59956.57063 66162.74548 59682.55508 59475.65939 53396.94899 63464.05955 50702.58042 41207.70675 50849.79842 63079.32561 73834.27693 54645.24484 58177.62915 54608.96839 49749.88314 75296.75599 74052.64615 42286.51053 66258.09305 46551.97316 47804.13414 80105.48118 45830.34137 66787.8049 51282.41421 55541.92814 80924.42383 46721.41305 55949.42552 79473.19384 74825.34026 34387.00866 72709.01144 36163.90284 28158.76484 57348.38228 66974.86814 187659.7329 54604.98507 67168.51985 59950.50016 43132.99454 56090.62386 60837.62856 58895.33912 1059.221991 1915.705382 445.3721039 1038.198836 57427.04345 50556.32331 69354.71777 77041.07123 10755.62354 12111.66893 61062.92752 hippurate nan 9528.814914 nan nan nan nan 7769.10043 7960.701048 12797.8112 14059.3042 8118.559506 4642.277114 16428.28518 11306.13938 8840.699633 14696.34714 17841.84027 7333.489201 nan 6474.946744 nan 6903.08751 18280.80668 17468.77488 11814.80988 9004.301857 15111.18811 19455.19961 9383.603717 8181.339236 7654.375145 12988.42584 11477.49584 12885.49471 48078.28043 15427.84835 9314.876323 8820.005132 5933.920592 7100.795045 11438.71888 nan 6591.725861 nan 8646.645397 9164.978193 9008.863782 14791.2945 9470.072912 6196.285879 16595.85215 4375.086761 11127.65252 10300.32036 10243.62792 13047.65842 7473.330959 11006.61878 15690.15698 8122.054839 10621.62547 31656.27021 8749.902816 13121.35137 11120.41947 8113.238018 6946.876468 16793.73716 5614.835114 13330.47278 15573.93798 10929.25607 11253.32965 7625.789402 23338.00407 9992.162141 8696.69892 14569.04738 8872.718017 10057.97651 nan nan nan nan 8702.793131 9602.652459 9903.933503 10615.55021 4345.360862 4919.651729 10612.56438 glucose 29075.67351 242327.676 24176.26442 25922.13654 20070.06449 19175.30309 146798.5842 149402.7023 183251.1882 185766.1552 30709.071 41438.08345 182360.3332 248570.4872 243508.1945 312157.1054 297916.704 538885.2183 241331.3712 393260.5925 164074.9165 319345.5218 187133.1765 270934.624 172498.7368 230649.3079 300380.603 276185.7323 360387.4206 488480.4838 270045.7372 295338.6686 316071.6002 150113.858 295458.4324 178397.2503 236199.2685 233730.403 391023.7793 264312.1544 494014.4705 348989.0197 180935.2731 305694.1208 395742.5381 241201.8212 291986.3095 173161.4064 234913.9661 360275.8479 371689.2834 173957.4369 296795.5042 315079.7357 289133.6703 219910.0923 309956.4012 204430.5842 179193.8317 237251.8457 231216.7818 131893.9908 305404.1885 317677.5453 394732.7542 237911.8694 294793.17 261589.0375 220198.8984 224684.68 177666.0594 228911.0599 283987.3453 257866.971 198089.2652 320529.9813 642721.0448 170394.0076 233368.7781 224928.1361 15599.88484 16574.35068 25717.1543 24149.93971 146636.5534 145180.3143 175565.5449 175839.4968 29750.28892 27728.93787 239306.1242 1-methylurate 2384.895836 23029.73962 1949.036461 1382.54473 2487.259852 2627.456317 28300.61188 23903.65952 30349.38412 29905.66834 3972.339078 5088.450452 17696.91656 23579.61432 22004.57855 24051.29232 19236.70721 21863.97737 27915.17957 24040.23165 14243.80796 25854.15497 29184.73884 30775.3519 17248.48577 16853.69001 31006.06783 22843.30804 30684.41215 20001.78013 25100.70279 35045.53344 27979.76326 15672.82304 36881.17434 20531.99757 16610.4527 16742.71937 21405.23005 18356.62114 25839.75674 27986.2946 18679.8659 23680.38566 14735.78322 27352.11005 28092.40264 15871.53683 14136.80314 20275.27662 31286.70982 21153.07537 24455.99234 11915.12144 18368.46451 14487.99779 29357.67635 23679.3141 15091.49312 20551.68982 15373.17464 38873.48707 25881.5443 29917.13685 22707.49901 24584.57793 30353.66362 33780.81802 28730.73908 32645.87872 18423.72864 20890.28066 37236.97331 19898.95623 20852.66314 16159.53119 21717.036 18097.85652 18871.777 19752.41519 1365.607198 721.0124652 808.8141123 1115.78315 18897.09842 22497.76914 18253.97992 21812.4678 4256.852737 5271.603211 15930.47114 azelaate 9701.057797 21938.00301 14693.86676 17900.62108 16517.39494 26241.29328 15710.88956 11247.13901 17946.2628 14381.18787 16878.27564 17924.6074 24990.89237 22667.33285 22307.51375 11087.58967 13753.15597 15193.2193 11011.54005 17553.96214 17544.47883 14217.45118 16124.57267 13912.06227 24218.32291 20730.74047 15526.93362 8406.887903 21495.36461 7661.325216 10540.49999 11508.91821 9829.345571 24046.1992 19165.60548 23605.66647 20212.10669 20422.67963 15557.57917 18298.39982 14025.89669 11578.10062 12198.07082 19919.48621 12540.23677 14599.73277 10242.22529 24684.01432 18495.21996 18240.83586 17969.93097 10654.42109 13571.65418 24525.6163 14457.36211 17918.05988 14799.6584 13665.74827 25685.36717 24323.11407 19750.594 17225.7714 14521.99204 19335.4392 15436.35679 12196.15338 13625.65196 14140.31678 12292.02772 12833.96688 23143.99163 21521.95084 17152.80649 14618.92891 13927.61624 26766.04212 13493.47388 25417.04588 18540.7059 16945.25871 14603.70278 12971.1603 10558.16766 13797.47552 15541.75946 12891.92271 10521.19931 15713.34849 11579.5926 12044.13967 18873.5189 N-acetyllysine 2688.819384 18082.64246 1441.943951 1967.94226 2778.700494 3728.445748 18458.55495 18773.60791 18040.84428 14445.60453 6769.307761 7241.446991 18114.29176 17497.16246 17879.55821 15650.04367 17293.46747 18620.6282 14579.19127 13719.80394 16843.06558 15704.91578 13804.88217 14666.34466 20562.76908 18653.7108 17294.81714 14753.73636 15845.09067 14621.95604 15419.5571 15276.34831 13576.81138 31954.03342 14876.79831 19484.42225 17048.19776 18180.14924 15790.28976 15288.8823 18054.50338 18885.28752 16116.71689 15930.78249 16474.90405 11540.80782 17074.47214 17546.41628 15668.32321 19599.3274 14311.34543 19865.41289 11257.16124 15602.0668 20773.32177 16696.5323 13643.1847 18850.39799 14679.82351 18098.27473 16909.89461 15285.87432 14358.08041 15247.3687 14199.13837 29915.42423 14781.76108 13822.61215 15124.39012 13390.87867 19135.2935 16697.22594 18069.02443 12828.24323 14129.46666 14403.57683 12158.75169 19294.6215 18942.6909 18268.53706 2600.702588 2133.768071 1065.768446 1304.678623 23127.95433 19667.21047 22218.58971 20087.01133 6780.298924 8143.994036 18497.30547 3-indolepropionate nan 38358.21852 nan nan nan nan 12554.57452 10959.08252 13300.79618 16305.56315 29663.25151 32385.55789 45296.94744 35986.93145 35554.18029 36066.85348 36984.99585 24165.1983 36499.5682 52095.13881 32187.99243 31795.88112 35338.51794 38285.18961 47579.60911 42380.51985 54647.91664 36465.44801 27313.65924 29774.37091 40610.47786 39220.37859 38673.20286 29328.38659 39270.75511 45299.13389 34941.75773 36733.72094 56094.12464 33860.79237 34715.06124 28273.70096 55662.79802 31601.78539 54078.43414 34201.00077 39708.94665 47203.14524 37111.07865 27725.19505 31109.84723 31091.64448 74123.5603 46555.80974 34889.16318 43307.8522 34217.45401 29747.89045 46383.51932 36652.23831 34992.52012 44412.04578 30748.21124 41292.99557 31354.30824 42318.86048 30039.53633 39579.24402 35837.73712 34757.63504 48246.58667 35915.51411 42878.98713 43803.0106 35753.52308 46510.3112 44458.39209 46669.18985 36239.39636 38292.53982 nan nan nan nan 14300.89481 12653.98406 16912.28409 17095.74216 34937.79942 33799.88347 33298.91681 citrate 2513.951443 121617.2874 283.2608228 1091.017381 950.6421776 574.5559366 122090.3098 116676.563 129757.3462 95024.72561 63707.91918 65720.09907 88491.66832 88049.11777 149147.1675 110996.9169 169184.3501 130772.5645 198920.8403 110440.7759 99074.89662 191300.7076 155625.0413 175077.1788 112828.2664 156432.3889 185563.2275 158270.4276 228499.4658 151838.1995 115754.4494 191445.5178 192116.8028 80870.55493 212075.8041 114203.5723 149115.1907 124200.9585 121694.3853 130868.9323 191929.2736 175482.3064 208905.5014 134166.5339 174862.2755 195266.5598 165520.2054 120818.3934 134406.1592 129380.7523 143917.0933 162077.5743 152031.7185 59495.93105 166108.2978 175850.1525 171769.2648 127015.0873 132356.2846 113696.4067 136923.4146 115693.2225 125262.3389 200873.8974 226458.4438 192915.3031 173897.0445 169336.4399 194660.3276 188494.1401 135501.7734 136805.1765 233398.2826 153336.3583 139293.6276 174107.7652 158932.0668 133997.6419 155294.4498 116564.7399 1460.504234 760.63698 134.9587134 205.1395807 76174.02527 56838.38777 99952.36576 121159.6161 58305.70854 57650.90539 125113.119 3-hydroxyphenyl-valerate 33142.92014 20568.81483 33407.10535 29851.90415 29866.9359 34804.26158 9618.150331 5302.12834 10403.73205 12867.56501 25659.45143 17637.94932 10052.41475 17929.19859 21079.20731 15928.56958 12478.48626 6317.879097 24820.62439 16973.08639 17944.49927 32270.8007 28535.97855 15870.57013 22468.71244 27954.38049 43710.11209 23349.81412 14639.07326 22282.46214 17295.62415 11983.88199 21891.03235 15827.94812 20572.90415 17622.52919 16958.05709 16565.42064 19088.55101 17881.86531 16217.26709 10987.69307 20755.33807 20945.17624 20534.07979 21648.81526 19396.29112 18641.14851 26735.80704 22130.88493 27073.9188 12920.17388 12429.48551 18947.09567 24460.40907 25492.54257 7561.918348 17554.28565 26742.41731 27094.63831 11503.23645 15358.56899 16483.97404 22101.86063 26296.87547 10763.64647 21596.69448 21411.82442 19892.06965 15754.3829 12589.54538 17174.27838 11895.99443 18861.80944 18202.84014 29690.95545 13596.72704 18360.42467 17494.66922 16413.39289 9358.381302 15348.86708 15087.9462 15599.144 12692.45259 13736.24093 9691.818926 17871.28027 24103.8973 21343.19172 21767.47347 Ala-Leu 991.0737548 6797.594622 609.737031 795.1317274 1500.763005 465.132425 5941.359667 7371.820359 5191.202689 4395.387529 1409.456798 1785.30973 11644.89568 7094.091819 8533.784685 6083.774482 7602.233722 8765.623882 6303.89478 12298.90958 16090.58186 7012.240767 3911.119599 6655.087075 17561.35036 7004.843151 8324.774795 9030.934253 12143.11419 12554.42493 10992.75053 10497.65861 9017.075331 14263.13352 8042.509638 14136.70348 6779.312594 7580.627189 11463.98456 11038.71163 6316.595938 7903.872406 4855.508532 6583.005432 7300.695732 12380.04046 6939.706924 16348.2044 7463.179772 8234.780341 9039.236705 6078.302914 4489.796199 13066.0811 6306.178774 4654.562803 9630.66555 8897.370455 14575.06356 6851.130292 4559.707462 12517.76455 7936.725284 8604.937471 6399.029077 7259.338176 7120.606239 6209.88841 4805.731616 3454.516177 15401.54807 6921.38952 11155.73646 10772.86403 9372.767137 4027.16651 10154.12912 15277.53341 7316.71076 5422.486716 nan 459.9109992 424.0077045 387.4911836 5105.873237 5279.723509 5310.788499 5643.48053 2041.602542 893.6848126 7221.546958 spermine nan 2244.691805 nan nan nan nan 217168.5703 200999.2592 84623.46931 86178.22043 315509.7457 298680.773 21809.86391 14182.97164 13700.77242 180200.2497 53407.23762 77074.10206 103123.2751 105971.4009 43228.86907 159445.5385 48946.5666 24667.80187 17675.27712 13055.86392 128948.8222 100313.5825 42300.81129 63745.27466 20574.65665 51653.21032 81044.24803 25633.04392 63875.86907 18810.96696 11949.54176 13080.68016 49226.73413 40699.15133 72377.48786 65705.77286 20694.37404 62325.84747 35805.39251 25289.35209 79579.08763 16713.32478 10827.18266 8802.29112 51056.57489 127106.0935 29503.21462 44615.73184 47804.83264 64452.9202 100254.5171 90265.15133 17711.94295 11000.26134 11484.84915 13892.5859 25852.54583 46002.79643 73430.65056 71538.64523 44675.6292 15187.40624 36416.50311 47990.30242 16332.32316 10861.31544 58293.03457 33898.50492 23118.49465 38994.4753 35561.40601 16179.07881 10254.56874 10058.5273 nan nan nan nan 150417.9339 148469.0064 56653.03955 78709.7643 239333.078 239426.6316 13163.5661 Car(2:0) nan 16438047.68 nan nan nan nan 23430818.14 22998042.56 16932725.87 17358791.06 12963668.69 12712952.55 4158944.797 15484741.46 15572179.37 17031467.45 12473417.83 12500779.1 19026664.88 16400048.72 13590338.92 16005553.86 20398475.95 15861010.55 4354290.259 16023065.31 14984180.99 20206211.98 17734940.4 15978624.41 12627719.55 14236706.49 17275984.29 17777295.4 22711867.92 4423026.083 16453552.82 16472667.5 15251750.3 15898586.99 15851613.83 15974188.07 15264070.95 16289159.5 11954288.12 16856096.66 14470443.58 4429385.077 15991869.86 8666567.699 17870773.56 20472651.93 11919216.31 14842503 15600655.14 15186137.81 19651116.46 15574542.98 4303173.065 16386049.52 16174644.52 15852089.22 20193937.95 21264028.46 11498399.09 21214046.8 14777380.29 18808175.16 17697020.6 16950068 4460570.921 15954806.16 19824896.99 16162658.23 22641307.53 9922996.275 16649330.88 4398230.912 16156606.72 16223732.19 nan nan nan nan 23369630.04 23786149.84 18546324.9 18626196.17 13001208.04 13234916.48 15839987.85 tryptophan nan 785547.2259 nan nan 4423.512253 3347.383117 755263.6118 754870.8216 558717.8841 553496.9199 584065.6279 573573.8368 817119.5752 695013.1313 757506.1933 492790.6666 616940.3127 701636.1523 527404.0801 885229.9105 1080177.188 585104.4286 773112.9161 900532.5576 842372.6201 764192.6608 606800.0928 798177.1533 801962.7077 862084.2836 862308.0096 937428.3522 473007.4184 1056236.275 969334.2829 831566.3621 752739.6422 762187.5549 898118.0433 858673.2402 555028.6846 579345.1372 583190.8842 417336.2999 907675.2046 819028.9889 682223.7871 828454.1188 741616.2972 841629.106 816081.5855 460830.145 911794.1071 938165.9717 707122.674 488260.9236 1128453.863 552623.9431 832654.0829 719583.5928 765024.2918 1175404.524 712634.0437 753929.4032 627830.2989 919759.866 782373.8282 828974.2151 458111.1999 599958.2985 819641.6564 744070.4926 1033987.907 1023872.301 1093595.379 647610.2747 965290.7908 853859.6292 763192.161 783126.6577 nan nan nan nan 746377.5611 743148.7197 593272.9751 588574.9969 577752.8584 584700.9601 778795.7148 kynurenine 2511.261542 26569.33049 1253.604989 2075.077533 1746.431533 1193.186719 29245.45308 22129.52552 24214.78686 36507.27883 20577.3404 18412.27344 66024.20144 32340.54244 28000.03118 22565.67055 26698.70977 31967.04191 27047.59278 33701.69645 46911.83689 21859.75796 30667.64022 26313.60412 76168.56088 24855.86533 21487.31607 34137.61264 28001.05057 33189.68755 38309.74212 27944.18286 35126.49352 45084.79991 30379.08994 62029.14312 37332.54116 27207.07001 33472.30881 38491.92167 26329.63291 21921.11088 23283.38657 24296.78551 34393.58973 33017.2143 28942.259 60944.34238 26509.11669 36436.42016 29323.78433 22231.20695 25044.3866 38034.38108 27217.48378 28374.58883 33914.46003 23416.05837 60962.41219 25887.10517 27629.60707 39894.0742 24951.0252 29221.38536 26299.69706 43481.68389 26518.35232 29180.84741 20553.08771 23169.35573 63752.80459 39681.73376 35267.21084 32561.87578 37931.86276 27088.50685 34375.33834 61075.0733 30127.91822 26579.3339 660.0927664 705.6033115 nan 463.5610788 31700.59597 36898.52186 26767.50372 26997.2455 19771.79997 20385.88155 23887.97931 FA(12:0-NH2) 8524.657968 107256.6421 4480.867497 5754.669752 6227.649055 7455.095884 36221.22921 37523.58455 11471.57893 9434.833081 163161.7392 155982.9819 195994.9661 106326.2267 105463.1655 183815.0554 105202.4991 108613.2447 86900.35647 29659.57241 120662.4136 112403.2272 46785.05011 98067.69368 177529.6324 97465.14654 49006.95329 129478.6295 33562.72631 38426.65538 47088.13009 325826.0682 135652.517 103292.1539 234513.4909 169650.5841 98045.87718 94729.24634 129092.3334 150729.8353 215676.0897 237358.6771 31763.17635 25657.10231 33358.06023 132045.8108 87290.64413 179725.5038 99593.40476 80368.69796 74766.7114 36138.78762 92911.68758 68725.1739 71968.31251 32177.97125 176070.7772 21825.57949 188122.0991 104283.0912 112126.0471 131519.3622 144592.1403 41140.8703 56672.84162 34350.03124 52079.72408 186382.9106 44447.48208 167791.6838 185543.8285 105381.0836 49221.51201 147572.552 92801.63446 56843.26268 86157.47607 169613.1225 101510.3392 101213.6363 6425.459275 4997.465176 4918.631193 nan 32780.55335 33349.63667 8311.54628 9379.554033 121632.1335 133796.7579 94267.96638 Car(3:0) nan 6032469.403 nan nan nan nan 5670399.913 5677026.909 3077702.818 3048757.648 15048062.25 15221054.8 10270138.52 6284833.637 6204660.932 3230112.907 3303316.279 7727288.461 3454558.098 6253070.229 22626902.53 4654328.201 3973143.478 4493984.12 10119066.29 6142593.042 3768616.131 5720362.853 5854237.954 9376749.466 14252153.46 5540441.93 2816431.239 18880362.26 6843778.193 10085835.23 6161680.714 5953521.078 10217770.45 8382647.36 4775831.77 5279635.171 3011872.385 3127707.712 5825345.106 11501321.1 4814219.99 10094283.59 5977076.074 5550783.761 7745626.581 2969733.646 3852655.372 15307280.07 4067903.264 3555682.388 11623736.99 2420845.702 10076423.03 5927812.442 5979227.618 13660933.04 7988546.306 4811972.223 3289095.367 4263880.497 6518917.75 5660532.605 2209359.921 4339288.302 9836806.424 5915591.613 5198413.545 11991304.05 14409818.38 4636134.029 15250735.31 9872744.538 5923155.654 6013277.717 nan nan nan nan 5474077.68 5344622.654 2973140.523 2932506.345 14039529.59 14210583.77 6012267.209 N-acetylserotonin 4465.9451 9964.562979 3132.178673 2426.135532 5845.709887 4162.064204 7931.031829 7871.342157 7001.482549 8433.018443 10526.38139 13236.46265 6435.154643 9347.848537 12927.6213 7102.019381 8481.851376 11800.76079 10915.63016 9176.744696 12081.393 8201.97408 7958.082159 7899.294256 6733.344925 11450.12357 9066.079063 10232.54459 11856.70366 6504.156076 10230.72343 8133.711032 7120.728765 9613.254327 11946.7415 7507.750126 11758.06923 8640.330835 11484.28652 12555.99809 11416.34296 10398.1533 10521.02185 8940.440504 7596.307081 9713.410232 11167.8256 7100.743117 9660.217721 9757.693524 10805.62611 7276.640843 7173.340607 9779.086597 8367.092822 8732.522652 10476.59872 12615.7578 7451.211741 11218.45844 9582.970439 14522.60613 9487.622724 10092.46779 7632.423842 12228.16759 10580.42302 7725.253001 8685.98937 11377.42201 7361.807725 11747.48739 8664.835453 8483.484801 10336.52871 7140.928608 11380.61425 5585.276071 8130.856012 7502.11395 4880.04299 4013.646858 546.0102299 1026.071488 7994.343475 8973.47102 9194.419535 9285.49846 38621.49048 34687.04148 10657.43738 Ser-Leu 1481.85762 7535.921752 562.6699665 841.9068802 1250.801862 912.5267283 11799.20621 10244.59102 7697.925996 9002.302557 26727.00157 26196.48667 9991.363266 9005.503349 8747.470279 6736.453622 16495.92628 10226.97616 9400.863656 10813.55927 9716.7665 8940.251309 3297.105965 4240.837222 10266.41481 7902.253971 9592.938784 5547.654354 5228.515077 4230.915024 4797.201893 5624.907658 8889.002731 16851.43619 3931.792356 9654.414873 8490.052947 9295.394925 9296.006829 10613.98811 7962.243337 9264.832986 5443.608585 8971.313965 4762.150821 5052.001368 10121.4929 9029.494002 8513.718056 8209.706397 6007.590439 8129.668865 5004.935881 14283.60522 7756.102468 6857.086358 13386.06635 9721.255166 8260.077538 7587.623911 9448.387323 11885.36884 3616.009954 4746.668733 8908.059481 11321.9191 8981.193243 3847.211991 7359.867658 10240.7171 7652.468131 8388.398447 7855.621363 9075.958279 12124.44379 5175.040225 9651.900449 7750.060051 8818.721207 8249.879791 389.3620386 629.8935949 189.5205137 352.5011559 8508.871583 6982.775303 6306.582066 7184.388303 21636.02856 22560.45882 8581.301427 pantothenate nan 349999.939 nan nan nan nan 346148.486 411580.3585 346575.9646 321153.595 1625683.524 1579975.028 862228.609 421672.9746 501857.5453 519855.8425 572480.9422 481279.0283 658468.0223 252989.7487 470068.7286 775304.6187 352570.6391 386049.6154 1193554.13 648310.8656 752833.135 422203.6103 393503.6091 388490.0895 592399.5277 481145.4051 724782.5407 517539.5295 527934.8984 1285961.275 707084.8105 707279.5839 509552.8784 482506.5861 543233.8465 1026426.777 651796.2248 699518.5872 671903.9474 418253.3256 690188.1441 1322137.393 704105.5348 543051.6226 400827.4382 1037350.459 706602.8443 333236.8988 862995.423 680871.0314 582899.499 788992.779 1365186.662 721041.5399 760579.8846 668223.5392 385756.0003 368065.9874 886136.4425 1431130.206 925139.53 423576.1769 939111.1476 827310.6308 1404267.541 778416.5122 673713.5952 547199.3983 535774.4489 626368.4402 495387.6506 1408511.265 760553.3132 765371.9654 nan nan nan nan 289629.8816 