#METABOLOMICS WORKBENCH efahy_20230425_000104 DATATRACK_ID:4002 STUDY_ID:ST002687 ANALYSIS_ID:AN004360 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 Brown ST:STUDY_TITLE Adipose Powder - 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=20191113-EX00979-A003-IN0028-CS00000MP-01-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-02 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191113-EX00979-A003-IN0028-CS00000MP-02-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-03 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- 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#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 ST002687_AN004360_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 CS00000MP-01 CS00000SB-02 CS00000SB-03 CS00000PB-01 CS00000PB-02 CSMR80012-01 CSMR80012-02 CSMR80013-01 CSMR80013-02 CS0UMRA01-01 CS0UMRA01-02 CS0000OP0-01 CS00000MP-02 CS000QCMP-01 90585016906 90252016906 90229016906 90280016906 90449016906 90420016906 90422016906 90439016906 90571016906 CS0000OP0-02 CS00000MP-03 90217016906 90444016906 90423016906 90283016906 90581016906 90265016906 90232016906 90251016906 90254016906 CS0000OP0-03 CS00000MP-04 CS000QCMP-02 90289016906 90412016906 90281016906 90567016906 90406016906 90564016906 90421016906 90225016906 90578016906 CS0000OP0-04 CS00000MP-05 90430016906 90222016906 90576016906 90587016906 90450016906 90237016906 90560016906 90410016906 90266016906 CS0000OP0-05 CS00000MP-06 CS000QCMP-03 90239016906 90426016906 90559016906 90292016906 90441016906 90416016906 90227016906 90248016906 90258016906 CS0000OP0-06 CS00000MP-07 90267016906 CS0000OP0-07 CS000QCMP-04 CS00000MP-08 CS00000PB-03 CS00000PB-04 CS00000SB-04 CS00000SB-05 CSMR80012-03 CSMR80012-04 CSMR80013-03 CSMR80013-04 CS0UMRA01-03 CS0UMRA01-04 CS00000MP-09 2-piperidinone 8387.36804609714 nan nan nan nan 7231.44620787065 8248.74569779784 8282.08489275064 11616.5493146672 5503.74826474 4035.34428830896 19289.4062473069 8301.24419517522 10270.5330255001 12355.4036888605 14623.4815044193 9081.62936956266 8685.45512492832 5277.1233893895 11721.9139105965 16405.168907505 13450.2505867608 8430.96558485219 20889.7271035543 12227.5967129815 9672.97663466732 6809.9826681918 15987.1955926835 10650.1984128401 14467.6324947896 17764.6008285628 10981.9822726543 11270.944491915 18955.3459233174 29270.2081600776 7800.09597509061 12289.7885583154 9899.6637930497 9908.03169923124 9548.7888993834 9458.92900969878 10348.4712580508 12186.4958074052 11122.6431147273 6274.04856057133 10260.5140121647 26827.5726296329 9554.90190973433 8953.03930201557 8705.74058130303 12488.7168453169 14150.5762873404 9104.96905173485 9770.93154609019 11093.1759355903 10197.4907503477 9172.22345421182 20330.6255202137 10216.4582672781 8823.28769234381 11223.8479928466 8529.32149938263 9908.99828715078 8493.13631003397 9163.81898736693 9278.0024592505 6311.69029467821 15754.6336934877 9766.40767909191 20067.4165075562 10148.8385715645 6299.58215663704 21319.0632889276 12481.7046063701 11850.4445873441 nan nan nan nan 4131.86585727388 4795.0626950905 6163.27112773946 8306.36481734053 5619.96524746032 4850.89705856657 9761.07438370515 choline 4957914.15689524 5596.499531 6194.130124 6812.043815 8930.65028 668045.08201964 663722.070347686 1242861.50325388 1253509.09511935 1215223.19002239 1229662.75861423 3792623.10025056 4726095.16805513 4183685.67964572 5724141.98493311 8030744.60014383 5654870.06847596 5389418.11961957 5529018.72845103 4477311.74818675 7184030.5315977 8189572.54789825 4929802.83381695 3752401.71090157 4974515.20827514 9275626.46027096 4834160.2321628 3192451.70695917 3276312.49480137 6372414.58185206 5708160.12377868 6135599.17758466 5487411.32291659 6023882.19031662 3776929.24602295 4807532.0561785 4759493.64262001 5578386.02414011 5035121.35317126 5212461.6924232 5069262.90977492 5827149.30003069 6172120.25925814 6107044.22550032 5451251.6439416 5268671.37507271 3729484.70716665 4870719.49602911 3119061.17097473 7814930.9844229 6259053.397557 5622004.38779078 4571473.56468727 4830234.424937 4590315.91771954 7704471.09967317 3994013.16631147 3664997.3927447 4938249.03343667 4934558.74267626 5576048.64336874 3072836.86327789 5329270.87339951 6797712.30645448 2603415.23620928 5139142.32340876 5469463.92497604 7863315.06898206 4679019.7962212 3821954.71991423 4957284.50819059 4175011.64874257 3842842.23371238 4946036.94848245 4920240.90985746 34695.02255 31037.59436 29934.95219 33809.33451 637994.960251234 634665.76217853 1169752.18894314 1184857.39837527 1148714.17568833 1137235.62561468 5007833.16003332 uracil 250594.266102652 nan nan nan nan 236569.274705962 246047.833839836 535128.47599156 529847.039440527 327229.78894705 308180.14780133 380105.128232803 253452.878593549 243741.624303187 189407.660783161 194406.738445478 277786.422855099 244290.842528752 180874.676354484 266019.790804204 309524.212224003 138424.604163815 204270.58470342 382628.011140359 248701.397852019 241267.106139695 130637.743339663 170180.601821559 241658.416065559 154730.118391848 309837.151586761 260327.109815746 244156.645318375 405817.779808078 379827.270563111 231917.916469694 242159.948454705 191868.592298464 382721.307039526 225062.745776304 180122.690499343 294434.540268123 197234.259068088 274307.407154969 252887.110790985 173273.818341875 384993.802243033 252506.842645927 166657.807742696 623182.596401451 183948.09978502 189329.833854529 235870.819465553 335201.974442616 158375.437078698 495919.787428081 564607.09903608 389738.177369634 252004.810977252 251628.644898782 241481.991501566 292849.786338084 166897.432268738 376574.179134106 368050.848527283 304579.764804943 278926.206958295 200106.35885121 207573.297220633 429503.554937504 261913.086189415 148239.315167812 403242.155767632 254304.931701481 258074.761488236 nan nan nan nan 255416.085698146 263706.838246505 559516.233967201 571885.45749377 340332.570759634 335707.45399249 259035.978996922 proline 648760.491802121 nan nan nan nan 140008.644727741 138739.069012492 179728.165705126 179595.645121858 252933.303146372 257152.854423455 508355.066011914 652024.639540887 559003.061336375 772585.909792375 691489.233742732 483312.751181514 484314.83096872 679857.262888935 684675.225894811 597267.768684045 702197.765417396 696247.726676176 477177.683092987 557556.715984126 537055.994756741 416717.520312678 487373.332902745 423890.364400313 718503.423410302 1054297.3523913 413505.388613025 599671.221701398 732274.392158497 449536.769681101 530431.769621855 514011.132690765 469170.750847189 694980.202429757 546401.490084331 689234.649245594 733528.13703764 629165.741932025 493944.531256444 491097.776364183 606007.623132659 435204.954218358 502422.80418759 448047.659080976 720039.253153104 637625.729116642 757507.519430724 493971.005470565 479566.605977206 625054.03235486 713256.810948848 716042.027108251 408975.094499337 510845.457593813 485313.838638147 516525.486352032 363045.243575047 628247.223820525 476946.195337594 456858.62082321 630712.537088077 457946.463017772 652901.284831408 664914.428397839 444563.55491485 495729.597022684 251068.688350768 446516.039176619 495079.57379609 480813.16752473 nan nan nan nan 131216.287774119 130108.328926788 158347.21052892 158787.357239018 244371.806595884 238579.963078831 524615.788784575 valine 800847.814812659 nan nan nan nan 225853.924945699 213355.324513309 293717.643107792 325771.878297933 291840.3575884 327249.081679474 539059.30530248 956409.176093166 983041.456400822 1089007.98842629 891612.948525154 528399.928358828 525161.616488834 710280.348907454 958992.240126588 591334.603513125 643453.548055308 1021942.48923914 566350.377340953 935797.406139358 585528.353002578 587623.6452016 850702.040393512 767023.033447781 1181290.97991199 1008992.61385241 555916.793420207 829521.61901295 1003539.58920245 567935.47306627 937836.273067624 887231.814144167 466935.013911239 959393.655778243 614174.97832504 974605.61060296 1244141.61144174 962038.293946794 645615.347973588 533160.608215376 820258.870818007 632494.719690163 876953.712845205 672029.384675427 721578.00489793 933267.004640416 779218.432281112 732577.816599905 604711.136020895 1047812.59056263 940010.722764226 2142851.66128583 709396.859034627 872430.11997679 887180.308734002 649388.340782443 596611.497477986 1077554.36431603 549419.562537442 756488.080279402 1062400.4849697 454260.732642223 809691.319483958 991808.783633598 667997.178149406 864885.400354564 370573.263193453 589474.416952434 871700.208243506 823271.272515791 nan nan nan nan 209075.102279671 141785.088858114 324066.366344229 259814.659812012 306103.308545726 311116.875746278 909094.028966582 niacinamide 6054875.06599356 nan nan nan nan 840620.43088954 827216.088713928 1767663.09055575 1720678.80597017 1973268.48518344 1931630.67975688 13489147.1860349 6511692.85027272 6458311.79397088 6510825.94330322 5972998.1337168 5672037.0693871 4854159.9542477 6865213.67598477 8804759.399994 7453373.78186937 4288450.89199711 6414668.79601919 13302584.3897722 6477854.76913733 7310998.16573061 2874481.44661729 4096042.85014505 4080048.92916901 6287953.86742435 7709041.91921045 4917912.47605448 6084232.42874671 11733867.5950025 13267677.8408482 6270792.37348637 6356841.07876682 4252563.40233436 8266072.12800072 5235433.70404827 6121854.22620922 8750671.38749266 8187869.33619685 7762921.11544458 3757826.86932102 5633147.05944494 13648784.628735 6489243.70649378 3691510.55519851 11469822.4746429 6437169.81564616 7991558.19754094 5867727.05629951 5121166.69175773 5755044.92534234 15346639.4386589 12089978.8089833 13953519.3000651 6466713.363644 6501195.23705216 4608495.48696867 4951170.7904667 6348684.14871877 9673574.3898912 6128590.47226071 10298095.1649665 3733950.26489003 5850053.9336536 5900146.71831536 14216624.3591004 6572811.17793814 2211442.44182587 13905044.8862476 6479506.53844617 6620345.51859226 nan nan nan nan 829219.838803731 804001.707999683 1668628.00874204 1642948.77344644 1880692.06657308 1843786.13442994 6217717.18360358 creatine 15453738.0760575 nan nan 5329.609385 6795.060238 1464130.75741494 1489133.34836256 1610769.50174389 1633585.05994805 2480262.68077724 2476079.0683845 15893529.6081432 13569852.6191893 13392034.2233801 11824977.6465681 8256107.9495895 12737316.7788934 7653923.48193279 13297868.7437446 15713466.4896952 9174458.90967192 7595002.19447316 15601219.1152739 16719232.1233919 14198078.7068418 6149327.04351907 12757819.7429178 19881437.4922486 21834693.9674544 15708883.3471612 13603536.9363079 7902461.07092399 17351363.4141765 14649791.6904443 16879472.9780461 14343531.3213407 14571263.0406708 7360482.05789788 12025745.7730296 11360430.7964619 17500744.8365405 13627089.4909349 15001449.8975042 8457798.58821606 6196741.3253479 16529465.2613862 16820736.3709647 14057172.2322415 16881103.0230086 7744729.87950844 11708019.3862652 14511027.020476 14781822.0338098 13479619.1268617 16211718.0528882 12675277.193378 10865877.61915 16105521.7243868 13923233.0209614 14466074.1457412 7596774.71021581 13163344.408244 13501835.1484484 7352523.92464014 18517157.7215357 15489508.3346528 4930150.56013611 7272020.31910299 12896336.3074051 16666675.08916 14015429.2310255 4565758.71664141 16397113.7552352 14319080.1238529 13791813.5839924 10549.13978 10529.23428 nan nan 1314399.8660243 1334427.24379388 1485607.99160852 1484221.79345071 2225633.21610969 2137386.68050473 13964467.4616136 Isoleucine 175104.432724726 nan nan nan nan 64035.4850596876 65584.3587400473 96451.7927451642 96660.955262822 79267.2450470953 78038.3247585155 32439.0275962349 174574.84147158 173052.981862491 185585.251601258 218161.121751664 107519.179598554 114558.253979416 168323.54592368 219421.466158398 141539.886809295 172118.726922329 201229.381919135 32230.1360265128 181911.890815693 124035.683079601 122340.452045692 164893.070106733 155671.06919838 266827.957558135 219744.773461123 96822.2980321134 246048.801925192 205257.626643369 34010.5763953675 189496.068142015 176919.232864738 117130.37229886 143344.314231876 120869.218254748 234701.262027796 204685.210471118 231754.534773672 135468.677354403 122644.77070344 201899.738875844 32505.4337266052 178418.745520131 137950.318837971 186926.704455485 191133.482515049 267251.090277573 144744.235773952 140830.223010006 181725.615814867 222168.973578754 446011.413705167 32923.1441412656 172233.439755775 164496.024332583 143016.268778374 110472.797342212 212829.559438721 114538.60550771 172810.27586757 248422.404422634 140973.048410985 198540.35523497 209764.286292378 32388.4119790007 180698.451325219 68698.488260623 34057.5594238906 185413.786628857 177930.127973307 nan nan nan nan 63834.0647486779 67022.3785789107 98966.6035372402 98705.5853969137 76087.9611592061 75055.3675284275 176753.594449067 leucine+ isoleucine 596071.549939529 nan nan nan nan 244091.655053932 251473.649971064 383351.770790519 374340.541049014 292316.772309462 293669.465821319 114751.02769709 607605.246482276 610693.837052067 660705.485847998 726628.294170945 381101.441373896 407157.503085955 607839.247099061 744476.988689167 511982.456250218 592475.769185834 685105.25058579 115563.141856888 608736.474258066 447092.926933779 393460.695587036 561566.102754723 588959.091169701 877374.800126106 805081.807923595 363351.405715467 891287.715461299 724964.23038787 115763.364307366 620997.125486314 626830.245381341 429864.551727449 535437.035714181 428904.780638594 798256.706386938 723640.376989125 792570.465939778 475092.835175364 436115.865418311 733925.733757865 117424.745921998 601059.33588272 501395.560878303 673166.666845218 665393.753389463 935513.993286996 468139.189885636 492319.705205887 691371.433759017 790781.352292834 1618856.28145168 112107.995176893 603685.812650438 608383.885273411 568896.015364681 392792.957841513 760631.556032216 400600.83483959 539103.939795088 850815.395961817 457285.975205696 729650.107266772 708883.629003917 114886.94495746 618177.144832111 231196.929863519 114090.993663641 610022.413276097 627521.443791871 nan nan nan nan 252783.043821451 255481.861028685 403348.212090086 403307.627564958 287394.010954761 297680.841098668 622575.39078458 leucine 401868.798242922 nan nan nan nan 163287.289823063 167304.944118482 259942.396736158 258686.980890234 194953.625260877 200280.419825184 75892.9864959911 408992.73340581 402880.526077009 428602.141757402 455044.298115165 242831.340851215 258962.364880257 392360.539291612 474822.723372749 321361.295429187 380660.1848782 442242.916404335 75247.0261610347 407547.020822568 279389.38764364 248615.875292521 358001.54965945 381617.71748622 563555.125994427 481929.434466495 230160.157007269 567913.587609635 470014.976473041 75868.9511587008 420394.527513683 435137.765706154 268851.477871806 338853.715485199 265298.641988178 514116.906540729 454082.173444609 484625.580043338 299162.106509383 279045.897028532 477921.115657813 78431.1880071004 411344.893966116 338387.02768148 427579.763029117 436287.937674603 603160.357453298 292159.055298686 311076.26856105 446591.438423155 492771.991942842 976138.364209527 72876.9085370498 411673.665999745 410026.561514505 358636.402056968 248701.67392842 479242.303527853 247221.686604076 354017.157490316 548750.049138481 286500.717648461 464917.279569464 448988.99048895 77046.5355756043 419630.151092999 143551.820066234 75736.7129623505 408390.063505191 420420.010172079 nan nan nan nan 170226.116886351 169890.93607844 274240.907549374 278423.402921505 194361.226994433 198318.023365554 425327.694105282 hypoxanthine 3270033.07400705 nan nan nan nan 1217305.85184761 955338.368012735 1278678.76788592 1211405.63664117 1286885.52872421 1252931.54963966 5210856.66553558 2962730.65242003 2974076.69674158 3233967.36022056 3303097.56421704 2961174.52705137 1803799.66665032 2522239.89980329 4097449.03443835 6366816.38596884 3012430.43194512 3190151.53756561 5092181.46280177 3018827.74685822 3358249.88510152 1593991.45577535 2265272.34832438 2523039.24444723 3816520.88727183 4046839.51961803 2167841.1560555 3513401.31164245 6065369.45810845 4901854.69367729 3073222.76066948 3098858.29263655 1739238.80786328 7261253.6782611 2747652.39234792 2687434.51445421 5009479.60574793 3625459.54904165 3024238.67414304 1724178.80598775 3450961.05701888 5613068.77126986 3172125.20540105 1706037.94570159 7233403.14121974 3959091.64873378 3847356.66142942 2849720.90703696 2730048.36407602 2548202.30118942 6534732.94700307 13285992.9013482 5020859.86425419 3120174.96135481 3150645.43537236 2295037.14580566 1743191.47197404 3838117.92903432 3299457.95284872 2545345.49685248 4330733.27032707 2632418.91472416 3111462.51060488 3005870.72510311 4469107.67166475 2812134.77797735 1834486.54724293 4418721.71654423 2747259.4221723 2803221.41129363 nan nan nan nan 687900.965146217 655877.017105118 956545.377601849 925534.179413001 1004540.11656249 1007670.2944958 2651732.53444797 glutamine 280257.072398592 nan nan nan nan 13216.7724836341 14546.489713842 17099.0207396174 17529.6808672974 20135.6320159777 22059.9340068875 238474.24598928 246435.162271274 299781.441397685 297895.741417917 260318.25104047 197019.689322564 125166.492213676 314910.12000431 354578.20437881 203114.961758061 249420.289250545 385108.643747312 232433.434049645 298396.957469779 115188.69665267 238643.334402871 401288.817264511 428985.434868671 441274.557047767 273069.059337043 178122.82977236 436785.501287488 352031.767802087 249763.650450568 298618.793920145 297973.86911382 145509.956466799 282235.548320323 159375.584120587 443777.811761352 442481.736014391 408263.873699733 207909.915881242 95267.6172585051 450584.011946974 234040.288053451 303751.730943266 348870.55942816 144519.573928833 330034.465562576 254483.054644509 317550.917487127 260832.485153517 469758.878574248 359942.900822424 232990.256975666 231935.318144149 318013.763014342 299676.104954087 249372.983281165 196767.278238177 443005.490531448 195364.073792507 431153.374240086 405439.312246122 73163.201534993 366996.701522925 288581.901064112 251348.744392552 307379.147929341 104695.909151742 249795.294444981 315297.857661475 298830.330451173 nan nan nan nan 13031.5338783613 12656.8026458403 16044.4742036194 15800.9919801484 20656.4074339804 20786.2711791917 325676.831010247 lysine 6613.3709055265 nan nan nan nan 4681.80316672113 5549.45286009101 4949.81780646665 5250.82862065319 8029.97605870994 7348.41769699342 1662.94770298367 5143.8230496978 6293.15452378812 6331.76556506563 6393.5670069999 5140.19969425795 5284.43851875737 5252.36874652595 6475.15227630622 5064.5122995067 6593.46889017322 9581.5831507033 1477.30008719089 5445.43691061815 5378.99737823245 4777.71563723966 6020.43091439323 5356.71719478822 8275.96305480936 7094.64251042098 4496.08106930248 8666.46595155097 8842.86326324735 1701.93963758321 4890.6912141683 6868.99983136889 4388.78165455278 5423.17158501539 5221.30841646517 9415.9253716552 7416.48259686862 6265.74194137241 5030.49965340514 5321.36696936139 7168.75161356923 1626.94129292772 6705.46057156539 4545.85201659144 5872.87691463262 8143.28215911696 9590.3483278687 4508.50267540691 4886.49973473175 8024.31988849127 6859.0647950381 11172.7750943169 1840.76689310663 6243.36155167667 5926.27849380189 7516.04043447297 4512.32738805546 7678.96669244121 3943.8400688467 4921.70157940066 9292.29550709198 5949.2754877554 7996.59208534345 9542.45094700095 1767.67640844967 6945.03193791762 6219.83196573434 2305.14246474541 6249.11431073573 7295.53342634022 nan nan nan nan 5476.93715527313 4887.32600705864 5493.72614939321 5062.19659241141 6821.59438436629 7599.45507989064 6312.60014276072 guanine 1181432.09924671 nan nan nan nan 183010.041895002 140029.65048862 180828.917943915 179575.427128399 264676.617265483 284883.365896403 1436153.23109716 1070688.53316675 1074129.70755946 1469730.86810204 2691109.03851209 1426959.97145347 1913297.13061617 1486799.63419977 1402786.84396359 2769168.31520524 2110760.64795567 1336624.96808902 1483835.4324643 1142744.1016095 2189369.79268743 1171759.51945155 653156.997905059 650571.115741328 1028102.34784903 2774603.70157722 2096647.59808535 1852177.34919769 1615426.45742939 1532474.33150532 1223258.45089728 1203738.83314076 2244245.66645645 1600466.0536383 2365430.31009125 1855137.37759536 1482161.49932877 1832166.11606623 2432964.90477654 1971776.55344902 714500.351387338 1747568.39672474 1245297.86757299 1038637.53616585 2811786.51243632 1723547.26267932 2005799.53687798 1582160.1205212 2074228.23756815 1550848.57346826 1919831.88587353 1933516.47383087 1533017.84695042 1263510.95260038 1278278.33264539 1896263.99627644 1326821.10438369 1712235.83865433 2647124.98623875 579350.92748064 1937943.23572709 1709610.08557224 3340513.89294763 2010907.08314586 1407113.03707999 1125605.04616708 1101995.35408467 1400905.08161323 1123497.38599254 1123451.67112523 nan nan nan nan 125956.071896384 120098.319493367 180238.242730835 166348.525176001 278340.155952637 284146.52066511 1131007.66191082 S-allylcysteine 1115819.98482998 nan nan nan nan 507724.75369715 551011.564489453 852614.645934035 923137.228451624 1148050.74459332 1169247.13374184 2357.53270375356 1336068.50851476 1304018.87434843 1668072.78288584 1715335.27460457 937028.003088577 1066968.31188559 1307737.01841138 1377538.93680985 1111311.87488241 1403783.43514839 1613031.5342593 2708.16210668786 1363227.93120499 929052.897938043 994884.41953167 1091259.16612076 1006655.0194174 1985248.77957311 1211591.2596284 975171.319959695 1485668.30677089 1415135.45470236 3841.98805367144 1478912.71992086 1455327.59428108 1073458.42626603 1301820.18361293 1373360.39155759 1662696.06785321 1289264.04055982 1942872.83802794 1038330.75853985 1395782.16729917 1765307.87777661 4192.89886844587 1449955.14138318 871068.291655666 1852734.59966622 1918990.09628951 1975333.69015379 1199256.10666452 1240135.87978838 1429313.81215907 1370436.06500046 4440874.56328317 4372.1503769851 1362373.82039265 1332229.09879188 1005944.1327297 795290.250167316 1789765.33235235 868260.074422928 1108047.16628759 1653002.43007306 1617049.61184287 1162716.09100914 1523775.78000237 5801.75868283594 1325799.46644195 718157.4171413 6450.57682046873 1364600.05797359 1308442.09791482 nan nan nan nan 519890.453328102 518705.34657872 807664.757452935 845052.592281649 982385.697555437 922875.692873319 1170688.79259714 carnitine 11850146.7205246 3335.320325 3103.52951 3624.721762 3825.581003 420272.152336633 422947.703046368 550618.006409802 565924.199526873 435972.074331665 438861.42323202 10356884.0568175 11402565.8728857 11346995.3812591 12933125.5499044 13628942.7800929 7633952.22137904 8295235.82645847 14234752.5264104 12971393.7445515 11049597.8284864 14301348.0798867 13086961.48116 10131541.4363713 11089583.3728492 9562738.8841056 7781344.35766772 10733159.9923558 10859951.595976 14199549.6972392 14265059.0627445 7829450.75599787 12527512.9003199 13970038.3059045 10266732.0724589 10842758.9712036 10826407.1032701 7952925.72909391 12492872.4915755 8737152.52007651 13009261.1103248 15358394.101039 12955057.907428 10943263.0079195 5970244.89548939 12998774.7745087 10194335.063443 10999761.5055323 10015576.0054613 9568091.42099906 14088928.6523857 13940766.2496573 12574040.7239275 9248392.45594704 14513140.7748834 15143780.6824635 4202962.86991126 10260179.5997754 11169591.5831028 11070725.8206359 9940983.28704385 6614686.30602706 14785432.0782464 9977934.10052531 12105029.1246311 15467143.5265281 4938785.35540681 14775170.9672282 11495955.5108128 10474319.0310515 11184098.3494448 2776438.32781166 10483606.2671267 11139300.4389943 11115079.2036381 18466.66086 16504.82376 29635.10003 31889.32118 411817.696141422 395877.465331968 510397.281784527 527511.454924806 413260.831094882 410817.114685582 11348318.4600399 urate 531504.889048902 nan nan nan nan 1069210.07827186 1058497.63923884 790990.702113332 806842.091512579 580760.148188839 609517.170434952 476874.171679677 484930.31912352 471133.255015547 529981.422141882 627045.49894535 710396.232064836 625137.855979113 449764.428485614 536426.484394171 732377.309668261 562792.594195057 484869.432168745 481675.288618048 496306.929875918 749727.234004528 386210.58801663 423957.395954986 423783.085703718 591700.91280178 894127.65328639 592693.044173755 645493.117094563 650077.746453445 473084.7611166 488466.730469249 488020.18410403 399990.303171376 706570.815955518 416455.564642912 567997.480674132 624137.91275353 513683.687401099 476102.068727659 518169.545466788 486626.033473358 472537.419359977 511926.255420183 382985.566035603 986434.708325973 575613.143553872 592142.892358657 530893.599303417 575573.242601483 628658.761538121 607899.174066519 1147626.54438899 459019.808939254 505066.053279018 504717.825676127 546436.634342221 543781.393499379 640225.32510741 382284.199254336 371767.738615993 681995.395405905 638670.605949874 617437.976376751 705139.231516777 453204.884564363 533656.544448307 422113.197365863 455905.003483505 543839.854372238 526092.07874121 nan nan nan nan 1117578.48280584 1109175.58640642 879186.850981871 876322.42860842 627419.278297011 620755.513411526 548433.28999578 serotonin 44701.8120957805 nan nan nan nan 16751.9586013329 15054.6104793181 24213.5079806333 26670.3315487295 13979.7083549394 13518.2063505565 44507.2000552704 46151.0537540564 43085.5973260948 85328.7859887243 52061.582167476 29998.7334265746 35583.3627112679 36410.4525919288 49585.2957467411 32651.5537496057 35670.6117390922 3171.84001125141 43786.4897131255 45801.4494033227 32249.9599848665 19129.7718752793 27219.8767052427 18415.4091636856 65874.3426686814 79041.685501471 25303.3251534503 37375.2750207158 66230.0124325244 44125.6851318276 46958.2655474919 45739.3825357787 27907.7586374486 57260.3717219825 33487.2842552901 64317.6847692057 67104.0154134082 65219.5009820757 26347.7555443393 38829.003984366 55788.2077416855 47056.3395302423 44570.9384217642 18073.8343526363 56319.2930482974 61270.7865660185 72663.5868958382 35600.8121722972 29364.0243878271 52362.8842130721 53562.5551206505 97391.4380960345 43227.6747936484 43670.0970891087 41712.5385143751 25007.0600828427 23374.9779740557 69542.701525749 27432.5675541315 28519.1936877815 55176.25413246 34532.2276305108 41558.7150369635 53267.8415352096 39665.671337393 41156.8515002775 16086.3958090189 40824.1328838528 41300.7141153837 41009.0722355462 nan nan nan nan 12195.0410325986 12976.9543981166 24314.3943039893 23848.8288992715 11439.384252767 11807.3979963819 44774.594162962 hippurate 23926.0505271494 nan nan nan nan 51905.1091069965 52668.3892422346 70622.7462786815 72512.9432205001 35693.338932436 36644.1645287335 38079.6512631034 30307.8044455864 28642.4469120584 37375.0807107841 22386.3320318727 32825.8125707826 20342.5042958856 35940.0553604648 35337.8248419651 7491.16464737355 14060.9827204095 24709.7215254721 38354.8786659713 26928.5559605382 11109.1260434322 10025.2288783128 4508.16547244458 19456.4774271432 14718.6828083077 83561.6259616812 14167.1805496414 23784.581386382 47710.1964555731 35302.8297811911 27889.9146136223 23949.847271851 21836.7464154585 21357.937260161 19552.9148648191 41704.8206222729 39183.8808759425 7590.40774080293 10355.8118119129 16030.0284742051 23299.2388430459 29927.6930072783 26765.6137316705 11861.0445253965 26769.5905938742 12590.2402196421 33469.7685872311 12533.3394687806 27636.4910555619 17029.7307418745 30710.0098912445 96944.5989872148 32563.2153738855 23730.623095727 24547.9906603151 8227.39893095381 6781.05023038061 10742.5700723645 17460.2202105463 19254.6342685767 25971.3276690679 11040.6944329239 26427.9283586272 35275.3707170162 33616.0129038749 22981.131858435 15954.020791026 51054.2836680308 21350.3585376346 25086.8924721539 nan nan nan nan 49577.3757018305 46350.5116030431 65259.5565782992 69436.8546899012 31534.6743018129 33803.6087286476 26962.054980288 glucose 13447.3935279496 nan nan nan nan 56224.3645542785 53790.7557254515 40664.5938930622 45942.6110565356 35867.3929077104 35151.0976171002 39842.6802554969 20391.4133430934 20094.1025956648 23201.9157219244 17663.2009153539 22348.0035263381 33044.8594249975 22175.0617827456 16048.0163476081 33621.7854932778 25043.7458842647 20429.9980886223 41889.7715566243 15669.7821902393 20363.7130573911 19771.929999683 16224.7292477453 15374.4272345692 20018.3776766599 25962.0555901935 22045.8408628054 19936.5398492377 26716.1105896061 40245.7275348038 15959.5692019895 13929.8910389776 22701.2701185224 22278.7465318602 31081.9536950698 19398.0950738811 25253.2158452692 16269.5630100284 31660.9076894556 31833.03645801 16999.87163828 40090.942687046 15278.8850024378 13583.9937721622 42369.9713821431 18507.3868291461 24548.9707941727 21991.142498181 17603.3820465856 24648.0531840848 20852.8396961198 15447.2952841072 39052.7327362913 13313.1442174986 14335.9639279759 20582.0184239512 23015.4314941789 17161.6307877631 24931.1531523689 14342.0149224632 21474.6587462925 50600.3112121424 20235.249534443 32066.1174926144 42096.0549058023 16804.328567023 22694.5127575138 38460.2749142943 11934.9808589431 20996.0377638809 nan nan nan nan 45971.7790124583 53559.4515034136 36085.7366635614 42549.5492317409 37693.698066655 29018.2020314689 12850.7777830749 3-indolepropionate 28303.5732735057 nan nan nan nan 25012.1931148679 26295.6115427942 32212.1943964259 32483.96201806 31536.8439661404 32312.8253461081 37771.1209094658 39076.7251939374 38726.1225570245 39469.2468442933 26673.6029155608 29823.8941803532 39874.8094883989 56103.4161810994 38494.3335588658 35466.2835759983 32756.3551954217 26711.4979818617 37088.0995190472 33122.8098737151 19215.9567168092 18691.7345748782 39816.4917078999 22102.4035663336 45444.0808404292 39746.2608047559 19011.6209829683 24044.870059551 31283.9462573172 38309.4277822073 32834.062115673 32731.7683234393 25519.37492913 34595.2942969082 34210.0960544772 41618.8588603784 35878.011018417 36815.636584274 29705.4869635473 41777.4530353455 34500.6651163506 29303.5257370225 31820.2617178366 29881.3900196456 52079.6291213524 37461.312002854 33390.0474228237 34561.57733747 24151.4862798572 25431.140657661 26271.9879289672 65629.3588024625 31330.9121924354 29020.3279334082 31691.7434355544 23636.5766440294 28040.3931454221 38572.6868047452 30150.2828122404 39370.3257741514 28356.8785462227 47002.1455175489 20159.4948431757 23527.6370309296 29790.4115398242 26613.9300190554 10061.6603715483 46781.083816918 29545.8226077396 29391.2858326099 nan nan nan nan 19333.344305742 18016.0750240404 23673.5711902283 25725.0621620023 24240.7069528579 25763.4842778042 31966.2995130112 3-hydroxyphenyl-valerate 9519.17995376826 nan nan nan nan 4206.35859206285 7512.13033600105 5579.20248895912 10952.6418212022 10681.9881302653 9775.37358893095 2955.28090078867 9772.72106559926 8872.23235970094 15572.5767840544 11886.1042648781 9516.56596027967 9502.71974447278 13388.6817595474 13321.3087196367 14131.7490370319 9908.52363594399 12540.8616310144 3312.91986071146 9912.99300303191 7417.61141120279 13412.9127504558 11429.1522872394 15167.4818517494 13521.2990704046 10019.4213415559 9971.9016736797 11488.9085928285 11928.3314366593 4259.37810907547 7126.98908810263 10417.6327755805 7110.32479559905 13272.8577054985 9796.42632918893 15508.7565454381 15436.1248833936 19867.359514381 12133.5476687498 8910.45919032998 12763.4576700958 3263.273552034 9678.78171697977 12613.6834593846 12433.3207171551 15190.8690404873 30493.8551000167 12184.2023690015 9706.53642481001 8600.10330471465 10233.307122103 10451.0016672192 4906.32562927027 11087.6080149023 12397.5632844985 13408.4777678098 10942.8014648719 12282.7935234059 23414.5285357475 11085.4561019257 19919.5829180636 12084.4483379257 10176.3865360976 8764.08217145192 8015.05209353516 15294.5920305033 9208.90860156446 4142.76128356275 16012.8549054289 6998.46508598389 nan nan nan nan 7338.78187819812 11814.3082556275 6289.91582459323 8500.22619205359 8059.25548270862 3732.26314422827 13963.381388313 Car(2:0) 12886010.019052 nan nan nan nan 2339937.85573524 2254955.49800707 2120303.83820415 2199184.67113191 1714376.6225962 1748163.53053998 11716537.7172967 11966151.7040714 12207367.2673004 14463385.2527301 13114711.7115361 12640208.0304425 9284044.93716581 11801893.5287918 14921250.2293306 14816796.6043369 10563169.7578893 14351543.4357049 12506697.8228293 11706283.9853342 7704815.0022261 7612203.57954571 13031646.8088908 13006721.7222747 16274803.733171 14781686.7074579 9282462.64247373 15337586.9159225 20762501.3475376 11985263.5723323 11452173.0693403 11525339.3070556 9571558.97702775 13513097.2627775 8927257.51019667 13844416.3159607 13806315.806757 17348869.9450414 12802319.3356103 6475103.23924509 13005578.258602 11557530.2793741 11912375.6436222 10232307.548282 14097528.5282008 11197308.8320291 14673510.4138336 12244374.7118836 19389061.8624848 11810670.06507 19035900.4261354 13656084.8121367 11704159.083886 11250781.6016727 11586334.0941482 13232331.3928358 9318810.53385422 11818630.3057542 18121941.6213228 15110542.9216275 15274807.4537884 5080645.40053382 18687675.9418378 12586843.5694921 11174468.2100612 11149661.5849799 4833760.05972689 15866442.9502578 11601291.0852427 11602162.777905 nan nan nan nan 2205364.49951467 2172305.43583216 2048716.24310049 2085621.28984757 1681609.41824327 1711796.15657665 11976606.3959262 tryptophan 757410.521404269 nan nan nan nan 511732.855513739 497903.906523074 590325.236157175 612131.129011599 473196.651837488 451062.70624577 141465.876465041 620212.440725282 674773.698039588 763260.834475077 801355.047428343 442497.468325895 505017.486759537 600688.576967178 856344.337491805 543969.537467981 551084.992703485 734867.316670895 142571.626221797 606525.848145162 457424.791156177 393935.931318125 541020.355174554 585128.91294901 924310.350389244 1001132.83131101 372370.871995419 845848.129986089 729969.442914868 139371.590619595 649165.310660764 666829.438608561 405220.501168419 628842.550679751 486025.392304161 836305.062219497 732241.100593993 849477.507379536 480478.098103779 453248.608273336 752180.516696582 138913.178010926 630769.009977008 553998.691550491 716612.695372816 767957.623539726 1016346.9335356 520310.159742082 547387.752126369 708177.052475445 846550.105325956 1473083.67184981 143481.871312186 623206.422836871 669461.305684158 510726.610609797 439240.590663709 745559.275186732 428516.939347524 626218.82025899 840533.252678778 503328.005455034 795588.676788407 748663.598241904 142674.890357405 618626.990525885 262125.429173009 142933.121655542 648056.859746129 636851.442440282 nan nan nan nan 464437.297335189 455929.872973812 570554.066411386 560602.648730009 438760.73514397 416324.755456824 623707.983820973 kynurenine 34666.0836015259 nan nan nan nan 23638.6063197642 20564.4924326593 29111.1527065661 29135.2215011439 60207.7670736264 58317.9398503297 69977.3869133854 40192.0072291459 42854.8383607731 144368.053107763 22127.97395123 70539.9591189212 4208.52149137732 11521.9968380603 41306.3693140954 4043.60842651889 20396.3984173966 72659.5534042278 80610.3650037818 38755.9890425859 13409.5908781868 7105.14474929873 44572.5703098324 68408.4896934584 15768.2052185685 152613.626223839 10700.4473119033 66722.1028507653 129121.388692035 65405.595417049 38751.6936158919 37399.806938474 49002.2386797671 4312.7584027189 11885.3122909407 45754.6737188309 79976.6899438514 16433.9508492316 5086.00670813829 14263.1749580546 11813.9285559953 67618.8829030074 38041.9258211275 31420.7564117053 19501.9959231498 14300.1936393607 14022.4332830571 5049.46422599699 50001.9858057919 17513.1901374156 11277.6415977963 115985.438129651 69288.9527840231 35358.0282474125 34555.9773479578 5534.15371126744 5363.61554433792 14581.0482025812 38452.8861444416 4722.05766659817 113596.331550211 7268.21992362196 29366.606014614 51373.5396260114 69721.4167199443 36286.3359363835 54990.6187136274 95397.2682617784 34725.2999115191 36804.5326768333 nan nan nan nan 17385.2086079633 16866.9701896372 25238.286062926 26666.5469971202 48413.4551391257 49649.6978434698 39331.216086458 FA(12:0-NH2) 31035.1518047774 nan nan 2498.280263 4129.837965 9249.65396387833 9640.26504686059 10395.2241140484 8820.02267805458 8484.65689480167 7870.36472058909 34400.2315571616 32742.0741005926 33821.2059329643 8883.96393431474 56237.0985341533 33222.544927098 24824.9983333795 39947.5004223581 20339.7685127566 10545.5527285713 11371.2647386883 9026.01528438676 36436.6534934622 32855.3416311486 10371.8645706905 10762.158303954 12993.9318237516 23383.4853852972 21329.4163496542 54600.0997470924 19613.858105931 24559.9195278551 11633.4752030407 33243.1389577531 32717.695802558 32495.8346943277 98077.6387920268 51283.0517806183 98319.33373738 15768.4876952377 62145.053664359 41806.4614113542 7305.96554657771 15751.4020715094 14766.966404916 33269.1218896591 34321.2582954293 10865.2394192006 65277.8647209088 25272.6523503457 16160.0961539051 12223.7993082841 65790.480847253 30340.4064222238 12567.1511398029 13687.5539530674 34611.6846617038 32047.3773423043 32235.5918673397 20580.8096889977 9834.93701435667 9022.37093784502 13440.0524240903 18606.2932435913 25317.2335446269 14321.0382241359 43331.6450535118 31093.7019216818 33520.5559840778 34005.9069004373 84783.1703126767 32455.4808563732 32975.9173296073 33115.1671605853 3323.632086 2886.067143 nan nan 8350.15345387709 8599.50102416772 9914.39142636901 9033.08343703942 7839.61674090549 7335.36475326883 35624.8889859722 Car(3:0) 1241522.07366405 nan nan nan nan 350822.72468559 355578.34224235 444018.777827403 442702.118374084 595324.315643228 597632.475450462 2777656.15470822 1267836.60362071 1241119.37948941 1340281.13913963 1584923.53463899 1036834.06273713 1371972.04654132 1169300.44728807 2247507.53998107 1374574.47653348 1145083.19959638 1153491.86756073 2897245.39712461 1328673.30829077 1021515.99373553 671090.303077068 1014805.40326887 1167773.10633433 1221720.0855116 2512013.84223689 921073.034883217 1595288.07323715 1581597.34329144 2882282.57284314 1329998.11894204 1339465.34485464 918125.818838052 1057784.96444891 1102732.46553412 1613250.69123036 1604960.36264861 1408000.94062607 1014359.77430655 886262.70974922 1305879.3290577 2826187.46264455 1276613.35728917 735001.788986592 1369320.22287318 1094771.96291181 1359040.2083552 951786.784337621 2453755.50941488 1412685.5695686 2075490.29870473 5924865.62840142 2644068.02142836 1236354.76287369 1302834.63869134 979362.670552026 897376.583966849 1030382.52290767 1137031.13841443 1260726.19570311 1474592.68661469 882691.399058107 1045633.33632231 1734428.17386295 2730444.44467496 1253353.50777035 559863.144589859 2682732.75916194 1261897.0552975 1225784.16588859 nan nan nan nan 379210.228384238 397138.537229166 481586.532302565 486958.926588512 627260.243841319 627577.080959721 1297917.05119879 pantothenate 6670696.95923263 nan nan nan nan 934886.139736291 936042.988864617 1144769.22304212 1145088.39984023 1450549.82319569 1440023.73229562 7404080.18833484 6331151.97255938 6538416.11128278 8018681.46627124 10180756.5954591 7061426.41824552 6417667.19638707 8791919.48158071 7388130.03313149 7797331.53077089 10451115.7104561 6155942.08603701 8153446.83888201 6782798.68353899 8023256.88169431 6034377.98183109 5200065.98678344 5185675.90116683 9324975.17213915 8231587.26972872 7211003.69945193 7350767.9170014 10901400.5585807 7982618.15889845 6925425.15048211 7023901.56428282 6709919.81717297 5426062.22993211 6089541.668827 7436056.88193624 5720719.01695595 5935572.26615353 8274815.44866754 4118551.44901247 7332775.23057813 9569049.5972062 6622369.08282479 5287304.06292818 7298500.89203496 8512347.7074714 9061838.86485419 7691837.11868226 9234944.48493848 4690165.75406588 9169436.83368323 4476974.44007381 7954448.42231643 6725502.34026465 6782218.09057707 7653206.43530403 5548050.5147753 6677684.89336847 9819740.1455422 6145334.3496391 6656430.68629799 4225976.91409359 8381857.27210198 6045347.80165126 7950984.02425112 6725377.89812252 2439475.99006294 7973807.46887585 6734907.22012467 6705314.37043975 nan nan nan nan 771959.898567633 775325.908341565 995568.614313344 995510.471313136 1334475.24900887 1351458.81962939 6647428.84706902 diethylphthalate 84127.2117700887 50791.23515 48556.74305 163636.2941 168968.6562 7233.50124893134 8354.47438905012 13458.1973901618 