323808.8388 351686.9242 385981.9895 1468211.534 1428482.865 619348.1307 5-hydroxy-L-tryptophan 3300.345965 16440.82152 954.6028602 674.2454725 1138.488997 765.3959272 20107.34442 17805.9606 13178.52789 13577.15407 8018.758391 6762.210004 8837.770485 16218.27302 15327.38646 21101.41962 12408.52835 6502.700635 9898.82637 6958.211201 5513.881507 10092.51293 10427.04251 15488.28359 8436.297842 14880.85391 14915.51823 20557.65568 12133.39181 13050.44794 13655.8065 9629.480661 12459.92249 9023.194169 13211.22531 9234.502982 16035.29181 18081.8095 10673.76629 9688.389265 10777.65015 17907.14255 15823.40134 9465.052954 14969.57125 15185.918 13585.00165 8367.028769 14150.05804 15849.4857 12468.17562 19300.28857 6853.66454 10483.8965 12834.85204 15187.48993 14223.99539 14135.20244 7127.684888 16579.26359 15955.73987 16456.37196 15732.23594 12402.41962 21554.01372 15066.34492 16907.02387 16408.07715 25997.88201 17389.54557 8342.332918 15560.56817 14454.16541 12481.28963 14245.19865 14224.46334 10260.2268 7529.566591 15355.71923 17354.93134 682.8655027 587.9035055 160.6266807 174.343531 15120.40648 18392.37593 15159.74265 19264.42257 9590.615648 6587.094202 20683.2236 diethylphthalate 353231.6052 132895.6935 307676.8692 287732.5692 115313.4039 90458.02718 18683.23505 34322.51189 55457.52459 92673.76371 7908.137769 52393.69751 40321.31068 33179.36232 114424.6185 79731.44333 46117.08491 42003.69449 60319.37938 61474.97036 65368.7733 77388.30943 75557.96745 49944.39632 52171.38603 145813.2384 95088.38885 65722.28467 50666.32318 99049.59967 67900.6767 42853.09547 53263.03385 53803.43674 70797.60551 37861.75817 18237.67364 87867.54855 62031.8136 69011.98592 57760.01241 45803.3016 71562.9724 57033.16071 62906.73247 51367.13584 61895.55781 141580.0433 118393.9006 78007.72156 91333.56774 47542.81774 30617.66241 82746.32468 70369.08925 94756.38173 50579.39358 75599.38789 93966.28969 135248.9748 87740.00395 64652.64057 88669.8631 70305.72729 131235.102 48509.19671 80289.08195 69725.27945 82092.58802 62885.05045 107132.6551 71575.53881 58368.25072 69456.94503 67204.50657 90134.09812 33423.36778 56014.6671 92992.90494 107901.5862 19284.60654 33569.36733 143644.102 156901.1684 86701.41709 67632.20351 68344.55847 83642.74063 31912.57968 33324.02882 29580.28735 Leu-Pro nan 1264300.948 nan nan nan nan 405169.931 158498.0244 36426.15109 106900.0559 37994270.28 36817609.33 174581.0996 1648266.724 1668043.25 172000.0198 156801.5889 183263.5825 215155.7982 62130.78163 51668.09227 69794.74301 77752.45182 77589.0156 180708.7443 1661258.292 169595.7741 216010.9844 207275.3771 185758.5992 61494.10419 44481.48506 62117.35561 59956.23856 73391.74077 215737.0006 1705066.981 1716220.286 78209.12944 77574.1668 77267.04431 45406.69164 56722.11711 53861.36452 66849.02135 65236.62264 47761.2555 103103.0162 1639071.867 171900.4085 64143.39703 74005.77714 50817.94903 111519.3611 47988.23414 76814.29181 65662.68706 67342.80018 218492.5288 751738.5753 1705610.597 26296.76618 59026.27965 73001.5189 61207.62963 36347.77344 67803.71655 52158.09747 62907.99427 79216.63465 212935.8853 1664278.604 71885.03215 61853.31087 65699.31812 166656.1038 57774.66752 205593.4483 1629535.15 926948.3666 nan nan nan nan 440073.0443 426753.283 114301.7344 105820.1758 37171036.62 38253328.06 1620269.223 Ile-Pro nan 1264300.948 nan nan nan nan 405169.931 158498.0244 36426.15109 106900.0559 37994270.28 36817609.33 174581.0996 1648266.724 1668043.25 172000.0198 156801.5889 183263.5825 215155.7982 62130.78163 51668.09227 69794.74301 77752.45182 77589.0156 180708.7443 1661258.292 169595.7741 216010.9844 207275.3771 185758.5992 61494.10419 44481.48506 62117.35561 59956.23856 73391.74077 215737.0006 1705066.981 1716220.286 78209.12944 77574.1668 77267.04431 45406.69164 56722.11711 53861.36452 66849.02135 65236.62264 47761.2555 103103.0162 1639071.867 171900.4085 64143.39703 74005.77714 50817.94903 111519.3611 47988.23414 76814.29181 65662.68706 67342.80018 218492.5288 751738.5753 1705610.597 26296.76618 59026.27965 73001.5189 61207.62963 36347.77344 67803.71655 52158.09747 62907.99427 79216.63465 212935.8853 1664278.604 71885.03215 61853.31087 65699.31812 166656.1038 57774.66752 205593.4483 1629535.15 926948.3666 nan nan nan nan 440073.0443 426753.283 114301.7344 105820.1758 37171036.62 38253328.06 1620269.223 Ile-Val nan 7513.80019 nan nan nan nan 20621.53011 14510.35956 10783.21001 10425.39457 nan nan 12197.90931 9015.500828 7592.94904 8410.202944 22945.59923 9236.046133 6847.234715 7345.981416 8035.417604 5922.096008 5312.946833 6632.389015 13532.31721 8523.057515 8742.930841 10626.53048 7834.623492 6265.501099 7586.538894 9267.964557 7997.76953 17604.1029 6614.624838 14470.29985 7727.65836 8407.187463 8791.726491 11335.77187 10770.87441 10159.14667 6638.065942 8996.307462 7821.876536 7828.884171 8267.568391 13072.58073 8215.803088 8171.820626 8761.088269 10174.6044 6726.585346 13688.76434 7233.038838 9940.175766 6741.718641 9546.214401 12434.67183 9437.930004 7081.959275 20872.5107 7247.405808 6456.166824 11392.33381 18222.60824 8769.322658 7310.587581 7944.092443 10461.70501 13158.31442 7177.213302 13850.33583 8286.266305 7115.303617 6448.205767 7207.868543 12110.41372 8318.890184 7722.783253 nan nan nan nan 8799.443349 9131.977819 8892.954017 7866.731477 nan nan 10380.95145 Car(3:0, 2-CH3) 295.8968275 3658741.761 481.6634048 463.2238944 564.6963774 1039.839553 2615512.424 2499976.777 783127.6568 818573.2819 1120815.097 1076372.382 1047497.833 3499484.859 3495204.428 465199.1256 1402354.552 3089377.036 3231190.23 4268901.617 3421896.108 3345630.788 5352532.644 4788797.138 971713.0389 3368919.162 2144738.391 6108171.563 5150951.788 4026023.953 2371860.645 3443995.835 943803.0227 4653644.031 7451105.819 962673.1706 3490430.813 3436925.951 3901409.588 4577694.204 2043629.903 1406247.69 501617.7163 1202221.048 2184674.312 7434351.284 2568978.238 940978.6595 3370682.813 1127353.729 5021151.054 602155.0992 1707256.953 4790244.975 2054606.239 934151.973 6081471.588 1935516.04 960816.7907 3495895.472 3374594.96 4679371.904 4934689.164 8686252.704 1373383.043 4174782.644 5005184.627 4951429.818 975883.9644 818818.4535 944306.8724 3338751.686 3993497.928 4929941.248 10667944.25 1331789.58 3705293.74 971495.968 3403753.381 3535689.288 1823.92658 1015.995507 262.2506317 643.1876398 2526917.383 2535053.504 845746.6243 833091.2467 1084488.536 1097566.282 3560492.527 Car(4:0) 250.9838237 9575674.049 676.0490557 613.4939343 1777.107341 928.4648876 10533009.6 10399803.75 6847845.746 6927681.08 2527489.466 2437175.025 793812.1913 9366893.864 9210293.012 6167433.904 3315245.037 5179618.92 13893073.16 7449038.432 2950720.032 9301239.284 21693644.79 18342462.71 784692.2327 8867454.835 5217168.402 11482062.26 10240032.33 10309969.6 5866015.89 9770906.629 7748516.83 7257777.593 24698547.37 770377.2427 9321417.557 9360827.048 9997757.693 8028840.093 10173291.75 4292387.687 5244774.076 6404383.434 5587119.662 10467518.77 5473358.203 789641.1187 9073564.053 5121742.936 12520011.75 7758504.664 11669676.19 4665386.377 9501554.084 7472395.771 9882647.538 8568732.827 767309.5981 9520531.45 9397013.02 8760930.898 10607761.14 22832718.86 4854330.73 16497152.38 8203219.42 18536951.15 6463762.989 11283802.51 779246.067 9220086.016 11139072.3 10253872.25 17675201.7 3051668.87 10614926.01 769527.0016 9379532.775 9463956.669 1447.373582 2698.378026 906.6195742 601.1899706 9957065.388 10338035.23 7148735.824 7103738.046 2417595.277 2479406.218 9278440.997 cytidine 418.6288479 49149.32755 1600.809208 1405.075976 723.4253511 845.3005331 47848.01515 47002.95147 31324.37606 36111.53978 14210.46213 14677.13354 81853.18161 56085.37103 60289.5877 32290.48106 39622.70801 47250.60205 49375.08413 44675.3455 55390.89394 45884.60746 68661.38161 78794.53811 87597.76312 57328.67919 43939.46603 60440.92813 65505.50319 81846.49062 83124.40691 70924.46415 36785.6409 54503.86506 81047.33176 76293.06768 47193.27892 54320.45226 79674.04449 59787.10441 36043.60838 37725.91607 47465.90254 32454.86849 63675.02714 63802.06427 35455.41899 78495.73384 55429.5131 55447.49619 68704.52869 35021.58427 72333.34833 50630.02415 48822.93957 47648.08329 71432.73107 40485.1163 82197.60555 53278.94551 58302.1633 91676.06959 54109.58474 69896.82909 49664.01599 64149.99803 55270.91004 82262.41214 36633.15835 43118.9585 84540.60592 59937.97091 78095.72374 69742.42382 74939.87567 44511.41471 97402.71987 77241.0964 53661.52945 52772.30242 1541.03658 222.5566704 1733.364969 1849.31409 46324.45695 42112.94503 35956.04853 31789.32829 15498.50477 16081.08492 57786.62594 Car(5:1) nan 18347.67639 nan nan nan nan 9962.622538 nan 12470.13684 8899.488306 112680.6486 110402.6064 14358.31129 27231.27494 39741.94817 13707.76756 33655.5004 nan 28779.00224 26993.72903 16189.28083 13033.95357 nan 10646.43102 16223.50494 29871.91173 21779.38162 26856.23167 18508.15328 9237.380765 7806.120782 10906.61404 17959.29828 37164.53538 nan 14604.21943 37776.19095 12917.74144 10258.81339 32502.80218 9508.840587 18736.43164 20616.98501 10293.56797 18893.819 21236.57738 31948.39097 22804.04029 36841.8418 13761.41623 15981.94681 38354.66097 3568.498039 92328.10466 17060.43978 21020.57043 19717.83867 21920.60047 16687.74442 42298.47322 38750.86525 17045.37136 10947.6548 13845.74242 11369.39295 40934.8462 24556.56129 20634.58663 19983.27592 14181.78752 15468.09784 42008.84593 30944.59028 7437.628689 34943.9032 9953.055016 7842.442835 16499.89218 44517.06283 45843.74284 nan nan nan nan 25451.83566 28148.36216 15357.53721 21115.22625 104658.4213 102157.4442 7006.524526 N-undecanoylglycine 79298.76034 540851.827 75015.32175 64132.52597 111283.7034 114813.7341 8051.485995 16644.00626 12609.63496 18318.17306 608411.5782 793001.8843 373555.3338 390736.5356 394310.9663 331095.6324 305346.5531 231122.8182 178773.4183 84941.90748 994545.3724 308455.4959 142969.8228 193032.7913 462989.1238 449394.2112 183584.9908 350494.4782 170548.443 182376.1007 165710.0446 539977.0861 273458.4192 179605.7006 396645.4336 453290.2331 487282.2171 460124.669 407361.5949 413107.5159 486119.9503 672158.3007 115365.9661 84608.15109 149523.0787 310166.4849 227436.5237 466794.6764 498633.8696 195510.4441 342979.5508 105794.3942 235918.1437 278531.6997 896357.2288 96650.86494 377307.9622 79734.87474 528273.4832 520273.2708 532988.5225 227711.2875 390523.3314 158306.9481 196509.1184 165177.8684 247658.1288 591214.1307 132370.105 488581.5228 522009.8083 519786.1621 123961.0728 335289.997 439897.1833 227809.5127 353732.5336 479495.9305 507060.1065 512619.2579 6176.893517 13058.06201 12635.43905 16910.59906 51593.8218 59034.88421 26157.26694 28556.11683 892563.9057 973073.2547 394231.4228 Ile-Ile 2057.035527 4810.164922 1904.998677 1018.570834 1500.014652 1518.356857 5011.497292 6880.17162 5483.58584 4737.785084 1695.420116 1812.281511 3077.604661 6033.67972 6046.557532 4041.700831 6465.920175 5150.547023 6145.335701 5729.304571 3231.259178 6630.482067 5358.40541 7299.417984 2737.334717 4670.464776 5802.772446 7072.909901 6676.843492 4750.201658 4281.475665 5764.748931 6319.580005 5220.493075 7912.029972 3897.646835 4634.548724 4687.723927 4976.573706 6642.368656 4631.209305 5954.175049 5954.559718 4708.107454 3447.39574 6176.555775 5329.867751 2817.495755 2917.102811 6557.948357 6563.971217 5727.664939 6180.113711 5524.104421 6404.363998 4840.974512 5239.501736 5014.116281 3210.792284 5573.266884 5365.229407 5316.351432 5525.28589 5975.0422 5928.778375 8308.459207 5672.84966 6397.17658 5503.151526 6715.63257 4013.066552 3437.542676 6504.71487 6072.042045 5618.99546 3604.100342 4092.807869 2875.874686 5145.431702 4991.410154 989.1921383 1185.964717 379.9743112 344.5858982 5743.985125 5519.607391 4809.559241 4846.54555 2270.052162 1525.039618 4242.875425 Leu-Ile 2057.42302 21373.15002 1938.538859 1281.553003 2879.409244 2394.827197 14456.14966 16444.59816 11527.02964 14453.75862 8926.234759 6949.204391 3225.67958 20720.6678 20198.05011 22284.08371 24639.9235 19465.86154 14858.03069 19215.00403 23828.28334 14215.7098 21118.78766 23951.86514 2103.015589 20728.54391 16228.55957 29742.48161 23641.08814 31194.2142 29056.40171 19531.5496 15887.68241 29899.23788 25660.24784 3407.520045 19704.26921 21231.63132 26284.50316 23769.29933 13989.63174 19832.65761 23619.16587 15351.88962 30850.43825 29467.39367 19282.69946 4414.524224 22479.24774 26640.01889 25327.39391 21160.87428 19218.09299 24686.26998 13452.70153 22447.13341 17302.18806 14258.63488 3729.334808 20126.77711 20453.72309 21711.89512 26044.08604 21697.24233 21680.34831 16872.53161 16648.11814 26097.46959 13878.39286 15095.35114 4423.506118 21500.40839 23602.08783 23461.14142 30205.9244 27708.16249 20079.84707 3665.638038 24577.64434 20894.96618 1571.941532 1258.100403 359.6134687 248.7842999 17263.36279 18225.78709 14320.45869 10875.46773 7805.776917 8736.847051 25412.32756 Car(4:0,3-CH3) 3885.69687 683067.3461 3406.197825 3868.405621 4344.398862 4867.766324 1598948.93 1554723.837 485595.7393 467799.6131 833092.4651 847110.2295 727896.3406 669628.6293 699284.7044 318178.0601 419001.1841 538974.3932 622820.6397 591616.2281 1030867.638 574298.5777 585703.2311 533849.6326 677621.1626 692673.1338 434798.4673 682704.2775 725855.3644 537084.9444 746738.078 478719.0803 321977.2912 1376980.674 760949.9869 663792.215 688448.4644 694312.3904 663846.337 713653.2806 420541.2879 445352.8957 405399.0274 403480.752 594663.8225 1324044.073 487836.7274 717836.2553 702684.3968 545174.3353 669604.8506 426596.7978 461843.1682 971904.5422 515592.7852 427658.234 1047494.114 376017.7262 674111.1125 678240.0933 714408.4532 888107.0531 613232.5206 778991.284 372497.7178 788280.7932 731996.143 697588.6243 444853.6307 414753.2673 666035.2611 698086.2458 648551.9222 869755.0647 1696053.629 382826.63 577739.6972 671572.2193 710986.9957 624090.4783 3702.717542 3505.891493 4003.323965 3788.005182 1654126.878 1686881.186 488127.8837 482856.4218 879091.2547 858396.1454 690693.4437 Car(5:0) isomers 727.9169533 1028764.237 691.5453793 533.9325279 656.0172688 997.7353479 1875574.045 1831930.116 521802.4159 513588.9728 1374469.336 1350299.739 1241287.829 1028194.241 1054374.953 495650.9214 592771.5811 745353.0453 855912.5521 904000.728 1571812.874 677779.0358 1285475.803 995084.4322 1144597.036 1080039.74 612751.1344 1976781.785 1654148.76 1144526.085 913169.6177 673372.5442 376824.7761 2098505.942 1622882.716 1122983.999 1075262.707 1034380.43 1126857.861 1329316.617 690957.9118 473932.2047 413156.4226 467007.6347 616416.4962 2313215.988 743559.7542 1241190.729 1080888.863 310729.1253 1015732.487 558201.5144 501663.6982 1884573.505 585882.741 521385.6214 1987226.503 592976.7437 1144573.184 1045354.476 1093097.757 1654734.346 1041251.365 1888242.047 402915.8325 988258.4127 1010575.643 1128040.607 484035.5244 513217.292 1091204.346 1074915.854 1209688.39 1280232.381 3355142.146 417757.3018 992985.2232 1086509.859 1103558.966 1057652.757 351.074383 738.1551676 817.017251 286.3054073 1870975.884 1984156.212 542262.1945 528265.4112 1394799.289 1394694.396 1058255.268 Car(5:0) 687.0596418 1023201.526 586.7424886 533.9325279 619.1048219 885.2101778 1946674.832 1962559.922 589749.4444 574490.7754 1738337.462 1718171.865 1182691.074 983849.7949 1008278.35 536799.2798 672207.7812 745535.1394 918489.9703 905791.2522 1172397.459 698779.5349 1374190.704 1016927.001 1137214.586 1033700.671 689303.2183 2115497.773 1757413.341 1115247.369 737753.8872 676603.3427 450632.949 1612539.118 1597651.67 1145716.443 1018499.244 1018176.404 1010102.903 1302963.872 751199.881 506264.1474 443408.4535 512559.3919 618886.3471 2258070.48 864032.6347 1126518.035 1008424.529 251977.2927 1025147.322 624191.1384 581344.816 1706052.323 596422.9349 559090.8895 1904272.231 685317.4731 1137580.209 998125.3192 1027333.545 1430415.413 945563.8635 1989039.838 511288.387 950166.6206 1140585.275 964099.0073 598596.4237 551515.3804 1111195.021 1035558.251 1344254.08 1141976.773 2753339.77 441415.5317 849550.8299 1110352.213 1006797.598 1038284.012 280.0966888 716.2935829 757.0659941 164.7719723 1894602.819 1906667.618 584035.2912 579389.7193 1692794.055 1656560.195 1019628.991 Car(4:0-OH) 101.7433054 946755.7817 389.945018 223.8000229 487.1368034 716.8531281 744782.2439 731424.5055 514660.6012 518513.2194 546168.0873 529979.261 1889143.457 963082.563 954094.4824 312552.9718 682501.2819 822813.7494 560757.6022 1378485.957 1851203.044 605946.6509 948740.1673 919047.2864 1875467.44 968247.8265 433834.4253 1590236.042 1276260.326 2013809.686 1901250.347 1274330.718 588309.9196 1546909.857 1254932.662 1910099.235 978092.6901 977223.8955 2098390.014 1483513.675 410629.7556 840496.3719 300011.8629 505485.5463 467964.5029 1568606.757 856833.0362 1887773.956 937381.2613 831503.3891 1642078.866 356343.623 257784.8101 1896972.284 596688.4129 365725.9441 2009812.452 540088.0751 1874404.146 966201.5078 961231.5929 1448449.135 1547422.186 1106945.85 489129.452 952088.2113 971078.5951 954767.9703 426672.429 298109.0195 1865906.776 933733.4432 1243313.564 1708666.134 2213347.913 442143.1055 1961968.205 1887575.45 938662.1622 978929.01 457.1548127 317.7707384 104.722691 nan 726373.885 741734.7287 528267.6404 538455.9129 516239.4288 540174.104 929052.1854 sn-glycero-3-phosphocholine 3307.574978 11338076.21 4144.942597 4571.670381 11229.06596 11862.4137 14825987.31 14461848.31 10784248.42 12059316.17 291246.2857 34267.07696 451267.4909 11133394.84 11816481.35 11278727.28 11859641.2 1766078.108 14565500.38 6954778.219 8478822.179 11693968.51 10684463.18 12655279.2 3677753.526 11643553.39 9643660.906 10741676.76 11256265.22 12594244.6 8025058.948 9710212.413 10841531.75 10902296.09 16091291.63 3717310.139 11034050.82 12199550.11 11877919.62 1815440.193 10392279.7 12955244.03 14355502.54 10022589.52 4207985.157 8960442.37 10989525.62 3713076.1 10988844.31 9300696.511 10977345.2 8838546.369 25029893.36 9213940.155 12103693.49 13881495.33 10039522.3 12481493.51 3693645.409 11416013.88 12191394.01 9896710.847 9992874.822 11789604.54 11671325.37 16881269.43 11064089.07 12211088.62 10004857.7 15318823.19 3696670.252 11121244.07 10632061.49 10717222.08 11206202.68 3029685.536 9743200.593 3723200.58 11211724.42 12395952.3 20803.21055 19032.33909 10259.60297 10638.32063 15972864.07 15019738.49 11796666.77 11629140.08 249554.5365 258708.3502 11444456.21 N-lauroylglycine nan 106137.9614 nan nan nan 3585.204329 16709.99696 23607.99619 6402.57984 2865.029041 nan 75345.98576 213948.1791 90430.40138 89855.51376 218457.5619 126879.6828 110117.8676 105095.7977 23127.83857 107020.7767 130429.3339 35115.51601 69762.25763 206996.0944 86801.79658 52630.36365 127872.6658 25626.93515 33557.10973 53509.2485 357908.625 148993.9769 92192.07958 181093.8233 202594.8508 85750.90134 85396.18044 95890.25617 153849.4074 257831.8579 308795.5529 31857.7329 3738.800653 41800.84478 148938.7774 101115.0788 208666.0809 97314.16045 61919.59943 74845.51048 35471.27819 107720.4188 61001.42697 58861.93481 35138.29058 219938.64 28382.1872 236847.5775 99287.81254 97445.2404 132397.5449 150728.7826 37796.19801 67557.78833 37810.85667 62342.55662 144093.318 49597.96268 154164.7185 224211.3012 98356.35339 47877.78632 153528.5842 109266.8877 58021.68855 88608.89156 210202.0971 92616.08579 92522.17201 nan nan nan nan 27726.63149 28918.93098 6133.602733 4785.331295 61435.15146 91119.33623 84394.50391 Car(6:0) nan 1386817.232 nan nan nan nan 801135.6736 766917.7656 321103.6693 322117.8079 5879946.888 5978854.452 450248.7828 1390619.017 1357002.231 213081.4158 366524.806 1115648.681 1484831.307 1055849.461 1005580.759 1704148.016 3236739.765 2569327.747 438038.7676 1237211.827 524568.4958 2446619.203 1460754.558 1940085.89 1194888.257 1037572.373 665924.6073 1420735.573 5733916.233 449298.2054 