13682.1860806693 12153.1475855131 9984.41047623414 91535.7410156489 85985.0417618448 72140.3204580876 83759.3751387287 47809.4431344272 48097.3348900764 36788.4035671029 74826.8974345338 57453.8865297338 63023.8910425462 59041.4529973521 60160.1376301557 88339.8195753849 62091.1159604888 58530.4981378534 48769.1789215779 58545.4103903892 65744.5778802127 84807.3253155357 64644.4283957546 48716.4290136908 58775.0022596092 61589.2093541025 93587.3101937407 69703.5025506875 66962.9183779689 39770.0745711304 61302.5803738529 57635.9511210851 67103.2512339197 64593.3134146401 65510.0447086491 52958.9583943125 41613.739108951 58098.7318499015 92689.924768457 76078.8857089559 60623.7568874115 62570.8893920607 76269.6500173354 84557.6078307914 73854.5485953647 35279.4739685211 43350.0891020027 61742.3434918982 52341.5883589918 82414.6766632776 72015.1548193436 72472.8736902933 35675.4870942802 39504.6017080681 77541.0414153042 56963.6698901793 74830.0624004136 48314.5583451606 6497162.36000473 67138.1320079983 7281114.4189234 93356.2056521439 68433.8585306831 31406.1860712761 100159.553142223 74333.6239273397 70061.9286343855 95576.01844 113846.6584 35495.59541 35617.42994 7599.51328304929 7952.00141036723 14304.9819039498 16598.6450595884 11570.0166700017 13177.29509079 79467.1546017876 Ile-Pro 4384984.82755413 nan nan nan nan 238426.736860264 199818.07276222 268204.600991035 261408.107241175 192102.934699781 192648.073370207 3083249.04282396 5020770.55808812 5076904.89769505 3260210.34604311 325005.285744789 4444805.294265 432319.408330007 5118779.19305639 5514539.52283603 1430118.45078498 274831.672855195 7485418.09339139 2920132.04740114 4991106.78749413 216833.752961103 2346846.71200998 15527670.5653982 17288083.5598575 6607162.25703896 2817615.07053314 624321.273719642 7875508.80810321 5642077.40143789 2825402.00837324 4706282.39692407 4679880.80538192 276689.32211255 2782259.35927189 2201577.0538925 8775892.40061553 3467820.81411115 4947785.96122127 472362.469932744 189507.367056117 8285551.96991328 2833752.23780768 4819320.86416216 12229286.6369049 326534.73788951 2310393.11151868 4876746.5050109 6895227.4972705 2223956.59040231 5623907.7017331 2501947.64255904 2670443.19936482 2808757.99024953 4763351.46085327 4756535.57961982 296726.791119749 3320643.84562706 3256161.21524275 287428.255024666 13008875.7894082 5818663.91101918 197815.552130505 351973.960407828 2696946.13250658 2701417.70067471 4751566.63954406 148308.805159245 2673016.08159235 4653728.76877824 4633219.53392041 nan nan nan nan 152272.355926431 146024.498586385 233284.052264801 231486.148361602 186637.993749433 176827.061573291 4700401.67432005 Leu-Pro 5469568.5011242 nan nan nan nan 151237.651401358 149676.01548833 245828.88123361 236060.138835252 214549.583976641 216979.895504847 2624324.77170724 5225314.61310767 5237512.71645188 3365450.20711406 353917.886378353 4328217.79134785 398192.213505128 5340179.46536379 5400328.96138506 1367629.20075631 318007.401928203 7389045.36776139 2831325.85012313 5333774.1406615 260738.309125868 2826274.97032259 15408465.244611 16887822.0980724 6544601.55848872 2749351.07801208 714062.30806691 8696285.98130866 5957497.4300723 2973681.02688371 5707806.40740587 5547529.72913466 345566.817136282 3325062.60052442 2683316.83832467 9851108.13681529 4057520.86241173 5347274.97916792 565167.041034146 219265.733884569 9276091.57455938 3149647.28530924 5397994.59913968 15071209.5008097 339124.035364762 2679470.51604018 5223618.94333895 7736419.13293905 2654757.20109154 5927462.4771648 2658273.61626329 2345431.20965704 2922587.87461095 5508955.49186696 5518169.5115031 375034.683309613 4111164.65976257 3554171.44092485 338934.927888168 14785011.3428912 6217871.95133555 272880.09538982 379334.599027435 3271380.17649249 2865592.5504611 5457273.081035 181608.583423017 2894243.85046141 5396874.54116665 5387104.50983447 nan nan nan nan 157446.731805029 157557.597210741 263894.30895165 262299.073585123 218015.50899653 221647.979867176 5463855.72148543 Ile-Val 16231.199119457 nan nan nan nan 616.537508619582 641.912160170655 2225.34078242149 2185.95955111717 1288.36525508457 1265.03646444156 15007.9166537377 16595.3659979464 15607.5275596887 20884.3960640949 19938.3736405914 8662.22238262478 7928.88108907833 18289.1476273889 21049.5397869137 13130.9861050535 16417.9118248747 20195.9723489593 16146.4206636456 14924.2256213584 9412.71344532594 6096.72610306492 13129.5107105073 10153.3432312182 20966.5811145974 22377.9514975126 7870.30833881799 16404.8578150492 21944.0565757578 12735.2676588175 14067.0900958748 13064.4485017306 7673.91613831444 15943.9201896773 10143.5710567811 20684.9843719468 19895.9425299683 20655.0538219399 11191.7580365859 6018.39133508161 15977.370170613 12760.9848232837 13983.9120105792 8562.02170246129 16788.0547039447 18187.6720298778 23320.1770868859 14723.5352891079 10292.7935304851 18901.9116639341 21355.8088431687 21972.8755304522 13621.4682423851 14797.657831775 12991.5593192572 9561.34968108377 5256.24396685335 19209.1715004537 10879.957297135 13081.3913021524 21354.7057812862 5803.83108169936 23164.5430093063 16097.2106734349 16986.4668953001 15158.5413835487 3335.29836140025 12966.4530118283 14581.4368170087 14240.3929787784 nan nan nan nan 554.290934957342 779.79882091107 1361.19649595505 1844.33421177767 1187.71559091397 1063.89051721097 15097.5109830655 Car(3:0, 2-CH3) 1075691.70726764 nan nan nan nan 1510205.64194576 1184795.66333086 1389602.53856365 1275747.68450451 346095.647090582 327566.112609576 2522587.25316163 1264643.75065168 1319723.5810459 2089483.99641946 691495.532289139 847299.482388116 1308440.25602867 1514018.55256867 1059118.18045612 1291417.37412715 1755763.21644745 1614270.76392913 2311755.45296363 1244655.00763874 344134.208147517 663738.147180868 698916.610671657 525637.192255986 2233578.71332513 1002624.31778554 819472.26710197 918552.124616989 1931358.3161083 2188994.36302837 1216293.00508278 1205959.79300399 823027.572224603 1461336.96128709 951915.421364077 1705071.23312771 1764345.2706946 2121240.85270918 936567.511245128 599306.431901035 1155631.85165212 2393958.45710935 1190422.10956311 514018.914916818 1101275.12144664 921778.551643873 2408387.45393216 741842.149914082 1363997.65270328 738767.598046602 1351914.55636245 5140349.20057571 2107450.26447039 1146723.7358374 1143745.47931908 1078432.33874088 919670.302868211 744943.943792348 841511.638484699 896074.538129717 1559146.23061901 358509.22419016 1623113.19928267 891362.84999876 2010995.38080855 1131876.68572891 530655.733596897 2015052.58288864 1106349.82684041 1084322.32408871 nan nan nan nan 859840.700078763 814238.978076509 1078585.68715193 1057334.05196123 298692.843049883 277224.099488608 1187936.36577457 Car(4:0) 4527171.27561774 nan nan nan nan 1315050.96147936 1315786.43686145 2220552.02729141 2243476.75587161 1671771.60529089 1707091.63072068 5363118.93493525 4201518.26531806 4063689.31227019 5419079.87548165 5707958.77703248 4477500.1607531 4200538.05620295 4145877.09842588 5848258.77487692 5252122.29245706 3921846.30329327 4822928.57492291 5498175.45091707 4233451.80258954 4077924.05895846 2574378.91060648 3564505.1141865 3617854.00147941 4825258.48392278 6154964.50271495 4163497.06024625 5877261.83448308 5708510.87519315 5597305.6686566 4181969.96514797 4147339.29833835 3434626.26876569 4986654.60620166 3672048.82273437 4497519.63012441 4561376.54038016 5455411.54682946 4233176.95577895 3038680.73643296 4205453.5010555 5515824.87214962 4153786.51362439 2344024.07442825 5272409.18037756 4397734.88616958 5217687.64619047 3171843.73905379 5758160.27526281 3887128.23832947 5068386.39935123 8198175.18275249 5411596.33609248 4181386.61431845 4186480.9312836 3649264.3012184 2506337.33684976 4394512.54873828 4083822.77470653 4238570.47790834 4372654.91866065 2961127.10603656 4582555.30826988 5006408.75084588 5182793.42297849 4049363.83513111 1847781.44642151 5272118.99229989 4158956.34096724 4023743.97270509 nan nan nan nan 1327147.59869553 1304836.49066706 2169713.64267782 2169684.90302343 1653119.8919555 1653244.89115526 3990276.29450767 cytidine 28918.1356181168 nan nan nan nan 56103.0526397015 49258.7068114444 79387.859199611 74747.6559139091 53996.2267682315 46224.1844672773 33435.4985314722 31051.7655393395 33694.0388701589 35725.8939166391 44974.2789097958 21418.8798059426 31908.7254705654 29886.8179375772 27656.4948616948 29970.5570239046 29714.7138040897 30485.3525382165 31889.4595520699 30845.1329538097 42768.2355141003 18080.8416034785 20260.9414615032 18333.1103848803 30242.5958547593 40013.7080244015 27083.300956469 29651.8715615874 40845.0981873188 30122.3809504105 33655.7608084559 32667.2384100438 28330.9005759691 39402.4429607693 34630.6091139089 25271.6400005302 38969.6416965579 32511.3659898642 32111.8543552119 43233.2455277613 26921.2079452632 32602.8831797356 31197.9903296369 14448.9484242191 64667.2502259373 37614.6569470746 34378.8379174024 21353.1008002544 23362.8550718916 29102.0650135093 40041.6212271133 188734.75307334 28848.263092874 30816.4772088414 34366.2218111311 32218.3654999942 19362.1883441892 39053.2894992231 22907.635280019 15953.0248759295 37799.2922136267 32974.5060855581 37911.1195426914 31424.8646789843 29903.9933152434 31972.2697602605 29136.7669455455 30654.8051777638 32025.1062927703 28616.0427220767 nan nan nan nan 42595.6956095328 39606.531285296 69052.4953366683 61455.3129116701 44006.1973574121 41231.7743376266 31828.7276600657 Car(5:1) 15796.0170335798 nan nan nan nan 3100.1603412185 3084.84366920122 3735.92486842606 3810.39597771323 3378.22290886601 3763.39889057955 39411.5216210878 15320.4116419193 15385.1595068772 21256.8627829193 18597.733638173 14827.4589982145 12545.6455489474 17939.527947456 21383.5112067029 12341.6083506337 11630.281683956 20440.3856652525 36402.620368008 16200.2632511671 6277.99781009464 6081.70570184992 20784.6380216929 17735.3853721162 22066.5515181324 18099.5683269859 9932.0557225431 37943.1951388821 30277.7671737286 35136.4794545435 16379.8610470075 13180.3698080215 17447.5923172468 23089.9219932606 12050.1663699633 25803.6834463875 23082.380182872 25179.2630974585 9556.31992215919 6622.74456918021 22332.8911942393 36753.9031863349 17009.7400257959 15266.0605366722 13826.0460214323 11785.4681985633 23829.0436932975 15844.5528593156 39452.2805995824 11465.8571413756 23217.9109983443 94599.5048962353 39417.0840633229 17060.2083510482 15956.4940162592 15792.9549882604 14111.8643092792 10911.7734211226 13524.701344562 27687.2487287247 30235.6114531711 5851.19756916537 24357.868975943 15449.755092219 40479.3437709001 17548.6546961468 3954.70295062202 54660.3288737514 17296.2357223176 17058.7764262777 nan nan nan nan 3368.21073145971 3467.04132158495 3078.23790352822 4260.51296860237 4320.16365674165 3817.58128609622 17521.0755041362 N-undecanoylglycine 827082.419820028 nan nan 54647.14068 65060.536 18676.2502277739 108282.52752307 151864.040339952 162377.520522743 73640.7152023642 72472.921989499 752522.04030865 780978.588821625 811900.48945531 119497.159543469 464570.466560467 330126.422192924 289652.517241859 897782.247133744 217485.372413374 107932.843825332 147650.164758072 106389.314727807 770790.422642591 785335.969437929 160139.909984709 129280.726913435 275546.981747056 343849.866930298 213448.220145547 770187.124097384 493385.310472864 276144.533406379 198027.957077254 764091.743204424 776691.523948526 795360.097572352 962308.151364007 423085.197670346 591703.937697421 179722.776737326 2060987.23949452 288613.289527962 112103.490426139 211390.138429855 159263.085394807 799332.463027992 767258.108698055 178602.200462842 547909.46153143 534565.299770172 297260.140641308 129851.849984498 404568.082381902 253354.889338426 148184.174497212 152925.431370643 745014.422062908 761505.595746505 769316.376183813 383036.479960784 137114.856427952 110625.353018229 240170.795060447 178379.503373521 328957.36035736 188002.837325306 694893.726608666 1075563.21736594 756201.168125584 776813.719478559 657490.992682179 758660.110350108 784762.577965854 776489.608739378 5782.435409 22185.11078 nan nan 147680.332796345 155589.236341107 154849.952181297 148272.791925917 67025.8038053724 66863.3814318375 802442.414079961 Ile-Ile 19024.6077724621 nan nan nan nan 6311.80553199349 6595.20295572716 13563.1415128637 13063.5212785678 11870.9948475949 12134.615104176 5945.77250856515 17490.0668364733 19661.6473896891 20661.7731603751 31011.5123327237 15948.308892841 14321.3579870346 18499.1433064593 19835.6750943973 12846.2989054857 16217.7009326223 18750.673931162 5326.84631500402 20443.7106988901 13100.5261959806 11205.7025637835 10096.0995375772 9252.17695959602 18950.9696024451 21163.1311398568 14023.8031134025 20052.9305960544 30916.5250025266 5891.5565050527 21843.9225708098 18783.8657895655 18284.0732815566 20437.48321811 15950.33580331 23476.2302668614 27658.0927020058 28323.3010424717 18602.1999306841 21337.9412923135 19210.621270594 6065.57764773479 21940.9912928283 14619.5411075912 30510.4674894734 28694.4928802408 25260.0053343903 20035.4961359927 17228.5823407246 24379.7204860469 29605.4025417289 104021.275132322 6092.67334911517 21698.2737289587 24425.1313517657 22553.6916521516 13806.1802118113 23375.7212016037 15690.8140594975 14203.4054546234 35622.9145774314 16865.095931322 18232.532272998 26140.9418179938 6734.35437093287 23623.8516518322 15020.7188920925 5747.21961188431 25166.0127651324 23091.7224416797 nan nan nan nan 9051.63938746724 7909.79238443932 17931.5174291004 16264.2429947152 14003.362588553 17420.3327672426 20173.8555109798 Leu-Ile 18178.7485057997 nan nan nan nan 7710.29102244208 6841.77871525068 13684.9972540028 14006.6915086148 13690.1444433073 13432.4917955045 5900.1521690301 19050.8160547605 21516.7569199822 20486.2641169265 31175.0216495096 17155.5449152474 13981.8342722415 18434.0151514889 21607.664195404 13786.3370103555 17373.7992723339 20445.2437458968 5781.30968274349 20391.637728317 13211.8115796274 11458.6551357982 11985.2360300198 11054.6433890479 19283.4909573357 20663.2962472116 14146.6095659014 20183.1247458414 32540.4380657574 6103.8902115163 22222.959328788 20563.3453190214 18346.6944365539 20499.6452433495 15967.6174525883 25239.0220367137 27776.2490742053 27614.9987877569 18328.1039205357 20823.3694124388 19378.6458521424 6575.56547035972 22114.0970095844 15076.7698959301 30932.6481512665 28659.0665007546 27220.8255962554 21816.2800196426 17227.2221629157 24747.0379832539 29856.9043253279 103914.337754343 5992.19539990646 21893.9701029222 24839.2429987649 22694.5058987239 15309.1707998893 23465.601914061 15788.0430920754 15239.5773304832 35838.4616148925 16687.8410652805 20177.9755812591 26140.960036874 6758.99122554699 23619.0813222562 14792.0271471801 6814.31386946403 27622.6208130813 24545.8404991927 nan nan nan nan 10027.7343348379 9700.91798163053 18385.7577493467 17689.1673721752 16009.1998397462 17669.1696682958 23505.130463146 Car(4:0,3-CH3) 1037072.3882322 nan nan nan nan 256540.879444017 254958.936366321 272372.562891009 266454.747723838 138162.989837933 140588.169401028 722520.696303084 927701.88624555 976364.033719525 1388355.04995798 831712.855989796 616062.64089384 1055236.59649108 1149859.96101472 751944.000275273 926832.877525234 1206239.82654579 1310054.02288579 747113.835295089 1059867.64584218 573653.051644735 514468.015421225 632462.159787438 577674.303701153 1683255.85330397 705617.731409655 709049.138573419 1103691.5699738 1422665.95004582 760255.412534808 992388.527110514 936850.568427538 775978.373399743 1116927.15511744 607642.53271803 1407186.60762931 1456616.25728233 1956741.07843646 867402.786439499 426852.813880801 931989.550913863 671263.386741471 1013688.8531811 456117.472607586 883080.825855116 1000861.35140682 1804197.62304577 614177.184434455 594629.24042067 694339.129376711 995565.461974388 6897813.32580412 741130.213020887 967481.878933318 1016807.2712707 750714.594978586 599513.240053519 882195.136299888 571248.045773437 525205.337584178 1444050.61337834 536866.227229209 1103404.18765026 988678.157235276 723893.71122636 997380.680180236 351706.899240566 722917.441234225 992636.836144737 989227.549572558 nan nan nan nan 263989.242883671 259442.560840764 270024.923865843 279049.297368318 133535.590505195 147503.397719 1039830.37413037 Car(5:0) isomers 1339632.6071877 nan nan nan nan 325039.468709811 311389.603995968 346874.707554604 343571.249522954 247815.948508262 242158.598592844 1301863.32539788 1304336.68113696 1230686.7609891 2163312.65384435 748959.983849969 731353.658088297 1020835.03061773 1745522.20533874 1009096.91547628 1478607.21788411 2270557.23457804 2010038.14919654 1352136.00523979 1317703.86136789 584065.457216544 845110.665757283 791214.704010583 534063.505113948 2875666.79584686 1088291.0608327 1060489.87037425 1146070.35200721 2637142.88399995 1420778.79003872 1312414.8496738 1299277.76779044 987515.427613989 1438326.53444404 981744.734105917 2050375.10640842 2311748.40303217 2743323.31727519 1440911.67526476 477804.259228198 1477380.16293737 1322945.5718492 1322118.78439592 616190.816163323 1297276.97540571 1574744.51729466 3236377.86822684 934553.264345364 691743.437056369 879000.582868453 1919697.00854661 2596199.01650573 1341164.18735874 1373830.51770124 1394746.37335658 1125804.47934709 983573.216762144 1290661.4124805 1200750.14082463 533190.702962148 2466550.2516674 524115.782962819 1910082.95529722 1146103.22407553 1271364.61371344 1302630.07772676 530511.348858878 1278039.57225111 1429572.24242509 1291115.25193371 nan nan nan nan 343981.760572382 330035.393677645 373440.030897139 375651.141004771 261868.320124816 256329.042838868 1308430.84019012 Car(5:0) 1339632.6071877 nan nan nan nan 325041.26768378 310293.853982465 346874.707554604 345880.807355241 247752.585675318 243086.354896698 1355270.07743065 1294307.80555946 1279761.68180357 2068421.67991512 713944.401603581 688651.84214284 1008322.63415265 1693388.53430603 970604.635556186 1408657.34117927 2184073.47833785 1988936.52348607 1352136.00523979 1360347.25312277 567637.197125522 810484.813651762 743564.226241017 517095.620619003 2774504.51241943 1035141.81493467 956501.170169954 1060561.0198328 2575084.66677686 1385665.75317211 1317867.5062454 1341779.30273282 889309.151141176 1372030.08304683 926155.846324849 1989270.29519107 2219581.74624303 2663633.71596198 1387726.95968489 443055.824439261 1448473.35202727 1376896.58551421 1331991.34575392 606278.806516098 1275407.52750527 1544748.260916 3100954.94474811 895902.259914459 595124.39144858 840531.281940382 1850949.35529286 3001098.82997973 1319569.00812513 1373830.51770124 1394746.37335658 1064770.37303696 929531.90133982 1270523.27273527 1160345.77531684 501927.233489371 2394479.28147213 460818.500345908 1800856.39024487 1065838.17286341 1314527.35836387 1302630.07772676 480393.198198398 1278048.65056564 1429572.24242509 1291115.25193371 nan nan nan nan 343981.760572382 330035.393677645 373684.953395999 380700.241995346 261868.320124816 256293.68857437 1308430.84019012 Asp-Leu 10223.9616981637 nan nan nan nan 7094.85632139218 7229.65538602979 6987.93204560518 7292.19718006382 3973.49206507002 4705.77854538161 9688.13830102732 10707.3219254108 8835.48442758779 8898.16601097449 8622.88720425139 7952.7571176009 5841.73271978924 11316.5441583236 14029.7542036536 11009.3558959188 8331.55509288307 9759.533103437 9711.48776857071 11189.6656003488 11608.423652337 6838.16661161572 8344.17024873429 8926.07994667634 14347.4111335993 12992.3725241512 7406.67685982531 15275.9873189357 9471.14213478031 13804.3564643949 11082.2869635291 8208.38438779768 9792.61580140964 9847.71632032786 7912.67092556963 10571.6155446317 13390.1402395953 12503.3610133821 8237.44252736772 8457.51971666067 10653.0621663575 9277.95986658088 10947.4286125045 8801.29594258172 11427.3917282435 10837.7067197935 12666.5638847997 5951.0001305276 9047.25831857424 13787.057284268 17886.2140770857 35238.685671272 11846.1652452573 10034.3047802422 10981.7383209786 13859.485263904 6265.58193973458 11872.5003301002 7757.60184324895 9471.57385173514 13720.4941571895 6855.18364622627 13757.664962035 11430.4034191771 10582.5955418393 8984.9447212411 4630.24232524935 14034.1267343925 10462.2457981809 10394.406002678 nan nan nan nan 5411.05024772499 5108.43768794212 5674.24328065318 5761.88179775635 3474.70937262859 4160.60184637276 10817.2125076327 FA(16:1) 58304.8093282059 22167.10354 17729.83572 13511.7741 14507.6592 88178.8573472112 76812.7959077187 50767.6611640957 51070.2746196723 291658.791498611 302209.555268919 120389.323014133 59705.2960418033 61080.5992571254 47281.6167051414 87510.8709489867 42259.7169257486 58216.4884046025 36827.8075992026 86424.0399344994 34175.3887911489 49050.8781063111 35911.0021329658 89616.0229854412 53354.853307252 31371.945671634 38724.8038934945 36596.076229328 50923.1242790572 46909.2346254807 86907.108319061 32498.950809994 86548.271346547 53929.2321251068 90826.1784390031 53772.1298881528 55135.1880052153 33107.8951396307 42219.6401041039 34808.7748092805 53557.1097896287 42285.3352267641 39516.7230830281 32019.0409940746 32111.4876899415 42383.815405497 88471.5094778757 48049.0654430499 36038.851521814 39641.3155611929 41942.9736413942 31824.9895722434 25280.3382327028 20851.85566554 55357.7590117756 53253.4240907321 44410.2848534618 83658.0048308819 51612.092414187 54452.2715685077 36404.0290307809 36212.7744442183 35817.9511214218 22243.8179833475 22990.6644210644 48739.1258504448 28747.5655939792 48574.0757262843 62852.4397376964 75865.3543959257 50044.286935704 51547.7143060261 79982.7964998966 50727.3538319975 51320.1823112055 7563.162697 9786.38264 8576.572855 10904.23884 53016.7963733555 53945.8302174059 45151.9623452245 43066.0762089047 220606.810400653 223715.199119542 62188.6733316869 sn-glycero-3-phosphocholine 232259.354819515 nan nan nan nan 55150.2239772096 65565.5574418841 111091.83501897 118244.280559531 51329.5778471285 57147.1950988077 511791.395872938 269168.457953688 284198.847015465 277927.795423066 369092.434045393 364225.392785457 323511.497996137 288227.456823468 227091.956118878 495169.170175618 692187.299962895 215608.364586681 497413.300242393 267019.796192885 596893.736170251 438301.224601031 162775.406197463 168250.919325187 303413.61538664 233088.159411501 361972.23276797 201958.549800841 299125.494882558 428054.31797019 243833.912363543 242466.139258684 462700.414435366 236823.997871834 563154.486287993 159499.525873867 251430.192085828 246238.315060657 404745.119469033 652078.213147687 195100.984364802 584073.667710738 254447.576820807 199579.867345321 644840.068940764 250798.583161385 268571.823555304 236161.482807433 432089.632989407 165879.628841278 324954.66366192 383406.607458736 436926.978225016 243826.125177608 250527.406715677 390626.399617918 184473.604711552 204432.149337028 781254.818239038 145719.703525175 186225.01198717 530062.602420188 419922.962987192 150452.406668705 476490.629805129 251317.871331801 205320.698897387 463439.825266145 253178.387292158 264416.403945168 nan nan nan nan 46386.0532320484 62115.1208041199 123260.012713296 110040.593093206 49734.6077826486 49251.0943387645 270446.449806858 Car(6:0) 1226219.00351073 nan nan nan nan 790232.094249908 777464.576472271 1370915.89866825 1383867.35791158 451526.284117385 455010.448135757 1156262.57494041 1245102.49221461 1230519.62645447 1184500.61348609 1271948.52579493 1197950.00849682 877741.3218921 1006451.88980583 1658210.56105087 1075988.73408862 790088.596698228 1466417.85628204 1152523.36722929 1259138.7292771 665343.582012194 661597.859576369 1956271.0065569 2475304.70495746 1314891.16316438 1612277.34239405 896704.012946605 2195559.88832347 1396023.35767642 1151108.41307277 1251855.86793936 1249279.85614924 649672.803931786 1027912.33803046 722619.467997782 1191780.23768588 1024073.91227077 1350157.2234681 812997.627984723 595368.798738833 1111397.15919122 1200763.65827754 1227662.57136553 1312638.11637497 923805.997861372 888547.817407731 1126641.01993755 1093343.10629256 1246329.48867791 1145736.49103863 860670.101266065 2526908.66505178 1113382.0980296 1204146.44019962 1204218.6373955 697227.641495875 808836.978772647 1172931.28202205 681228.069366544 1901595.33338856 1212773.30451877 572211.169214249 753949.895751885 1078932.78613741 1099778.26910551 1191335.40301007 387034.48611787 1076555.7349007 1192407.43938365 1194377.44662032 nan nan nan nan 768467.433308215 764030.273480782 1402790.4588731 1397498.46177942 473047.11114386 484910.536304322 1239155.22070674 gamma-glutamylisoleucine 70737.6573624101 nan nan nan nan 52039.6058109781 49236.6325435776 55190.615609088 52927.7657203506 45201.4399152668 45897.6376842426 64660.4186726524 77757.5228435313 80245.7546985509 86784.3451408268 115203.998291682 49956.1440121655 41990.1085101135 57774.2207009434 83622.2371309755 52048.559585876 60899.8321118035 91285.7713603109 61751.4740928512 79262.3343382914 30562.5156849147 35519.0617557798 30957.0404301951 41054.0080166958 85289.1131497301 95015.7195743586 38009.2592193877 69960.139462956 106764.481676778 60526.7086351904 77222.0191590474 76540.6128772146 44243.0576282642 65862.7842634358 37447.4409541562 87002.7579394685 98323.0404046487 99589.9801794494 47331.6024150427 37060.1867225898 94474.2765255451 63524.4969828961 80119.4396934461 53927.2988803096 87282.1092535566 80799.4883673443 80983.5472331184 27773.5096593459 51534.8629062429 71180.4431204052 106007.909701023 181465.591259319 61730.9864543336 54070.1199775006 73668.5918168023 50894.9526962774 43836.4531947395 86364.3947709726 55935.356672384 65861.5252867426 105231.036528131 33840.6370782312 93503.3767427642 52434.1699639866 58762.6881922053 65544.3407456797 20984.3457977198 90772.4416619509 59470.6934190691 76275.5905186976 nan nan nan nan 53075.6553765643 52611.9509993573 54779.9982105023 57685.2155697804 48766.6121473499 49318.4638296769 78678.2363562275 gamma-glutamylleucine 68859.8757700373 nan nan nan nan 59817.5705974158 57637.5265470362 67535.3577297953 65204.0393086712 58766.5376830533 58358.2980167058 54752.4213683646 70539.2531317016 57588.0939068289 78600.6110196094 92251.3412773141 42646.2212806785 43949.7569395832 39629.790711602 80109.9515645791 45300.6676262188 53154.2276155205 83534.5142188879 52330.3668975898 69002.3944276478 30836.022164574 31218.7269320109 38035.7250502974 40492.3210751557 71676.9154914149 93321.0168275108 37022.2374867097 60797.5429555017 88681.3902377691 54547.3037073934 71631.9457087162 76967.5323398443 32569.844282596 59673.3422448342 41717.7917932605 81399.9524282065 91082.7720595417 85211.1252885148 44860.734038987 46251.3957182023 89740.491017495 57870.0216128377 39523.9148143197 50083.9255491868 79135.4704151549 81848.4268313096 73185.9335661427 26986.9457858687 25588.8859946287 59686.514171413 95304.4589094527 190840.316020769 56189.568658453 52467.1265228834 73929.5465238506 47437.7930185416 44373.5617997363 85707.8989610241 17035.7543806997 57399.7330801242 88412.7330000217 38975.9710128358 77699.681522803 51428.0193215968 52579.9819110489 51831.0368858593 24061.58078553 58014.788410089 72316.617442098 71595.5647468589 nan nan nan nan 64003.4471764627 63624.7106565399 69996.1530894151 71643.0936115996 62828.1615018996 59639.9641987709 69972.0062413144 Car(5:0-OH) 456962.34398846 nan nan nan nan 145169.227807884 109048.084846236 127698.94518974 122584.853748325 136276.440856578 129001.470095557 546651.032228031 475277.723408383 487047.053975979 674894.310529459 424780.7398898 282639.136633909 340379.212435737 463620.88076436 662478.312838971 361907.128329103 391796.845851844 670524.930221182 537936.692915763 475229.620067733 222013.260697612 265104.36405676 598682.779524419 524212.678297957 701522.006260168 663742.717640239 238359.498391289 711947.827898197 794415.323292417 524027.69485568 470356.332693388 466114.890385304 255432.623335655 594118.566933959 401001.095530414 692306.499398168 826936.331065003 654952.224480984 301680.265417276 302627.933732418 681434.515322467 542361.463296159 459606.619677306 442397.433847093 573586.817169123 504093.751780214 585595.560288763 451567.456044762 297902.475696357 560369.837090666 613884.970975331 805957.51735276 505014.978299794 466487.806577075 456908.494352998 283910.259981295 245065.361470476 594921.441866795 239840.378143523 565722.349975165 766668.655671189 222672.133138768 460714.130057508 469585.252229387 481973.606626022 445877.934394147 180262.542541794 477104.029509931 439247.27542589 450568.352376039 nan nan nan nan 83896.017763511 80762.415852505 107441.301054138 107740.397752098 116013.820930476 117018.23732713 448645.450714004 deoxyguanosine 4956386.12724524 nan nan nan nan 845600.369500599 852801.993181384 1530159.61626873 1576400.06905315 637920.063888899 633941.543812574 4167258.08326699 4322905.9736721 4228221.81453877 4172045.46640684 4062061.39892431 3754741.20072899 3610050.16929464 4431293.09827657 7794805.3101016 5120831.8771045 1988619.84940255 3984022.61381674 4278105.97378677 4481941.91670353 5919214.4529587 1940118.34036815 3761903.62939286 4568157.53102406 4140766.44896753 6100698.60324645 3964167.50327587 6441066.44742825 9067852.68716838 4222611.03801991 4425052.36102015 4472973.6685256 2815325.88736586 4922375.92837337 3399409.75139297 4725081.94485458 7430416.53418298 4674004.10696982 6048557.40045877 3100299.87852316 4797137.69920225 4134649.90053709 4313019.97346221 2898587.3921176 7228434.09875869 4109294.08511414 4289994.86295118 3552755.4552504 3248395.32732883 3925168.76870249 12515214.9927786 2834898.2286063 3849288.8642294 4131727.47702556 4267100.49527054 3735923.53559807 4001188.85116822 4574463.23805244 7094316.98766049 5168471.86619531 5920338.41161736 4142477.0710166 3992787.38289248 5424410.39773369 4078046.29724799 4286132.36638082 2101992.96031235 3997974.87028006 4355704.94277478 4257362.59354924 nan nan nan nan 807127.053216617 826130.928250248 1513838.22340859 1542653.86802344 632638.011818317 625844.195680228 4387349.00960632 inosine 1291547.49870194 nan nan nan nan 1118930.71161126 881642.856320673 1345989.7901813 1235094.96383208 842307.958539464 837556.42302189 2426754.77342479 1472739.42686522 1464071.90770263 1137907.55341245 1513304.08088154 1655154.96296754 1411165.61519797 1182591.8547878 1771512.84302129 1898402.40284937 706816.188655287 1170021.68907414 2261045.22889356 1392234.57558442 1703773.41558766 718678.143700011 1149930.42537613 1423971.25124279 1077150.47342247 1435795.38020238 1234430.19039644 1530945.02929984 2483498.71766095 2190008.37906736 1349997.93602327 1327824.10601619 1058129.1596759 2210150.77029632 948027.255344979 1049926.35157323 1655578.1306946 1105279.98631358 1768442.39595522 1354557.80675165 1003311.9797243 2282953.28976627 1343307.22554209 1017718.21032539 3075808.16489601 820693.116445985 999247.567107696 1405718.03972609 1331331.4160438 884404.39935134 2610136.47003924 1644529.51674292 2140767.86073904 1323135.20640626 1303257.59031154 1140433.19384306 1275196.38229209 883247.291990057 1933812.75146457 1446748.95766256 2110663.4972218 1092453.15421895 1007791.66772022 1170908.9805603 2117616.01973008 1342369.55307216 984850.547343309 2120542.36201272 1321177.69481737 1327049.52795627 nan nan nan nan 642410.936657003 624788.865921619 1072268.46228938 1058920.46540102 699520.318373661 680283.544157999 1333092.30087915 sphinganine (C16) 1427959.52671828 1615471.43 1664963.738 1672637.703 1745595.566 864360.511829685 1182434.09206625 1402264.97707539 1492462.72152246 1498059.55353949 1493066.37089198 1807239.10977199 1468172.88159195 1469546.10664747 1579383.94801183 1718841.92008146 1529096.50951896 1557333.53985803 1566472.29710351 1501517.03470182 1443726.29889111 1558603.6374215 1537936.67572072 1892405.99283726 1482379.77491871 1596345.98198677 1694329.96731866 1568349.3745945 1789199.64738259 1684365.40723218 1660851.11746526 1532331.912469 1661575.82714416 1571593.91336305 1925667.85796167 1504839.21047279 1470933.27693091 1514147.89757869 1545018.75648885 1555627.36866375 1605665.49143375 1510415.73664804 1604112.24618516 1555128.74094533 1500804.80720746 1464976.63743442 2317407.75432508 1409832.76634114 1520778.08026576 1487000.55116768 1530487.99495158 1526853.29205835 1460433.00416366 1510428.28428273 1526370.24954179 1460525.8529308 1516312.85147479 1800501.25494428 1368447.87153242 1383792.17497913 1516754.98015112 1451456.21207552 1561339.10733963 1429564.33963844 1483096.63738946 1534567.25990664 1467615.06460397 1580329.69737939 1570230.71226073 1754390.53041955 1386830.75425958 1412527.06654242 1701766.69409451 1387357.92639229 1383719.50385796 549975.0096 803770.347 1075023.483 1185659.102 1298217.21735574 1362572.34020762 1391925.48740954 1426081.22929937 1410193.13410738 1428089.5202179 1347316.03669282 monoethylhexyl phthalate 905282.771146011 451613.2455 329865.3066 1314927.895 1341896.95 895270.10623034 878591.665200505 594046.466849321 609781.116935188 719805.359981513 767149.580658661 462243.527176711 961385.749972112 983836.908498027 840320.896651936 901829.177640582 566989.95956406 833221.715664236 1286752.70498215 1704874.75724769 549346.773301489 488756.185384471 578033.057818338 404636.896584104 905276.377496852 768433.704407369 869981.215406423 900371.219057534 738574.31060232 921473.597667348 533404.883520597 953979.115686824 749909.143296329 766331.951316181 396504.113095423 888344.864149641 900477.320041675 596110.060417644 648921.043873157 715739.844704128 516956.252372463 2347449.64314564 707299.034792227 838984.353257643 482682.089285032 757161.540507248 441029.251357359 934357.734283327 495030.298881714 785430.326788503 1075286.14992683 1384653.15660072 508379.153086612 1403805.87039349 1033384.81239424 492646.520133813 739664.887806926 396806.495755084 918792.075751841 912346.534108856 929574.965257215 879984.814381483 578787.679703419 1338448.90675874 689856.408843015 1271461.87578335 1693424.88021353 2277524.84540922 1326722.7760811 398022.791385197 912852.220471368 542376.967608468 399525.667375161 919972.186154725 922960.358882798 658507.5614 886217.5872 415357.7179 445871.1441 900017.576185146 901092.488449832 633753.361258623 630250.389714964 752604.746987833 750475.225127355 868706.719570045 FA(18:2) 256388.053352945 nan nan nan nan 630637.673027892 695351.912149195 418205.308001927 458205.494293699 668565.491078421 649768.289033727 99621.9161981488 261338.726494843 285798.12476775 274705.878269225 283059.911648299 240393.740336895 281837.887815244 236330.623679656 322141.436589757 229793.179741898 248362.76405181 209004.27600189 83722.8410319822 223274.07628828 234946.34346522 402965.23281791 236382.677381032 360537.066643199 263285.764498388 308982.144070058 240057.067435889 306794.93031694 169863.47490667 85159.2583015367 230399.010329927 236906.423686771 216482.216775584 205994.517565788 208546.260927054 222944.977437283 187008.114255263 238606.800641337 212343.014059387 245701.319230846 210896.098641044 80071.0012265053 215387.586252295 234181.617064769 189010.975918992 253517.563151922 210456.529044789 192934.108526398 149567.795321968 213839.357856715 213220.388841177 246916.28312833 79479.7515792453 206871.950754844 226136.448221898 204653.733808335 224873.631284315 210285.577347744 183177.360161566 229457.628026784 207624.709080612 251302.193265192 179030.220810668 235047.357431394 76845.6807354886 186745.554943724 228894.721377546 76462.4857543082 204900.881961753 195576.392853065 nan nan nan nan 627400.437854808 663701.9411452 376986.649006687 398369.834665143 613935.850974994 584448.850268623 241629.439123379 oleamide 223747.217140087 nan nan nan nan 164633.04310197 175186.382800521 89079.4778721203 100061.581503419 272606.740462117 288084.520138161 140478.267885735 398067.822560532 437714.851357265 58963.9910241689 126834.260084327 83939.4689439949 78004.7090425653 43585.5539839526 126474.501385629 179150.021787687 81883.5804596704 52942.4837549532 107108.471327864 386554.03825233 140256.851142372 195522.668104366 181712.619991967 150372.372720701 47730.321648248 297517.13910619 59572.8427822997 129361.215160397 351568.160235332 119479.26352572 347776.058388452 340477.913398064 135183.571598626 73665.8889155037 67851.4071740688 182813.75498031 196689.021633658 63292.8360817332 63890.3258254393 102354.445253719 44426.3116177623 27447.0218944122 339564.118728644 188720.005717257 193720.776449106 31511.6086801127 65924.2631606538 72227.6223245192 58244.7120447866 89510.140340221 128538.610372278 50282.6171755219 17955.0084735898 313449.709412099 325661.770932196 85204.3400560161 113429.589360149 57892.1731001584 106756.460053705 32480.8622782053 359494.182797438 53519.8590448048 61839.4371770833 118307.128409975 116956.191359869 322934.524725222 102016.286826708 121213.930855263 348285.297989116 326985.452509216 nan nan nan nan 151542.308832587 151190.781400688 102613.792460556 104405.830142955 251411.54616049 251749.799094271 398026.753957843 FA(18:1) 108189.723260479 nan nan nan nan 363983.75926734 391692.67717169 162898.146663503 171466.220137985 343086.606846631 336902.33554296 56145.1636596046 117491.812388031 130633.76027694 120312.845982425 141597.342343399 95288.2385779613 93620.4608926311 83740.2724790285 160625.98495259 93654.3915460396 106911.709495288 96782.7025446015 48470.7588055562 107921.298293824 95568.4906943687 204118.60180963 87537.146792624 164163.314745317 102088.708644514 188244.962010871 105632.242356733 150222.767132325 68293.9626419299 49096.344237419 109559.357217955 108615.332676032 82476.1411782383 79104.9321734721 74946.7010622246 89086.6987010408 74349.7546628987 111386.818453391 70934.5217940871 106783.8291065 98931.8494015376 47137.008364999 94264.6635672922 93336.6991037111 70425.9385834371 118588.756935882 93789.670836982 76314.3185490434 52395.1473841107 96258.5124457009 94825.1313173703 145695.012045002 44621.8046006712 100721.449710748 97653.7647927565 76662.7601875052 83797.4762220218 103366.815602411 69050.4259897036 88149.7074246802 83839.9882253939 100463.109209593 66773.5758600729 96134.7029223455 40507.1638471763 95307.8510113247 72445.5479270369 44113.8356706399 97633.086730932 92668.7692064335 nan nan nan nan 343004.405346549 337596.387590583 140909.05717219 128711.654468549 300812.35402503 274115.775649704 97732.1948119132 Car(8:1) 45622.6555569659 nan nan nan nan 31110.8564653267 29143.2787485757 17819.8623381389 19341.3558470051 21398.9889148853 19645.6091520347 45436.0605469109 44229.2560600045 46935.7415714345 21862.801466734 18327.3066062475 47275.1226661171 65329.5772913364 55393.6789552179 35723.334168867 63021.7333806061 63535.824238148 37760.3632499863 45072.7652018959 46100.448370998 40196.8072445162 36114.50152799 73317.7039238994 102269.692428277 30606.39304877 36565.9115751483 55691.9465298184 41495.8505399138 37169.5069342087 45706.5385991755 46768.7394561234 45382.9570636342 40993.5808193076 27390.9887550895 58939.899427111 27554.745781606 41455.6618823815 32061.6273201592 63813.0367032561 27069.9838463638 29083.2077812473 43210.115603731 45647.0953752531 56196.4727651363 39682.8252131564 21124.2054147234 24755.2428100803 49811.790486601 37743.4155281408 29495.8144806306 35532.1022025201 62182.8898057557 43712.254371543 46255.8933414279 47612.7263995997 32046.175043001 53414.4679446106 32902.5200015606 59855.5590174636 74473.7221515885 52111.3011735667 20332.1026372682 21991.3721524461 22396.5469621253 40915.1059521349 45437.1296469139 7202.79591911727 41320.2222835336 46421.3282023971 47792.7624468959 nan nan nan nan 28243.8354708609 29967.3203704652 17843.4236282293 18960.6901237405 21051.1167756056 21359.2236462603 46021.8787920443 Car(8:0) 724956.673823754 nan nan nan nan 399466.848771522 395300.701985848 677141.354998875 686778.47559837 311436.471823417 321051.674346048 601900.517940969 745626.194122921 741702.250166008 551489.691050963 592220.596026907 651738.08581954 435250.402396798 631256.159140444 906507.691304567 521891.719710211 457094.472158011 961771.831661712 600023.945762984 748429.400662212 299743.673349601 385418.833734658 1490063.1500988 2207485.73080466 775180.975638065 832421.651979392 478502.416028152 1342743.78234918 844519.314611554 599555.793964312 756428.809656437 