1285062.204 1241553.068 1299023.844 1254146.081 1723459.905 780086.4063 186783.2081 505560.5191 814473.8582 1993111.925 739549.7286 457909.5439 1295997.072 780909.0686 2284957.867 211783.1729 1387724.261 1748576.498 1051747.8 460904.8939 1848276.37 884384.837 461891.6257 1298816.754 1306714.833 1318221.116 1872759.431 3848383.305 695642.3025 2223962.507 1876290.14 2259847.83 208633.6246 960051.8789 454911.238 1315159.271 1397887.599 2138849.243 4332395.206 447982.6093 1930131.632 433859.6242 1289956.866 1322713.522 nan nan nan nan 734641.1998 734348.0925 302884.6684 305299.3685 5167996.136 5273650.666 1237254.726 gamma-glutamylisoleucine 4015.691104 18459.69302 4670.696599 3241.583065 2464.606284 2143.559271 15602.22398 15733.60918 16016.37668 13058.30194 2874.169536 2360.782974 21586.09933 20431.62727 18648.57879 23280.0598 23182.62022 12035.95318 16495.01194 25224.02666 18942.94574 14388.13255 14750.99097 15290.06215 22566.2122 15693.57006 16609.86166 16692.90661 16934.09037 15993.67718 22403.93347 19238.82894 11544.56444 21795.13379 16435.92004 19718.24527 16010.32679 19539.96101 16921.29565 18992.86013 8863.952149 17887.07207 11310.03305 6883.907961 16220.86313 21741.45627 17094.06244 20110.54018 18269.64698 20965.62195 18032.14109 14653.56281 11984.29289 18985.42006 20410.73868 12123.2392 18322.19026 14060.59213 21826.84476 19826.83687 21287.14892 30312.67427 17788.32257 15565.42357 17275.38958 22517.75614 14263.73802 21606.62832 15763.54928 8491.345535 22872.65306 17855.18836 23924.35334 17712.98321 17547.20878 12345.91721 16397.31053 21181.52314 17996.33251 17255.82655 1184.0588 2050.268108 1609.054171 1428.412099 14681.7365 10591.64405 13551.26191 12566.74855 1713.824271 3578.365978 20932.93769 gamma-glutamylleucine 56652.91664 249447.3102 49188.77897 47832.57736 59601.55597 57340.39668 268462.7998 273838.2178 284992.0959 295071.1476 19994.42212 19169.51453 207229.6743 270482.4311 259382.9847 291648.6275 338265.0282 236886.4538 255784.3629 320443.4311 144747.5501 285181.9937 301207.1498 234143.8845 199243.8556 251931.3065 285345.3978 235603.4374 235877.4741 207034.5389 186399.8528 236658.1764 247640.44 149744.8884 265816.5191 199883.9968 265389.9338 277169.6958 214581.8878 261304.817 229135.462 306212.0999 231008.3634 176308.73 230279.1779 187727.1577 239983.7244 195443.4905 263095.7021 90994.69076 216825.031 312903.3364 73696.6855 59246.62179 344801.5283 260901.3881 155578.4491 287393.0839 199245.1995 271543.8489 270426.0733 263365.974 233688.2947 263818.7849 288349.2808 466024.312 293195.3987 250767.4085 276154.9465 260861.373 195343.0837 267349.3793 306272.2447 244683.7713 250387.9779 186421.334 187391.1282 192785.2197 277988.9332 270556.4515 43550.97589 44359.11161 33148.39226 34626.84032 284210.2715 288912.4805 238992.3489 305914.6185 17818.47095 20907.40024 244431.4847 Car(5:0-OH) nan 71628.69101 nan nan nan nan 1505383.369 1378278.993 1170563.009 1159898.345 2250634.5 54628.29983 71896.89148 1094262.107 1189806.324 712046.0932 801619.8302 795369.4193 982523.1788 1258729.261 86069.19038 915430.7938 1387981.807 1188261.607 59803.45157 1156772.199 924252.426 1609997.569 1274320.432 1252842.08 1282844.474 1419667.475 788863.8918 1488246.778 1588231.796 62461.14675 1135112.36 1139222.792 1492214.6 1374344.911 673055.1956 826422.5101 869486.652 803267.6868 934058.6071 1411487.664 49038.59313 56482.41901 1114571.909 1007463.459 61328.99466 926666.0242 810056.0139 1516847.025 882114.0364 822904.7719 71905.49428 831857.8969 1857392.334 1075273.434 1118251.91 66127.86945 1329677.551 44114.50832 756872.9582 1145955.873 1179699.321 1258093.288 996638.6253 739386.0068 62230.48861 1143970.048 71272.32497 81001.8067 87030.0411 782648.4124 70833.54878 61133.74594 1112840.803 1070207.965 nan nan nan nan 1206834.402 1155064.153 950963.9577 53513.93497 49385.70994 46861.20875 52151.75876 Pro-Phe nan 98115.26254 nan nan nan nan 91776.30632 123711.5047 79858.03218 61874.35913 12058.49635 8488.204989 97038.22806 62070.08799 68124.46171 53257.96271 52415.16823 71479.91761 54076.39224 71385.71696 79195.56139 67252.47399 88732.36154 67042.72609 133779.9146 69085.48428 66465.24838 128947.1823 81517.70743 86033.81625 52333.56447 109544.3028 45485.81552 61604.06556 106298.868 118630.0558 44881.13992 28501.4478 88959.39678 97769.95937 54847.57461 111837.9355 45966.11395 62589.63601 48392.30906 71310.04613 24985.06465 44891.65759 84192.12461 88897.00851 91838.66303 38559.12331 55572.66451 93443.0687 29707.99133 74557.84909 62670.83882 79551.00024 30175.23207 97544.93461 57016.73565 78799.42825 60927.19094 65635.99051 52496.33711 119245.6637 100488.2677 117543.487 61296.32408 75743.08963 137672.8561 77731.09716 64381.001 92357.6546 85894.93045 60278.28753 68400.61103 124306.5111 87195.01586 45100.07711 nan nan nan nan 138494.5002 80257.43803 67725.24909 76295.80056 nan 11008.94272 49404.90255 deoxyguanosine 5667.839129 3483264.679 5268.739012 6266.471439 5184.364688 4999.587578 2990482.427 3006049.042 2382494.459 2363568.694 22831838.41 22843163.12 4671903.698 3566079.225 3500730.877 2699446.879 4813403.322 3982172.09 2540103.979 3040793.716 9320368.615 4530851.974 1928061.816 2309192.249 4724764.293 3408767.441 1803833.845 2287336.209 2640189.442 4574959.668 9092323.4 3082105.609 1638660.773 6512600.019 2352012.237 4730162.176 3450666.141 3347563.465 4715379.465 4009661.844 3363666.079 4293046.649 2308508.898 2484006.353 4541845.088 2597200.983 3212028.01 4769525.492 3367311.268 4308403.248 3223220.497 1505725.378 2432393.654 7692520.834 3297584.758 3793363.84 270122.0515 1579941.642 4921925.341 3342716.395 3437020.211 5141610.842 3449715.65 2382810.524 3132039.529 2959222.318 3790015.56 2325242.756 1591620.29 2241832.36 4864208.591 3412053.595 2922791.606 3018310.91 4043042.008 3115507.796 6461880.998 4820032.086 3394401.039 3444562.541 4302.141429 4796.343861 6136.710439 5843.222478 2752266.851 2654631.761 2134372.742 2149963.441 18750580.6 18542247.2 3501407.702 inosine nan 1370832.279 nan nan nan nan 980576.3326 957844.2042 2373681.36 2338986.928 694280.1811 694914.4401 8877862.727 1377564.286 1372775.512 678996.0997 1969260.662 1181029.405 625001.2489 1088276.802 1119732.196 1270870.324 1198436.81 1291317.181 8688167.346 1401062.477 573103.5758 690039.2304 1001426.567 1601728.706 1563343.106 1725549.061 358881.8762 1489444.405 1349601.115 8677125.938 1414848.778 1371253.293 1443676.435 1237187.95 1146916.362 943078.4904 1106259.877 673940.7039 1685261.766 523759.162 1048314.307 8788741.447 1397487.903 2724441.88 1280548.519 591205.1857 1916466.202 1656919.244 1726646.544 1367033.964 1432192.534 788217.3417 8823234.968 1396221.75 1453138.948 928790.6763 592369.5257 1043988.613 1281247.236 1505651.397 1242126.143 1134523.52 548087.001 850557.6323 8713302.465 1439465.196 1028842.063 1559818.749 1353430.808 1218927.878 2015985.413 8857493.11 1432275.123 1430507.429 6512.299961 6435.860361 7198.490555 6620.419719 1003080.148 1021394.015 2323402.179 2398621.219 743594.7269 736215.8712 1369321.624 sphinganine (C16) 139672.2228 4545818.913 131249.7276 114385.7382 123450.3834 120342.3537 242576.8739 234441.8407 201462.0341 219243.0253 6804580.459 6839009.393 1377331.875 3767627.636 3864095.25 410588.0897 2861886.009 3832961.078 2934239.283 4784981.55 6839017.905 4054206.262 1894143.868 2769111.285 1917631.629 4692495.129 3599048.524 650645.2333 3473838.055 5476350.803 4953827.263 3770326.878 3037369.835 5714231.813 3035826.938 1980944.17 4714511.391 4576425.844 5664058.725 4801890.979 4540163.815 6473375.361 2167070.794 548912.0698 5272514.238 4787618.033 4244202.412 2058806.254 4699850.74 2874402.309 4710912.931 2501726.457 2295459.026 8666452.687 415941.6273 3055950.687 6645447.037 2845017.843 2077421.784 4683469.225 4678442.525 3666205.389 4640491.187 4098412.771 3737965.344 2862605.044 4223191.528 2755805.777 414845.1994 655684.225 2038682.091 4709208.283 3336954.882 6132360.411 5558372.621 690022.9217 7082020.595 2030819.61 4624560.138 4698850.261 49083.80518 57504.18993 57012.82445 100474.3303 267739.1216 319768.9357 338231.2465 242826.8897 6749878.077 8155529.373 836789.1225 N-gammaglutamylmethionine 652.5754352 6286.819177 210.2642748 479.3585755 140.0143473 107.0139368 3655.104485 5618.177189 4884.84441 5324.991324 2673.245376 2421.963676 12479.92208 7159.411639 4287.493534 6949.270904 6161.552571 7379.071977 5542.073651 5600.954763 7226.596521 4960.772531 7614.888276 2997.797058 14621.40135 4472.596163 4480.087085 7660.193143 5773.145509 4111.363266 7052.130772 7873.885716 7676.509659 6985.912024 4098.491896 16013.5872 5383.655483 5391.767191 8305.548146 6019.123719 6401.59484 7620.597607 3299.35609 2590.54416 6876.891435 5407.713994 5317.51196 14170.15015 3352.402499 6587.474065 5795.462823 3824.325983 3775.064187 7635.676949 3650.018311 4281.230383 7719.458771 5232.21765 13328.70443 5414.614862 3354.205571 4934.506281 5574.213111 5451.330387 4506.152471 5199.738866 7361.331142 4273.38302 3513.421117 4862.05098 12340.36217 5444.083821 7168.309743 6238.488429 7987.457869 5649.205747 5351.326546 14203.86531 5525.917128 5138.009167 80.81212717 167.8322496 130.890099 nan 5540.620986 5045.995366 5823.687854 6909.648861 2117.379493 2971.300496 5984.741611 monoethylhexyl phthalate 404676.2959 482060.2703 394499.5042 426097.382 1409834.193 1404898.376 199968.6368 262571.0886 261344.489 276893.7435 464141.2005 468745.9653 3034029.765 414576.3561 409743.4275 519050.3692 509096.2717 358272.6426 325434.4843 275846.102 404112.9514 395806.0865 438972.0371 537079.7398 3485410.752 420984.5093 612173.9273 729977.8612 593557.5119 376113.523 529880.2733 418315.5397 613201.4314 392600.1948 468147.9897 3387781.93 437764.0216 447543.4047 401747.0449 561545.8924 313785.9357 986891.9192 403894.095 346357.8687 492135.5595 272614.2671 347825.2596 3667285.79 442310.7457 578258.4554 859675.0171 756922.3323 550974.1616 416481.0872 492392.6901 472532.3245 419486.3143 456082.7265 4232740.767 471189.2862 521208.6899 561795.0268 333782.8892 595257.8071 579271.9 786892.2814 485477.0875 552480.0394 407579.3772 621300.5219 4381591.786 474868.4733 462936.2788 474852.4204 495737.4754 394347.0154 432839.2484 3484286.392 462104.3612 454075.4509 451932.4353 592765.7244 205674.1006 211211.6598 278710.6534 252120.4117 265581.1394 228545.1609 574953.968 373335.068 281698.0772 FA(18:2) 16965.63328 101596.9656 11106.50187 16007.17979 13017.05251 16039.3702 102863.3068 104433.2022 79735.8504 85925.26289 52920.39656 49579.19039 152465.0481 107147.8803 100868.2855 81771.29757 121665.0427 70314.56488 70664.02429 76805.55023 96959.19027 62821.89626 85920.52167 81211.63468 151528.1993 91907.20384 78713.27963 50771.28648 76894.93004 82307.28521 88928.59974 62246.14175 72687.58319 105504.0243 64374.04414 156435.0422 99571.0658 90806.63571 73264.41323 98527.94759 72525.48714 87698.99526 105961.8433 45703.65859 115994.2445 76384.53494 56877.66063 138562.3472 84862.88013 104688.2462 63078.11519 78878.37372 83643.5041 87112.98153 88257.76409 85193.36995 80747.8451 55037.44282 140024.143 72392.92069 74516.29726 61216.26015 72827.19112 74924.67104 104752.9316 95133.19338 81726.61837 70619.70713 65065.33972 84781.82923 136304.4816 74976.8368 58043.35903 69849.6163 76778.24389 105186.9924 86145.63627 135936.885 68417.06607 75786.97627 8548.521709 13199.78716 11052.12119 11426.9638 109839.0435 113218.3863 88169.11542 87158.3937 46124.2251 38853.94973 104686.1971 oleamide 21097.06884 95150.8395 12863.47522 13291.18967 19148.08491 18577.8257 428286.6043 388839.4222 30284.65649 29063.90577 271890.3135 257328.1622 112001.8666 86029.22399 91449.24753 102974.7427 648663.5253 82567.6582 50243.83919 73974.47868 51145.39912 61235.74678 82928.15028 73263.51919 128776.9973 89300.24836 51030.53896 70744.84048 78836.58793 40916.56112 83849.54978 74620.27868 153450.8474 29943.59404 61742.79922 125066.99 95873.41253 90550.12639 64565.00224 80450.67444 51183.77199 51928.75143 44205.30536 59660.08517 37290.81335 52294.50878 28515.08744 110049.5947 87123.77937 208541.745 43599.98827 48517.9744 60158.4215 69123.19335 82473.39852 38578.6579 87296.3785 53016.53985 117070.6722 77839.78651 81090.4409 526020.5766 78084.62977 95358.87408 33261.10683 41473.65228 34945.93368 85420.20034 51995.28186 101280.0862 109154.9955 85904.36484 106651.8519 53205.07685 39468.32739 233728.7056 35226.60686 113950.4632 87381.29533 102926.651 8688.962212 7107.045486 9847.755276 8533.967526 313325.8626 317193.6215 24069.40482 28237.0374 233690.5368 229490.2864 96585.90836 FA(18:1) 20233.1191 27132.31759 14007.87013 15450.95243 9300.937385 20090.22584 44716.88867 39337.98284 21479.57279 28764.04369 14744.2004 11655.01422 132882.6412 27669.60505 32109.03639 22991.3271 51653.16255 27526.5691 20537.08122 20097.60147 39055.38613 19634.48614 21318.58265 18010.82194 138447.6303 30489.57108 23782.0825 20886.0547 18523.06639 21119.97833 18578.77539 18835.85304 23285.35229 48887.03367 17777.54719 133713.6378 28440.2069 29697.41092 19886.07848 24594.89226 18836.91648 29402.56974 21244.04729 19392.80515 21106.05614 20588.65845 19788.99124 94835.65088 33621.12853 19187.29784 23790.31281 23929.62748 13469.38014 41471.41162 20893.09444 22580.25244 21330.94754 24202.79893 96537.42333 32650.18177 35735.46076 46650.26063 19567.31684 24461.68912 18533.61618 27440.66202 33674.25435 21183.06482 28597.40411 28265.66908 113701.9719 24525.34771 33344.45843 21760.35998 28060.20717 23781.79683 19066.54541 128277.058 26583.88811 28567.07167 9790.31187 12407.28985 9440.935924 6507.156633 42022.36264 43533.91266 31897.94194 30568.05919 15713.84996 14615.06498 35170.05637 Car(8:1) 924.1579669 136147.7327 671.306567 390.8359252 1097.739631 1069.889704 264755.3682 271420.8747 85634.03292 89880.64205 106395.3738 126102.6321 64863.36909 134832.5059 128749.8594 44195.63121 49467.56613 264764.5282 88561.28881 118017.6976 105652.3237 82356.31953 116135.8758 79280.54631 56909.71575 126728.9657 83882.05086 124707.3466 328015.718 112430.2016 94079.94292 226063.9959 134105.9175 102206.8734 155275.3143 52129.42474 133478.7061 126244.643 104464.6144 100086.5337 518186.4424 89961.84125 55980.49405 91354.07817 64924.94412 172339.518 146251.1754 47296.96572 124556.6304 54675.86093 350746.8025 47412.94053 47389.71951 173563.2644 79500.36845 57366.69179 141253.7973 116872.1071 49134.40445 132616.7758 129290.4296 143964.6908 144684.4788 230391.3429 51587.9304 105873.5299 144196.8881 101170.5134 69584.77494 456050.6696 51828.02994 124190.4313 347007.3999 101836.69 172878.6682 68537.27723 155710.4482 44703.27728 126235.8302 126660.7016 918.3879901 650.416211 177.4266469 201.5158308 272470.4695 269137.9659 86706.99048 87748.20462 161712.4548 155840.0438 128333.7856 Car(8:0) 4957.806143 568846.9895 2147.17186 1567.183959 3067.081647 2192.797095 410830.8571 399018.9074 145019.5147 149026.3879 2541697.515 2515944.311 531288.7423 576751.3791 561503.6482 132024.7581 463584.3959 710299.7427 536697.6194 693160.338 901733.9781 667943.8059 821239.999 592208.0115 525186.7276 563548.3067 376187.0782 988760.1938 740598.2104 852323.6328 604623.7127 572086.7415 303960.8968 777460.7464 1526933.121 534431.1279 572651.3513 550120.5913 677592.416 849645.5013 599631.2654 533962.9745 116714.9659 259985.4747 556403.1334 983958.3858 556056.4383 537666.2013 558867.2009 487290.8004 845654.9889 133920.1392 448393.5601 1298547.21 534068.833 216700.4218 1284100.455 350994.2822 534967.0091 556364.2644 569395.0865 679043.6828 841579.8829 1214126.879 595521.4071 771103.9112 997191.5994 827814.3753 161057.3099 304255.484 543658.9326 572575.2574 716608.0202 926256.7339 1890022.676 415509.9716 947259.6501 527412.4239 564795.8645 558015.1959 1386.110347 2373.099102 412.7299157 475.6854481 395727.7655 410193.3884 146933.362 147603.1751 2481065.517 2650595.756 559951.128 Glu-Phe 2055.298598 30677.71005 690.6987121 1030.064612 488.2670681 1025.088752 47057.37176 51910.77559 34671.87518 37220.78074 4528.166848 4225.564988 25567.05591 31181.96946 30473.21913 28001.96486 24576.04006 26976.73771 30584.84735 21451.06109 20198.02085 30172.46556 32856.89053 27851.36628 21804.61444 28225.97438 22028.90549 29301.57732 25084.46369 27280.15791 27354.59772 34437.17096 33123.93684 20873.02831 41042.55284 20392.38402 31864.14619 31877.55515 31186.58779 23442.65412 28689.32435 29362.43013 25020.19292 24502.34903 34057.70809 28163.54025 26964.49856 25042.11826 31797.71973 30920.21172 23894.84871 33189.44529 42672.4536 20381.56795 31963.34063 28069.28978 31403.06878 33765.7246 23283.58551 27074.57357 34675.84432 31164.95066 24007.84899 33789.94897 31735.86076 55277.0527 36321.56833 36563.84696 29499.7316 33248.90431 23955.53921 32040.10896 31316.99869 31979.73754 31591.37009 26137.70091 26414.84441 24599.96175 31402.38522 33986.23372 1022.727837 535.6855754 172.0813315 227.932722 41817.62309 45058.10919 41410.52902 35773.8013 4918.636155 3617.952658 31530.26533 5'-methylthioadenosine nan 720116.687 nan nan nan nan 562007.1803 560905.4369 426975.8882 430278.6638 132088.9064 134529.7411 633940.6736 766052.7026 782239.0405 500258.6351 604787.6621 569118.5215 466586.8578 510653.1406 444326.6167 519454.0668 654848.2261 662474.8588 577588.6715 702916.6152 522953.8182 831155.5392 665096.3958 714065.5373 682950.649 672129.7451 517679.2001 367165.6736 834453.8318 548312.1116 704317.1204 736582.2927 601343.9845 527644.9684 516725.8644 494493.0507 682098.8585 424759.143 777756.4375 941079.2566 539973.9538 585213.5856 763849.9819 1087535.068 721612.0945 733575.6779 639235.0389 554678.7518 627384.091 716088.1034 592106.1679 540673.8017 579260.3276 731509.5522 739066.0838 870323.8978 719117.9082 631600.7333 646684.5056 752816.9204 620683.5072 936924.9475 451863.5083 642317.3405 584123.2665 751625.1652 1002656.704 500542.2443 592714.3838 745424.0282 489483.6897 574213.2557 748721.9152 713271.4204 nan nan nan nan 687117.78 728949.4908 525209.0359 515718.5205 158362.0382 156828.4971 759813.9981 sphingosine (C18) nan 49204.1125 nan nan 4793.766407 4585.247769 9879.071516 16328.4742 10095.20483 16796.85981 nan nan 56951.37837 36146.74857 33785.97946 33051.98833 2809.925481 23448.29539 26813.11728 20190.12226 7698.01878 29533.33488 24109.96898 6871.817638 68437.62559 40011.87083 32074.21687 23893.01778 22874.29113 27583.8086 23753.61689 35800.91478 36505.13864 25381.009 27951.78939 72299.42838 39132.43074 38604.90692 23200.9079 13724.20358 30461.60876 24839.66093 7732.11857 38667.09825 25815.03642 26527.99871 29304.09654 81259.74024 38566.58651 nan 43467.99618 33156.79727 39086.32632 13120.05021 50099.37254 37755.80344 54896.15673 40511.30366 85352.1738 42987.28455 50644.87217 49530.61621 nan 28886.32441 31712.23853 32667.58681 34557.07129 29341.57525 36198.07083 45714.93087 88528.70718 11084.03637 41973.05089 36422.22508 30844.25889 33692.12133 27600.25783 85313.36746 46291.26526 47626.91665 nan nan nan 6122.335265 14353.35138 24692.24593 29123.78604 22231.64006 nan nan 38208.02776 Car(9:0) 4850.435879 38006.15417 6101.274237 3015.588501 5537.90815 3738.342179 33511.80379 30510.41144 14878.78921 12231.83864 55122.03897 55735.29304 44741.87752 36839.57066 34367.71615 13551.73585 23488.54435 35975.59598 21976.03407 52396.70335 71585.13524 24606.48659 48610.58255 42498.78385 46680.20881 36963.20102 24563.31711 69718.99293 64248.56426 73609.73889 51105.68203 49944.17254 22240.54028 73994.91105 84896.39561 43467.30128 42138.51642 38603.99833 69537.133 76203.64577 31840.73686 26826.89354 12250.16342 20201.88801 24511.0238 69224.41164 40836.59192 46737.32437 38981.938 20414.4777 62586.03721 10863.58726 13519.13962 109459.0142 27811.12155 19667.08029 128423.7437 21747.37152 47567.55902 43297.65849 40501.83047 70879.79927 55789.18521 60149.41912 20449.63747 32881.84153 43288.07626 53034.02748 16300.02428 23042.56894 44634.39997 41075.25772 71252.9687 87216.47084 110070.4029 28251.87812 144574.124 46480.78983 42893.84343 40105.59131 1400.818032 1433.528884 669.205431 142.3069178 33437.92249 32256.82302 16268.02113 12929.0458 40460.91204 25449.25134 31133.86754 sphinganine (C18) nan 375602.4403 nan nan nan nan 83256.4779 107706.4793 107560.5722 125421.1398 20656.95092 23152.8749 1015230.195 262806.3953 285901.023 202276.2094 183429.1222 234122.7745 242169.0863 177866.9087 244857.598 199455.6162 208805.7214 188362.3002 1092100.329 317160.0715 254431.8853 266154.6155 240375.1422 462095.7515 205185.9095 314475.8052 296398.7514 189095.1892 238705.9331 1260028.581 332124.6348 309703.1639 227000.0729 270835.7038 317311.5526 359361.6767 247746.5508 249068.246 322684.4201 205353.1954 227187.2748 1306631.26 351055.3402 253545.2674 345221.2052 369524.6354 273084.3976 327178.5737 295112.3004 292181.0332 290879.0407 388281.068 1400283.756 358066.6181 367612.5244 378543.2018 221373.968 357563.807 278584.7303 486196.8866 314402.8683 246243.6447 248073.593 354722.5027 1418322.752 368021.3467 305216.6729 240410.3295 219528.4811 340066.4593 314771.7236 1371790.01 349285.6026 353782.302 nan nan nan nan 163253.087 155966.3827 230277.7532 146576.7443 26296.61581 25791.61024 296014.892 MG(14:0_0:0_0:0) 144268.4358 152558.2005 50030.8165 80051.60783 112290.8224 64122.62464 85904.38712 73898.58815 44406.79736 60715.65705 70886.65919 78032.72656 436971.47 139855.1148 148269.4533 79021.39859 191911.5203 105075.2414 81224.93218 147719.4562 212401.8139 84398.44163 114125.6479 193382.5987 370548.3063 139634.0807 120836.0878 131396.3551 114119.3547 256421.3942 145211.9373 131956.4728 133780.2228 160759.8739 150548.3427 501200.21 148318.1882 117624.249 151240.1066 167756.5252 122503.8517 104675.3691 161387.5525 129518.0763 217768.1888 133457.5442 121197.3511 437112.199 133627.4501 240700.5756 166077.2396 89619.94144 126251.7609 280264.3181 127627.3881 166053.2442 183243.9342 94801.91429 513618.3492 154662.2365 146981.0548 113849.5839 208351.1537 158774.3554 280330.1108 270194.2012 209252.4151 172694.4932 154955.1958 70656.61885 445624.5624 141664.2343 136301.3208 276545.4937 196096.2429 236088.6762 287351.9406 412608.3999 173981.4525 160773.5638 68291.4363 59987.46959 42562.37505 38778.19289 93274.54765 98160.75866 85513.81312 75818.53638 111343.033 114567.2023 141365.9323 Car(8:0-OH) nan 88169.21471 nan nan nan nan 412642.5297 398694.9804 68952.67342 67932.73421 76478.23219 75905.30138 32624.12987 91542.933 88076.59642 48781.99545 45424.7929 112959.0869 104115.9717 81950.96947 33668.4896 161401.4346 57150.22005 37237.28003 29991.58827 80072.70701 101884.9441 74993.64852 65191.2759 64425.80256 26501.07765 49086.56184 58591.33497 60296.65595 84802.72156 29688.58997 80676.42424 86363.99336 51365.92541 79097.56287 61883.48751 94925.1205 51781.4624 65596.87248 74473.66857 86368.8656 115167.3564 29515.54144 83913.95724 40212.18148 65863.38509 67105.69696 45320.91649 130251.7175 104279.8284 102421.9564 135125.5638 72617.80213 27468.4898 84171.35379 85023.96133 55657.96899 75960.28334 67746.18858 71530.44135 219594.2625 240929.5427 57138.57027 59468.69412 71678.8634 28046.32709 82259.62641 63055.55707 68157.91985 151075.9484 95883.54621 68031.64637 29565.80448 78839.32725 89214.8431 nan nan nan nan 347638.2986 373620.3021 66318.48354 64699.89901 68964.59722 68063.23301 80550.92337 gamma-glutamyltyrosine 13320.57022 27012.28532 7396.596402 6775.44734 5020.684245 8507.493768 34763.75528 42024.64432 26012.53401 25285.00027 6796.225406 7482.304915 24775.50336 29269.71114 27540.42498 24447.56582 28866.3067 31812.7086 21533.90323 18401.92447 24705.2692 23687.7519 20179.60656 20551.98267 27962.99053 31153.96365 25125.14553 16017.21606 19639.94281 20224.75771 19613.68975 23201.94356 26638.03728 26295.94642 20824.02876 22693.3222 29223.73181 26858.04623 16957.05702 22065.23674 21022.8668 25720.76022 18973.77749 21459.12239 21840.12872 16401.35868 28971.8956 28434.07154 32923.519 34551.34165 23675.2019 25927.40022 22578.93941 20083.92374 24219.12396 24173.19145 35174.47069 23889.36864 25757.14369 30394.28237 32509.06476 36057.01975 18890.88041 21715.28376 31189.986 41610.27494 32967.1243 22472.38188 32102.47943 29586.85258 32467.06938 27935.52236 28476.58374 35037.29168 23984.20807 27664.13359 21458.80828 24718.44343 33526.91813 30458.01796 1236.821213 622.2519721 290.4313933 421.7592445 54628.56827 48261.44116 39828.26166 27977.44847 6005.282601 9263.757167 27828.64185 N2,N2-dimethylguanosine 7226.763314 20580.66226 4264.707768 2841.35473 1769.330407 1553.853335 17078.01055 14473.28679 11448.78495 20707.92518 10497.2374 11113.74901 25638.96724 20911.36943 27132.14383 13833.99678 17897.34392 16426.69191 21162.32533 26366.69224 28269.1835 22876.69533 20079.02473 26167.13743 29951.36543 18498.95083 24336.91066 26609.74447 22303.67116 24072.04123 35546.09084 36405.28329 18295.548 27913.19644 25263.57155 34062.25654 20873.07227 31209.02929 30855.56496 34305.58818 17222.45668 19218.22854 17005.76849 17239.51364 17849.59367 26799.58037 22152.88374 28950.57557 26194.22827 26384.03755 30515.16839 22306.63159 24364.53016 27872.68444 17304.49824 19495.57666 34600.71315 19128.42569 32480.0334 21805.7083 23036.24398 39206.35622 20387.26799 26271.65135 16455.62078 25136.5741 26248.28207 29029.31355 28448.61285 27521.06906 32352.12687 16324.78323 34708.94626 33653.77006 33844.55334 17004.6493 32768.18802 33687.72708 24124.54755 23387.91532 589.4465039 101.9052476 102.7883405 119.4836297 11707.25234 22489.2959 19997.56133 22951.51428 11200.86321 9598.711163 29240.96172 benzylbutylphthalate 929372.0329 483734.3866 774114.7193 826135.7696 941294.721 1049991.889 177703.6496 369278.0405 201687.5368 229401.44 495127.883 407400.5287 820405.5685 648874.4267 819026.485 391312.1546 548825.6555 632214.3087 705680.7522 388912.7599 376803.3162 667967.5844 1209963.888 1501324.653 1005760.872 671351.5633 673964.3098 530193.6445 672604.2985 479291.3413 578089.8672 984374.7825 729940.5682 626279.0882 897997.6044 1013365.584 470702.8996 423623.3531 520616.4609 353347.6617 978007.7738 951391.4816 1012185.415 551829.925 497585.1683 778645.1074 562895.5482 1091494.92 592213.5714 730650.0517 581263.0967 651075.9332 795560.7082 590835.0858 697102.0943 621845.8621 571954.5849 602360.2348 931996.1887 565160.4139 542706.2761 402016.7704 562424.0328 1122264.518 987437.385 522812.0291 1140542.665 607768.7239 778885.777 447976.0668 1051242.877 508070.0552 1443565.329 455908.5533 298374.777 1261238.937 316946.6032 879894.4243 332796.9282 356265.8846 347681.5525 446582.8394 373702.1511 405947.2137 133979.2623 94737.16962 116109.8042 213475.6858 343293.3067 636537.3251 248281.6216 Phe-Phe 4799.074815 5596.981673 4981.565988 3394.936388 3119.149438 4976.38955 7387.612989 8469.794486 9596.680879 11323.22926 5159.574847 4513.815791 5131.820783 6905.45152 6638.398799 8219.394355 8952.842407 7461.605424 10526.90508 11878.90761 3902.944339 8258.883979 5917.20218 7743.095389 6010.272928 4784.299881 8560.155155 7268.93682 8399.44697 2763.772221 10470.48581 9874.421524 7861.017997 12624.13226 7471.705778 7933.055329 5550.724518 4420.629429 10199.77453 5822.355199 5860.159423 6290.951141 5807.466537 9308.564463 5268.472964 9844.387649 9163.503503 8550.300213 6446.589319 7739.652079 9601.394471 13855.58827 8833.033303 3882.730322 3765.680626 12330.50509 9775.929022 8620.737909 6800.390141 6141.793764 7141.526821 9844.69695 6945.333764 10202.28538 8388.319766 4107.474037 6617.856626 7992.314961 12359.28477 8118.898962 6162.850237 5467.745837 13098.25737 7313.534574 7782.124831 9545.112343 4144.979651 6367.279859 8566.327821 4036.635446 2050.613184 1432.564455 933.63717 1421.473352 6304.949661 7146.987593 7168.29757 10017.93245 3664.310957 3782.536907 7312.742717 Car(10:1) nan 169546.9563 nan nan nan nan 263699.3372 248795.45 101137.1892 98880.68909 42077.05854 42298.69541 153926.6375 158855.3726 162104.0245 82631.73826 77074.2436 159604.9728 147715.6719 161039.4726 145463.9509 145201.4376 113873.6257 89902.46411 160169.5689 165222.7029 118620.3671 209826.6185 308208.5532 68126.07892 128562.6648 231957.4563 119768.5216 175357.2045 168882.1543 156371.6578 166592.8517 161369.386 141294.7312 215689.2565 186340.1657 137251.6943 72610.50946 90178.20251 94088.37908 190007.7447 188021.5603 161805.331 162434.2559 79700.87326 314268.5611 115974.4126 53327.88861 221718.3905 135464.2023 93354.96907 272406.1115 131608.4753 152908.7279 168219.9803 169968.494 157280.3391 162777.1982 262629.6567 83159.56654 239143.7042 185544.6717 145076.4896 110814.778 188512.3022 152338.3988 165283.3814 397299.9006 161576.9487 267513.4852 74377.20285 189218.1789 148900.5782 165839.8115 174136.9871 nan nan nan nan 250875.6609 261108.4589 110395.5092 106447.503 38083.95111 40849.07846 167921.3678 Car(10:0) nan 1053767.359 nan nan nan nan 876018.2878 881890.3743 239146.733 235826.8095 3002001.49 3029999.414 1076717.453 1024049.498 1026087.685 242329.7597 1067758.035 1461464.702 739632.7738 1725774.542 2330140.16 1074675.181 708022.4075 638864.5382 1117825.467 1058644.628 838044.6269 1514696.954 1522379.092 1887612.652 1095634.996 1288224.381 496445.2193 1760094.417 1456128.498 1128395.55 1067740.519 1041223.992 1594259.625 2059828.386 762090.4275 1144332.727 244385.7062 468535.7473 1089144.828 1900003.101 1295022.342 1156509.559 1020080.614 804814.817 1533173.352 240610.5975 359258.2062 3573958.818 933005.4704 406835.6915 2960353.43 576252.1843 1169926.005 1041526.492 1057259.559 1408397.48 1635592.465 1200846.692 942158.7906 1058167.086 1846361.795 1080791.337 314791.8239 324375.822 1173068.658 1051892.995 1404063.377 1770108.669 3107693.176 906320.9324 2070694.391 1132817.229 1062299.156 1064510.34 nan nan nan nan 908571.5078 915727.5593 248809.1943 237999.0079 2944548.103 3041869.021 1024056.27 Car(11:0) nan 74160.01735 nan nan nan nan 71089.32375 100741.8282 56496.1185 65343.9446 58997.5381 75133.86128 45321.11322 68635.2206 36776.96257 6564.929007 30797.65059 61277.13074 30663.38971 92887.98356 127743.3462 39171.45574 62161.58955 18616.90291 51242.20547 71947.41752 34361.22957 99607.7947 94064.80136 89667.29488 44641.12764 84124.10994 21962.25253 134930.0019 119816.3756 46436.31481 73526.70482 63396.83908 73217.19334 101409.7708 36186.93414 47269.22778 26993.08059 21696.20739 49762.85528 135562.1358 57356.1257 43263.19165 68499.49032 90524.20254 103310.0277 17398.8022 72232.60076 189158.4539 33814.53962 29175.78044 155812.7637 29578.6857 44197.28879 72515.86499 70703.26632 94713.14452 93247.66492 84709.17518 40698.12112 56633.97339 72977.65787 72309.76091 19953.23116 48426.68053 47906.80916 69535.30262 105135.1136 136977.393 249390.7773 45753.15638 153526.9807 53281.45364 69638.60927 68781.84009 nan nan nan nan 150191.8006 148735.0328 92640.14298 69391.83699 130311.0917 93849.7541 65060.70381 MG(16:0_0:0_0:0) 101308.8544 2106966.608 129931.6596 117460.6341 135925.4479 131905.8736 1103182.952 963315.9571 691066.9087 639123.2233 125014.0622 104146.2194 6697941.696 1840944.818 1991367.716 1364243.468 2935414.763 2017442.746 1635817.757 1760962.112 2378873.835 1375159.676 1641513.22 1547150.926 1068047.102 1795682.37 1929661.192 991285.7915 1960347.044 2096442.704 2022007.138 1840612.572 1384735 1883270.01 2292853.056 6622520.402 1848094.211 1582691.613 1517021.89 2586803.31 1685749.828 902280.6547 1363115.001 1007185.232 2147938.436 1136940.421 1753746.787 5223249.189 1442294.913 1355911.087 1720653.212 1770234.096 661325.0516 2072249.873 1090317.831 1437308.665 1097236.061 1012047.456 5865282.77 1239001.106 1365888.412 1610534.54 1472313.499 1553938.131 2412792.326 2114349.405 1835560.7 1155270.897 1076119.648 1189336.442 5727721.403 1442459.652 203248.1484 132362.1749 231108.6962 1741456.723 1659635.813 6325655.576 1314350.943 1809955.441 132737.5999 126286.5258 126247.0736 117336.6324 791085.3368 830464.2994 461913.9743 641963.3721 188603.6464 75044.11696 1687654.494 Car(10:0-OH) 3963.634159 47755.90916 1678.072105 2068.863601 2602.606202 1618.241848 64343.64158 63671.22255 33568.03278 34862.28167 233041.5228 212368.7569 49562.33938 51409.80638 53826.17864 37102.88757 48200.87717 48778.54204 59138.19729 67112.08911 55563.2141 73473.37794 33339.89037 23479.48622 49170.08861 52645.51238 54412.05837 49360.12612 53744.17556 43639.00763 22883.10708 50211.08629 40108.73785 41188.09833 39681.67574 44759.63726 49817.58931 52064.91436 47883.26644 75596.49261 31821.57359 51455.02174 42167.26038 50054.53386 47007.10459 45031.55216 69585.77175 47304.80683 51493.3876 26514.07113 50763.8053 45956.45953 23532.96465 95875.24828 54918.65582 58913.80174 68104.01445 39835.10195 53370.3103 51515.79901 56294.87357 31682.88653 56510.92848 58696.19117 45525.14788 54681.38863 80125.37022 43066.98914 52117.3499 35279.70142 48389.23228 53840.93506 54336.48024 44380.34306 61201.96556 52137.89466 38716.21785 44176.20474 49617.91476 53941.23253 1662.198766 1699.136363 1476.316086 701.2643781 64700.63028 60664.25248 34003.75132 32425.65867 210061.862 204031.9006 48477.12364 Car(12:1) 6775.103388 1315722.453 6044.904011 6256.269524 5437.566921 5433.315005 379511.9653 562777.1523 161172.1756 199027.4785 1859013.225 2049781.739 774265.9135 1135960.258 1160069.393 290471.2285 973964.2911 1921593.454 740173.4171 2385836.946 2741845.386 1293090.948 576998.0209 590860.4313 846874.7349 1136202.094 1210185.338 1638422.092 1951358.536 2040274.045 1041854.986 1446524.315 593700.0506 1879695.95 1207492.579 864301.3561 1157189.768 1160684.968 1757912.714 2893087.05 703768.3279 1553260.914 226276.5989 612108.7787 1122869.087 2369354.219 1767758.445 882988.4517 1176192.081 490653.185 1857586.534 222973.3045 200663.4512 5819572.938 939849.0704 448157.5086 4343686.844 610137.5384 917074.8588 1199569.254 1212787.583 1708761.879 2254479.118 1225614.488 859512.8147 1142011.249 1901498.258 986819.2484 399586.6428 419319.5146 916742.3712 1182059.55 2079385.132 2016344.568 3889424.434 1032600.355 2351654.043 868631.0255 1218263.336 1221801.997 nan 211.3295273 354.6186642 1032.67304 1068214.382 1133413.939 262082.6899 254060.9586 2014088.784 2069598.949 1131721.245 Car(12:0) nan 4373496.002 nan nan nan nan 2487205.156 2773525.511 578528.8315 609686.9311 4937680.889 5120468.514 1313313.852 3614611.048 3781594.184 1038328.615 3766665.37 7239490.929 2907820.297 8089809.833 8350922.67 5143284.683 1591320.765 1654714.634 1580497.84 4216487.598 4724713.909 5119890.944 5889521.851 7670353.389 3638067.255 5027694.049 2376540.716 5481131.524 3642895.231 1586621.35 4255424.279 4111813.18 5489308.383 8269343.506 2958698.977 7775435.035 967902.5249 2298139.253 4031310.956 7589362.246 7553521.287 1592575.161 4213062.782 2439708.304 6272862.191 927212.3239 821630.1945 16677545.08 3939311.55 1785405.959 11635287.22 2628894.233 1582381.297 4049545.29 4136870.662 5254918.839 8024575.285 3155290.98 3689438.756 4546460.134 7478213.111 3133810.06 1438092.68 1149390.811 1517575.54 4110683.881 5274290.457 6086634.224 10037247.62 4104005.915 6632030.362 1482411.697 3979807.621 4032694.981 nan nan nan nan 2802831.666 2827800.659 675190.3874 594314.4042 5214085.428 5497744.116 3453999.029 Phe-Trp 3402.640704 216808.429 2352.622217 1599.074853 2367.07302 1883.558666 352866.2763 359136.0339 290039.2509 288293.281 2550.279999 3053.315426 235074.2859 227035.2255 226877.3268 130201.7562 161977.2612 164336.3783 183814.3919 302991.7591 169637.261 140632.9665 386225.8328 316824.3089 222709.9938 229669.0249 170378.9604 309848.8967 264688.7461 306682.7133 199143.7851 349347.8362 116082.8084 265156.624 392249.9335 235663.6385 227227.5985 222043.2518 299716.2833 266328.8977 177258.5459 127352.4823 79158.1538 120253.2177 96227.52554 318827.8235 221975.3387 225307.6966 221124.5266 233073.0058 319173.7559 154629.0964 111843.57 291308.6931 174865.0227 105461.4815 428384.8094 173445.6706 260077.9632 226178.6187 221427.7468 323518.5095 273149.4578 344922.9959 150463.0023 276152.49 175702.7781 412565.4177 181560.814 119497.5568 261051.5942 229467.6458 299545.8567 330608.6614 426366.2466 74942.99933 405491.2769 243713.3351 229404.4001 219805.8083 950.3298411 847.0501986 nan 792.2070098 364179.6332 366136.4143 296678.1636 295543.6723 2333.878499 2618.03741 213287.6356 MG(18:1_0:0_0:0) 25785.41324 4177814.525 43092.23776 25676.98205 30108.66002 36594.5527 2274319.777 1950883.953 1019952.477 1020025.094 227161.3969 216078.6049 25110245.93 4285909.093 4615529.921 3432812.1 17446871.85 910829.9978 1935585.729 1601180.503 4420392.301 907361.0296 3581028.139 3456603.476 25339949.88 4642076.083 2455918.572 877328.3886 1835883.79 4585896.936 3760129.327 1279617.921 1693504.264 4082584.392 1233572.017 26620550.8 5212274.792 4576942.532 1306742.375 4384342.331 1635140.476 1503349.991 9750848.591 725207.814 13013304.22 3794559.466 1716086.872 23819522.17 4161971.278 4727845.997 1399367.651 6211233.843 1665420.226 10619664.27 2327784.873 4021805.957 2222917.1 921829.1577 22683698.05 3261525.415 3512647.971 1286598.061 3093454.596 1379646.266 8291730.315 3767798.161 1985723.109 1198155.905 1586543.592 1330538.379 21500111.46 3401199.521 1345652.319 1862568.205 3461120.174 5554809.479 2089134.162 22528379.52 2925077.666 3733709.357 112053.3276 116353.2981 105494.2778 108228.9096 2680184.286 2734044.228 1256971.291 1570452.752 233455.0912 235670.2256 4334965.882 cortisol nan 18290.4144 nan nan nan nan 30324.70281 27452.72972 32154.98584 35705.07016 6600.024071 9324.232973 148785.8481 13105.15514 20809.22955 6276.777099 5347.018985 9261.39694 3511.703949 19608.92755 21023.37328 7301.219036 18941.34244 12090.81158 85355.09237 27028.71942 3801.513826 35316.59164 14126.50328 17836.80201 15966.91221 24840.8669 5578.493476 51070.84593 38133.96628 32322.53606 19872.11183 18775.31312 33341.90587 39834.01365 3426.271825 7976.602233 3070.236383 5101.844856 5600.574439 33120.77759 7007.171533 73098.14519 16044.95673 3089.753223 29183.40539 3592.384305 5648.367965 72089.51785 5679.841173 5279.974229 53665.92307 9735.077138 94023.33644 20278.80053 15869.24772 55277.04627 35884.46409 17699.78757 7113.11276 8742.360824 11934.88276 24076.4647 2828.076903 4254.329523 94225.76448 19869.34721 51625.71248 44630.86596 57016.84186 2911.41425 50630.90351 43620.52423 14937.10385 14103.50672 nan nan nan nan 23955.47277 13858.84646 19496.94013 24178.76603 7132.671368 5240.21593 18369.72929 GMP nan 415963.7306 nan nan nan nan 622116.8564 621981.9298 493683.6121 478377.8484 nan nan 1618941.638 402149.4517 413684.8374 221261.0843 278048.4763 375483.5155 351783.0449 527131.4923 1454837.851 315264.8029 199111.2083 276638.1366 945620.3445 478210.3393 186836.622 203658.5777 306569.8295 555859.4307 1104282.292 389958.2024 205172.6037 1399087.372 439680.3805 1544571.732 517378.3278 401311.9024 927902.8403 436160.0144 193849.3653 455461.0278 258933.0765 228766.7741 454405.9477 824675.2319 212470.3492 1585950.476 306443.6146 653865.0703 681273.6095 162026.8673 382426.5729 1011115.133 384354.1834 98859.23257 491653.5243 308907.2096 1609207.277 495157.527 378236.5973 1096509.808 614206.766 361999.2096 210113.934 374941.2052 430408.8185 483609.9517 139104.1329 287320.3446 1514069.276 569646.6186 361210.9912 1033425.948 885334.9738 333401.4722 1018894.691 1614697.543 409812.3669 301884.6228 nan nan nan nan 702317.5895 713383.5367 493374.2229 366106.0411 19904.87208 7460.109243 388767.1539 Car(14:2) nan 2447933.287 nan nan nan nan 2143122.846 2337962.351 450036.5749 450799.7083 2808380.687 2184743.888 1260472.498 1983845.262 2265365.034 526727.915 1851808.743 5416648.241 1611909.792 5348247.809 4456886.565 3255131.903 620274.9366 585848.7368 1488726.66 2478237.317 3293632.78 2798790.661 3632204.037 3312369.731 1848870.984 2320650.584 1181798.993 3878161.582 1733967.741 