737434.789643535 307381.293754788 411751.763817271 413553.027326805 611124.61768392 571187.136950214 748245.13085684 441923.349157782 324102.336082755 674496.70544998 611220.489149147 759252.678078976 972835.336611371 453025.251531171 533146.235522298 566501.086342151 879063.15182693 361570.340816379 769754.179067731 506249.754410179 1269530.12423651 603563.419844394 752128.631817529 747916.169656327 375537.595796866 513477.263549984 778955.3579478 441952.740177315 1251237.77185938 989056.325747081 297801.301814668 432683.972368389 560941.208132214 608385.124750009 768799.555362766 204281.125970196 608751.453853128 765564.816426647 762096.111243561 nan nan nan nan 408980.930198516 402814.618041494 707076.256093323 709328.570271101 323177.161305973 327218.674184881 767052.099719274 Glu-Phe 14708.4142164488 nan nan nan nan 17914.5136496936 17651.013802095 17664.4074461443 18533.6840934586 15117.1541470117 15648.1923013333 12813.4175898504 14774.7065563826 15532.1295450436 20147.0098568588 19582.3345124609 10358.0631437706 11668.578607871 11714.4154028428 13519.5527017711 11123.0261094044 15191.414735026 16548.8981336357 12049.3249885491 14924.7372542736 7390.11006068195 10665.2712510185 13449.2436491945 13790.369161607 22498.9453573169 22523.3681519847 10733.4620572462 12114.9610573546 20359.2496022052 17287.5300067994 14388.2580152777 14947.9229727839 9544.16351253398 13576.1275473032 8249.31170683429 16993.239897373 20921.0546165397 17586.254450485 13836.7354825602 10414.3877922513 18591.557424615 13108.5337907997 15192.6960839455 9004.09552838719 24644.08030393 17298.9310317628 21906.6028031758 11734.9540572499 10170.2128816168 16055.4513017928 20851.4096048177 53587.5787475932 13826.34988128 14934.4183864752 16512.7048354058 14352.6110901964 10297.081363183 17011.1333958778 9497.44228107225 8985.51276511465 17868.8663563183 12931.6610412948 23205.6789296988 12701.0272747779 17481.7460014064 16016.1008179179 7786.05553912619 22528.2723598487 14815.982959754 14543.2548406292 nan nan nan nan 18383.9692312962 16972.9741845855 18008.2857711752 17125.3646058912 15675.6894719136 15558.0487919389 13836.6963416243 5'-methylthioadenosine 267236.314392179 nan nan nan nan 58981.2527935227 47578.3527598631 54073.8341894195 51142.6010543564 43354.4573260497 40116.1240691303 2398750.75023643 268162.325141842 267655.089308655 280695.803939583 452127.569822917 235607.212594012 278257.752056973 250922.281083965 319910.823729655 230312.539805576 233973.308348416 279429.855431882 2205976.67816586 260189.690383128 157363.087552558 160566.283945653 284018.437492187 286152.848115413 275545.350101407 501918.546726747 245725.946605073 362040.079603517 478263.497303195 2098479.22318963 254692.598232064 255444.951394539 215519.377661011 273071.389739737 278331.288569767 280175.965002418 398607.540897929 257779.759803685 231546.394829484 224232.242033938 264668.135240946 2107038.79453165 252685.321764336 205052.186570145 357312.485699806 266836.634358066 229416.04457791 235084.880095199 291086.566374549 268598.903800524 327193.811511885 513547.303993828 1920286.22499825 245831.761312043 250550.676973908 310284.559755187 170499.158799562 282998.989928974 194117.180499914 250280.161558747 359563.480895518 166597.27879961 518431.886314144 362732.864354709 1768543.14929185 253676.263401835 150391.791805996 1769466.93461792 245075.246795382 254425.676744339 nan nan nan nan 43195.5732388435 39401.2119500299 53699.3945468008 54465.9542490505 43437.4389944577 43932.0331428447 274883.438752942 sphingosine (C18) 549716.865007133 nan nan nan nan 84945.0508122495 130206.032037811 195186.254512198 229351.792841094 186761.880163716 209286.046353378 276218.013962201 565140.437382308 552435.191334557 440394.787922546 529278.270934935 361479.317247956 267698.598026511 458722.688415915 452265.935150303 416239.184424513 458095.201107671 546983.523948938 314828.899088409 530298.667561749 359889.730465807 278794.176874547 331581.56366245 382321.200484563 633324.247876068 477813.165317245 306271.789650783 495693.240937257 630814.167059139 285952.117586976 513572.980634442 495484.938722874 335511.188821879 404371.065853797 387485.644444356 434909.371741099 569868.332835151 471531.508094259 357765.236750949 542192.217202694 441911.829941131 265176.638295843 534817.532497181 311850.286305974 962964.842908361 517963.891174526 507082.831030023 343966.824924679 459719.930319322 506724.350056158 593145.138187255 1328396.98242734 284020.708408675 506926.742008267 513429.923759122 579964.024676907 309913.409644818 509459.713033859 348597.610082607 419769.012562537 522041.242850891 981280.135604848 565728.576745762 525943.273047789 285049.031987627 517212.020803716 273124.243446833 405244.339009873 526689.864464708 538818.374148928 nan nan nan nan 147396.872035348 155016.802149299 212937.651529263 228570.865275637 181768.635847585 195959.096399415 539489.379351914 Car(9:0) 30949.344475102 nan nan nan nan 2595.10327483703 1395.74192035537 921.451496458091 1130.89669324147 4816.62070393091 4840.91680494516 18110.4263959747 29902.7852873311 20617.0647994657 19156.7913299811 15772.2178940463 21220.4599482569 10875.7303437376 24875.0432860065 25665.6134913235 17818.8914558274 17424.5656362191 32202.452357364 19050.8919031078 23883.7197554507 11376.137644605 6678.50520613424 46005.1090166083 56525.202810266 22736.0721675456 33096.8979412698 8959.88716792357 31897.0033594923 27432.3520046661 16745.8970213803 25466.0694032089 26316.1822433957 6630.27641806554 16764.1502066855 13633.4151150111 32706.7051916931 33027.2886493247 27966.8192428817 11082.3936202705 7349.08239311098 26696.9635666645 18376.6958820979 25061.5984858389 23698.4930153624 15750.3778342703 21147.9694574957 23947.0536086053 22026.4389643354 17181.2020197145 32416.9630789864 21359.5638100568 35046.6625783632 18648.0201369058 22994.5469970811 26035.0398820682 9954.85200881599 12188.8513960139 31146.2112649295 13831.4281062013 36635.1246299654 38400.9578996454 10781.3752882707 19135.6007235417 24939.7227187634 21323.4586850515 25075.4353674462 3121.41565832463 20634.6192035518 26694.1327807417 26883.5235998397 nan nan nan nan 1223.97141331572 1108.50991835265 1138.54762546272 1615.23686472095 6099.69896995259 6416.97825511912 28409.9490110999 sphinganine (C18) 218148.084086948 nan nan nan nan 98867.5070047416 106668.488619881 60839.345970567 68688.028252733 99003.8067852057 100399.027296303 145254.138974889 158139.337464447 168894.024257489 172695.772483631 277096.856615203 73917.6237670802 63944.4775243536 111464.670195122 238033.918070216 412745.346735057 110058.629333667 132432.93426195 134229.821691857 154300.879689397 86658.1300594573 79992.4692919942 70428.1225652069 78200.2474572814 178556.445185267 268818.6993411 67077.5804070714 212835.69563152 171783.652068295 135201.881865871 147208.503238707 142241.060538773 83195.3562757029 193567.257655685 89838.892327292 92419.7426097278 216400.204133175 127513.38325846 89822.7035653799 133406.257892342 208243.5648744 129850.704147909 172816.192610693 72522.6330003769 185063.75749345 305553.329691454 129885.187923409 96974.0570467164 71119.5240244275 195166.610990552 292205.971129659 394978.069266584 154311.250159079 196194.64822712 167133.819261379 124987.111730024 83472.6118937564 290060.039667959 82143.924720838 114179.133484578 207962.484398147 261521.551860664 242872.245602296 343566.967568925 176357.611457121 223750.53903257 144946.81116455 177149.428075338 214873.180392187 212206.986519178 nan nan nan nan 109153.281555261 109981.997234639 54561.3960080847 60513.9535415621 111861.67084991 123311.891478693 207264.944072393 MG(14:0)_rp_a 166276.082374908 nan nan nan nan 281525.79778209 270222.499798983 199318.516118407 212076.209014875 413892.368218496 428260.428429019 644657.747105532 211658.903440257 210974.848744776 151854.574001109 220071.99329695 178017.313301367 189432.40352746 156488.825650687 279589.775472913 321723.662711855 184986.92089083 202432.573555846 607606.199972484 211214.906039032 360092.902964256 187465.286675665 125823.433886262 144739.762657967 149161.796126177 260614.509124114 183053.899265919 225030.023711072 172457.777870945 589989.193315358 195645.050172878 199898.785896914 130674.444702449 269365.968299435 170227.604208966 263723.906517331 282878.891663103 280405.826076264 132366.378312936 283750.109700468 147824.521699519 609755.218668779 207156.090381445 182849.287202301 337317.493157491 215775.871593994 233460.615080291 152114.022418597 169145.459467924 276587.992219023 376439.303112448 248048.965116485 580780.232073324 194439.264620112 198745.651093945 169653.698053118 189861.041164544 218100.848051902 183866.733365377 127687.351045714 308433.092571432 140922.966154212 195573.076065181 407358.174215166 617567.02977444 189653.436952152 246485.249052044 606599.471989768 188768.173359662 184649.670384311 nan nan nan nan 223191.960693044 268249.863904319 210984.92293823 200930.111552814 421117.745994309 421707.35518761 205266.730579369 Car(8:0-OH) 29831.4794151153 nan nan nan nan 6835.22631316227 7996.71459192791 5462.62900461186 6082.26778696239 7711.57126515811 7622.53917980189 62933.3054690382 30531.7645838079 30870.0113265058 21288.2590941548 15484.8810299884 32947.9230061616 20907.3267922247 28321.0267124619 25420.3980683024 24371.822125966 15665.8030374397 37301.3138333141 64655.6302047988 31753.3577365738 8724.68600430028 18332.7499438037 56476.830787 56596.0851620555 35210.5594767317 22709.9281104491 17422.156181578 55659.1634632373 38356.5689405665 63717.8934306778 32829.2443651417 30776.2629975749 14137.6845516725 17094.3779134615 21448.4674340881 34190.1774743459 19787.3433425294 37996.4368529494 18226.9861696213 13529.361853266 35981.0753971271 60801.4623808936 29765.6584639807 54407.9304794513 24205.9087515695 20650.3724992708 25463.1105973357 43145.1349962508 24134.286112573 31539.201315421 21989.8776109582 66315.1632014002 67367.950641083 32047.6593897172 31629.4227645334 19135.4698966946 22257.0521424839 22696.7797270254 30695.7083195496 54263.4127790642 33750.597201719 11910.4208088669 17929.0141275397 19483.3740415987 63171.2064661404 33333.4841276001 5558.80762327353 60261.539551884 29848.924588581 30508.0640195234 nan nan nan nan 8431.06651649166 7385.20072852985 7123.30248425788 7234.26343762675 7092.71716350253 7505.97881540506 29377.7449130277 gamma-glutamyltyrosine 202464.152524611 nan nan nan nan 4457.66449053869 4980.60040432088 8134.86819084274 8409.96764083699 8470.31628413422 8621.92282044051 13801.1348268912 256535.069981267 265720.939249922 394899.497340874 802440.872737976 225449.516820999 160449.622871661 252652.939823482 348594.368340536 356974.87340812 716911.709997328 212515.631468628 15978.5810911034 269275.087938312 289520.580654208 310805.221884199 147034.29371974 116183.079974992 627405.793740434 372701.719243413 232437.782508044 277849.300977521 597147.348065415 15772.9207911586 284514.555139751 285028.967685438 254771.07175522 122971.148081914 86591.3958174285 300413.32216267 183788.331774488 241219.025832644 388032.802021424 90478.0424746137 394757.528441334 17947.7455204295 274526.366478658 131922.67228156 152629.308663221 471501.165287897 476648.214479706 212511.567939049 321643.632853574 126129.20553893 490313.272015211 207640.460711362 16540.806416787 277120.15516377 275378.333967273 283446.090241368 207182.648693229 331156.903579803 332773.736019779 128485.781670754 259624.24595114 86798.5590947944 515722.246749509 197709.539139791 15818.3203788399 276804.402146526 140125.484199818 15909.3561885466 271555.672146432 270311.675364684 nan nan nan nan 5473.81542364898 5480.66980064196 10416.3564132025 9167.32961242165 9058.19148002025 9635.16150988939 270016.071752271 benzylbutylphthalate 1037474.66366621 840487.8746 1057845.596 1287912.264 1131223.219 526565.184156337 730195.469494468 849889.228733455 958376.033054154 1532310.53947266 1594942.01082866 722453.396221412 982214.675382235 971734.096130632 1024222.63391381 1107277.92491671 1042093.90959563 973006.80502476 887209.274312861 939070.439939061 922476.646783164 1269577.79513201 1139272.6305924 716043.848055282 954922.207770661 1259712.50225813 1506977.33379259 1077868.23580875 986616.640725883 924028.219346836 935326.871047167 923048.864369568 1032419.97915178 1028905.233408 689389.896076783 959378.435421166 961176.057111487 996129.390313557 971488.424381522 870671.947858136 1514502.16524674 992894.180172275 1079556.59944888 1042528.4774868 1090436.28442349 920982.756264037 723653.603757194 984677.489169628 1531958.27753444 1150296.58047966 964508.186997531 1004622.56341632 988710.142652739 1178463.49752184 1654764.16077621 1354679.82281127 831703.186915157 686855.516537343 998555.389546082 983817.895833089 983508.863953005 1402283.13746294 906532.83376395 868896.750686336 861669.969241886 1064615.78257888 1322015.45936802 1164341.93203212 1540553.09828331 683346.615551237 997504.189101117 1227759.25915239 774835.631494985 1060437.08121631 1013583.70871512 404625.2699 553672.2184 485025.0394 529568.5283 975165.807798521 1009227.49870588 1197005.6508874 1218831.04724779 2009148.8770317 2046301.59236748 1044322.36378286 Car(10:1) 385335.303979387 nan nan nan nan 225056.227943479 171483.197188246 76490.2565781657 67809.2811145372 94886.6815840693 90135.8181098465 372183.159114794 371543.047373404 378816.807279774 274556.76686955 123643.065203188 481017.707927056 299983.258552891 458616.118933431 335214.594539468 386024.962942124 289399.532117347 487914.644643684 358564.201988877 369528.108065304 179816.77683957 199148.446585906 1048897.48506229 1419643.59731823 393953.288050885 451157.49504426 330620.045431159 425452.62186388 367628.04201197 349393.189201643 368872.405680393 371738.198530698 213096.506320104 200335.516456746 344262.593237134 334739.076359193 177249.502262197 302724.790603624 271617.338230971 173409.171469373 334875.11954092 345023.592937369 366904.266850871 373661.958598533 294025.134591454 162130.02228395 302546.145905367 348830.700582271 91734.8436325666 348969.389333837 154075.36273087 204185.407326879 342973.331341712 365017.491456564 358566.983245513 169262.138480491 273386.511425028 411855.224506573 325160.117925553 759717.983764488 399391.644245712 121003.250266038 116887.47097585 160456.508455465 343477.152613816 366243.652287547 107909.13679388 327191.394058186 356990.845429356 355900.83989164 nan nan nan nan 138084.672662177 135771.686736902 68159.9494712533 67098.7348423821 86876.8475098905 85240.1750951671 369811.143586358 Car(10:0) 998592.543011461 nan nan nan nan 492426.923584261 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1466267.01762528 301788.09956317 621380.486091189 622028.384573318 1090979.18380172 944079.538054719 315652.661141493 1075589.56830944 916883.608134335 939859.525980062 nan nan nan nan 305765.512401284 299684.718212246 296648.246506361 289222.071579288 375519.142695671 373326.855828228 952494.684435354 Car(11:0) 13307.8638233456 nan nan nan nan 2696.11578805319 2489.18175791214 5972.16127839806 7466.28432025453 7512.30892579675 10710.9801022265 14019.7365437756 17763.508037667 11355.5057845945 9710.20429222042 12045.8420712772 11878.2475251005 9396.68395261664 12266.9350183659 16320.6984357361 9682.66577640036 7831.20938713926 14896.2241898411 23588.3194401216 13977.6366358374 6235.86126836395 5379.95079260721 29528.7611519614 39512.4001783664 12739.1960870902 18742.3312470362 11512.7239308443 21235.6155206098 15284.5023097288 21935.0229679482 13670.3311285706 15940.5651572806 6010.74473016036 6691.8775192534 11278.792665388 13852.1096474974 11397.3109930935 15728.7927759311 10031.801699278 16217.2901597089 10408.5012678785 11625.6671209777 14445.5199402429 14344.4832248737 13509.9372554689 9199.7887766233 15521.1759325819 16375.9991580803 10920.3020469643 14576.1443348263 10757.1268069798 25671.7754190534 16580.3427102562 14579.9554868921 15809.2892789932 8156.90260803797 8362.98989571031 17141.5969121565 7837.27351945872 21447.4313084387 18879.5744396625 9075.55605600789 13928.7573709437 9778.44836633611 20531.9222813047 16047.913604537 5267.69459865776 15720.7861813578 15079.9889268573 15448.2134396487 nan nan nan nan 10319.0138581818 6243.46997621711 2892.01127941499 8192.02374245257 9067.31011613422 10247.5345088378 15295.4800305714 MG(16:0) 2161085.38681525 782453.4052 811460.1986 934532.3271 941717.0809 7920397.42807191 6746706.20164598 3386533.78456944 3529082.09281696 4937895.62342761 4962808.31363104 7711459.1457886 2775274.25468559 2759590.11750647 1394656.40725622 1906702.92672053 1787579.88318345 2285586.85973329 2597497.94704391 3061212.30653016 5820181.33505328 2267108.55866476 1690523.91790701 6346555.06973881 2410997.12768471 3327550.72263508 3288464.97200339 1956762.73652118 1947298.05800568 1529226.34638988 2580502.58405256 1846360.56132853 1999382.71640099 1562986.35154818 6577498.5931006 2334730.74455959 2301949.82637166 1050722.52946418 2254837.74270654 2249631.39626312 3159467.88227432 2445204.02288732 2488612.70405201 1441338.38576051 2886156.87236308 1266215.43869179 7090334.60780493 2529928.19966354 2411079.66819293 5372536.8717797 1809162.29821365 1674518.85924925 1370613.3295586 1297623.23129541 2682631.41663431 2316308.79964892 3319076.55561863 6572604.63195386 2347753.88551554 2438975.59603324 1592413.52458325 2444294.27733861 2425931.83146874 2514360.15364848 1630485.64088957 2018608.45648819 2552376.08014602 1776040.33386756 3879698.9219047 6337510.55849779 2341529.17721464 2688163.96797001 6297879.20251121 2506142.41242919 2422184.47874031 582706.6082 541746.4039 607538.5769 662548.5937 5213263.11165318 5334500.15089209 3241399.95773594 3264571.23679229 4730640.99180975 4727252.48676331 2937364.86452807 Car(10:0-OH) 79521.5098855818 nan nan nan nan 16196.761087909 16265.1876109688 11506.2531537485 10808.1027468629 11090.9180932593 10362.4936370808 134134.677009259 71049.2300550806 76320.8485874904 55222.3444847064 58005.16322864 145026.000213398 82914.2664308722 83928.0250698325 68012.8210611453 104287.758521422 53934.3928496391 82439.7091588746 139861.800329199 77509.1360670913 39238.9855182372 53199.7399634696 121511.906355932 134461.576398941 69257.1514820607 60935.398322039 106126.62886626 120414.266679645 98888.0570557568 139362.311430666 77846.9207218005 77598.0220665943 75494.3954998304 43498.1149319019 88159.4513102078 70593.6182830803 55095.9754839792 124368.906524121 81680.3238789378 37953.7353759111 65465.6733553782 139156.868360501 76528.5023143526 92730.3491243501 91335.2101655034 46304.7280708452 64831.7467171891 92927.4317305841 49360.9142526812 76663.4836287393 60381.6638907894 59644.2586419978 135123.359811748 75869.8169271787 77803.9079682493 78650.5450507549 66568.1761249339 52550.6656810795 109637.777013207 89755.8372478452 90267.4239843877 27163.4539799744 61920.8944915965 51192.0930995289 130254.826485734 73777.1300295719 26380.9997933275 130528.491247545 75151.6969616551 73904.0047384607 nan nan nan nan 13880.8695298444 14591.7618982965 9210.33775296205 10333.0756966974 9667.48826800316 9705.11613149325 82840.7779067545 Car(12:1) 327475.025202001 nan nan nan nan 32545.5280592579 58275.9480187669 34541.6438501455 35173.1086103871 84359.2918468189 83301.9496018345 341019.479198288 337498.224736687 338756.072103524 203207.120740834 210141.99626729 336123.096143474 241718.614290509 238775.881601739 428622.897095076 231271.367228075 159902.095974512 479010.156621431 334628.221633965 329483.691226786 115933.712221043 148393.750020718 781295.029094915 1333162.81417007 342556.9091428 415265.002422062 277838.821864949 648218.571182662 377229.495206592 324997.848491448 335114.370476974 328805.075879327 142470.686005357 170311.013906494 203495.576939036 263013.80706721 241267.752726646 450981.785402379 174173.880564495 130787.158806561 273689.577358324 330754.744987116 327023.717356765 493827.333773467 297174.246151279 216339.454570476 214464.042073403 472828.89104831 113644.572257086 350476.763180694 167519.587464912 365225.938788599 314809.011708914 322678.954682445 341586.621121196 146169.982516253 174533.078521056 