1502442.807 2530264.739 2465227.664 3395426.001 6019564.398 1598925.443 4844839.913 328571.4661 1139770.4 1972531.529 4881462.167 4335557.004 1497301.247 2411336.839 1005315.329 3412283.508 439078.4796 207872.8387 11788956.61 2358532.16 784078.7217 7740771.703 1421555.672 1500321.156 2339122.906 2443389.365 3069005.372 4107867.112 1685315.142 1786296.93 2824846.31 4625120.332 1094521.235 697322.4024 584932.6979 1463056.177 2387418.689 3699337.886 3552482.065 6721028.08 1996428.836 3840931.053 1405439.143 2247625.606 2228438.483 nan nan nan nan 2533386.506 2525627.31 525345.6825 477848.3979 2922792.629 2471630.283 1925287.346 cholesterol nan 1895557.165 nan nan nan nan 2002970.606 1973377.42 1727939.036 1746312.726 1155442.632 1168784.056 1071181.85 2019370.548 1897460.267 1723908.252 1580640.433 1743165.25 2276450.834 2317891.551 1792964.396 2014420.36 2647307.672 2379537.122 1008303.874 1901817.515 1747214.872 2319068.362 2393948.953 2155129.297 1965075.945 2117295.649 1700873.07 2258212.103 2789661.342 1000074.933 1983313.104 1990696.107 2418343.734 2396374.73 1863388.225 1667874.524 1668467.794 1719459.195 1689343.676 2308816.001 1827499.43 1011223.313 1962623.625 1773306.567 2379374.882 1953323.599 2017217.387 2299985.007 2141600.276 1951901.092 2511147.831 1900961.773 1005888.77 2050456.152 2020560.875 2210881.437 2622694.489 2990262.541 1750432.292 2476765.263 2255897.839 2681688.752 2062043.661 1918395.762 1024297.46 1920662.4 2643090.054 2452068.124 2894113.446 1617557.478 2561882.002 1015323.001 1949840.964 2034670.585 nan 41367.6115 nan nan 2014828.528 2089484.895 1767926.517 1868508.166 1228729.461 1259383.399 1950823.015 Car(14:1) nan 6075541.113 nan nan nan nan 3365157.387 4219017.543 896965.8173 919751.919 5202081.086 5355198.499 2846842.295 5330380.801 5496826.041 1226456.631 4532502.635 10875972.45 3584277.026 12351062.03 12544919.45 6643543.263 1603547.954 1573358.999 3327305.959 5858148.943 6891587.991 7282516.024 8691760.545 9228148.687 5707705.542 5846180.28 2911809.821 10107992.21 4516502.696 3349216.131 5817624.513 5855206.811 8127746.604 13533582.52 3621357.653 12405437.33 806692.2857 2642772.284 4820560.396 12429970 10246349.05 3444021.251 5945424.965 2902211.661 8857819.85 1171167.013 561862.7388 26867557.02 5850089.319 2415344.436 19998421.31 3431370.215 3459918.681 5885616.02 5867583.458 8164327.311 11194661.09 4273928.655 4818285.504 7022067.903 11687662.79 3523871.107 1798072.277 1277329.504 3306004.998 5943884.117 7871019.731 9189159.758 16524149.49 6030768.113 12074373.41 3309438.246 5768733.219 5914108.867 nan nan nan nan 5477260.678 5278439.742 1341033.094 1072961.744 5671787.783 5659644.46 5539762.784 Car(14:0) 5376.292286 13554819.78 11583.5902 9292.517254 8763.656788 7413.324652 5300023.045 6617256.933 1638522.846 1814128.452 13661493.05 14485867.69 4931317.004 11966119.64 12326845.75 4038010.679 12510760.04 25165220.34 9917873.542 18903814.43 23834824.52 17692095.78 3888181.421 4182093.497 5769022.535 13542764.09 15747877.37 14341438.06 15253889.86 21582266.49 11776929.86 11928364.3 8948261.327 16360217.27 8835312.254 5728067.515 13649489.73 13325165.58 15072162.5 19933074.77 12322957.72 28084365.31 3630547.338 8198119.883 13154387.89 21608134.62 23816528 5783619.45 13150104.04 8623452.483 18504500.37 4372427.124 2808049.208 40201827.91 12745196.67 7561271.295 30073955.48 11438299.1 5714627.376 12969822.3 13311509.04 15916640.7 22122544.22 8056067.969 15042460.39 17496015.13 27118478.58 7533177.033 5450215.067 4812301.474 5549090.608 13062635.39 14287950.24 17953818.51 24453135.8 17557861.31 20173120.56 5434215.504 12741548.1 12852514.21 nan nan nan nan 9438777.847 9810307.339 3422793.888 2418494.375 15938110.42 16741767.02 12540115.62 sphingosine-1P (C18) nan 411421.7625 41731.0334 11640.5012 6523.362015 nan 269774.892 302013.1532 206620.8172 210060.5296 258231.2608 242799.5245 106657.3278 377341.3507 392408.9582 372227.5613 315417.3134 360007.6573 413429.3008 444217.6065 345902.3972 379495.2131 361385.6793 331571.0071 124564.0406 437391.1387 486016.1282 439682.8053 472646.3738 388252.0137 372820.0321 426345.345 421997.7574 396482.0806 413579.6778 137524.3225 428985.9344 411487.2799 428886.1318 396792.2353 435954.5654 499279.3665 299471.6608 451636.6013 357919.9314 532149.8042 463604.5232 127613.4113 422125.1503 227111.778 518515.3392 487360.5356 391150.73 301370.0245 357129.0364 325003.4299 425953.8005 391601.0511 136932.2809 448984.0597 421874.9929 525949.2418 370251.3327 531246.116 308541.1485 531681.9997 416414.5869 379791.6716 430956.7144 412350.8267 132913.1474 445880.251 538419.9443 395994.2155 427404.4888 361810.3245 203710.6973 124473.5573 444198.4787 417049.2108 24467.47095 11259.29281 9908.309482 6336.350377 306652.4502 324660.4947 309903.257 213311.0166 242630.9371 243924.2292 409188.5358 bis(2-ethylhexyl)phthalate 89968.68797 1600433.555 72177.97218 97058.56721 120863.9787 137857.1706 1809701.472 1128207.345 1217015.836 1201302.809 1640955.336 1507101.842 1690414.296 1811569.317 1698274.382 543920.1516 758217.9248 461933.4153 566089.3884 976958.1814 1221204.352 894761.5699 802237.164 945292.8243 1525783.641 1641496.134 792180.5736 614444.1501 845124.3601 873697.699 814016.228 840015.4672 1147433.918 1110397.798 1148472.349 1597912.485 1595600.958 1697621.57 665321.0463 4196354.848 770761.3516 1429545.669 952465.0546 698581.2692 643471.7146 2272433.055 819043.2367 1597222.958 1739382.83 920083.0816 1191622.55 1260838.114 621741.5101 1045462.724 1231526.366 1320238.39 1233532.214 823284.5992 1618315.877 1799971.199 1924701.86 613950.24 858519.7057 907854.4986 1226380.6 1011264.007 962172.9352 941110.2619 1015761.428 425557.355 1283633.325 1452690.544 709327.0232 895756.374 703254.5501 878658.8378 951570.8508 1277477.81 1173167.578 1487683.086 704048.888 116529.0328 69480.38312 79659.91599 1265573.382 1278563.484 1732535.572 1116102.314 1573896.747 1732347.594 1678879.947 deoxycholate 4273.229383 42475.5981 5391.369206 3696.505967 4894.135268 2091.685199 3549.041199 5834.201914 5541.088395 4954.771703 67004.20531 72954.82216 43594.91669 37771.02558 35693.53314 7273.169166 5163.983718 7422.489599 8116.768135 7512.420606 187920.7772 7854.031559 16674.86345 25612.37232 48157.87286 40383.62886 6738.316857 11746.9488 34312.64702 24471.70818 53521.38579 19934.60167 5752.288094 174374.6312 22644.01398 49787.93047 38790.95829 37644.17844 13750.49541 103770.1471 7057.938368 6912.852683 6466.901227 8512.673491 16043.59756 54461.21867 53895.60779 56249.82671 40889.66311 12937.3492 20769.68132 8652.244733 15539.00937 662735.2758 8110.243433 11189.87169 15416.94646 5071.160232 57474.24992 47159.47348 37852.25936 14338.78922 9202.472497 7497.83371 6987.478875 8042.750294 8870.175679 24322.26427 4882.334832 7032.293185 38834.80822 36374.5932 39227.72702 111258.3341 180433.5994 11346.56835 11244.91602 35035.21888 30690.13886 41602.0559 3438.953189 2349.73046 2807.289373 2639.35244 8681.821448 3596.313787 8430.785606 6299.484669 91968.82144 90169.50394 28989.46501 Car(16:3) 8306.958219 1254829.224 nan nan 17491.6202 7700.009319 72810.56398 80387.89675 139882.4601 228228.7022 818183.2803 1104977.926 346262.1059 755656.6259 817344.3161 627653.4267 1896587.099 1090626.802 1178061.014 872668.4773 609355.4981 984298.3459 1292714.719 1401149.213 791463.6881 1422954.011 971478.7122 1087705.564 884731.1718 984689.3316 714043.8818 1019667.424 897737.6801 596359.8739 901038.1007 675845.258 1367911.778 1488577.626 1167088.185 1035374.105 1669155.988 1230986.931 1339485.73 1113845.246 1144356.624 1014309.692 877290.5601 720900.99 1475588.579 1193967.957 1533740.326 755962.6431 1219513.102 939096.3492 1002485.158 985591.8154 947166.1933 1263934.926 555133.6586 1305327.107 1259520.542 1030586.073 1052036.742 1160486.863 896579.6037 1173037.886 1108909.659 779612.0308 865183.9449 908090.1948 660104.5092 1421874.647 1130249.482 1225142.18 642692.1312 1152329.051 2477296.911 704113.9341 1348197.939 1365235.286 nan nan nan nan 440332.8834 539068.5054 767266.8572 630743.8922 1877810.765 2122966.024 1168249.928 Car(16:2) nan 4463529.728 nan nan nan nan 2251487.614 2902788.707 732415.9039 837711.6575 6033724.439 6515404.611 1252563.762 3618467.004 3671050.689 869584.6885 3219582.022 10102514.62 3057319.042 6927556.054 5361286.261 6892462.268 871979.5664 756049.3713 1559665.129 4139527.601 6096457.587 4728927.773 6369107.844 5887712.545 1959256.028 3434324.796 2515044.136 4636305.815 2818620.352 1610115.424 4124314.328 4009284.56 4300668.097 9815752.644 3619319.521 12052333.21 741599.6491 2295219.437 4608152.615 8099480.656 9607569.152 1608099.069 4100731.077 2109860.345 6143540.121 848046.8246 514199.8364 20000896.43 5558964.8 2490664.397 13966970.27 3912864.625 1631057.697 4161971.341 4194857.642 3820183.385 6544008.411 2581379.101 4874867.316 7043886.263 9083700.209 1906881.9 1373634.732 1680756.532 1593225.335 4232615.84 7252197.994 4607431.685 10838400.77 6917083.72 4982795.095 1578933.119 4146353.179 4195557.787 nan nan nan nan 5110895.231 5438257.016 1624495.745 1212177.042 7198205.211 7554477.53 3881519.403 Car(16:1) nan 12717051.29 7572.492463 nan nan nan 8691112.883 10698422.01 3719739.809 4184168.122 2973662.468 3114831.309 3634689.88 11624840.93 11665720.98 4896370.544 11868406.78 16447872.31 13102026.15 16455271.37 10007411.12 17943247.87 4910626.032 3652954.366 4046083.467 12841347.19 16153411.82 12094226.13 16196402.39 13594284.83 7192452.89 9338259.933 10158141.7 9471916.292 7462857.308 4190602.808 13197254.02 13363290.99 10646022 19186367.22 10473010.16 23665831.44 3844656.517 10207300.28 9183331.443 17694528.56 24723586.34 4315493.609 13623552.14 7024944.847 16225510.29 6463173.241 2799328.568 28937438.6 16683045.08 10553379.15 21189547.03 15939093.68 4273752.403 13787872.7 13682562.39 11397522.81 18993500.59 10709545.3 17640173.49 20601793.05 19983115.14 10057279.88 8544860.586 5550068.827 4214071.264 13840432.12 15614488.36 10774491.21 18334144.31 15802374.88 10594950.67 4114147.038 13057201.49 13225932.68 nan nan nan nan 15215045.96 15463766.4 7365733.667 5090838.306 3294558.66 3348976.879 11705241.95 Car(16:0) 7184.390121 26042915.32 70824.66154 18163.07918 15511.21629 11325.59519 26225823.91 24884337.36 10245403.1 10169580.85 2941761.11 2932724.581 17733360.46 26965790.29 28036429.77 15216165.37 26666948.57 41581093.18 32115749.98 35932502.87 32169489.27 34722704.42 13204132.98 11273303.45 17709856.95 27397661.71 38811755.84 20178907.3 28339080.87 26727206.31 25970801.3 23173415.98 21737625.6 33238315.2 18714060.13 17954641.59 27414325.84 27434823.87 28470595.12 32043573.93 24289476.29 29105323.54 14092754.09 18278220.23 25022092.03 34173475.8 46216441.95 17802994.72 26797025.74 21499770.15 26381530.19 19905325.45 11363192.61 46923961.05 27960593.14 18228851.77 33137179.08 26842339.18 17841396.51 25729331.6 26056935.87 33277244.29 30027689.11 17985302.36 25962202.55 41345140.15 49957460.69 16357097.25 17234923.52 14724371.36 17508960.27 24677492.42 33296917.45 30544544.44 37825864.14 19083182.97 22453553.19 17329462.06 23199102.79 23135652.32 17252.2296 17663.96903 17513.53123 16045.2788 22882605.45 23250139.32 9368536.765 10114938.38 2873887.629 2856978.706 22503601.63 Car(18:2) nan 1043923.067 nan nan 62756.89686 62259.57461 616266.6374 786427.0246 389871.5309 416583.5617 159598.6506 162264.325 1015405.928 846236.9175 967455.1785 320441.8091 1138952.755 3449921.393 1007818.234 1176661.163 1108807.864 1498282.91 244771.1119 169673.6086 1230541.643 1138507.571 1597039.253 818763.9406 1350693.235 775559.3193 1076506.585 610616.2026 130749.8013 1295018.804 361629.1715 1267940.219 1134863.535 1174081.724 1047780.713 1563269.317 1296717.318 2716631.404 290426.5368 758357.487 928101.6722 2424433.075 2034056.786 1228219.334 1001616.78 891723.7076 1458660.917 513730.3227 118437.479 1959531.628 1267227.902 678742.8004 1216335.252 1723210.309 1378867.354 1056613.28 1007289.601 1149620.38 1378112.052 509155.1336 1363369.237 3307864.372 2535939.041 469828.1757 518986.5162 707197.7616 1340196.508 1053133.694 137720.2473 1348792.371 1554276.366 1109780.815 828539.9182 1269448.503 1005380.005 1008790.858 26701.17158 35238.02565 nan nan 1080662.798 1084455.601 708166.1208 480772.6559 184238.347 183662.6861 881164.8617 Car(18:1) nan 37917167.73 93698.32949 23028.90989 10489.96204 6610.123569 38736545.55 41322947.34 14008710.12 14019765.01 5776969.279 5727048.699 18106866.88 35878574.93 36584396.8 16244151.95 28212182.11 44780483.55 44055041.57 40617765.62 29528061.64 47972401.16 20708679.52 16228956.48 19005022.54 38446176.64 40369109.87 38095989.91 39881768.32 39071578.9 30841275.2 29046035.29 27416467.44 39623312.64 30819176.7 19361114.49 39594368.39 39871507.82 35889398.02 44531849.56 34523717.66 43930693.29 12379869.75 24188443.84 30171122.56 49911250.11 46930186.59 19218238.43 38512961.59 32147950.02 44613612.6 19784316.06 13436589.13 53868346.31 47159826.78 25177608.19 53907831.67 41709304.21 18594308.48 39470264.13 38793541.31 39427185.99 42618899.11 34547657.13 35070927.19 68145161.31 61585201.45 28556111.24 20929141.48 17857020.58 18562277.7 38181765.86 44076395.8 41587608.65 61186413.96 32942234.46 37435738.97 18330206.23 37418538.42 38021930.64 23141.40289 20745.69664 18423.45883 17334.22252 53384049.93 53949566.67 32847661.51 24539873.11 6842387.276 7173639.817 35214618.25 Car(18:0) nan 33715710.85 103357.5997 29233.38963 11361.94107 10298.07795 14319406.19 16291170.85 6121592.061 6302566.972 39182544.99 39677733.01 26906709.02 29694718.75 29744383.55 11237694.8 26062572.68 58070451.66 25546443.17 43103072.46 78133039.8 35655790.56 7844837.92 9363774.729 30119274.89 31930847.97 32005868.8 29866408.04 28345090.94 43383412.73 53766299.54 23418869.29 18056091.68 62522715.37 16919882.78 30610881.82 32046082.98 30843861.49 36724991.39 42756054.54 24910070.19 59368166.92 11640899.54 17806234.3 31077129.69 50726390.93 34736199.7 30355199.55 31022194.54 25601302.24 38797323.84 11595152.06 10129375.64 86281457.41 19903274.74 18480854.55 51791215.25 25593331.33 30949079.24 31062516.06 31127215.55 39725509.19 51344330.88 15549925.89 24172690.25 34895510.8 62429284.98 13168180.91 12683309.17 15148821.45 30538991.21 31410482.28 24558242.38 51415589.09 57901969.86 43944155.38 49380141.33 29893456.38 31069655.19 30912726.78 16847.41805 19022.94707 16284.70864 12854.16748 16693223.31 16616200.33 9153322.424 6469350.455 43282597.35 44679118.88 30700760.85 alpha-tocopherol nan 226410.8144 8227.329513 3979.861694 nan nan 198754.1075 188320.8359 166898.2913 171759.831 34856.87387 32749.82256 169860.2698 218687.1323 220895.0357 183217.5612 181564.6586 183578.3762 253896.6741 310490.91 264022.0886 203704.8867 334051.2573 322978.0657 168201.6925 221945.5196 191242.1889 372075.3396 327588.8822 284280.716 254750.7762 310044.9496 171940.6937 376252.529 357275.5175 169382.3013 227190.6375 225033.2718 340847.1077 334824.4884 173979.2739 173255.0374 165576.0461 160077.7349 158873.4473 370719.0531 172568.1704 171583.2656 224043.5187 172861.855 333489.1718 188522.5582 182117.9004 334793.9163 166099.4969 188960.2503 366400.9688 174006.5903 176604.874 231909.0486 223333.1452 317898.12 378509.6031 384157.8496 149466.8879 227584.2367 212230.4867 322191.7562 171522.7462 154036.5563 171332.3772 205055.1407 315695.1376 352725.6008 390100.7395 183439.9898 390414.7382 164547.301 204612.4655 226908.481 8175.357096 nan nan 4547.165024 183626.806 189225.5507 176823.2595 168206.7229 23388.70154 22980.83834 210656.8078 glycochenodeoxycholate 15298.02568 823980.1115 15255.6599 12231.03199 12214.75433 14009.67407 142495.1162 156173.99 422117.081 430465.2217 12154.48352 14688.24407 559587.1149 650464.4803 615138.3519 284948.517 951338.9274 529802.778 618473.4458 197419.2256 508365.4797 795063.7209 216512.7976 270223.1237 687150.0875 734249.1708 280887.7731 764022.507 1094179.742 556427.6449 354660.4122 392345.9212 460366.2415 379056.2048 1112271.668 720954.9834 761530.9792 760707.9853 480487.5288 1849684.782 296420.3498 2289632.89 264885.8461 230074.6313 8222483.174 635396.9318 1573755.092 760379.2972 818338.0832 3364720.082 259834.834 426946.4741 789277.482 659073.3054 1308829.498 308566.8576 613053.2802 558879.2158 758488.0328 837973.7357 811171.1617 368282.5265 235209.8886 519102.165 1461152.943 540350.3641 611928.1073 399799.165 481535.4773 328927.5456 751505.8128 860471.3261 764463.8465 271712.0371 1072310.808 878895.4818 295546.4053 732784.3724 836653.0669 866812.3924 5337.53601 6493.130674 7833.488796 5635.247736 222628.4698 213030.0078 316197.1626 344676.828 9280.685681 13307.19991 636541.9885 Car(20:0) nan 1957047.473 5559.28042 nan nan nan 981332.4145 790176.4476 410746.1585 393698.3081 145274.6249 94246.60908 1366934.959 1613990.157 1858937.076 320291.5919 1807168.104 2830405.558 1624539.972 3634029.404 4259101.049 1715886.024 378153.0068 375671.7952 1697103.423 1800882.944 2157265.246 1005752.059 1240950.402 1651345.771 3159165.458 1755837.225 941273.8676 3529097.517 860889.1114 1762371.413 1867770.616 2077753.263 2175230.757 2217563.593 804559.8476 3057982.732 279230.8046 851382.9298 1233651.327 2762574.716 1137028.429 1632677.205 2118528.204 1488077.581 2855962.758 333534.0306 392544.9385 4067735.666 1016250.649 394257.3695 3561910.533 1378489.012 1708607.694 2188072.107 2155637.901 6479723.317 2272953.718 1218908.024 744404.5272 2297763.842 3689810.333 1092839.856 496084.631 484559.2042 1605518.738 2145598.392 2099107.907 4200867.765 4861912.819 1428791.282 2068012.002 1580065.404 2142669.184 2106235.204 nan nan nan nan 815396.4207 752422.5275 541013.9939 373311.4935 nan 57423.21901 1844109.983 glycocholate nan 19963818.15 7930.688518 nan 3242.112355 nan 2618696.103 3107267.604 5745495.271 6169493.361 369340.3775 332391.253 20900043.53 19094930.85 19439317.97 13489370.62 22778871.76 6562835.646 6295985.444 17318280.89 48406962.73 15456288.86 20251391.46 21533210.88 22977229.9 20972973.63 7921695.035 21824829.52 27064724.44 36931304.44 31474864.71 25179972.94 7076583.973 29408847.97 27668408.94 22834533.79 21287418.46 20720180.15 15178196.38 29907390.53 3384427.167 30768439.11 15149781.01 5226741.023 37581155.57 32801679 29604306.94 23413789.2 21371712.8 26739034.67 24367751.43 5100037.626 13721662.69 33649352.45 21464504.03 9405472.239 25438647.85 12245401.36 23912359.24 21593131.58 21977683.37 21804773.33 35512443.15 25907916.07 17842084.54 5164104.08 9842148.695 19303731.05 8744348.385 2162273.425 24110816.65 21976256.46 19949125.12 30229025.24 29912524.62 17169633.87 8630966.125 23615513.69 22169547.85 21951436.74 4117.657339 4756.023306 6189.765262 5687.077086 3742929.211 4038224.851 7041963.575 7583584.178 395630.4105 425867.214 20974216.48 PC(14:0)PC(14:0_0:0) nan 959297.2889 nan nan nan nan 726996.2301 711192.5129 960097.0737 968122.6188 292299.8067 271671.3251 866371.0175 682515.3756 741477.2423 699937.7717 807766.9366 566614.0337 700537.638 444205.4449 732358.0613 672874.865 965407.9712 1347258.658 1012815.556 816840.4089 715224.712 598496.4168 639749.9892 948454.5177 1222676.715 868280.9323 755784.256 509504.6136 786176.1638 1044754.71 817374.3865 850967.9056 833660.9405 698998.0966 890068.0831 889231.9218 1320879.793 674500.7645 1534611.074 673731.8326 723593.0956 1079757.37 893099.2635 1644494.643 796771.2682 933684.3336 2066601.793 608849.7042 767280.6064 1145987.938 728591.1756 986416.6866 1133185.462 885273.9102 903302.395 1150595.956 580315.3583 754240.7013 942853.9541 1356732.584 862315.6395 1105788.3 804738.9272 1091818.612 1092707.795 922296.7622 817640.0986 743749.5085 646999.1201 1169756.426 637071.0275 1093711.017 862633.4248 842211.4438 nan nan nan nan 823945.0158 754622.5157 1509695.713 927418.0856 296079.8025 293943.8923 818847.0506 PE(18:2)PE(18:2_0:0) nan 541173.1866 nan nan nan nan 515650.3292 552226.0653 590982.7458 608926.6089 44093.1788 nan 463942.1695 594624.2778 591523.3312 392844.7499 303183.2514 962482.5983 698483.9985 539004.1164 777948.0015 913764.8374 594355.1435 607648.7206 515792.7638 561541.2247 834012.725 246168.9954 583506.1608 465792.0877 528234.6192 845165.6317 745225.928 664515.8791 787376.4809 518865.3069 564192.9626 534208.3868 701684.6763 539795.8126 976704.3367 811326.6351 424865.5699 722666.4456 425618.3838 456516.0933 732370.2204 562300.4544 519587.1722 470461.7224 752213.5439 244638.4638 949502.1724 218682.1048 995606.893 284687.0988 808546.6003 602539.9136 593826.9752 530699.5246 504975.4643 881679.2957 509046.1983 730727.9224 515953.7188 486075.8024 850699.8028 571268.6909 452379.2891 1055473.46 611948.8088 486017.879 752308.6877 687529.9024 452855.4919 530968.886 765568.0116 566139.5298 482470.7091 496085.5165 nan nan nan nan 464701.2639 448303.1323 679428.5699 470294.365 nan nan 444226.9315 PC(15:0)PC(15:0_0:0) nan 958534.0075 nan nan nan nan 710888.0771 721141.7017 825355.5254 867991.1316 1044245.9 1088901.688 670306.7735 853677.7211 907588.2178 935026.5516 1052916.497 623760.5708 678116.1737 713138.3014 642767.9683 725615.8279 711823.7395 683942.275 701929.2609 1133341.088 724341.0546 889751.1499 696315.5436 889506.3072 898906.8638 612493.1042 599038.7384 641801.6725 645151.6352 668255.1387 887364.8755 974520.8666 751973.9128 669451.5066 714804.582 1192102.571 1412820.197 801684.9038 1465244.782 731679.9492 815253.1488 695214.5836 984284.4098 1572890.305 763188.3843 914589.1788 1257817.608 848091.7894 889823.7477 1526209.195 754987.2342 993740.2067 710559.2657 1070725.052 1063168.154 853499.7101 891497.8629 789615.0682 965623.7652 1556766.119 954010.6517 792214.7948 844592.8018 1004546.015 729985.5983 1105590.067 825291.8322 870506.0416 690873.8012 1587751.221 568431.874 718647.3235 1087379.344 1073913.45 nan nan nan nan 1140035.855 1151611.819 1602569.745 1291160.259 1268666.925 1377069.437 1106325.814 PE(18:0)PE(18:0_0:0) 4921.700029 1720473.139 50841.68079 11850.42647 14193.89352 8332.76899 1138783.998 1098279.857 777419.317 802263.2963 754614.8639 845642.5041 2554365.506 1682133.189 1739354.466 825263.0708 1168807.754 1461055.673 1203889.229 1999260.75 2238989.787 1102782.606 1326746.174 1871086.938 2307863.628 1626710.239 1404623.419 1368750.898 1266244.32 2026592.903 1323984.362 1742238.532 1228019.467 1642750.888 1735506.247 2678789.181 1566414.327 1313920.396 1622050.368 1453023.174 986623.7498 1385474.265 1148527.797 1153762.994 1526203.955 1527477.136 1251497.483 2625307.425 1433643.272 1488523.168 1725093.841 871110.7567 1621786.346 1484071.783 1480859.374 989344.8351 1787274.597 1112698.754 2781033.972 1586816.434 1548286.452 1698948.969 1758374.974 1604597.129 1062895.791 1430034.744 1689863.497 1115235.465 848858.1306 1236035.131 2404390.132 1702858.792 1396721.052 1752084.96 1871534.167 1681650.785 1772023.297 2426135.685 1678032.104 1683222.315 18396.47208 9337.275325 17912.33961 10658.75243 1075300.211 1134952.745 1116648.045 828706.1516 1027295.01 1032555.356 1427378.657 PC(16:1)PC(16:1_0:0) 10659.29966 2578044.007 7939.010421 14925.72129 10651.73399 10287.22962 1558808.97 1489997.262 2051854.795 2052877.931 813727.3354 828431.2552 2366181.235 1883733.386 2060691.107 1781463.549 2274808.619 1183678.155 1487399.261 1234892.487 2043540.315 1304055.603 2425061.735 4417011.349 2638850.522 2183568.327 1584508.116 1430496.347 1522346.442 3855463.085 3872896.211 2118991.113 1716064.269 1293743.688 1979871.821 2752327.956 2220563.835 2354515.388 1920540.997 1706021.317 2008976.499 1607673.317 4308004.009 1442202.104 6102074.396 1945748.605 1782540.577 2942205.864 2435383.129 4138076.155 2345439.455 2312979.728 5001487.136 1424850.552 1572591.581 3302350.877 1569768.728 2162465.404 2991169.704 2389046.324 2544975.765 3075074.226 2026747.972 2099837.002 2400400.175 3038733.145 1487431.917 3151296.302 2017771.418 2269759.295 2991738.705 2623176.517 1672153.332 1915377.011 1722402.98 2516045.495 1694594.242 3030271.636 2448230.193 2419693.713 13737.48289 9640.913096 7428.31733 8374.512381 1830238.985 1675596.885 3284465.363 2069553.105 882179.8019 889352.1613 2357923.043 PC(16:0)PC(16:0_0:0) 50545.35241 36550203.93 131412.0694 67417.18897 66289.88756 75544.89179 40409783.69 41659081.34 41639225.01 41140246.42 29271159.26 29321910.72 36021920.3 36319659.84 37255878.98 35403640.57 38914403.95 35693008.46 38006693.52 36985313.46 37600970.16 36007226.97 34931184.94 36900141.66 35508106.14 37777463.31 39560185.65 39760760.62 40178118.93 39999649.56 38629879.79 36601032.73 35628477.63 38863378.95 35364787.66 36078449.76 37050211.49 37300585.96 40024416.51 35421477.65 38484696.23 40358838.98 38475302.99 36723973.82 41029587.92 40271978.91 39671189.15 36431512.69 37936542.24 41881208.93 40861344.96 37618883.01 40007572.62 40297093.16 42121945.85 41020608.41 43650457.78 41397578.44 36835436.79 38449290 38851096.01 41982012.23 37830020.94 43220002 39236698.17 45714861 44414088.82 37699795.07 41996289.16 36466355.68 36443994.07 39675216.09 43413326.53 42057284.53 41268284.31 40246146.48 40331796.7 36185431.76 37830730.46 38321533.06 717906.1513 299249.6517 177533.4511 125052.5144 43119245.18 44009393.73 45701927.98 43661337.38 32097397.87 32197672.46 37599581.44 PC(17:0)PC(17:0_0:0) 6377.066872 5470637.106 37593.44317 29471.51036 11350.82559 77456.08346 4872336.98 5004675.879 5312310.103 5401493.657 2288059.982 2373491.984 7440338.266 5085132.112 5405334.708 4632435.344 5705989.765 5838651.587 5450650.725 4238521.077 6272419.818 4885720.733 5379317.449 5906883.852 9066671.59 6093536.689 6013514.48 5674153.818 5890784.071 5562653.325 6279918.324 7479338.429 5146705.114 8182431.713 4793683.899 8576655.077 5764710.725 6077549.584 4631207.606 5620404.375 6123318.878 8187543.355 5504681.058 4915543.451 7578572.443 5193139.613 5731346.049 9075358.877 6429895.461 8582773.32 5592046.17 5775465.437 6706535.199 4303656.744 5574935.251 5590388.976 5832830.83 6580479.37 8452782.397 6636135.609 5689083.63 6755245.261 4109365.284 5933567.656 6053348.391 9897602.869 5479492.62 4578657.899 5252786.086 5950929.222 7914065.981 6744552.993 5911330.278 6442922.073 5577627.086 6819328.923 4794414.35 7887674.511 5926401.182 5788207.843 60253.61864 87312.19443 96599.11176 24284.68547 6506784.388 6260161.755 9628021.792 6586334.708 3034598.029 3072075.667 5702250.004 PC(18:2)PC(18:2_0:0) 11643.75269 16433521.18 27541.34175 20052.13258 18447.43572 13851.07544 14975859.71 15726161.64 16331440.91 16176933.45 13793605.21 13880328.07 10887522.96 16164109.77 16614543.5 16361239.91 15795628.75 12287547.72 15961573.86 14765606.12 16316935.71 14094403.18 19628536.48 20821997.13 10958180.81 17160828.49 16089449.51 17443504.76 17431369.31 20074613.96 15552853.55 16489432.22 14453026.21 18349566.92 19102090.17 11304796.65 16713618.34 16949299.09 14773793.92 18104290.91 15845925.62 16034651.68 21264582.85 13549491.21 20801848.66 16895544.49 14619592.14 11410470.24 17152023.65 14564210.3 17310624.48 16782829.17 21518830.04 17106947.46 15233374.62 19614096.92 16451941.26 16888656.27 11596275.3 17346196.28 17425596.81 18448531.26 17854400.56 19155133.93 13001998.46 17798334.4 14598748.27 20130676.71 15536663.56 19992442.4 11448889.77 17778512.87 18798759.95 17376668.84 17780451.62 18670118.66 14164377.6 11174152.22 16752094.33 16915511.46 135704.6496 53474.22129 37090.96019 29551.2563 17172635.17 17272935.59 19231477.83 17530306.5 15637773.95 15878597.11 16481390.7 PC(18:1)PC(18:1_0:0) 10959.35312 24747896.42 27104.41398 12407.19064 13516.62492 11077.77504 14717269.47 14647022.01 16565047.69 17431807.24 26015265.2 26803342.37 31702747.9 23836604.66 24272668.58 18047642.41 24385924.41 16441611.27 17955488.07 20628103.74 19887106.11 18625109.96 23596871.37 28080354.62 33353925.76 24991624.08 20196479.66 23809501.35 20535956 29422021.75 31642914.88 24148330.48 16782836.17 18335853 22057434.03 31507467.74 24279105.41 25459769.12 21591914.67 21980100.2 16977348.02 21736135.91 27691265.34 16172990.54 28512538.43 24767711.37 25500561.34 34557538.42 28191491.73 39023568.3 27071698.63 21755146.68 28549804.65 25663919.48 25591145.14 29178163.42 24636132.85 25110838.63 36054608.45 28170693.86 27670350.75 30031334.16 24429751.77 26081361.75 23796687.33 31068641.89 22855154.54 30570438.32 21660537.75 19019057.35 35613373.02 29109121.29 25772674.65 26745632.92 21830032.81 28212820.36 22783050.16 34253116.8 26900549.96 26698181.3 141958.0805 55166.72302 41171.23685 20826.7137 18514475.36 18825883.83 24590988.18 21443590.21 30354348.17 32252723.45 26789597.64 PC(20:4)PC(20:4_0:0) 11078.58002 27003676.77 21172.51208 15770.89585 11290.9863 10758.95997 29309658.43 30566817.53 26645321.42 26429475.6 8984624.154 9019900.646 27133775.87 27062986.54 27821808.17 25518230.71 30219401.17 21486716.29 23519513.96 24369217.42 30142009.95 22771300.68 26570059.36 24551703.47 27522607.38 28905666.72 26081991.25 28257054.47 25530609.13 27860921.1 26256300.22 20296277.54 20494079.09 35026646.23 23210394.64 28193771.88 28552750.89 28794092.12 25971854.92 31931435.98 22938506.8 28552364.73 29377654.96 22408261.58 29772369.76 31820508.48 26893897.7 29311436.08 29299772.34 34593361.07 26541381.11 30471624.71 22738595.45 35526708.82 30606196.31 27698791.65 32318153.75 27043170.31 29251305.63 29628879.95 30094355.47 27818475.52 30388404.1 28931234.61 30800769.17 33963754.76 29926500.16 27597563.45 30308586.98 23403308.04 29395123.07 30726878.69 27666824.12 31292476.18 38633759.15 31216050.61 32217295.15 29199564.36 29081440.41 29376707.2 51560.02143 28449.48113 20149.28715 20578.18369 33909052.65 33875088.69 32196889.14 30111472.69 10409122.27 10510070.66 28805756.23 PC(20:3)PC(20:3_0:0) 29328.12893 7945273.115 127970.1276 59702.9553 28387.49261 20259.37812 9948909.541 10373892.18 8430250.337 8433898.815 6767950.096 6804169.543 19959440.58 9296616.109 9426100.722 7672989.265 11696158.74 7732483.478 8346628.723 8853388.492 10501138.88 7480205.709 8136159.841 8148094.226 17732997.89 9373759.309 8824229.539 8360249.788 9265788.871 8903000.735 10028502.54 7988946.969 6734232.163 9620644.917 7570882.919 19538318.69 10495056.11 8938001.291 8067779.765 10574827.94 6600128.306 8223880.125 7652580.645 5539630.355 9752432.118 7845296.885 7236365.338 15987271.11 7899967.139 9207355.095 6958386.621 7089200.809 7182992.573 6903042.373 10524749.8 7658211.671 8863490.003 8046106.181 14162916.25 6631253.07 6790856.727 7178615.342 6377996.68 8653897.665 10461687.1 4498495.575 9333199.799 6523052.533 8169733.601 8818016.977 12933314.68 7920443.886 6742348.237 7092364.316 7517097.222 13243099.79 11079128.14 13608696.57 7690253.72 3275839.803 318017.4875 157763.373 112372.2795 126453.6653 14199633.51 14554368.51 9123653.156 13338615.02 8024412.726 8401623.783 3429812.715 PC(20:0)PC(20:0_0:0) 62484.34731 1405099.699 41186.27366 40292.60075 38550.80089 38234.50838 1070125.759 1026370.502 1037500.432 980899.8047 426484.954 447184.4918 3425406.31 969409.0238 1047625.647 846573.4495 1711544.77 881147.503 977951.4583 774903.1411 907987.1155 834682.1884 940132.9821 1161586.802 3585003.671 1250051.628 1207264.946 1052686.495 1055213.295 1226316.619 1136058.236 1292163.035 1129871.792 929387.0715 986383.6921 3721016.193 1240410.171 1183112.533 848974.7508 1027433.422 1014474.457 1325006.168 1119308.557 781365.7554 1665304.982 893051.41 912478.8527 3376192.055 1085825.675 1155580.37 1241890.749 1009943.425 1151699.497 1143681.788 1160921.015 1143800.17 1396501.64 1421663.765 3564070.658 1324053.907 1422549.902 1807414.872 1076027.484 1557556.22 1692739.119 1919213.057 1021407.562 1444071.018 890241.8275 1436807.339 3522919.241 1876401.934 1872625.01 1480850.35 1226768.583 1663373.769 1107085.083 3665624.575 1528032.851 1406562.864 13531.63201 10427.16264 12194.01189 11818.12968 960993.2493 896853.7799 1520377.395 882679.7034 457914.1306 463890.7009 1161269.501 DG(32:1) nan 753998.4788 nan nan nan nan 862279.0473 847761.3101 834561.3289 858906.0803 550496.0636 583727.3775 1294470.61 744497.2122 656215.213 1110406.193 642342.9195 320091.7203 673243.0601 519662.3327 589912.556 439136.8172 1325036.201 1661709.69 1050085.643 650131.8447 403540.1224 412782.3597 593361.9795 1079146.547 866732.4707 457230.1987 869606.6607 655574.9938 935495.5347 1050143.88 705736.4183 721722.0592 591424.1264 564549.0529 889142.78 355949.1751 1029411.859 630984.9736 740387.6221 615374.8527 588215.5605 1116989.465 640460.4219 646928.4082 512316.046 1285429.983 1204732.842 644219.5718 426331.5656 697784.1302 578402.3151 679289.6426 1191423.943 746845.9026 680818.9502 707998.1755 754135.6392 786741.1234 838562.3375 1063996.685 492402.6119 1252367.506 1222838.089 813759.0322 1241855.324 708276.4874 389121.7065 554648.298 824164.7532 376991.445 810757.9421 1185213.719 727356.735 723437.5119 6649.576884 6937.635127 9977.05423 10790.96947 861570.2393 957094.4618 834529.2169 988423.5335 644025.9759 616875.4512 753851.139 DG(32:0) 19934.89459 810142.8832 33467.33212 21584.25346 26090.0989 28560.9342 539058.9108 559491.272 512238.4376 528163.0471 793094.9529 693242.0193 1085127.853 797733.8424 899313.396 998322.9546 465914.1018 462688.3603 836307.876 476050.4886 514229.4749 586156.6221 711604.4421 1107625.527 1018222.492 769377.8222 561578.5302 529722.8652 625731.9472 855960.4916 513850.7425 509645.9233 1210728 524540.4262 1319626.42 1032302.974 700143.5173 813579.6986 625377.5514 533705.2636 1179373.954 643674.9909 603943.1886 808924.8733 702810.454 474454.7597 905523.4838 987272.9494 740857.4303 422250.4501 587725.8327 1027018.89 757451.9869 548154.6992 620935.2004 614860.3097 525525.0979 928504.6675 1010906.108 791735.9074 733977.2979 730739.484 541139.7295 862228.604 713787.1052 1295116.185 585140.7925 857803.4401 975776.1154 1053190.101 991476.5677 713731.1559 595788.0081 430658.8724 639510.0747 400071.5652 537625.7297 950538.7429 701708.5694 727584.4462 25743.1365 21408.88471 23230.99422 21509.31039 642825.8328 635736.1821 734488.7532 597477.8946 886547.434 895821.8426 826273.6671 bilirubin 2613.392189 23072.15775 2111.844838 1173.978565 5331.508467 6098.412358 22557.81623 12762.02749 13613.43092 11086.31006 3017.860253 2238.731552 26310.40509 25891.25506 20158.42225 25334.94886 30991.86486 23951.65329 30486.96376 17999.93074 14321.58866 11893.80825 24857.77384 21801.71499 52691.12534 23748.18868 30995.91718 19300.75465 16693.54983 18601.83335 16824.56056 13779.66973 16055.51542 12967.36969 18357.89707 26124.35391 27030.16388 22344.97819 18190.02069 20058.54379 19215.881 22850.10566 20963.35229 19618.64141 27765.6465 27686.56342 40221.19786 33474.55208 23564.88298 31193.19493 26649.29875 23116.17902 24021.44765 20860.24185 14678.7423 21395.91682 15009.67941 20927.17264 36362.39993 19362.75348 22062.16645 19052.15054 19616.34351 29289.59125 25561.0771 11137.36189 19293.49028 21497.27763 21155.4692 20317.73464 45225.17059 23335.63412 20702.88479 18490.90626 30831.33878 32108.43174 26150.63938 16013.54697 23568.49908 19696.57692 6907.396413 3531.090742 836.4200904 787.8807132 8351.676415 14551.54646 11048.84909 13832.06752 2545.355125 1365.471989 20032.23638 mesobilirubinogen nan 24532.96954 nan nan nan nan 19505.10262 21202.05464 14833.67411 18606.79658 nan nan 49523.37657 24912.39589 27032.96799 26881.00836 50109.22673 14575.51148 21279.66669 16480.34235 57704.62414 12826.44166 3823.572698 nan 50535.03125 22895.05882 4378.227829 75091.06784 5891.66497 11367.42581 nan 14414.54491 7747.077313 20186.604 5102.915503 47647.24173 22833.46436 22986.92974 17152.11435 123256.7219 15550.15006 17238.42163 52247.74076 16141.14365 15505.55561 9899.474129 13358.89335 48101.31016 22083.61374 7315.945609 7869.057376 10834.36884 16930.75491 23539.44932 16703.83466 27447.59316 27399.56422 7270.816104 50241.44481 26757.72625 20587.64039 7511.652066 10892.81198 15609.43534 24524.63144 23953.81819 27339.11269 11900.30929 3772.482304 12851.63279 50505.80192 24055.16041 48451.29931 36588.20949 19557.59999 34149.49734 28714.69139 48354.39564 27917.3134 20442.30753 nan nan nan nan 17592.54596 18099.87807 14684.2713 15336.91257 nan nan 24143.8391 DG(34:2) nan 25117479.92 17041.16219 11708.37257 nan nan 18079244.87 18279795.97 13048574.55 13136817.38 105341929.9 108125030.5 58083060.94 27013958.74 26047605.38 24468916.44 25934131.76 27754404.82 19140152.06 21238006.88 42706366.94 20891227.54 14678431.83 18380486.38 54714013.28 25438670.46 18677419.75 18695729.21 22191117.8 33856360.4 31084502.9 18224109.23 26144241.21 32517444.16 21967687.91 54715228.15 25210730.41 25064204.06 22977017.57 29139248.18 36663066.89 37631952.88 21115942.76 22291543.37 29842870.15 25122667.53 27432398.24 55173745.1 25415382.75 19980416.52 26119292.59 21919574.72 18908337.38 45816345.47 20132506.24 21004657.14 32324147.2 21862943.4 54777399.04 26364157.22 25602607.63 27591244.98 25842774.73 21062694.28 28473621.65 22339651.74 27889915.68 14702501.8 22455154.78 28738943.54 56967969.59 26271547.98 20019586.41 25969435.4 31228176.85 33918845.42 38370797.5 52379553.71 24898766.11 26224894.62 38097.05896 18363.23569 18825.40072 28406.71755 18860996.28 18376259.77 17053151.05 13531838.12 111205286.8 112113277.4 26678288.1 urobilin nan 290444.3209 nan nan nan nan 253434.6017 249590.2543 180570.6104 181799.6273 nan nan 712786.6634 274755.0372 276055.1415 224137.4062 766039.9851 300345.4436 172777.3353 192689.2389 473352.2701 291358.9348 80138.9523 131687.5783 686669.8465 271819.542 91735.32817 161664.1771 121500.8883 132768.647 358772.6884 179434.5276 180327.7984 481552.6657 167614.2181 696650.0929 280356.851 265799.0687 202768.6402 562793.5622 269684.4422 394049.0222 88821.4875 170820.7722 173196.3331 309200.5218 321900.8156 657739.7837 285432.9772 273366.256 202815.6939 169554.9134 207414.7043 369492.8881 208896.2255 166224.329 169592.704 324161.2698 739453.8074 288722.1755 293551.6863 286970.7436 241745.1814 114024.3109 386317.2791 388872.7626 412471.1724 158201.0424 244011.6762 310398.3567 766802.8854 289228.764 153302.1271 120412.0092 133475.6566 132824.1605 645117.9483 711592.4824 281131.9925 287555.0069 nan nan nan nan 236217.6635 234240.1564 176529.7592 174714.2316 nan nan 262270.0147 DG(34:1) 33317.06562 15087659.73 46521.04594 36739.46084 26144.17976 35760.27529 13394518.05 13911412.62 13419450.93 13061088.86 9263842.786 8742449.628 30172891.09 15398787.6 16073030.3 16353221.79 12659293.4 9600536.221 13359062.05 11349695.47 13584759.56 11136547.87 12489427.66 15416778.34 27658728.19 14775574.75 12842300.94 12513152.08 13679881.55 15973663.15 12133372.74 13522660.5 15530685.65 13755845.27 15236529.97 26993860.87 13505667.92 14871267.91 12879317.93 13388043.26 15775407.17 15442994.28 13517884.52 14399393.89 14748397.58 12701811.23 14615361.21 27980076.47 14630912.73 11111434.28 16006462.9 15652802.94 13411443.36 15350291.93 13786929.19 12568411.71 15914775.25 15563197.77 29647978.32 15142492.18 15040845.72 15041601.99 12753976.16 16756389.14 14067349.11 15512226.16 12741929.51 13325367.78 17219746.43 14887415.33 29103765.17 15128014.65 13212301.65 12118550.16 14921954.98 14166896.82 13713287.2 27649660 14031628.19 14517042.59 106979.1369 67893.51021 72478.51254 77079.56658 14223947.64 13991123.96 17386109.11 13581485.75 9666875.427 9375121.015 15719653.67 DG(36:3) 144252.1275 18158226.72 39800.96899 89461.55885 119889.6396 352842.9117 14375542.72 15051320.23 11389444.39 11288992.56 8568541.863 8753198.544 49899687.75 18791142.54 19448573.2 18110983.32 22304528.55 11619421.7 14612270.79 12414459.1 16112548.71 10888784.92 15363965.31 15617756.51 45252244.16 18982519.49 13693080.86 8068960.045 14864387.2 18371742.27 16184058.1 8483132.353 17796390.62 17969903.04 12334911.81 