442451.095160165 161726.14730542 525847.443367685 478720.801822305 85433.0079905509 173798.985511669 147908.090152353 316653.368430016 328350.737532804 91740.2639465773 323021.829030035 325024.480932252 321286.182243064 nan nan nan nan 65441.2385130952 65318.6741681566 35583.6059103447 33778.1780471083 82816.9526166734 77647.8835338067 336791.958033156 Car(12:0) 2305518.20787454 nan nan nan nan 615197.139730718 575383.08599738 342721.01739357 328242.645568141 723754.680254892 747096.561059722 2926508.44453852 2383968.96704712 2427057.34328768 2328519.61521183 2341263.88725874 2484400.29377819 2084988.67342978 2065279.3746132 3439038.93420999 1875786.20446604 1796712.80929806 3148762.5084776 2876568.70362935 2355327.48047994 1243788.33958659 1278783.28088957 3998733.29653327 5770858.10466148 2711602.01932039 3647701.36351159 2429126.43473993 3624309.28104152 3243292.57635639 2830717.14060859 2376087.17397714 2358658.89011162 1414617.81725038 1711565.45222768 1777377.21965538 2304710.39243907 2129884.14413557 3027276.74345989 1725576.24476594 1649159.57352764 2046323.35842613 2879198.64758581 2352937.91684974 2287866.71301376 2420464.06191447 2041154.77607634 2237538.56820813 2745663.3941592 1060403.7231773 2498183.76012636 1924254.43223353 3979778.35366553 2802172.08014105 2333430.42824622 2368871.43511605 1540637.88605726 1377101.60400777 3189063.70747924 1672035.11746208 2726527.46223804 3451558.60262533 1055927.93316412 1986723.38108951 1836050.80291853 2743287.71352968 2337607.4426876 929529.847478273 2749699.44246072 2345536.19633724 2329849.42643206 nan nan nan nan 551718.60047509 553820.897177905 330357.142025159 324905.741014609 706565.136607568 709547.965431686 2346940.68657123 MG(18:1)_rp_b 964168.9677954 36866.3031 31986.44835 33140.85626 35042.36433 2565780.82874293 2721671.9015892 2538610.50127986 2785082.01839057 1609057.45644305 1628969.43507657 7466802.9178691 1364273.62669703 1378967.43375994 666680.347898155 624746.801733818 854253.405280128 574569.985353925 483471.353871594 1371800.22353727 1547658.94701599 576845.037407113 1187340.15289183 5967662.82320986 1196425.69942619 1492965.55590638 776948.774824377 255760.659914553 374699.519130303 694393.27411735 1219112.61974466 605751.647528044 1045007.69442397 510079.404602563 6476132.01233401 1188089.44003262 1194170.64137985 324238.985857478 1160928.90325619 1083770.93902316 992563.854093508 1663278.54243193 1682392.96639929 459994.573628652 3556388.163873 657596.093803957 7142213.98734258 1171585.61018415 464204.631901819 2725235.04786021 1136605.897612 1307152.32921742 473287.74182486 439738.232303668 1456215.81502226 2137955.91685565 3412537.44403432 5866174.07930448 1117003.80134376 1149161.54447741 555211.384614262 524262.005735552 1065477.88017088 362559.357973056 358941.383252023 1863829.24350163 3763201.17540901 845929.703619667 2918514.58161366 5748590.93731018 1207768.15319625 960370.875756023 5671555.64441263 1225558.61439753 1178466.9347339 26603.01387 19727.88697 22693.72899 18910.21602 3056887.46463467 3122276.1220446 2597176.56657957 2737897.99671294 1735183.22924598 1768356.36520941 1479539.52543787 MG(18:1)_rp_a_b 1441694.41701151 64993.1296 51213.27948 53043.72444 44029.19766 3355276.8613552 3567986.89840027 3483855.20215608 3800143.99088188 1969605.96167949 1989513.6528003 7678741.77316452 1761128.70101108 1795668.27994956 1015738.18649911 820284.686660235 1074739.01133359 756271.992233388 682818.785574202 2030662.41684003 2526364.43003695 831418.448207582 1694802.99321739 6137133.17248556 1565456.84849559 1905438.74744623 1023553.22244047 396135.553702912 556549.936562384 1115411.21542293 1510657.79970867 840750.456656152 1438667.82351419 639377.179200813 6667471.75570803 1524454.55052101 1531579.6482176 484068.31695587 1643610.89571166 1476546.81990005 1310122.5201776 2174735.28819342 2385198.61493733 685469.212891459 4430580.48599674 967517.377904656 7371441.64617568 1540007.92201921 657503.790146466 3324941.73410075 1740681.83839976 1920143.17539942 686997.772793268 587410.840520701 2087604.40664365 2981100.57607056 4658273.34002859 6060544.19084923 1452466.33375491 1502226.98125975 741636.334644786 731947.241949131 1626913.52960171 575598.766678281 552569.274460919 2476371.78903014 4925512.7977283 1117518.56574628 3434995.1041546 5984882.87996267 1594735.21104495 1481460.67032294 5900613.7993889 1645330.90728747 1576968.72793457 52702.75162 44054.84083 46648.73925 48055.52954 3895394.76856231 3995541.62291533 3628040.00908118 3811101.35337346 2132400.66469779 2171982.81799293 1935904.21675442 GMP 731809.15154368 nan nan nan nan 111435.003074855 109726.815601079 167270.424889623 171656.999749554 280465.666258119 267236.549738524 259537.445341818 697581.134436481 739508.819241387 1028780.02864175 1732928.47116784 1023182.81913317 1309093.29202236 1034774.02867069 911376.615937916 1315576.52952475 1394779.81765332 861562.314388265 259766.090878443 692146.396547412 1330990.82809929 927685.379882226 486644.508204383 502178.411465408 722957.144653388 1637731.18163454 1340756.54091006 1244946.6017471 1036281.42117393 269154.136067277 762374.857932663 780322.340767976 1443820.17329856 1063740.70727765 1385778.07349398 1235755.72652841 1001536.19347673 1105271.04183341 1563858.42859595 1226213.96257923 542506.164525396 273909.93232885 742315.10481747 776306.482578781 1391902.49860542 1239136.37592898 1285461.58586578 1038795.01594245 1465281.18422396 1016028.06162648 1264075.89279301 723743.074584753 276806.260293344 738758.714845208 794001.612745751 1281540.17435102 1071280.57187315 1018181.23362212 1788138.34590699 467864.790211715 1241589.05537155 1221612.05924527 1971369.95934812 1390167.43499944 284607.39111603 750530.017061831 966995.761333283 288362.973910084 777741.498345471 763288.882190833 nan nan nan nan 133926.228419204 136890.592267605 220143.799141731 226828.534036173 353165.618752688 319090.795260715 800387.644405217 Car(14:2) 1076605.63564134 nan nan nan nan 271571.621369491 242117.407754907 113385.829374176 109528.935239354 167668.691002949 160837.040154628 804732.84641705 1063702.01691326 1045349.86602498 691507.220508038 605459.592471007 912645.692129402 618966.890449676 1030694.81160791 1307089.87498019 875858.042630628 610967.058031091 1545614.34362494 778670.067757902 1046625.36699761 418356.87398012 456614.247242499 2473905.33309895 4006518.03243777 1196994.56520895 1226948.1421224 819257.846211266 1483689.42617958 1175918.64884189 781854.508698156 1039383.77428368 1053845.50827206 466070.018048722 588172.650698669 645176.17148284 792771.054606335 808512.74276517 1150363.91561479 681035.91860945 422679.014463198 871153.643360431 764805.806807349 1047411.86601082 1213428.60485758 857033.878831023 664926.058709536 799150.495791379 1527899.75677929 352278.032022661 1131975.03320866 527888.020465493 966615.66139778 745108.182705633 1045377.06001722 1046964.80937644 514252.467818734 536300.549800605 1467605.1743086 686877.412210115 1744898.91579652 1559356.83054453 385623.604037131 482370.803665643 533403.424699654 749811.850227119 1016738.07529422 269595.577683594 749177.096797389 1033616.60608952 1028965.3298089 nan nan nan nan 222180.625348457 222773.110375543 111149.359118107 108748.824806274 161202.437278001 156623.729832332 1037825.36902814 cholesterol (-H2O) 635708.782550029 nan nan nan nan 525715.241851527 531720.252783194 498756.38826437 513053.39983704 464986.713104924 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10119734.5780022 sphingosine-1P (C18) 220276.370324866 nan nan nan nan 109416.750584384 106699.64305946 89884.8767510722 100146.347313107 103461.782050994 106772.189766313 349969.639457257 351702.131427276 345872.158303409 469935.847166361 239183.797158182 190986.657479329 230332.816780848 331230.914164543 301103.256971736 275800.366109256 319723.280443656 391612.84575959 292849.869760226 310029.338064196 127517.09746027 233921.760722605 271710.192734433 238280.29312618 448164.082525381 384461.551680449 222814.686892035 262315.635639652 305723.024872653 264832.203441933 286734.10221654 284072.985461366 223486.082514955 378408.051285801 221967.815479359 396195.122901352 361422.019733435 303352.971949918 225105.879612465 210500.763879679 266905.12396 274057.567620421 266266.229767655 208713.736314593 266811.45050006 360148.37782734 317067.00787656 243546.862848601 267978.521355383 294966.310059943 270153.073027935 206866.62706277 224931.080441055 270972.784057946 262440.462766384 319042.250212501 259627.58769221 393049.096686121 264644.889689722 296723.866346905 321641.022147126 199999.698268574 244197.11166338 155546.575770161 216574.373568928 222559.644859589 135130.157018907 222562.309980741 235083.290640609 228073.575465585 nan nan nan nan 68471.3329746427 80582.8968378265 85683.4190705057 78343.454486424 65710.4766072453 71848.3210420564 269020.376429464 bis(2-ethylhexyl)phthalate 292467.778611655 nan nan 155184.4311 94708.32734 2004374.47006698 501656.815845781 365393.256944958 433977.631021652 282398.984614555 318269.501767597 280597.165290361 422791.149938806 449377.643214681 171981.524595276 350006.345522301 298554.498913887 298570.301688491 155481.380285737 275979.490931901 216849.68266874 147882.979309032 135647.907148673 108671.770063822 301008.320795477 243601.045613168 148906.363255756 130212.544048815 234691.611354719 99880.9900759694 202919.188785253 196713.814457791 241939.107543207 185313.844939128 122959.760632394 263110.974283295 259072.859500806 194566.71369331 210601.295107992 176612.734712707 412538.242892717 272156.240943713 176227.265801102 478044.321939082 204464.393945096 112389.930942106 129527.147714679 277706.146579152 224776.675954664 331660.499585623 177579.749402419 184228.833315476 108202.970154419 141968.99723898 285226.513536785 358303.995618623 287005.60915318 87678.3283350612 232592.134683907 244810.564374515 164593.565138062 227943.573544889 137415.828470259 98789.4662933244 94706.6423739325 228717.446145576 269014.567570042 146060.212392041 275415.389233547 81651.2367856176 217256.274681717 187493.176918029 104509.259697441 264499.363622281 256604.822474377 446111.8395 77553.00063 nan nan 233948.204491892 208722.21364937 196755.954437445 222823.353754451 223451.210465839 234172.064483893 326037.134557871 deoxycholate 31010.7576885103 7240.555969 3197.37043 3701.177055 5065.254365 13092.3600989553 14698.8202640221 37203.0396703111 38006.406689667 153659.276880657 159765.853047447 35684.043040246 35173.2131876841 29463.2778326339 17680.3984919299 28144.8334912871 8379.45037722317 8180.83972395561 11501.0481002978 5153.12654318511 5903.00142523954 4714.04812632228 49992.8554534479 35465.7524066811 32030.4459546038 6586.20987224378 45852.4648344524 3350.74544235559 8192.70153281966 177876.95038238 46840.0521454532 3519.03846159373 12010.2996867829 10114.1175545296 32165.687782408 35990.0269426899 32450.9566709245 4979.2460028753 11005.2086851568 9157.94623477586 84534.6062396668 82838.6865590536 52533.7011197268 4581.08068101846 6673.79861745541 38106.391418992 40374.3180542442 27997.793883995 7166.01437570285 19473.7163729113 5179.71144359544 66640.9497199415 7277.02781939242 10884.3432939101 11041.3652532292 11364.7533767464 41071.7107254583 36404.2995637153 33510.6288848193 30814.335836595 10768.7174632963 12626.8159818459 6641.7967987345 8256.69659011838 6274.76119225997 28467.3672601028 16668.82844209 8145.13455514588 12177.4660301302 33784.784074374 27050.7423347732 22040.1048259567 34752.1231563009 31505.4299175641 30272.6075523668 3347.046969 5113.528646 3829.331639 2701.482204 19725.8758785998 23193.8873701063 41482.0685345421 45804.4953723138 183170.175808289 190239.294198838 31436.6285708287 Car(16:3) 271740.638494442 nan nan nan nan 108795.461970099 142964.759681545 70474.7273379991 73848.4474565554 103296.920960064 103403.703795223 195423.721094792 294276.333947802 287557.304648338 257157.161354879 155095.333909902 680359.846136997 327639.676634909 316772.899565076 192795.58042312 475036.523896162 243979.851764344 272515.169322345 195824.770073138 271731.489656133 313787.400447378 186816.369663149 325299.044955842 383695.205398308 264701.625078874 304640.969280273 443783.574652213 229592.128215754 295000.342897818 204155.975171793 278083.575498099 278292.974503029 334016.636849175 227236.979098375 648666.807318984 347986.230077065 155396.224825673 402173.784353561 296976.595575184 352165.307883129 179122.62245118 204788.089644634 278839.88802107 216935.077374901 700159.377463814 163562.976174429 279860.962877562 287035.384122899 156729.810222395 259767.777989862 151484.783612279 201543.410942247 203842.225613191 281266.657616277 275468.768711657 255409.006804178 205260.856248199 296474.192731061 370506.99405878 266731.06078918 265852.85134699 410663.03313916 173760.035413281 181888.835015772 214793.972913865 286783.852632189 126192.037685529 209354.26433249 293308.687231469 287030.27791139 nan nan nan nan 166802.769778301 171693.954382758 75435.7411520861 83816.5042759943 128396.399541705 123578.786028069 287299.682637868 Car(16:2) 2791058.59149406 nan nan nan nan 401866.35850347 427246.41561886 178498.14139746 181451.526756038 375793.813917016 373138.910947888 2788529.78684911 2932150.26219792 2963866.3124172 2058562.37323234 1526872.69834542 2551892.13766641 1794110.82323059 2794002.67520169 3640525.11899577 2532593.49085415 1953013.97782596 4465835.03176755 2710744.79628373 2889946.5383955 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93989.2462929477 81404.6336360461 91591.135079366 92976.5061045866 101820.502769001 111638.069052349 380317.399887185 LPC(14:0) 1404837.23217941 nan nan nan nan 332592.175611943 420690.467557688 705225.195181643 765912.872193305 530616.950450254 540039.546477766 1504964.35912563 1464432.21534065 1497374.28857006 1603554.53889584 2280353.55698111 1388418.91903045 1599415.58348057 1478400.24731905 1562826.59528815 1192623.81487367 1000974.40394787 1271644.25002192 1395006.28086211 1325824.02066011 2441821.6431996 643123.472269964 840697.275440765 768266.62643906 930060.232572433 2438949.81444603 1703267.81983629 1976930.14502983 1405965.31005022 1371758.32174356 1360581.76256039 1383330.0135146 1714286.60772033 1648969.13214591 2167636.41073829 1451543.11004311 1615274.00145852 1655509.49843017 1446612.50218144 2307765.69935193 1128052.41209275 1568323.90683566 1325991.95212468 729271.535608122 2978360.39138394 1584372.88242721 1527856.53014582 978575.098579186 2535228.26027185 1198456.15578548 1527533.40339064 2007259.5418072 1335316.49643932 1367008.41325959 1398948.03654273 929214.502347003 979785.888236404 1643429.1556934 1962353.43100687 1018878.25812118 1674083.10714239 3353705.03592972 1230167.27809537 2546036.53133058 1356730.34800917 1378962.412402 602179.045584075 1359239.26878164 1377084.75082599 1370820.68285987 nan nan nan nan 484127.107015118 504295.839522201 754626.054828665 766540.080592249 501396.935796753 524826.351359344 1415905.28388652 LPE(18:2)_rp_b 1238434.18766606 9123.752577 4720.596893 4694.072845 5217.440052 152560.123592203 161041.27947161 199330.317477849 206340.35049284 247294.618590621 251446.227278915 423077.478088888 1168004.09002766 1214815.79102999 1010150.94441724 1767801.63283458 1303301.54672262 1363259.1934462 1386352.60781511 1553985.73471913 1465348.82917472 1300779.35628791 1149064.65797936 414789.400857173 1151289.09243931 1698109.46990794 1046572.98720791 714963.680995537 1056340.41274659 1213252.91731515 1594644.52397348 1231848.830071 1841561.90716253 1137119.50531925 412368.550025495 1218098.65040504 1273764.8093493 1519073.44087341 1517348.96998679 1134369.63542761 1229069.3549976 1414838.27811887 1452056.28836841 1454690.85979531 1124325.16654921 1187104.3769518 408392.89955274 1208016.41207383 871551.11598159 1288380.13981869 1422828.82030787 1530631.27617534 1072688.15575081 1739446.23462416 1558580.29040692 1628406.34352775 541689.884725918 421950.479937738 1218367.27385304 1297496.98228191 1483454.93769627 1218930.62381527 1514225.40585406 1715297.26740175 1140201.60232699 1775151.65282271 1123150.62894473 1466926.7285894 1618085.43563639 420801.079838506 1188278.6083238 928611.394466151 417557.786130788 1262427.73378504 1216598.80437087 16462.33965 10176.13493 8060.791437 9205.125585 207811.458673303 229399.124079555 242724.88605986 260163.011101062 289095.150658719 275308.35408098 1362610.28927266 LPC(15:0)_rp_a 1119588.17371938 nan nan nan nan 1279992.37827793 1173148.64679192 1185343.92156857 1194088.7487347 2514478.51825653 2511069.75860447 1197716.19734384 1173097.05131931 1156029.27965652 1251985.7262267 1194211.98083527 1014484.21334837 1404385.3834185 1154735.09916412 1063194.64366945 1688080.80528086 1070340.49947894 1051449.4330267 1133965.79939294 1119229.34745414 1301375.04449351 789068.361939603 797005.774102614 788131.257173155 953611.707544355 1444941.61488206 1180000.34198991 1066523.59604742 1253994.29732373 1082529.28709306 1132421.3454321 1133457.12782126 1063046.30321748 1080288.11148162 1626788.08185588 1118086.84354106 1351640.04650272 1130167.5903906 1155207.46942259 1651368.61710392 989586.750569134 1168400.69566716 1145592.20910288 718483.564133728 2445231.79327126 1076873.86557 1104825.49191984 1100623.50988018 1152846.78559876 927198.372641196 1129793.7590386 2892108.74986915 1089597.75625817 1149271.74371956 1159866.8082203 939257.218639991 950763.616955554 1193628.33727227 1197942.79765353 952914.182851107 1241751.83991079 1701937.62429596 935553.184501908 1249912.97041932 1003123.69218532 1022462.01842297 629102.156072521 1011947.50572092 1006053.64698278 1026876.45215368 nan nan nan nan 938570.39304663 939379.236853155 1023304.07795383 1023630.45530336 2260130.08047373 2304946.87262973 1110165.02618974 LPE(18:0)_rp_b 1946991.72023137 68333.36715 24993.85062 10949.36665 10449.58462 843843.821961076 897887.830631644 989971.674083945 1032144.34500944 1006615.0440896 987800.099749508 489881.059765333 1803490.59549964 1915723.41044067 1535042.05818171 2117545.91828351 1723841.05642725 1752521.43379324 2289547.60913316 1971588.09046529 2259301.1449507 2102931.32469021 1734267.21799322 465561.541007372 1671402.65737908 2142310.93408556 2204100.72630441 1631908.47385314 2353753.56623667 1946030.77707773 1527204.22919214 1589445.8393259 2129512.78197879 1389958.09740803 455004.71381714 1824789.61520277 1849286.09240279 2148141.4068025 1877680.44174414 1525343.98161621 1672140.93411527 1547126.15538535 1859851.20120266 2049331.66724279 1586912.76820004 1678884.73790809 450810.946147865 1699963.65980415 1553368.68443071 1642485.5935794 1773727.94235466 1696291.03420405 1572201.61522376 2000091.12501557 1839158.1695614 1827524.09391239 941141.744707262 448243.755784291 1637619.69049139 1761213.82383886 1764857.40116651 1986772.94500702 1802473.31446261 2292460.63411981 1878339.74634757 1631541.33015855 1762445.9006319 1358438.47987796 1865463.15196887 420198.171041913 1462384.95188991 1858149.77954677 404277.360470085 1524436.48216913 1494562.159421 25301.31388 21520.52894 14127.84462 15169.1442 832226.347830245 887378.604691268 895958.890295374 937038.173308623 862347.12512002 845142.152136879 1585899.40577305 LPC(16:1)_rp_a_b 3320174.66396284 nan nan nan nan 939908.910735634 1135025.45227967 2654465.93120659 2864738.95109984 1579782.39774929 1633715.90792861 4760159.63080588 3485219.32072452 3589561.36738081 2981283.98731584 7349365.88490255 3205308.79825807 3169244.34592616 2831088.99710303 3963070.98512127 2195311.8541975 1892448.65504781 2937169.86632256 4366609.22880527 3167078.53440403 4647853.74867784 1866786.41430389 1989643.94709587 1743737.5778548 2214067.173217 7060781.08406731 3791274.91682663 5671928.75283137 3037792.92001178 4369920.15738968 3182418.99016956 3210767.7236941 3554822.84402041 3630231.11932167 3289759.37512378 2930844.84007914 3014635.4168341 3569031.29411269 2646022.9889341 4291341.75881162 2884418.77950049 4967666.09282122 3096235.39638478 1964879.48029789 6017019.66707143 3975363.31090224 4081335.62051526 2038548.23306517 5146675.55531859 2717246.06586678 4694955.16367396 4693930.14892853 4258480.20979507 