45066814.04 17800026.1 18470777.27 11827847.13 16369933.78 18431514.93 23060190.41 21342164.07 14092426.26 23663439.09 15823588.97 15091817.14 45322372.55 18698371.15 19491040.39 13545492.57 16829642.9 15499993.54 23027008.88 17812994.45 16285968.07 13983252.25 18123686.85 47373514.33 18101892.21 18875693.42 13325799.61 15324398.53 17571369.02 22554490.24 19808309 17116551.39 13378443.18 17398798.47 18790568.09 45607293.93 19322792.95 13491514.28 11965574.34 18401209.09 24004217.31 17970369.47 42099954.91 16708330.97 17902403.97 465182.2261 485805.1463 659695.6409 640756.959 14588640.52 14412526.2 16559529.07 12115624.91 9824089 9791914.258 19015777.99 DG(36:2)DG(18:1_18:1_0:0) 34786.93987 2322237.279 26716.68152 28489.21501 24594.83002 27928.34169 1753018.66 1843522.767 1759280.953 1933480.778 1927947.671 1750833.608 15417309.94 2834326.532 3078596.41 2727042.427 3359837.033 1211945.315 1946001.391 1503237.483 1912245.374 1560903.406 2298117.609 3185176.06 14294575.13 2387588.442 2067622.657 1077501.916 1748631.761 2374971.654 2127419.526 1415571.701 2811341.173 2270271.251 2050256.466 15168986.88 2310032.524 2638594.075 1721483.704 1799485.475 2798305.273 3499220.23 3530493.394 2155380.833 4499281.995 1575920.259 3069917.767 15137012.28 2517118.918 3001668.74 1721970.601 2593896.062 2531316.621 3055864.221 3156766.964 2315246.377 2055865.492 2985398.115 16958813.81 2726384.174 2849769.624 1958278.859 1573388.982 2435791.09 4004481.317 3825760.077 2549373.416 2407016.927 3041640.277 2761648.817 17615885.97 2708009.199 1907697.58 1355393.892 2408585.193 3532890.429 2619259.354 16470855.22 2458884.755 2631176.796 25211.33291 20384.79632 25167.4492 26331.49966 2360387.905 2200854.107 2688572.15 1985126.685 2066273.043 1951650.163 2892825.412 SM(d32:1) 32817.27852 738607.7381 25299.83065 34560.13471 40651.06865 21279.59365 1120586.318 965155.0095 760918.0075 762572.8619 114355.3785 114352.9817 1624364.347 1298298.315 1126490.638 768503.9691 1274125.003 1408759.177 1479117.943 997040.7124 1082625.514 876205.4778 740227.0309 829721.6511 1430402.408 1161545.35 1429251.988 409834.9113 1100196.966 1233388.933 1413446.587 1354851.695 1031058.869 830195.4599 979677.7735 1529035.028 1309843.058 1190003.683 1153890.965 954307.6888 1067306.119 928366.2801 999193.7715 605584.2124 1386031.306 896341.8533 1416254.152 1736397.477 1087926.19 745429.9483 1133555.898 1284820.89 662729.1291 997702.7329 734741.7333 947864.3856 760698.3693 1086264.098 1673374.242 1088705.853 1090651.142 1523630.135 870356.7415 781143.3719 886265.5884 1280408.512 1133693.352 680170.5941 761324.508 843993.3935 1672585.159 1217659.501 1257092.685 974932.0249 931350.1074 713059.5597 939243.4989 1799178.439 1230049.592 1211789.555 68456.68922 21604.3397 54412.65184 nan 889142.4552 1109339.399 982447.7657 1251960.416 159102.6131 177383.5671 1071282.077 PC(28:0) nan 3120843.809 nan nan nan nan 2661135.497 2277750.014 2284956.25 2331851.511 1274741.588 1274791.618 2380749.394 3152242.312 2526047.519 2595083.953 2343831.859 2368708.522 2576962.569 1803254.924 1535842.442 2015899.122 1333858.806 1381808.278 2691249.972 3186045.564 2355788.952 1719397.943 1858992.49 1538902.605 1741290.672 1998242.174 3231338.665 1651982.07 1611420.692 2797389.707 2981377.45 2412882.085 1800838.296 1925368.306 2451010.545 3337613.43 1996896.243 2021264.431 2166208.268 1536506.69 2260071.447 2801688.795 3208066.371 2154371.702 2084448.664 2874571.105 1935749.483 1896682.863 2523257.3 1959190.047 1842844.458 3108073.927 2726658.997 3233893.729 2610550.193 2606791.793 2758680.796 2139032.709 3007280.15 3143165.867 2501309.77 1756395.187 2297960.577 2337119.567 2886868.599 3550317.943 2510388.618 2557770.186 2187980.439 2929280.287 2436377.199 3406306.405 3602989.34 2940481.001 33494.62707 13866.34601 nan nan 2326614.88 2527584.027 3428862.799 4638443.25 1934040.3 1504362.646 2389077.459 SM(d34:2) nan 4704686.325 7926.997408 nan nan nan 4460489.2 4312242.531 4245905.598 4195677.946 1818093.57 2069982.689 4589738.593 4924764.306 4383368.534 4122266.626 4479997.751 4690495.469 4635291.454 3611687.023 3001528.872 3641413.65 2402396.837 2674973.88 5392371.401 5291466.931 4433053.654 3242019.582 3482234.229 2813101.314 3364417.551 3644599.394 5365675.027 3179110.077 2946378.271 5592012.157 5208177.849 4478921.606 3377370.842 3750004.474 4330611.063 6351701.976 3356389.709 3588931.652 3984001.094 2906226.688 4266042.763 5659721.027 5270907.292 3694294.333 3872689.161 4160000.04 3187607.566 3076900.413 3900577.356 3380743.604 2982846.929 4843919.686 5287621.9 5298492.4 4183551.264 3976156.791 3972720.597 3170192.211 4093826.86 5248068.897 4057130.119 3022004.927 3551126.778 3796879.84 5094771.281 5424773.489 4004053.778 3987303.77 3507407.036 4639823.23 3527501.961 5823351.116 5488718.198 4949899.329 26986.70333 10262.02805 6209.995495 nan 5332646.063 5567880.703 7240554.149 7402691.133 3045958.811 2818251.908 5108480.534 PC(30:0) 7211.401562 381499.1148 5561.905531 9137.149541 8778.514987 7730.372911 207236.5854 213159.0069 218273.0979 213464.0191 969071.6198 1011393.482 500907.4747 396489.7163 392192.6156 252537.7259 285918.1197 326636.527 328368.3607 491063.3948 426351.2381 321719.0482 293962.1302 265559.1637 495743.8883 425148.6767 306883.5794 372952.7712 469875.8832 413574.0508 402854.7478 436400.3775 299105.4613 412056.8341 380400.2213 521780.7631 406704.4146 410458.3342 458809.0578 448075.2242 276970.7484 432684.1749 243684.6005 304819.0519 321740.0708 385876.3635 346016.4384 498487.735 394737.1475 329197.313 455010.4375 241866.3937 254222.6024 462368.8134 373574.5713 241250.5558 437742.0153 335997.2627 540458.8604 397254.8167 416451.753 451329.1583 488945.8835 435660.4348 297575.766 337587.0043 381860.0561 349620.779 303289.0796 277640.6642 499776.3866 402027.3953 409922.502 453730.8567 377236.5898 296727.2045 541298.8775 469840.9945 399330.437 386054.9918 8384.86244 8550.695535 8575.743292 7667.686796 214767.2498 230633.0713 263595.5374 240711.1841 972897.1608 945513.4672 401330.6622 SM(d35:1) 2085.467813 20126.7729 8427.073198 2317.272915 2638.482373 4019.375858 19415.0752 19624.07926 22139.0259 20933.3126 11612.14194 11827.4313 10992.78264 17414.38584 20011.33404 16133.14206 14577.34756 21329.32218 19024.94012 26270.86278 40041.69018 24802.32298 28922.38702 26202.64258 10853.89186 19824.44243 20423.3746 28407.04596 28290.04151 20282.3289 17006.03521 25422.45769 19502.52453 33616.55013 35765.09792 11422.11365 22716.06946 22482.40383 32825.7795 36479.14806 17974.46441 17430.80401 27023.37484 19400.26526 44022.01997 27429.4637 17763.14615 9731.870394 17914.22175 21386.35082 24127.03243 12243.48545 35414.38553 22740.8785 30959.41938 23695.48257 30700.73334 13840.58033 12711.8341 20769.84654 19754.71765 22640.04152 22066.39848 23917.15481 15278.85225 15656.73095 22060.42615 19434.74731 15102.98806 24640.82997 9678.208241 18441.49133 24708.45296 30810.20881 27269.77667 23660.31566 34337.08145 10652.8928 19329.47894 17225.59516 3083.88193 3141.414957 2119.160561 3568.675713 17164.03689 19051.25612 14260.60297 18937.78986 9855.883562 10423.40473 18822.35949 SM(d36:2) nan 624658.772 nan nan nan nan 326459.7259 356841.6111 402218.752 393619.3846 1476504.424 1652216.119 727861.1257 644201.7471 642872.2811 329533.4634 399509.9387 390966.649 462846.3503 805364.7923 664024.4624 387241.1093 560717.6199 628334.6172 762184.0961 634459.057 386440.5653 575733.2064 726713.0266 786042.8023 645109.2409 718266.5962 419926.4852 622287.0104 642335.4514 829599.0888 633940.947 654186.3412 504070.7539 589727.3145 353077.8527 501787.764 497860.7773 395680.7076 586359.5407 605979.4445 433379.9257 775353.9642 596703.7623 433914.6534 702725.0835 336546.8809 562172.0644 713799.3106 372196.4242 478257.105 638019.9434 413100.6888 861858.1496 569530.1007 560715.4491 804583.2396 797907.0113 698596.2611 374289.1004 380927.3425 437991.0447 691481.4029 455525.4497 382644.2902 846824.1931 580568.3397 624894.7141 715321.7023 577063.6021 333689.8856 827451.7385 753915.304 594009.9253 613074.5082 6426.844731 nan nan nan 309727.0838 339558.4267 367471.8441 367460.813 1567783.843 1547561.561 610589.1438 PC(32:2) nan 11101297.4 65486.31339 5396.415756 nan nan 9994455.941 9165352.181 9610577.139 9526304.678 3397595.402 3516412.015 12997100.56 11142041.81 11846498.6 9528037.665 9115325.507 10211087.38 9569524.91 8284558.752 10805654.57 10430787.69 9566231.142 11480876.8 12782846.85 11564318.98 10416787.98 7892532.637 8714696.484 10792215.09 11351956.29 10775843.11 10100739.87 10670248.36 10956471.02 13173747.74 12144151.21 12685293.26 12106260.01 8542732.04 10344817.99 12229739.76 13012814.35 8767407.922 13979409.82 8270316.535 8282086.157 12691395.48 11909089.05 12514044.71 9625289.539 7892303.369 17215824.7 8613777.025 10319554.16 11936790.84 9607649.49 10885336.08 11680402.35 11269421.98 11506786.25 12156929.89 8516203.322 9679736.131 8102070.738 11935952.45 11375998.07 11299161.18 8723381.226 14130220.49 11928419.86 11339878.77 8430290.326 9162189.513 8965503.166 13170126.59 9539285.888 12054761.91 11752742.55 10833325.58 12016.89101 10798.86823 5689.114638 6110.623995 10063514.8 10496246.34 11634181.53 9821509.154 4103001.106 3775791.451 11841654.72 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9495696.325 34984.77365 31528.15803 14009.34824 11281.31705 5448827.184 5423352.747 8954376.194 8070355.061 6350149.744 6203858.653 9792229.179 PC(32:0) 6277.138034 12401233.57 86403.01498 26679.16587 14740.16222 10275.76658 7946064.096 8130066.795 8350624.142 8191707.463 9370720.728 9375084.129 14777576.15 13432407.4 13538488.82 11371024.83 11448877.72 12102526.3 13892402.32 18443213.91 18353919.73 12050660.46 12134369 12216424.84 14290353.91 13805346.66 11961542.04 15981078.45 18889189.04 16952836.32 15375719.96 17744205.51 11845919.72 17111187.69 15816459.85 14540611.8 13705301.33 13845711.81 19991235.99 19450309.32 12304217.94 13018537.09 8684663.916 12433943.44 12630781.93 16590379.85 14687966.08 14306587.98 13503571.6 10059797.37 20635192.81 10916229.15 9272176.652 19235474.79 15147471.25 9210513.881 20710408.44 12026786.21 13699622.48 13405721.09 14343171.63 19748815.37 18119442.08 20594155.22 11690467.42 13476991.88 15451529.86 14237046.64 13639025.29 10545488.39 13700518.95 13778646.67 22692359.55 17624553.43 15800551.14 9883749.044 17289947.32 13623440.54 13203365.52 13114900.15 30022.51783 37602.17551 22084.67247 20470.0335 7761763.318 7899266.468 7875032.631 8028549.472 9230692.961 9486572.224 12763349.07 PC(33:2) nan 1488219.524 nan nan nan nan 1428792.032 1433646.624 1441876.319 1556106.335 1684539.337 1670410.228 1482318.695 1403252.793 1442805.074 1665015.472 1663249.09 1694383.684 1666974.933 1314321.85 1220062.225 1797418.362 1120896.009 1065564.045 1676445.664 1554177.642 1779472.978 1166870.457 1241891.883 1184509.905 947963.2395 1148865.754 1648053.573 1163334.608 1405704.775 1706829.96 1536888.787 1558549.949 1294642.904 1392009.127 1735371.293 2209404.632 1939917.425 1465632.392 2159563.279 1036229.584 1576662.022 1647132.963 1420059.135 1853981.769 1116219.211 1136410.817 2072845.4 1211327.328 1621360.016 1631645.602 1190488.483 1586740.125 1416420.245 1415833.811 1405504.074 964067.018 950343.1075 1159664.688 1519204.062 1616273.621 1787541.578 894060.7524 1226611.698 1938491.907 1456655.645 1436219.769 1355919.091 1101443.141 1180400.899 1884099.704 1074903.943 1517217.791 1410215.944 1391218.122 11529.01423 nan 11412.52007 nan 1505467.8 1545539.575 1179348.611 1588671.667 1739789.762 1753273.298 1462310.555 PC(34:4) 5694.543726 13816947.09 69064.93624 17002.14512 7445.550234 10162.82366 16241163.24 15410567.49 15531484.54 15384761.62 2893382.029 3183517.218 18883169.77 13992143.22 13844960.11 14018904.29 13109249.64 11747380.27 13089746.43 9453508.569 10808640.81 13770289.31 13681784.09 14601018.65 19144936.56 14581515.23 13428909.85 10712702.59 11142206.89 12554546.95 12629427.53 12289873.27 13580676.22 10003563.73 12517013.63 18851702.58 14076313.96 14331024.43 11925087.32 11391806.51 13105542.95 15694870.39 15261787.25 13616037.54 15669420.44 10370337.25 11996791.15 16990232.78 13203436.65 16385945.79 11867018.06 13635344.01 16045580.77 8281799.569 13158424.42 14806886.64 10540986.48 15337987.2 18578235.23 13777492.34 13555759.73 11896894.2 9342656.862 11058204.42 14687445.77 18279167.99 13342217.53 12850649.49 14593392.24 13448108.56 18703306.08 14162068.09 10130506.87 11586049.56 10791650.04 14273402.93 12431535.57 17894181.93 14213688.37 13733222.62 17105.27607 17253.73395 13433.13446 10471.66957 16316704.66 16754602.95 18919436.78 16480411.24 3596681.736 3147507.826 14410831.39 PC(34:3) 10108.83916 7968275.431 72672.37577 21755.95574 13180.34331 13427.28449 3241655.572 3420497.531 3321479.009 3386028.271 2243197.336 2219499.231 11201592.03 8030750.764 8080989.689 4675678.774 5786173.603 5147818.458 6077292.842 11797285.67 14517614.19 5066932.272 10554011.81 10993394.24 11130757.98 8030246.355 5174528.51 13416563.87 10587099.54 13533501.48 12534343.27 11965025.17 5396818.459 11896170.24 11467519.87 11334713.74 8131236.826 8254112.995 15102068.72 14157883.58 6083880.195 5966022.377 7543941.328 6203870.801 7738814.78 10741665.25 6926989.45 10874142.2 7737813.213 6341222.564 12810858.76 4849346.047 7766104.231 13847190.74 5141740.199 6559263.626 13737141.6 5145243.719 11518589.46 7989355.339 8055666.126 12253282.48 12168277.43 11085855.06 4958601.373 6056292.802 6505871.94 10086074.41 7058544.31 4922665.038 11194796.72 8062120.817 10774730.58 13425784.61 10535255.48 5172365.448 13444114.99 10526759.23 8060008.54 7681148.639 39110.70627 38490.41651 22011.02782 16149.33317 3361921.501 3262919.277 3040765.08 3267200.146 2134421.457 2106977.361 7571567.732 PC(34:2) 13767.29226 12422546.94 1999507.998 477457.8943 233710.3171 151636.6043 14972581.96 14652710.49 13751314.15 14302446.63 14859955.46 14930401.64 4670618.218 12194907.51 12302289.35 12251726.54 11064309.83 11712337.94 16201500.33 21215274.85 19231126.1 14832163.6 28569789.33 23008247.22 4681258.401 12243137.68 11638549.96 24621712.37 21155964.8 19670977.48 15746231.73 15950941.01 10111240.58 24024169.51 27019653.09 4595202.005 12586047.89 12896948.09 24052078.37 22894211.55 12915737.99 7953634.874 14964762.92 873638.9566 12830987.04 23115420.56 13651067.29 4457984.578 12048824.19 11613044.5 15798235.64 13514902.45 17648900.99 21980538.61 13617642.06 13975823.24 23226211.24 9958149.059 4278059.044 12287548.1 12069533.94 16280743.18 24211598.73 23947355.89 11383922.29 13866489.54 14426301.9 21990168.12 13457608.92 13000847.58 4204466.062 11734873.27 19477434.8 21369843.41 27563786.6 9048551.991 25014149.13 4134646.85 11954147.96 12061785.08 1268045.631 922235.9553 366965.7229 268848.3268 13204770.38 14374260.49 8217215.254 14630650.15 14552206.26 14813073.64 11534314.9 PC(34:1) 9118.935343 44465500.98 511643.3731 136430.2695 75736.78327 50589.28926 34829096.02 35546694.05 37978609.13 37717063.05 45866882.83 46984292.96 46335782.1 45693452.05 45204836.88 41539259.38 43760470.96 44044254.11 42202930.33 43538159.23 42504932.74 45679907.86 43459846.66 47190387.15 45705462.04 45319174.18 43780239.51 41142458.67 47931089.36 51053788.99 45490627.78 48480785.34 42681964.87 38956177.23 46687845.66 46461661.31 45186590.17 46545480.3 46714472.52 45449699.96 45097618.97 49380563.82 50921259.05 43668983.23 55497683.01 39662161.51 46401709.82 43842163.32 43801362.78 53076415.54 47736860.97 38952633.98 54270926.23 41743446.88 49391268.44 47836000.23 45241196.95 48474508.64 47933946.54 46015272.5 45618800.02 45745290.31 42242751.79 46312299.21 43310275.47 51138146.95 50217823.74 44962209.81 44963013.35 46018877.45 46161948.19 45702644.23 46517445.24 44944072.4 36076742.48 47341959.39 43583236.12 43476017.17 45107980.37 43852681.22 281553.8907 264375.0737 104629.0165 88992.75643 36027509.6 36122166.59 41450378.33 38252878.31 44084132.65 44845728.22 42131170.21 PC(35:3) 7474.603027 329580.4189 19631.14744 17246.80951 15148.32402 10020.2036 370900.4544 363184.1798 307247.048 309242.087 4328025.117 4468760.863 281865.2587 337182.282 338964.6333 297276.0581 353224.0686 542933.8567 287844.8708 322430.9271 603083.2983 411367.5215 245518.7927 302180.2305 283878.936 343781.7626 372089.659 299366.4097 330024.4558 488791.1335 435632.6336 309584.7589 316112.3075 366605.1165 335620.4257 287127.0905 338997.4893 331700.3187 340034.6019 333971.751 508894.2594 518415.491 370919.1519 308714.5954 512939.6968 320596.6609 344233.415 275187.5731 333103.8487 320629.0231 334365.6551 234559.5274 420986.366 432984.4795 324973.1782 401568.3357 379713.0257 305357.8542 278826.5683 326815.8649 322352.338 320341.1554 344213.9166 292725.4638 324787.4775 266886.583 425323.3006 218741.879 237709.7035 512976.5849 270531.8165 330460.6716 290814.858 344393.5622 344251.2931 630563.4493 388918.9173 267673.7912 332385.153 327396.0068 16167.56436 97731.89072 7697.493202 11574.24281 361950.0313 349895.6974 292049.3758 304549.3611 4065571.926 3992978.233 334556.9629 PC(35:2) nan 6236165.225 43039.47912 nan 127017.5574 nan 5858284.114 5936806.705 5853086.317 501218.4551 8198125.495 8378746.57 5396952.654 5891928.263 5919054.015 5793378.049 6450831.603 6989790.278 6735227.093 6258446.078 5179121.038 450949.8923 5538476.426 5368818.043 5228504.439 6386900.545 6819225.96 5263652.409 6168102.211 5340351.618 4449777.633 5859955.377 455707.7079 6562151.841 6976555.902 6207874.63 6468665.987 6595384.429 5859783.502 6209685.789 7380435.066 8295513.179 534960.4649 486979.3055 580279.526 5137593.993 5843367.663 5882548.922 6186027.842 6606800.539 5441070.092 343740.4453 7904776.974 5684631.147 6733806.151 5957797.492 5737204.224 516390.0306 5470279.804 6017523.832 6144057.459 4940791.957 5473437.607 6012417.876 5574114.555 7328376.603 6891262.456 5021678.528 5296295.904 7910641.606 4629965.138 6163742.203 6013562.059 5777637.37 6537437.089 8489276.617 5917666.562 5685438.717 6275153.825 6147935.439 12889.43463 9963.289741 nan nan 6543031.485 6596516.597 6433253.985 494791.6028 8773465.208 9056796.208 6044592.708 thyroxine nan 12337.52659 nan nan nan nan nan nan 7234.081065 10539.97171 nan nan 17840.0958 8913.93179 11067.72536 8812.213685 22486.5978 11929.55997 15753.67772 17074.86688 16651.09375 8765.557104 12717.08819 11333.76417 21985.76998 11657.46796 10602.57687 10309.34963 8098.218686 12234.32532 9268.739124 9605.937631 11827.78798 14503.3267 7898.724159 29192.18822 11165.07634 12388.1551 18791.91322 11324.64054 9931.20387 15555.64286 6856.190427 8558.872627 6221.608349 12102.9349 15181.60938 20702.94711 12501.06698 15403.34808 11657.57152 10925.75069 10919.31491 14900.98349 11647.70575 11048.36314 14739.34799 12039.32359 19830.28692 11304.21571 12877.64547 23803.15642 9118.49816 8129.042787 13261.31692 12846.94268 19365.62309 10722.74362 12906.91941 8272.639403 22395.67387 13089.36702 12779.35703 12792.46605 16381.49671 10954.08311 11678.25895 18732.35635 13288.41191 11514.55864 nan nan nan nan 14818.62322 12147.85328 11794.83676 10510.79836 nan nan 9377.496087 PC(36:4) 19997.23256 8341815.21 4068787.785 905388.3935 441551.1817 258348.1691 12380709.47 12087419.1 11714242.97 12317036.35 8834814.136 8914718.3 2704296.196 8191114.515 8376282.963 9813964.616 7997244.983 8576836.118 11874053.29 14852583.75 15103021.88 11765387.86 24306492.11 18004341.96 2670443.422 8292166.75 9103470.322 19197927.7 15121930.32 13442893.54 13147074.61 10863040.63 7189275.338 19684822.11 18718011.93 2614854.633 8473080.443 8678602.31 16717712.88 16736799.88 9291778.918 4965575.282 11094421.02 9782265.607 9076893.452 19687659.62 9927967.293 2490105.262 7976489.424 9028664.985 10213661.46 11431242.69 12649401.94 15874591.57 10438237.92 10495418.23 16847998.67 6841685.815 2381208.67 8246341.368 