3197715.15247964 3295059.60813457 2215043.31415684 2176027.20609528 3779329.27528368 3652023.16613243 2045659.983191 3694251.52097532 6143511.77467987 3855010.76484468 5839648.26967971 4369507.71723131 3290728.58928198 1104332.0901403 4371906.90848259 3314143.73635114 3297090.39228478 nan nan nan nan 1179569.16759658 1226853.63951319 2764313.04149243 2830128.84116439 1532781.89625438 1606442.98906603 3467484.36939857 LPC(16:0)_a_b 67066496.8969795 234616.6878 114701.5353 80468.78515 85721.59637 66167908.0313006 55409379.0221302 51001330.4918807 49726149.6689591 53890452.3389584 53702956.165079 68777196.5773408 61129868.8150769 60831659.492743 64007322.3726436 67249886.8344688 55976750.2532952 62215027.597648 60919470.3908633 64612628.4449519 81019665.5372245 58914450.1629956 62277660.8654851 65389530.6733222 60522219.1214228 59917050.7694782 52100298.2212148 57844733.9288853 61072874.0437988 62341035.4150344 69919680.7199851 57482806.5653592 65558778.0164507 65409182.5165025 63313249.1717476 61335434.0302192 61487144.6964734 58069733.3231978 61197341.2589579 66866021.4843371 60784709.8786522 64399752.3365893 65585368.4903919 61623500.2014703 67197925.5271761 61967836.6545381 70302385.6364967 63422368.7468188 52677525.4258942 76963019.2122542 66850653.4030233 65465227.7662217 62953707.2431779 58532115.4209802 62169073.7925853 65152420.5051948 129121448.047895 64399648.9543157 63036776.7909763 63858837.7952787 51780536.8043011 52791977.4902767 74551199.9361166 62544253.047061 59325538.5143268 67200401.6045016 60047252.0835779 57745318.9089435 57746995.5314537 58327648.844542 55984261.333457 39775915.9009472 58369020.0915325 55791439.5011195 56414211.205927 1554277.466 1091019.677 602454.04 622333.1158 43305996.5449843 42185318.0396274 42979504.0257625 42752683.7947379 47063307.994376 46988960.6580792 55949330.450369 LPC(16:0)_rp_b 35654297.5568719 199743.8229 100706.3744 70510.26042 76313.54874 57737082.3295843 47850832.4678975 45489992.2925424 43339670.080176 44724389.4087539 44607594.9757906 55651072.9735812 44692591.3526878 44858917.4882271 49543576.5726341 53922307.6353244 46896028.3983573 54772307.970509 46515778.5828711 45712517.4525505 48125830.0542823 44954681.8017475 47148602.5104474 52154405.6898586 42570502.0132486 45154654.7664376 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39128599.9198472 39350154.7878176 96473.71329 52844.77206 42617.19865 41862.5473 27014009.764995 27746120.3529131 29658543.0429863 30667536.8615627 16951759.4870477 17306380.8476779 36682554.7238696 LPC(20:4)_rp_b 19007500.9208868 30055.26471 12689.15623 14391.5004 11388.84493 22090540.0818297 19210587.7189715 16341185.2728701 16275889.3405523 20466789.9462208 20375962.4976475 24697690.9577893 18703262.1770984 18701042.8915938 21139497.9809178 18521875.7395562 17414331.4415916 16365610.4708705 19021515.1981422 19182243.4784925 23536161.1105189 18568424.4470089 19453486.4476223 23379274.3614129 18599859.3592025 13241917.8532669 18618987.9280972 17607150.9289044 17408927.6577837 21758028.5447846 20195667.0540263 16527706.7724695 15288231.8962084 21292073.8167296 23069172.1731646 19220804.868871 18861099.2773894 15650830.5796683 17039171.2478634 16149561.147244 18631805.8812964 20046268.2037392 17333194.7975633 16519008.1700324 17105390.863538 20527460.3410243 25214573.8947881 19408948.6838376 18730710.0776785 19258135.0941862 20650633.2037699 21849849.3895575 20967994.0148725 15613342.4840694 18498341.5510524 21033750.2278505 40751600.2256648 23243465.3520454 19257481.9700828 19452157.3841885 18825818.8587634 15193435.0840257 21052659.6816051 15266515.7713764 19713052.2032344 19696240.7931598 14263404.6140355 18302926.1162849 14435464.565082 21037627.9434635 17121497.577469 9675306.73428858 21103958.699946 17032947.509851 17238894.9211293 68483.91905 37403.24651 25446.14897 26145.36702 15623562.1989836 15235386.9592353 13938509.2110891 14013837.0735768 17586570.1128894 17695972.3821228 16745849.6427955 LPC(20:3)_rp_b 11828036.8066529 90771.23594 28538.21021 18178.6223 21119.79456 17026451.9615075 18462637.0027026 16080023.962195 16544635.6569571 10318538.0289052 10461848.811596 18237414.441546 17539159.2910302 16651202.3917436 18725248.0060289 20291121.5222924 13471530.4549258 15492427.6886167 15918599.774761 18766908.0609743 14859974.7639175 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19105124.0936461 19640347.3636007 11592461.7335852 11979239.9980421 16475622.7824561 LPC(20:3)_rp_a_b 16095334.6558669 90771.23594 29531.86056 43091.90021 30800.07812 20502040.1573467 21737278.0000059 18716043.9262098 19444486.3293885 13149210.4107523 13321124.3243764 28552490.1612259 26443715.0942128 27090236.4950443 29982102.4606684 32249881.2922917 20178267.5738496 23292350.6538993 23754695.77231 28799161.4557451 21935409.6687067 23091056.8313832 24456785.5738659 25168031.6738281 24256371.5597856 22276000.6049666 23538126.3398111 19290342.2287624 21694137.3684451 27151949.2133089 34037428.2371255 20723758.0455773 26986143.8432344 26022919.3026663 26626707.2402985 23726759.3525646 24244373.4256299 19884968.0487678 24423018.3084851 21478235.6814073 25592727.1092049 25914802.3061123 23219221.6451053 21237841.5527948 21901646.5960456 24250782.680327 30098598.4146594 23300053.580668 18533977.5489004 23091026.7935903 31632599.2043959 25097046.8352354 19842998.5990459 18792679.1830638 26543424.75504 28412882.2722037 31747734.9364084 26796931.9479012 23858531.6172422 24659967.0729901 23545729.2747705 21669885.7284473 27676400.8159523 22170885.6208553 22083976.6460104 30397864.1180568 29435194.9369133 30246543.6441362 34191091.8336867 29064153.5250578 27457803.5975647 19342032.7453015 28755567.4595002 27795558.1078409 27079700.023628 274197.2339 189697.4295 120635.6312 129228.6618 25335124.5492052 26131123.0315655 22569196.3293796 23347280.7127031 15956394.0470055 16110874.5869398 32367596.0092392 LPC(20:0)_rp_a 751678.841193303 nan nan nan nan 1338577.49508704 1281037.3224305 1127393.46929429 1343265.85323492 1501406.40606803 1492018.47517694 408211.316343477 1594236.55506145 1664852.65694061 1627774.97124823 1596688.83189925 912974.664352645 1038911.98567732 1214848.14240347 1487197.65922477 910482.228004787 1028221.3035871 1102474.94068552 285372.696144296 1180876.12615061 812335.017605517 919753.616830628 685628.715889006 1012653.73685985 1006401.38269729 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1388379.03272796 923108.114402408 526015.640341219 494971.645717882 335119.303171643 1066012.07779921 716960.932623326 621421.627216622 nan nan nan nan 564131.354220675 758058.841884256 780544.147240388 822405.9753036 3892714.53863836 3401380.55891658 866622.101145339 DG(32:0) 1753004.04913816 nan nan nan nan 1728848.03057266 4946631.55468556 5297772.74129928 3416846.21523807 5714485.28795431 6001097.52004075 3500627.17047678 1082195.58108736 1024692.00242382 2713080.34291289 2577225.80510552 1932164.55072162 1580792.32624391 346706.55748762 335047.817264585 219271.149245171 322713.758984088 1222338.3566006 1109821.56258763 603873.279676073 262264.950630647 203204.005039627 236523.941298175 286468.410137142 226513.208311308 246057.869985192 171199.974619308 536986.812327361 233375.428483587 344035.664926338 316747.979736842 317898.43948474 551783.79411735 624394.119712379 492472.461058654 670029.99202913 733927.688273134 457035.204152893 432690.977721252 839140.636150278 1095471.12728549 865599.837680338 1752787.44222568 1110337.10668707 497045.289175504 1046467.07063503 745397.01610313 514097.411084013 521657.671462939 839252.808660909 534263.402217251 528290.138250368 734273.539063026 869640.50586417 661134.475052006 454009.534538099 579375.117825234 885076.016540749 375798.708504697 527773.441394055 597164.9823588 604835.363330255 736625.7217152 577127.411644935 719043.200434164 1123220.17910576 320694.352153895 974088.097458739 1139448.59794395 1222617.15546175 nan nan nan nan 1186632.03688865 988760.301044353 708973.926648717 1800904.28926403 4966102.96040366 3304247.45817794 2968036.19777639 DG(34:2) 13083027.5913829 nan nan nan nan 16179105.3415328 34780515.9846466 32468616.0767228 27713514.4907138 27655731.4860978 29954550.1719822 14881096.9277069 15549823.3144266 18630878.7920003 20708755.656144 17638084.1320826 15068493.3094618 14125281.6508893 8695791.2380323 7515432.34370553 7229449.13479389 10012673.5599775 18430071.5955555 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23346422.0702888 DG(34:1) 8775527.1066647 nan nan nan nan 9065402.33374773 13600985.6970927 15039828.007501 11166253.9738873 18150683.7897775 16834512.6980584 17872822.5505683 6679297.88518259 6312676.08807995 15791088.3819169 15696162.9671474 9116312.29127669 8086030.15909415 2885381.55757081 4460568.3924012 2248318.66082211 3155272.74672519 11319575.254825 11204145.9380598 8602700.90962646 2481259.74463486 2219149.4008347 2366321.2983513 3014278.12616293 4027823.43852553 3534967.03563954 2143480.52809291 5332320.05059356 2040993.98675307 3006584.97043393 2844997.65127475 2736610.58483127 2635985.08569722 3617874.98940814 1540600.79246931 3405464.63172117 2628363.11915945 2000850.36387482 1543816.53185234 1710832.76708185 3596745.77474902 3684257.10453461 5439752.6107059 3898822.75081532 1859825.40553333 4476055.90332583 3488797.31819094 2060550.40948694 2489923.83484599 4585390.48642563 4346944.27627449 4912870.37563099 4971830.70237577 6044876.55852828 4204678.8002585 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7887722.80161967 11022211.8511283 9039924.27692724 7649821.10397981 8897935.57227048 4926193.61753508 4336844.88720534 12195912.4654475 8722855.87646448 6256604.36092831 13456744.1822833 7731215.24259367 7477661.76352897 9053379.34917803 8665178.31502473 4323464.51631494 3925559.49321488 6270513.75465581 5249022.99736331 15446239.8431432 3488425.57964924 8090251.60493938 7530127.78752241 4831948.71654552 5958334.83361377 8156413.39237023 5611885.64340128 4625514.70505037 5657634.6128883 8198865.79139264 6688432.59877462 6573946.7616737 3118488.84465925 8676979.70707044 3094581.93883433 4948887.47267933 10953485.0885437 9967447.99323272 440644.4735 190726.5454 91193.63199 136946.316 13913984.2744996 12011160.695761 10893255.3096241 17664437.7641164 21427555.4092597 17847904.430323 17703987.521271 DG(18:1_18:1) 4225552.60395562 4540.390768 4003.763248 14229.18838 9722.4593 8924961.24565033 9567965.10948701 5984970.35361396 6488064.89393055 10667705.4198929 7236311.51579797 5259048.1961267 1964740.35071844 1900662.24478573 2797984.73477399 5996637.92611029 3287837.30448996 2610037.96466745 2279059.72891085 2556072.39741416 2617799.35003737 2209825.66418166 2756807.76039069 3216466.45001817 3153030.5385036 1068752.34039446 2277459.31443735 2754756.93738061 3029292.11587262 2369074.50381812 1193597.64490304 1058822.86831448 1333338.17382532 761090.123108636 1085321.00885254 1598858.9934344 1501288.97838213 1916999.32236387 2184369.01665735 2114969.95426639 2501251.56741281 2341247.48018742 2578386.81600716 1904249.89461347 1349833.67094291 2349943.17239943 1383583.92865326 2850573.27349716 2388946.04391258 720351.591448812 nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan 31183.73111 7337.84438 12540.13217 11639.80673 nan nan nan nan nan nan nan SM(d32:1) 1225760.27293691 nan nan nan nan 1265951.6395277 966315.444985186 1494505.72749814 1777307.61643664 1587013.50447276 1693995.98515492 746272.28112539 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764904.276049846 491276.063984442 1750626.05713883 1791733.23698107 nan nan nan nan 814957.335219252 889926.039787882 1085690.74771241 1192786.41831296 1291251.17064616 1281528.41750492 1792983.46018507 PC(28:0) 3740816.85375037 nan nan nan nan 2537636.68381261 3376564.52406963 4354808.09221557 4583042.57127356 3191552.12943037 4198142.86533924 7536813.13192707 3949331.61144871 4155705.13222787 3898767.72565983 7204486.54442885 5892736.69741819 6355779.48471833 4016981.12671232 4503818.1132243 5999292.85292279 3731778.37004566 5525050.5779732 7799668.53156166 5047017.75727926 4838024.79121745 5411373.94424344 5427640.24409343 5242054.23092168 6311220.12961865 6949900.30920891 3987040.35595626 4191744.72841511 4682832.23132185 7554044.16173927 4843578.44564511 6162778.58921612 4882121.41619965 4239475.20062358 4549402.82754498 5857149.41952858 4020632.97600543 5863012.24285704 4078831.14904969 3931207.45234072 2847264.94081551 5779018.78786721 6471249.13093602 3986377.52476911 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10951199.6836649 3385206.80507607 10695080.1872147 11396721.341035 8099844.21530617 10596433.3698248 10365237.9064792 15484069.6319705 8752927.88074003 10548504.28793 18446006.3410316 7844386.99997158 13209723.4572304 3408167.32128911 9816451.78280503 7445205.06633747 3375174.0714307 10785647.5806446 10381028.2067088 nan nan nan nan 1213757.5000256 1351317.32961678 1843213.22838381 1913055.06101937 5669102.35936259 5765812.9595251 11390059.0173768 SM(d36:1) 3879046.46968832 nan nan nan nan 2607270.66325297 2495745.00183156 2474189.16531827 2450753.16109508 2345364.01208766 2403354.49827114 5701573.68080318 5219461.09935384 5217071.80361516 5297966.08877609 4221524.30525152 4995311.92128692 3549909.79140292 4322893.26453057 3956652.69667164 4134891.07560121 4258476.12834245 5495609.33855003 5361498.46272103 4850148.41663492 2436869.10396039 3310281.55326949 6223378.43804761 7455363.00487644 6172278.55871412 3034977.20292931 2937125.35138068 3642619.07402334 4232483.11589601 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1384204.71623071 715840.877628624 608368.147593062 825265.826097951 801805.838853522 717108.508141589 1069357.52287151 843046.132459016 852766.010356499 969366.888931589 710178.910679402 1559092.62288581 899624.097437108 697400.316201298 808791.004365989 963328.748708391 1304135.64276977 670611.378471762 1037388.78431611 851974.589367309 940698.400199617 1869851.62109612 515350.518900507 546543.822674831 943636.891748252 967719.377767104 586914.257266654 551967.185301594 775937.546898096 1010242.21765346 790400.024218409 806510.844891628 745858.743941006 1013345.45683157 460067.565307941 912655.015071928 1163065.80215946 624937.41211607 1105300.20830716 422357.059508865 617534.104556127 923327.108919122 716734.216173888 612275.543199902 1265075.79242517 741710.835806148 727753.295986629 nan nan nan nan 530143.742139249 566184.420399693 551000.632492686 631875.675424946 1072798.68902099 1108657.91255527 777598.580862085 PC(34:4) 3526238.17973101 nan nan nan nan 1210915.00069613 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4076727.71616904 4343117.96732828 3170189.13804545 4061762.73345866 1130710.81924789 3579327.8569924 2088735.57086308 1136817.06966699 3846762.02256784 3755993.6182809 nan nan nan nan 732548.357220511 771766.820524784 1300686.17472741 1340901.62528899 1769826.25084167 1703227.93026303 4170666.68069207 PC(34:3) 1607324.8499154 nan nan nan nan 896004.25592711 858078.725110588 1241709.82020317 1303515.95023699 1267054.6448083 1321717.38802245 3193453.54245685 2197121.01301696 2171889.51880933 2159761.52752529 2932428.61202913 2713351.6282091 3277297.62489889 1999132.54646735 2551809.05590764 2379368.12731946 1579355.89345933 2331762.72588434 3437791.53548976 2110544.53826898 2796883.36677319 1547802.46888138 2822828.07420214 2742927.02510318 1911713.37540144 3284508.01100948 2757377.92871735 3501994.19646904 2563546.62429044 3345030.70640313 2163937.08521041 2055035.73868443 2790972.17234484 3028537.66988951 3805183.0404159 2496097.45321987 2513116.24451034 2959477.29595161 2533123.31328172 3040641.40484192 2093324.29498601 2985447.99535169 1879295.37702018 1862672.99910651 3872657.89750638 1775744.59163489 1757473.30025148 1537819.28680983 2635393.57002855 2081545.95100231 2061665.76296364 1510366.26591158 2254434.23018622 1650943.18943682 1721996.1029444 1569431.83242213 1733798.27021121 1534641.11751757 2113538.98205085 1690253.90761251 2455025.75591902 1913986.66008137 1690179.79523828 2482919.87915125 2270524.51949696 1432846.87744697 1373380.37727058 3344404.08624837 1611609.28001707 1415532.09681722 nan nan nan nan 652052.107590659 677036.439871236 968664.309881482 1015807.60497706 985220.498214129 1018654.88736263 1838652.59930133 PC(34:2) 21051770.4831934 1241816.458 423493.7617 149234.3432 125095.095 24314133.1418046 26489951.6007009 26144330.5644188 28487154.5466339 34520036.6611969 35513906.7496539 10825701.2355857 26585960.9653242 26604935.9683536 35240147.7904513 38151106.9978846 33145804.472919 33245031.8580309 30051799.2413259 38248062.7046709 29912996.5385918 31653393.6741467 36436176.1452071 11663836.3309531 28983176.6295983 31887357.0893063 40638621.802256 38597804.5454939 37123234.9935712 43576446.6338233 34176501.4280263 31742552.5435786 47156185.2962037 39577186.6308659 13288632.6939493 32508743.569493 32103404.3581725 33965616.0474789 36239936.5360002 37577010.1526802 44214940.1222796 37183497.4420376 44697726.9723832 33326376.3516003 34699280.3409292 41998819.0400535 13095663.8641323 31881089.1126869 40175700.2429518 30837483.2743215 41835153.8147503 49379414.8518663 42104555.3372733 37644194.2767147 41086709.4553656 39416122.2437333 41649248.1817627 13511311.6216505 31061940.3312237 29542104.7331193 33219778.5286188 35034406.0443754 47598752.7870489 32843620.0252748 47389504.7141023 50413614.1641702 28917674.0179959 42000628.2074447 32799024.2413584 13063857.0072139 28946273.2462238 46060773.590862 12885542.0738847 29772840.8161481 28989720.2155633 1368347.746 666707.5026 481107.8148 481482.9046 35070048.2062634 36424716.5969138 34486708.0730277 36230125.709955 43763105.3449071 41390865.5412056 27246718.3265932 PC(34:1) 45586535.1425137 564538.226 173561.6064 70203.38107 68236.76784 28619936.702915 28552715.2911121 31263817.0604269 32349429.3436164 34353557.6492704 35402229.8986037 84760134.9181909 56064197.2019691 56669038.1288853 61008823.0987196 80650578.0397988 66848643.8797986 53338004.8714873 54894347.4530841 61442139.3457592 58981547.2089724 51000825.5279728 58988770.1421827 85650169.5066743 53051599.6161248 54993406.1084253 48915738.945569 57636892.0563621 61952234.5582045 68136491.2881378 65350128.5037431 55422185.2240495 69409440.6787233 65156973.5772851 81575414.6096659 51888190.725105 51792304.8310543 53264128.9767403 59362169.7964434 51806916.7368851 64105466.7627654 61119535.0300201 67387591.8831265 55522757.7979566 46069217.0249331 57138354.2850998 80024119.0274031 53598920.3164061 55335445.5707617 57708704.1246167 55338216.7105962 60262895.7952688 53329894.5258816 68303648.9794995 57198643.5854752 66555444.7273449 38709951.2371345 81426088.8754448 50758727.6172435 51650851.147208 58847078.3433354 53903412.5784248 58623611.9288517 64535264.7703271 60682196.0767578 67690386.4049754 36871252.2648895 61832472.7406122 50528272.4547176 79392534.4279675 47401834.3671116 42736959.8566629 109851506.084348 49043162.2295732 49384328.1325806 512622.4003 241328.1634 235486.185 183326.446 23287915.8455673 24127523.7634161 27706876.8109693 29340174.3767786 31510134.2880248 32075147.3636287 51974622.9358754 PC(35:3) 987348.924735636 nan nan nan nan 484934.783923954 439483.928671441 471699.284592384 413535.176136405 777882.070366663 771078.281866898 310249.494718595 927896.482555405 986728.730569193 1013448.92497178 1367950.04217283 1061478.89990048 1382113.97865017 1278036.92083549 925971.374336059 1345756.96887037 1299558.59065491 921354.306961961 305525.280487594 896499.12317343 1276391.86708092 1091212.25202893 784784.362818708 1084289.48576281 891601.717639501 1043460.31679658 1365419.61019402 1005375.81169271 871713.252367725 297339.704471464 951420.621240955 977124.145390342 1284171.46204707 1087047.50487699 1453573.87598151 883079.912954852 980415.41409724 1117163.52719692 1393013.42084714 1259548.40958343 782561.478132509 292830.891303014 915889.278857008 727173.835721921 1174890.22094263 1133590.73009875 1008039.80231914 1001109.12818651 1142879.35625204 922919.047336895 1000759.5275381 653377.771701747 273204.374936657 848758.335570142 912789.169422768 1227857.78424786 1092789.70326151 