8053565.49 11572532.4 18020753.32 16033998.3 9632003.265 9705975.068 10374647.84 17777299.68 10380399.42 9066234.996 2352093.875 7836023.617 14100705.37 15167684.83 23089454.38 6144602.886 19791860.7 2267295.175 7995145.106 7874320.323 1350000.785 1209153.851 557435.6608 418243.1738 10094451.94 11326739.26 5642032.975 11940126.23 8374710.651 8613235.784 7444637.48 PC(36:3) 10349.54115 8635682.555 38462.26913 15794.87839 11446.28909 8945.132825 3921999.631 4210374.694 4845947.704 5087882.6 3043938.924 3010637.042 9423982.792 7988274.581 8009257.012 5072388.635 6203074.682 5979411.216 7037261.175 11120223.71 13470742.86 5873888.038 12449600.09 14471692.17 10917075.22 8900406.34 6071931.965 13207164.17 11765382.35 14771235.22 12875744.19 13993754.32 6525776.551 14221069.37 15256174.5 11087630.75 9115920.7 9204966.458 15451931.75 12991175.88 7092993.803 6283244.664 8364445.712 7061964.951 9503677.838 11063238.06 6866734.78 10842821.62 8588980.219 5967011.729 14162263.14 5816086.813 8526035.807 11233401.91 5208461.553 6817104.545 11851423.74 5839873.796 9726000.646 8248988.392 8519768.691 10931204.54 12145881.83 12506479.39 5173865.331 6999309.938 6307933.111 11646908.34 6682408.886 6264796.596 9489039.915 8526372.762 10926708.45 11736844.62 12466790.1 6614275.384 13521919.87 9966125.737 8687176.737 8539722.111 26496.46263 24217.20572 14952.56699 11885.62981 4611028.838 4524391.905 5125323.037 5251541.641 3203408.852 3350721.426 8300939.786 PC(36:2) nan 24918707.43 947812.5169 190126.055 95565.26102 58617.32588 24464349.24 23968996.38 26647422.38 27446744.32 25351725.9 24592795.11 12908482.75 25231315.75 24129038.6 23974269.71 21999361.82 22827555.27 30352954.7 25108010.39 21177328.73 27759938.45 39525175.54 39032324.4 12460054.96 25559001.71 23232801.61 29504489.22 29299720.1 32252445.93 23948876.01 27961227.68 24035223.91 26106529.55 41065222.78 12772751.52 26347554.13 26836816.58 29805893.87 27907327.43 29782481.38 20860044.4 29746565.53 26129568.45 29264305.37 27721164.86 22598638.84 12586901.45 26121231.23 25007955.27 28901046.63 23647966.29 36261027.76 23701852.35 28131529.37 28429435.33 27192815.02 26238727.21 12471622.8 25810989.22 26845839.93 27056366.99 29909413.72 38077214.49 22818670.74 33703338 25616553.19 35687771.63 26296587.77 33624507.67 12330768.25 25578164.43 28773823.94 26829685.42 33972101.02 22775491.75 29794912.15 12404172.89 25991789.59 26098936.96 358072.9517 284220.8419 131622.3653 92881.12216 24685206.22 28358650.31 26468594.24 28554253.56 25481841.41 26339988.15 25640784.25 SM(d40:1) nan 5248939.244 9771.540003 7966.924289 nan nan 2098287.341 1753680.945 2590213.4 2718811.779 490004.7768 300350.7204 4583333.615 3900773.274 4294147.63 2902917.195 2781483.739 4851148.424 5821713.47 5099264.269 2829769.493 6812598.435 2941723.533 2752808.326 5116210.247 5019063.818 5909857.533 2900276.929 5586653.712 4551054.578 2993214.844 8297727.848 6001230.375 2166679.695 4868060.395 5156075.904 5077481.317 4998360.66 5179008.877 4163527.578 5464663.699 7836979.415 2354891.937 7513666.847 5563546.903 3387610.009 5780471.397 5251468.886 5044487.227 2572830.919 6874572.828 2338891.801 2863410.289 1891632.723 8335549.287 2515465.239 4305965.481 6353561.988 4663989.977 4916661.797 5185213.555 6169703.363 3517636.971 6624497.023 3426155.465 5541864.776 5632209.027 3536093.316 5186063.665 4887845.787 5486365.811 5313372.237 6117713.869 4321587.008 3300169.354 4122740.366 3161029.644 5616196.565 5269888.032 5452867.035 nan nan nan nan 1941584.717 2008804.709 3736119.73 2763202.539 506333.2786 741802.4456 5420527.841 PC(38:6) 7229.618786 26463355.95 1423538.491 382606.6946 205066.6804 124488.6885 33477826.78 32623571.22 29931999.93 30480327.54 20827819.68 20700550.55 11749327.95 26909396.19 26961103.2 27409220.48 24436828.29 26843009.99 34922909.96 32637642.01 28624129.23 33795238.69 45719187.04 38436836.86 11501498.25 27006380.63 28208968.3 38221386.7 36180318.63 32995074.38 28674876.97 30390990.96 25522860.65 35717898.76 44883747.38 11403990.2 27527590.81 28552781.19 35950935.87 35558161.64 30419140.85 22968516.66 29533784.81 28861974.74 26689951.76 36893874.99 29119448.69 11284617.1 26992964.89 27948036.44 30970085.51 31329518.26 33660668.42 32194134.22 33152541.46 30267920.17 37046527.96 26046087.11 10888064.44 27487728.38 27382596.19 30172888.95 36905923.27 42379820.52 27402150.07 33756162.85 31631356.08 39439585.26 29067827.6 31748191.78 10715519.9 26335382.57 35748577.72 34920320.21 43433313.41 23894245.33 38551558.9 10769113 27044658.48 26839621.92 516343.2917 552558.694 251503.7547 177438.4548 31302336.44 32765577.83 24082739.03 32249858.54 20325504.38 20890354.56 26207388.27 SM(d42:2) nan 9334973.808 22541.38002 nan nan nan 3187068.646 3049757.982 4906623.032 5254897.298 4809905.488 4240830.577 16799504.41 9748991.726 10112555.21 7310486.68 6840569.573 8444267.558 9983014.694 11480430.84 7152053.891 10903270.12 7085914.152 7492377.752 19137719.54 11005000.75 9770047.081 7133680.785 9712533.134 10163134.39 8886449.751 13902388.33 9678868.448 5293659.268 9383259.299 16892815.75 10204553.47 10336492.66 10037854.62 9852069.344 9045173.581 12671093.14 5828583.969 10540370.96 10340665.68 9282406.931 11674219.7 17749060.37 11080612.92 7920736.252 13346053.48 6504121.685 6917207.884 6378402.046 12781473.12 6339437.68 10769289.1 11340573.46 17398565.21 10668948.29 10615567.69 1237760.019 7990031.855 11762403.63 7672597.326 9977955.513 9993288.712 9226345.888 9175535.848 8639684.872 17998865.02 11159929.11 11809716.27 10477982.17 7054151.717 9009271.614 8785436.665 17885563.61 10761997 10472751.2 18244.84614 5962.185338 4956.686849 nan 4004402.391 3972012.504 8808405.296 5811034.679 4869672.953 5702518.193 10334764.17 SM(d42:1) 18820.90262 6459540.016 30400.58202 19328.01028 20519.22049 22442.23556 1855842.67 1981928.091 2650944.052 2668079.437 1085068.161 933222.9576 9679696.42 6984385.826 6977409.459 4164463.08 3981184.228 7787401.428 8638517.367 8594059.665 2763210.593 8501987.05 3179416.407 4010558.676 10049311.94 7093493.668 8229100.844 3257840.361 6381298.913 4889802.221 3180468.402 11036247.9 6257477.855 1790670.023 5375171.247 8584623.155 5853832.439 5950730.608 7343784.971 4020683.848 5849369.772 9772246.472 1930232.346 8171581.169 5202127.896 3879443.821 7772605.501 9541779.443 6251869.829 2591506.361 9505486.037 2926816.051 3213174.007 1785912.302 11085167.88 2728582.325 4863911.324 7137252.378 10101399.25 6696477.341 7123646.929 7180179.618 3445956.411 9004900.252 3495057.372 6828902.263 7228550.612 3974203.294 7030893.504 6051555.108 9797515.468 6641509.058 6951020.509 4293927.275 2911931.752 4425040.651 3345831.77 9342603.312 6415257.896 7003408.403 18337.68415 21905.44889 15651.32154 11979.11707 1645937.544 1388074.822 3820393.132 1959000.37 807073.2755 939249.6002 6799363.182 PC(40:8) 7221.179558 1088093.619 267407.6111 98984.81693 51940.54519 37325.18065 1018239.686 1018561.276 890972.2627 880071.8497 20775629.45 22019807.01 802794.6024 1133469.067 1116215.275 1180632.339 1235319.828 1769824.636 1099441.057 2349431.867 4682562.752 1366464.383 1559403.109 1332847.895 766351.3442 1059278.983 977346.2117 2403176.041 1881537.266 2083266.139 2543268.826 1205839.648 825969.1097 4076216.937 1729029.983 722921.3722 1063186.689 1079070.444 2624388.181 2996875.197 1340679.899 1071280.298 1204606.704 1154886.58 1259576.388 3228566.347 1699112.93 739544.1936 1082336.799 1033647.092 1596588.689 1100921.434 1123328.585 4699646.564 955645.1038 1292144.278 3311559.787 763577.657 772221.2694 1130460.424 1111206.899 2107861.789 3049017.305 1429174.82 1429193.94 953654.1455 1928275.413 1460194.85 1264728.108 1032779.777 830632.8353 1154355.522 1794032.011 3124325.605 4152911.544 1290042.356 4453301.745 789493.0865 1168792.247 1184381.112 171577.6217 189475.1972 86212.32453 52062.88584 970497.7124 1023367.244 461919.6632 950942.1729 23085923.06 23127436.36 1094325.643 PC(40:6) nan 35280345.23 802315.8118 246462.4075 346616.467 65342.30973 36166307.73 35575345.77 32707505.45 33765849.93 20461672.36 19757301.68 16098972.52 35880312.53 35836230.32 33481136.97 30749380.93 33454129.72 43705851.69 39631028.74 33108597.62 38079055.12 53056767.17 48160276.53 15842133.92 36248765.73 33440386.56 43903907.68 43925182.82 41434404.17 36492286.58 38569045.6 35164406.28 41265373 54476416.45 15844751.84 37475631.67 38212788.92 43206498.13 42391392.5 39913091.8 30961043.24 32361331.69 35353637.1 32624489.65 44385051.47 36425717.39 15423444.36 36827307.31 34221160.21 40433017.65 40169735.87 36409695.37 38711778.98 39413822.79 35036779.47 43446248.28 38227011.21 14915063.08 37978796.74 37679887.91 38827415.67 41930662.44 54115648.42 33110577.94 47608149.2 39994737.91 50615872.53 38533033.98 41258609.21 14680918.69 36231304.45 44711637.5 42052025.45 52627490.84 29246227.37 45042689.58 14263704.98 37045646.86 37037524.85 275486.2019 306059.7808 143499.6926 117144.1318 36925479.31 37979898.16 35781212.69 36403048.16 20342076.9 21290662.96 36228109.24 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt dimethylglycine C4 H9 N O2 104.072676 103.0654 Dimethylglycine 0.84 aminobutyrate C4 H9 N O2 104.073276 103.066 Aminobutyric acid 0.71 choline C5 H13 N O 104.107576 103.1003 Choline 0.62 uracil C4 H4 N2 O2 113.034276 112.027 Uracil 1.89 2-acetylpyrrolidine C6 H11 N O 114.091376 113.0841 2-Acetylpyrrolidine 4.17 proline C5 H9 N O2 116.075076 115.0678 Proline 0.71 trans-cyclohexane-1,2-diol C6 H12 O2 117.091176 116.0839 trans-Cyclohexane-1,2-diol 3.78 valine C5 H11 N O2 118.086876 117.0796 Valine 0.78 niacinamide C6 H6 N2 O 123.055976 122.0487 Niacinamide 1.38 pyroglutamate C5 H7 N O3 130.049576 129.0423 Pyroglutamic acid 1.22 creatine C4 H9 N3 O2 132.081876 131.0746 Creatine 0.69 Isoleucine C6 H13 N O2 132.101876 131.0946 Isoleucine 1.85 leucine C6 H13 N O2 132.102076 131.0948 Leucine 1.97 hypoxanthine C5 H4 N4 O 137.046376 136.0391 Hypoxanthine 1.29 spermidine C7 H19 N3 146.165176 145.1579 Spermidine 0.5 adipate C6 H10 O4 147.058676 146.0514 Adipic acid 3.63 glutamine C5 H10 N2 O3 147.076576 146.0693 Glutamine 0.62 lysine C6 H14 N2 O2 147.112776 146.1055 Lysine 0.52 methionine C5 H11 N O2 S 150.056176 149.0489 Methionine 1.15 guanine C5 H5 N5 O 152.057076 151.0498 Guanine 0.97 FA(8:0, 2-NH2) C8 H17 N O2 160.135276 159.128 2-Aminooctanoic acid 5.14 S-allylcysteine C6 H11 N O2 S 162.058676 161.0514 S-Allylcysteine 2.43 phenylalanine C9 H11 N O2 166.086476 165.0792 Phenylalanine 2.79 urate C5 H4 N4 O3 169.035676 168.0284 Uric acid 1.28 pyridoxamine C8 H12 N2 O2 169.094576 168.0873 Pyridoxamine 0.54 N-acetylleucine C8 H15 N O3 174.114776 173.1075 N-Acetylleucine 5.35 suberate C8 H14 O4 175.096076 174.0888 Suberic acid 5.85 indoleacetate C10 H9 N O2 176.070376 175.0631 Indoleacetic acid 5.95 serotonin C10 H12 N2 O 177.101776 176.0945 Serotonin 2.38 hippurate C9 H9 N O3 180.065376 179.0581 Hippuric acid 4.36 glucose C6 H12 O6 181.073076 180.0658 Glucose 0.67 1-methylurate C6 H6 N4 O3 183.050276 182.043 1-Methyluric acid 2.73 azelaate C9 H16 O4 189.111876 188.1046 Azelaic acid 6.71 N-acetyllysine C8 H16 N2 O3 189.123576 188.1163 N(2)-Acetyllysine 2.67 3-indolepropionate C11 H11 N O2 190.085776 189.0785 3-Indolepropionic acid 6.69 citrate C6 H8 O7 193.032876 192.0256 Citric acid 1.22 3-hydroxyphenyl-valerate C11 H14 O3 195.102976 194.0957 3-Hydroxyphenyl valeric acid 9.2 Ala-Leu C9 H18 N2 O3 203.139776 202.1325 Ala-Leu 2.54 spermine C10 H26 N4 203.222876 202.2156 Spermine 0.5 Car(2:0) C9 H17 N O4 204.123676 203.1164 CAR(2:0) 1.1 tryptophan C11 H12 N2 O2 205.097376 204.0901 Tryptophan 3.63 kynurenine C10 H12 N2 O3 209.091276 208.084 Kynurenine 2.78 FA(12:0-NH2) C12 H25 N O2 216.195476 215.1882 Aminododecanoic acid 8.05 Car(3:0) C10 H19 N O4 218.139276 217.132 CAR(3:0) 2.22 N-acetylserotonin C12 H14 N2 O2 219.113876 218.1066 N-Acetylserotonin 4.66 Ser-Leu C9 H18 N2 O4 219.130176 218.1229 Ser-Leu 3 pantothenate C9 H17 N O5 220.118276 219.111 Pantothenic acid 3.44 5-hydroxy-L-tryptophan C11 H12 N2 O3 221.092476 220.0852 5-Hydroxy-tryptophan 2.31 diethylphthalate C12 H14 O4 223.096876 222.0896 Diethyl phthalate 8.27 Leu-Pro C11 H20 N2 O3 229.154376 228.1471 Leu-Pro 2.12 Ile-Pro C11 H20 N2 O3 229.154376 228.1471 Ile-Pro 2.12 Ile-Val C11 H22 N2 O3 231.170176 230.1629 Ile-Val 3.5 Car(3:0, 2-CH3) C11 H21 N O4 232.154876 231.1476 CAR(4:0)_rp_a 3.06 Car(4:0) C11 H21 N O4 232.154976 231.1477 CAR(4:0)_rp_b 3.14 cytidine C9 H13 N3 O5 244.092176 243.0849 Cytidine 1.01 Car(5:1) C12 H21 N O4 244.154176 243.1469 CAR(5:1) 3.8 N-undecanoylglycine C13 H25 N O3 244.190476 243.1832 N-Undecanoylglycine 8.45 Ile-Ile C12 H24 N2 O3 245.185276 244.178 Ile-Ile 4.36 Leu-Ile C12 H24 N2 O3 245.188476 244.1812 Leu-Ile 4.72 Car(4:0,3-CH3) C12 H23 N O4 246.170176 245.1629 CAR(5:0)_rp_a 3.91 Car(5:0) isomers C12 H23 N O4 246.170276 245.163 CAR(5:0) 3.98 Car(5:0) C12 H23 N O4 246.170276 245.163 CAR(5:0)_rp_b 3.98 Car(4:0-OH) C11 H21 N O5 248.146476 247.1392 CAR(4:0(OH)) 1.86 sn-glycero-3-phosphocholine C8 H20 N O6 P 258.110876 257.1036 sn-Glycero-3-phosphocholine 0.63 N-lauroylglycine C14 H27 N O3 258.208176 257.2009 N-Lauroylglycine 9.23 Car(6:0) C13 H25 N O4 260.185976 259.1787 CAR(6:0) 5.04 gamma-glutamylisoleucine C11 H20 N2 O5 261.141676 260.1344 gamma-Glutamylisoleucine 4.03 gamma-glutamylleucine C11 H20 N2 O5 261.144076 260.1368 gamma-Glutamylleucine 4.19 Car(5:0-OH) C12 H23 N O5 262.165176 261.1579 CAR(5:0(OH)) 2.56 Pro-Phe C14 H18 N2 O3 263.140976 262.1337 Pro-Phe 4.59 deoxyguanosine C10 H13 N5 O4 268.104476 267.0972 Deoxyguanosine 2.44 inosine C10 H12 N4 O5 269.088476 268.0812 Inosine 2.48 sphinganine (C16) C16 H35 N O2 274.274476 273.2672 C16 Sphinganine 8.51 N-gammaglutamylmethionine C10 H18 N2 O5 S 279.096776 278.0895 gamma-Glutamylmethionine 2.76 monoethylhexyl phthalate C16 H22 O4 279.159176 278.1519 Monoethylhexyl phthalic acid 10.28 FA(18:2) C18 H32 O2 281.242076 280.2348 Octadecadienoic acid 11.51 oleamide C18 H35 N O 282.278476 281.2712 Oleamide 11.39 FA(18:1) C18 H34 O2 283.263176 282.2559 Oleic acid 11.62 Car(8:1) C15 H27 N O4 286.200976 285.1937 CAR(8:1) 5.96 Car(8:0) C15 H29 N O4 288.216976 287.2097 CAR(8:0) 6.76 Glu-Phe C14 H18 N2 O5 295.128476 294.1212 Glu-Phe 4.38 5'-methylthioadenosine C11 H15 N5 O3 S 298.096976 297.0897 5'-Methylthioadenosine 3.97 sphingosine (C18) C18 H37 N O2 300.289676 299.2824 Sphingosine 9.78 Car(9:0) C16 H31 N O4 302.232376 301.2251 CAR(9:0) 7.14 sphinganine (C18) C18 H39 N O2 302.305076 301.2978 Sphinganine 9.76 MG(14:0_0:0_0:0) C17 H34 O4 303.251176 302.2439 MG(14:0) 10.99 Car(8:0-OH) C15 H29 N O5 304.211476 303.2042 CAR(8:0(OH)) 5.64 gamma-glutamyltyrosine C14 H18 N2 O6 311.125476 310.1182 gamma-Glutamyltyrosine 3.16 N2,N2-dimethylguanosine C12 H17 N5 O5 312.142176 311.1349 N2,N2-Dimethylguanosine 3.52 benzylbutylphthalate C19 H20 O4 313.148276 312.141 Benzyl butyl phthalate 10.24 Phe-Phe C18 H20 N2 O3 313.155876 312.1486 Phe-Phe 5.53 Car(10:1) C17 H31 N O4 314.232076 313.2248 CAR(10:1) 7.52 Car(10:0) C17 H33 N O4 316.248376 315.2411 CAR(10:0) 7.98 Car(11:0) C18 H35 N O4 330.263076 329.2558 CAR(11:0) 8.34 MG(16:0_0:0_0:0) C19 H38 O4 331.284976 330.2777 MG(16:0) 11.38 Car(10:0-OH) C17 H33 N O5 332.242676 331.2354 CAR(10:0(OH)) 7.2 Car(12:1) C19 H35 N O4 342.263676 341.2564 CAR(12:1) 8.46 Car(12:0) C19 H37 N O4 344.279676 343.2724 CAR(12:0) 8.85 Phe-Trp C20 H21 N3 O3 352.160176 351.1529 Phe-Trp 5.62 MG(18:1_0:0_0:0) C21 H40 O4 357.300476 356.2932 MG(18:1) 11.48 cortisol C21 H30 O5 363.216276 362.209 Cortisol 7.68 GMP C10 H14 N5 O8 P 364.065176 363.0579 GMP 1.28 Car(14:2) C21 H37 N O4 368.279576 367.2723 CAR(14:2) 8.82 cholesterol C27 H44 369.351976 368.3447 Cholesterol 13.5 Car(14:1) C21 H39 N O4 370.297376 369.2901 CAR(14:1) 9.18 Car(14:0) C21 H41 N O4 372.311376 371.3041 CAR(14:0) 9.48 sphingosine-1P (C18) C18 H38 N O5 P 380.255776 379.2485 Sphingosine 1-phosphate 10.67 bis(2-ethylhexyl)phthalate C24 H38 O4 391.284676 390.2774 bis(2-Ethylhexyl)phthalic acid 11.9 deoxycholate C24 H40 O4 393.300276 392.293 Deoxycholic acid 10.62 Car(16:3) C23 H39 N O4 394.295676 393.2884 CAR(16:3) 9.38 Car(16:2) C23 H41 N O4 396.311376 395.3041 CAR(16:2) 9.37 Car(16:1) C23 H43 N O4 398.327176 397.3199 CAR(16:1) 9.67 Car(16:0) C23 H45 N O4 400.342876 399.3356 CAR(16:0) 9.96 Car(18:2) C25 H45 N O4 424.344076 423.3368 CAR(18:2) 9.62 Car(18:1) C25 H47 N O4 426.358476 425.3512 CAR(18:1) 10.08 Car(18:0) C25 H49 N O4 428.374276 427.367 CAR(18:0) 10.33 alpha-tocopherol C29 H50 O2 431.388076 430.3808 alpha-Tocopherol 13.39 glycochenodeoxycholate C26 H43 N O5 450.322676 449.3154 Glycochenodeoxycholic acid 10.2 Car(20:0) C27 H53 N O4 456.405076 455.3978 CAR(20:0) 10.63 glycocholate C26 H43 N O6 466.317176 465.3099 Glycocholic acid 9.57 PC(14:0)PC(14:0_0:0) C22 H46 N O7 P 468.308676 467.3014 LPC(14:0) 10.56 PE(18:2)PE(18:2_0:0) C23 H44 N O7 P 478.293176 477.2859 LPE(18:2) 10.83 PC(15:0)PC(15:0_0:0) C23 H48 N O7 P 482.323676 481.3164 LPC(15:0) 10.84 PE(18:0)PE(18:0_0:0) C23 H48 N O7 P 482.324176 481.3169 LPE(18:0) 11.44 PC(16:1)PC(16:1_0:0) C24 H48 N O7 P 494.324476 493.3172 LPC(16:1) 10.73 PC(16:0)PC(16:0_0:0) C24 H50 N O7 P 496.340776 495.3335 LPC(16:0) 11.05 PC(17:0)PC(17:0_0:0) C25 H52 N O7 P 510.356076 509.3488 LPC(17:0) 11.25 PC(18:2)PC(18:2_0:0) C26 H50 N O7 P 520.340776 519.3335 LPC(18:2) 10.91 PC(18:1)PC(18:1_0:0) C26 H52 N O7 P 522.356476 521.3492 LPC(18:1) 11.16 PC(20:4)PC(20:4_0:0) C28 H50 N O7 P 544.340776 543.3335 LPC(20:4) 10.91 PC(20:3)PC(20:3_0:0) C28 H52 N O7 P 546.354076 545.3468 LPC(20:3) 11.45 PC(20:0)PC(20:0_0:0) C28 H58 N O7 P 552.402476 551.3952 LPC(20:0) 11.74 DG(32:1) C35 H66 O5 567.498176 566.4909 DG(32:1) 14.32 DG(32:0) C35 H68 O5 569.513776 568.5065 DG(32:0) 15.12 bilirubin C33 H36 N4 O6 585.270076 584.2628 Bilirubin 7.93 mesobilirubinogen C33 H44 N4 O6 593.331876 592.3246 Mesobilirubinogen 7.03 DG(34:2) C37 H68 O5 593.515476 592.5082 DG(34:2) 14.63 urobilin C33 H46 N4 O6 595.348276 594.341 L-Urobilin 7.11 DG(34:1) C37 H70 O5 595.530776 594.5235 DG(34:1) 15.37 DG(36:3) C39 H70 O5 619.530876 618.5236 DG(36:3) 14.84 DG(36:2)DG(18:1_18:1_0:0) C39 H72 O5 621.545676 620.5384 DG(18:1_18:1) 15.61 SM(d32:1) C37 H75 N2 O6 P 675.542776 674.5355 SM(d32:1) 12.43 PC(28:0) C36 H72 N O8 P 678.504276 677.497 PC(28:0) 12.53 SM(d34:2) C39 H77 N2 O6 P 701.560076 700.5528 SM(d34:2) 12.53 PC(30:0) C38 H76 N O8 P 706.537276 705.53 PC(30:0) 12.99 SM(d35:1) C40 H81 N2 O6 P 717.589876 716.5826 SM(d35:1) 13.11 SM(d36:2) C41 H81 N2 O6 P 729.590176 728.5829 SM(d36:2) 13 PC(32:2) C40 H76 N O8 P 730.539676 729.5324 PC(32:2) 12.71 SM(d36:1) C41 H83 N2 O6 P 731.606976 730.5997 SM(d36:1) 13.4 PC(32:1) C40 H78 N O8 P 732.555476 731.5482 PC(32:1) 13.03 PC(32:0) C40 H80 N O8 P 734.571076 733.5638 PC(32:0) 13.49 PC(33:2) C41 H78 N O8 P 744.553976 743.5467 PC(33:2) 12.95 PC(34:4) C42 H76 N O8 P 754.539676 753.5324 PC(34:4) 12.68 PC(34:3) C42 H78 N O8 P 756.555176 755.5479 PC(34:3) 12.95 PC(34:2) C42 H80 N O8 P 758.571176 757.5639 PC(34:2) 13.22 PC(34:1) C42 H82 N O8 P 760.586776 759.5795 PC(34:1) 13.61 PC(35:3) C43 H80 N O8 P 770.565476 769.5582 PC(35:3) 13.04 PC(35:2) C43 H82 N O8 P 772.586776 771.5795 PC(35:2) 13.51 thyroxine C15 H11 I4 N O4 777.691776 776.6845 Thyroxine 8.49 PC(36:4) C44 H80 N O8 P 782.570976 781.5637 PC(36:4) 13.12 PC(36:3) C44 H82 N O8 P 784.586376 783.5791 PC(36:3) 13.52 PC(36:2) C44 H84 N O8 P 786.602376 785.5951 PC(36:2) 13.87 SM(d40:1) C45 H91 N2 O6 P 787.669176 786.6619 SM(d40:1) 15.09 PC(38:6) C46 H80 N O8 P 806.571076 805.5638 PC(38:6) 13.07 SM(d42:2) C47 H93 N2 O6 P 813.685376 812.6781 SM(d42:2) 15.21 SM(d42:1) C47 H95 N2 O6 P 815.700676 814.6934 SM(d42:1) 16.39 PC(40:8) C48 H80 N O8 P 830.567476 829.5602 PC(40:8) 13.27 PC(40:6) C48 H84 N O8 P 834.602576 833.5953 PC(40:6) 13.7 METABOLITES_END #END