1014235.84815113 1521821.99624218 888738.648296693 949983.130054531 1242091.02015492 1007362.66787653 965190.659513429 269086.917494681 777625.089694679 904177.001498974 264521.647896663 818001.864357905 791505.527513816 nan nan nan nan 326496.37819689 398833.717730672 417338.076896881 431670.889612442 799173.187002675 753054.281405957 866914.051743623 PC(35:2) 6630596.14387303 nan nan nan nan 3718837.28166351 3730523.7356529 3258772.62295377 3526149.92994115 5266291.75965355 4954456.68956697 1476336.45462225 6604041.40215822 7051500.24678618 6816189.56872869 5469215.79138452 6211579.07260266 8468239.33986343 8379596.23400985 6063975.88488098 8035176.93519653 8470585.72256532 6395950.95573539 1348941.73481488 6030207.56448359 5183575.14191047 6345804.83635219 6887969.8075476 9663271.03505354 6720662.5510276 5669726.91470327 6362826.37339488 6433797.67128978 5154074.5675232 1350400.4779795 6533458.39568599 6555387.11037641 6185070.38088127 6395850.41965417 8701601.54342725 6936662.13423446 5963556.24681708 6669837.92345432 7711196.17120402 7137913.63718619 5732527.15499202 1322167.00616277 6446280.84898817 6036023.84767029 7401686.47974123 6208460.84740481 6151082.7751014 7922811.57573996 6922196.25044085 7242458.92041214 5714011.56554029 3262446.08574315 1465395.54494891 6844488.96984588 7105278.79716109 7137327.60235993 8827024.60265496 6627500.89132367 8914944.59228046 8732086.33225802 7326628.80694272 8926378.9359757 4533778.86489565 6629953.22339756 1466474.54530683 6055920.97030695 6450999.58350458 1386817.0386077 6227267.57755194 6021796.32052798 nan nan nan nan 3250024.32468418 3481590.40615991 3207537.10687147 3210362.68330673 4862642.61917689 4575194.66083736 6425015.19246764 PC(36:4) 16615335.4860854 692467.9965 248889.332 96621.75222 87764.53087 26368824.3068727 26255716.7684271 27479215.4031056 28185120.4026418 21724818.2527817 22190778.4524413 35658494.2353517 17717486.5328667 17847218.2602015 21442057.5154619 27137391.1863429 24718339.3678503 20272316.1943754 18302306.8956969 21021343.4955665 21864615.0334542 18011563.5769474 19882872.5837841 36207736.1871578 16681344.5878558 19480632.8688562 22114118.026023 20418104.6679558 22562133.1914259 23791854.6774055 19950654.4162925 19348202.9463588 22442265.006366 22524496.0591505 34139751.8535785 15990738.4884256 15911976.1992708 18500981.3601179 19083553.1361717 18794240.5653415 19603854.040128 19437014.7211637 21694055.5609761 18874453.4897263 16995024.7366919 17702299.2402577 33631793.3332751 16285795.3557471 19677208.9984334 18693043.1625763 17253486.0455567 20207067.9194185 19362227.0667441 22056411.6050035 18508498.6883243 22151525.2871 26417169.6397318 32949802.4239554 14854424.1359367 15067296.2811347 21673745.9240458 19124548.8614049 19274223.3337801 20787528.5698909 19129151.6221322 21458301.826827 11381056.9297372 21278338.0419381 12429649.2760338 29460249.7537367 12431708.3910947 18094447.7375487 41389492.414521 12713773.4886002 12847056.7062444 732735.8352 356611.3624 262269.3085 233750.4178 23292858.9863655 23782966.7404618 24891952.9605052 26339258.6437784 19343265.4864912 19881712.5771638 13455409.0367253 PC(36:3) 38375817.4863257 295286.0928 124581.8237 46372.70567 41052.79942 17765951.020054 17391744.5975072 17206942.0112996 17604355.6921904 21241509.2792366 21850241.0499813 72103950.4349415 45388261.5739076 46152684.645269 52418668.3313313 77605738.6205325 53039735.3808497 43140485.6963583 44574304.5798813 56963140.161438 45670114.5848884 41778539.9428151 49184486.4304474 72760535.751755 43486172.1971578 46306042.0455284 38660832.0252513 41892668.5240771 45630340.0525729 56299947.6576739 59962915.2573925 44069059.3290501 64474436.7810647 60266492.1134681 69560860.2039822 42388264.6593744 42132037.6766979 41945303.2898085 52629977.5703927 40342429.4849604 52348611.0239013 52290702.188467 57906109.4067802 43931410.7101337 37525641.6245466 48106360.1301624 67756328.9232733 43437987.0686043 40720299.3429753 48730028.642084 48141727.3016877 51691573.9114809 41168264.2332155 56019215.5233761 48132973.1460878 64467285.6716906 43929328.2860629 69460595.7143977 41918201.8366789 42515553.5146219 49163656.9004836 41634926.8318966 52560906.3577023 52873568.8148801 42534759.3400724 62977541.8109411 30162506.2031729 58979085.7804852 47351650.9480965 67650723.335898 38771879.1392424 32967863.6647483 92696020.7829319 39987225.0909775 40249947.7916528 417127.7717 181617.5563 143407.0657 123526.0937 14697253.8957283 15057912.9788304 14579490.0576341 15476527.2025845 18894529.5385424 19349366.7971527 42539306.5203416 SM(d40:2) 1617588.71231242 nan nan nan nan 1500318.12459942 2230177.04987285 2767206.86767873 2564142.90269536 2080743.9893722 2033221.54119856 490871.0038575 2740057.83943946 3199047.66060204 2980034.29335944 3232056.29099784 2668155.70189541 2804096.563515 3327758.11213966 2052938.33033442 2598105.25096012 3116824.29644421 2668597.05067954 492981.933526441 3068113.13060509 1744938.30150125 2182992.69827534 2575697.51084668 2450202.95907217 2996183.98903375 3056761.8831967 2057568.14578829 2186322.21109078 1858898.26943699 374971.482452686 2395317.17796103 2463601.74550278 2036401.32889661 2102260.80235722 2034525.01823292 2063957.77397975 1869441.73630501 1960586.07526753 2397086.08053198 1923883.83897081 1601621.24171423 353502.885768563 2139822.42780085 1629235.73046486 1815128.97724216 2228611.87649587 1722456.64390644 1856665.25286586 1696267.13915748 1724129.77165023 1481169.70471597 863364.649532955 319471.751770272 2050403.41464256 2064864.15565038 1777189.68707179 2279598.71567389 1914678.66052543 2673955.11465081 2819264.04229617 1715084.99592838 2290183.11537396 1529976.86245411 2101504.72727236 327859.591756225 1783982.82355727 1605566.28088622 347640.441193065 2107792.45340377 1910031.84860121 nan nan nan nan 1372501.23434271 1459676.77027999 2113753.50158372 2197649.58517837 2181348.29116517 1983353.18600024 2389422.94247486 PC(36:2) 44963340.1109683 1088660.955 328107.4052 175097.1112 117492.2404 36469313.2674221 37706370.3433194 35013872.4008701 35453550.6534008 39337876.4970071 39862567.0267979 85928461.7438938 54453249.2296857 55314858.8172841 58817997.1915593 79423629.949714 69299035.3590142 57177144.7043491 52409434.0810677 64169592.2210988 58456034.5226141 46907364.298746 58677922.1088832 89506142.9791224 52777855.8709873 57776737.5548785 48246764.3800268 56535118.3523053 64176587.4096647 62326037.5772032 63587808.9398699 57392154.7202564 71399138.0013227 62203135.8190327 81664074.2094398 49018914.2635824 49332032.8031609 52694863.4876643 56368198.2045938 56047146.0374392 61450409.4900175 57668750.2554255 66548495.0683379 52013763.1838197 49575815.7146888 52863080.957803 79386922.130055 49890392.05778 52166278.6697609 58772313.5423828 50665192.3419598 58124737.1178361 49654632.1486532 65464715.3534961 54016583.4536168 62974112.2719663 49930687.5782484 79994437.205501 46659048.9081284 47690061.4063286 53172918.7413745 50786233.9386281 53980112.7562089 61078146.9492561 56058197.8963441 65044736.4290651 37858181.6631505 60042975.7744327 47296340.4585436 78769369.1307255 43842864.7457012 44067918.8024914 108981420.838345 44835212.8570006 45239132.1019609 747995.6643 326334.4651 365018.5423 304346.862 31469757.1951011 32158637.2832881 31402885.6426477 32724525.6169164 35671214.9849368 36461443.3126372 47802130.7631045 SM(d40:1) 911730.5290856 nan nan nan nan 597186.742041816 657648.35834929 1175043.52246226 973952.392101042 978365.087583068 1113449.18820123 539959.458074843 3180593.6264167 3334737.90659904 5933194.33642265 4391862.99109933 2334475.3919357 4390485.52777555 4433457.97841295 3076856.18188791 3265169.26158214 6222580.2333225 8771579.19979311 1537245.56376468 10802222.4802371 3047967.1627715 3346844.83257326 7691181.05818342 7483844.19931377 11967352.6007761 10776390.167087 5697243.19694994 5106447.37282994 4778882.03306165 1093370.45420895 7848342.08873975 8094652.29008289 5641022.49029535 6711269.71086585 6396266.11707104 5058203.90375106 3016186.9546682 4309957.85238242 4531066.67692735 1917329.22016186 2641811.33739567 608316.674839757 2683788.84447775 1166349.55957706 3366162.13514783 5277914.80268402 3351052.95420725 3207208.35678011 2846006.03715996 2541874.48387147 2031252.05098873 1116327.59578943 551415.841985412 2915976.11857596 3439234.28173733 2220886.23333807 2657336.58701796 3088062.28921809 2485339.87173703 3695630.02575214 2851529.09046974 3136941.73508582 2808965.57740182 4240707.12142901 586327.345156185 3344068.04442036 1367475.59288525 551807.873463336 3292895.93277402 3288019.0404877 nan nan nan nan 793525.391231344 914415.568779336 1243379.25995929 856398.709473658 868526.270210462 782180.263509682 3080312.57824404 PC(38:6) 20843074.1482199 99916.21451 37841.34609 23359.45519 18371.24638 5210462.25710868 4877981.1125238 5811061.78316262 5721377.42170975 6833742.72067236 6977834.80505219 34252619.1443286 27065599.3218284 27339679.3984327 25117998.4214309 22211659.296052 30319462.3097178 21772735.1755389 27473451.5747142 29044574.196268 26210722.8993494 21235683.9870318 28878921.6696549 33910590.0137314 25807060.4471858 19138494.6882893 24022081.6732342 34240958.9516407 37853040.8318051 33393671.3267119 23508758.9865013 19176936.3002303 32227990.3276888 29949648.7454838 32338036.4808772 25261755.6413022 25477450.8940461 20906694.5296571 24620479.4718642 24827993.5071075 33208265.5263702 27401616.4421053 29878936.9593356 24199785.0988211 16897490.3595836 28374882.5374596 31407378.8093164 26116058.1133268 32270216.4836352 23621759.1413158 19438134.4568264 25938301.5909972 28917246.7415445 29448277.3158286 26121928.7150358 25533687.9484738 17499520.3969506 31751950.8728398 24423157.4155519 24963789.9829931 20035481.9865861 25636903.0050728 22043493.4097875 28426528.1600526 34621287.0641306 30545014.6454099 13990294.5001344 17085100.3980973 20064736.2911362 30259343.5476843 23115082.8205048 10031010.9700756 42076951.0682514 23846040.8115084 23936745.5098006 149725.2658 64905.34473 50431.72127 38437.63812 3861122.73547552 4199154.44564799 4713145.78357226 4963673.21376761 5770763.18279345 5997419.12938085 25307684.4837767 SM(d42:2) 4467611.69011906 nan nan nan nan 4138858.82261987 5779789.50899317 10633079.395582 9459998.39385565 13588418.3797996 13997533.0359565 3350849.39107354 16758054.4862785 16890578.3149995 18722811.722817 15310813.9900093 11903488.952882 13794914.792345 10698268.3282135 8744860.57274975 10609884.2208391 14637470.4023205 17707619.1536647 3650618.68192787 25460956.4536767 13129266.6461608 11492257.7534105 20199401.9218929 21154217.1064315 28793651.8468007 32084508.7874009 28381600.8996683 23052898.8364214 20249084.8302674 5550745.46640191 41987510.9677525 43011355.0416361 34045890.9545069 30737082.5235961 30666912.0425484 31082230.230281 18725500.208796 22191837.8161543 21577102.4104974 23692620.1212488 25057341.4835185 3195328.77948479 31807171.59323 15188467.070365 17628898.2627189 19099509.5341799 14047592.7710016 12935800.4754037 13305093.0794586 11715439.0413882 9644816.4161486 15955768.0393884 2580557.02001261 15161382.1379022 16424897.4939755 10526533.5416565 12471783.7609892 14457279.7493943 11764103.3981096 13389857.46837 11037339.0511472 20057925.2007177 12480797.9728919 18991459.5198081 2871794.68467153 18140434.1952584 8335082.38037512 2802196.63302245 18777949.3370851 18859144.0921146 nan nan nan nan 5296235.29779351 5861817.67129258 8160320.47060775 8623492.06475073 14049564.9923299 12705468.2980021 20162435.4127885 SM(d42:1) 4210862.32543936 nan nan nan nan 867127.585067834 876654.109431607 1062549.25203956 1067575.83043498 593540.518469985 492402.042759387 3552946.43085249 4378239.32543083 4493441.53571555 6032751.66605053 4112739.20579797 2213079.42600811 3769115.14745812 4005590.00766398 1993733.69605162 3217949.70305398 4899812.4837964 5053713.25184014 3225880.88952613 3541814.99104883 1946018.71301646 1357564.07396578 3363811.17367276 4000879.6007886 3784424.773042 2901885.22394612 3247241.33547108 3015786.36835913 3569330.28399757 3136776.2623624 3949239.7883818 5349984.79881606 5474760.43851016 3639340.20799871 3559451.88299188 3115597.02231979 3842666.48676687 3741247.17210407 5829511.22965902 4432260.18601372 4408396.70131802 4947776.60182051 6654146.80457485 2300638.67846366 7076865.27121721 8139467.56626028 4491675.85842508 4748769.96893836 4478921.40557833 3221172.19940658 2349061.98862246 1738738.40408713 3729781.26155678 3394841.33288257 4142968.62781593 2733667.24498405 3245182.29993626 3104911.27990961 3957292.86049259 5044140.31290555 3127074.17584903 3962195.32095226 3027803.43903704 4720430.09436984 2832894.82355534 2897045.26236253 1423506.34641552 2321149.24018363 2871929.22410692 3198821.4119239 nan nan nan nan 722363.661075866 716505.722125315 997459.519705976 992569.058842894 410167.691810957 510394.35846248 3634534.27216875 PC(40:8) 281114.62542538 nan nan nan nan 3480956.74888994 2708904.93566552 2532034.33777129 2221802.21472912 1568166.05420343 1526315.03680472 625825.028529713 297071.274759552 295487.871989826 376550.208484433 318187.186632745 461498.994454408 407033.504367147 349268.786791855 376768.557792021 370170.035126234 303550.248176971 402157.169483003 622748.042763212 301456.533049792 335957.063661614 582066.740299325 594352.458697181 727051.596992296 458474.656040569 358432.414730192 307667.026810285 484991.357043754 473284.388608425 630929.113581368 310577.124203968 303786.743586588 334265.72213151 342324.720274784 417076.360359929 447420.07023509 361364.587420892 398148.387077543 300166.501074489 395369.515422631 362517.08085768 620761.288457026 287453.876934735 587520.61606104 297218.106725462 261508.50246035 327338.94364482 415592.12493141 274097.923876508 338385.222267208 322215.304144359 798579.313466879 545377.078296889 271876.111699163 278040.615411696 284660.373566234 355078.235919312 324176.855182906 271615.831325399 483061.456577072 373999.679476435 192349.36784255 325115.227597807 200336.538969436 540210.843406414 265033.413524905 379285.236029049 544072.410968602 266292.406464941 261155.1681073 nan nan nan nan 2110690.76013872 2077224.24281708 2208781.67899566 2202247.42272382 1510419.6516277 1482095.40732125 282351.169189356 PC(40:6) 15773469.1265742 nan nan nan nan 2994319.46694219 2945590.45478954 3947934.41673605 3739062.74399577 6852799.52551548 6520846.21095434 3581855.02230586 14352361.8128683 15319499.69646 15425086.0570854 1668040.91003674 13777124.1318102 16156092.7621473 19489708.0470407 16027366.5134009 16854093.1472891 19832906.9024814 14608474.2921863 3437513.04431974 13519697.7425424 11580073.0500667 16985885.9394762 18929118.4656557 22089965.0122653 18742722.8506372 13481201.4968386 12137082.1541524 14211440.9896604 14999907.5250579 3382947.66263167 14629007.1479817 15098421.9905389 15568704.0905252 15854979.6549269 17690470.3472071 17230976.1329095 15523273.9614453 14806251.1820331 17948641.3063433 11445263.1855792 15135032.5087796 3304421.65497029 14307115.4862367 16765217.8907086 12852457.034409 13953738.8600726 14803216.77766 17978557.9651818 16356193.8474896 14143459.9948728 16564064.7108952 2592338.39446113 3390665.98171318 14244614.3685228 14886484.1479274 14716968.2617245 18412326.3667469 14742422.6031772 21513924.1224713 18871119.2046095 17077453.8745269 13896692.419345 11695576.4076445 13632731.6204906 3462172.96559962 13065063.017143 11789561.0289703 3245471.33357624 13469283.1188266 13199834.0522209 nan nan nan nan 2123142.18339171 2404417.67932444 3544344.68418819 3640168.08060283 6222757.9684739 5908621.42953134 14249823.7569227 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt 2-piperidinone C5 H9 N O 100.075276 99.068 2-Piperidinone 3.04 choline C5 H13 N O 104.107476 103.1002 Choline 0.61 uracil C4 H4 N2 O2 113.034276 112.027 Uracil 1.87 proline C5 H9 N O2 116.072276 115.065 Proline 0.71 valine C5 H11 N O2 118.086676 117.0794 Valine 0.78 niacinamide C6 H6 N2 O 123.056076 122.0488 Niacinamide 1.35 creatine C4 H9 N3 O2 132.077576 131.0703 Creatine 0.69 Isoleucine C6 H13 N O2 132.101776 131.0945 Isoleucine 1.83 leucine+ isoleucine C6 H13 N O2 132.101976 131.0947 Leucine/Isoleucine 1.95 leucine C6 H13 N O2 132.102076 131.0948 Leucine 1.95 hypoxanthine C5 H4 N4 O 137.046376 136.0391 Hypoxanthine 1.3 glutamine C5 H10 N2 O3 147.076376 146.0691 Glutamine 0.61 lysine C6 H14 N2 O2 147.112476 146.1052 Lysine 0.52 guanine C5 H5 N5 O 152.057176 151.0499 Guanine 1.27 S-allylcysteine C6 H11 N O2 S 162.058776 161.0515 S-Allylcysteine 2.41 carnitine C7 H15 N O3 162.111576 161.1043 Carnitine 0.64 urate C5 H4 N4 O3 169.035676 168.0284 Uric acid 1.26 serotonin C10 H12 N2 O 177.102076 176.0948 Serotonin 2.36 hippurate C9 H9 N O3 180.065776 179.0585 Hippuric acid 4.35 glucose C6 H12 O6 181.070676 180.0634 Glucose 0.75 3-indolepropionate C11 H11 N O2 190.086276 189.079 3-Indolepropionic acid 6.67 3-hydroxyphenyl-valerate C11 H14 O3 195.101476 194.0942 3-Hydroxyphenyl valeric acid 9.19 Car(2:0) C9 H17 N O4 204.124076 203.1168 CAR(2:0) 1.09 tryptophan C11 H12 N2 O2 205.097276 204.09 Tryptophan 3.62 kynurenine C10 H12 N2 O3 209.092676 208.0854 Kynurenine 2.69 FA(12:0-NH2) C12 H25 N O2 216.195576 215.1883 Aminododecanoic acid 8.05 Car(3:0) C10 H19 N O4 218.139076 217.1318 CAR(3:0) 2.22 pantothenate C9 H17 N O5 220.118776 219.1115 Pantothenic acid 3.43 diethylphthalate C12 H14 O4 223.097076 222.0898 Diethyl phthalate 8.27 Ile-Pro C11 H20 N2 O3 229.151676 228.1444 Ile-Pro 1.73 Leu-Pro C11 H20 N2 O3 229.154876 228.1476 Leu-Pro 2.01 Ile-Val C11 H22 N2 O3 231.170076 230.1628 Ile-Val 3.67 Car(3:0, 2-CH3) C11 H21 N O4 232.154976 231.1477 CAR(4:0)_rp_a 3.05 Car(4:0) C11 H21 N O4 232.155276 231.148 CAR(4:0)_rp_b 3.12 cytidine C9 H13 N3 O5 244.093076 243.0858 Cytidine 0.99 Car(5:1) C12 H21 N O4 244.154476 243.1472 CAR(5:1) 3.7 N-undecanoylglycine C13 H25 N O3 244.191076 243.1838 N-Undecanoylglycine 8.44 Ile-Ile C12 H24 N2 O3 245.185476 244.1782 Ile-Ile 4.63 Leu-Ile C12 H24 N2 O3 245.185476 244.1782 Leu-Ile 4.63 Car(4:0,3-CH3) C12 H23 N O4 246.170476 245.1632 CAR(5:0)_rp_a 3.9 Car(5:0) isomers C12 H23 N O4 246.170476 245.1632 CAR(5:0) 3.96 Car(5:0) C12 H23 N O4 246.170576 245.1633 CAR(5:0)_rp_b 3.96 Asp-Leu C10 H18 N2 O5 247.128076 246.1208 Asp-Leu 3.3 FA(16:1) C16 H30 O2 255.231876 254.2246 Palmitoleic acid 11.1 sn-glycero-3-phosphocholine C8 H20 N O6 P 258.110576 257.1033 sn-Glycero-3-phosphocholine 0.78 Car(6:0) C13 H25 N O4 260.186976 259.1797 CAR(6:0) 5.03 gamma-glutamylisoleucine C11 H20 N2 O5 261.143776 260.1365 gamma-Glutamylisoleucine 4.17 gamma-glutamylleucine C11 H20 N2 O5 261.143776 260.1365 gamma-Glutamylleucine 4.17 Car(5:0-OH) C12 H23 N O5 262.165176 261.1579 CAR(5:0(OH)) 2.54 deoxyguanosine C10 H13 N5 O4 268.105076 267.0978 Deoxyguanosine 2.41 inosine C10 H12 N4 O5 269.088776 268.0815 Inosine 2.47 sphinganine (C16) C16 H35 N O2 274.274576 273.2673 C16 Sphinganine 8.54 monoethylhexyl phthalate C16 H22 O4 279.159976 278.1527 Monoethylhexyl phthalic acid 10.28 FA(18:2) C18 H32 O2 281.245476 280.2382 Octadecadienoic acid 11.5 oleamide C18 H35 N O 282.278776 281.2715 Oleamide 11.38 FA(18:1) C18 H34 O2 283.260176 282.2529 Oleic acid 11.72 Car(8:1) C15 H27 N O4 286.201176 285.1939 CAR(8:1) 6.06 Car(8:0) C15 H29 N O4 288.217476 287.2102 CAR(8:0) 6.76 Glu-Phe C14 H18 N2 O5 295.128976 294.1217 Glu-Phe 4.37 5'-methylthioadenosine C11 H15 N5 O3 S 298.097176 297.0899 5'-Methylthioadenosine 3.95 sphingosine (C18) C18 H37 N O2 300.290076 299.2828 Sphingosine 9.7 Car(9:0) C16 H31 N O4 302.232676 301.2254 CAR(9:0) 7.43 sphinganine (C18) C18 H39 N O2 302.305276 301.298 Sphinganine 9.84 MG(14:0)_rp_a C17 H34 O4 303.251976 302.2447 MG(14:0)_rp_a 10.98 Car(8:0-OH) C15 H29 N O5 304.211976 303.2047 CAR(8:0(OH)) 5.63 gamma-glutamyltyrosine C14 H18 N2 O6 311.126876 310.1196 gamma-Glutamyltyrosine 3.04 benzylbutylphthalate C19 H20 O4 313.145476 312.1382 Benzyl butyl phthalate 10.23 Car(10:1) C17 H31 N O4 314.232976 313.2257 CAR(10:1) 7.53 Car(10:0) C17 H33 N O4 316.248876 315.2416 CAR(10:0) 7.99 Car(11:0) C18 H35 N O4 330.264076 329.2568 CAR(11:0) 8.46 MG(16:0) C19 H38 O4 331.285576 330.2783 MG(16:0) 11.38 Car(10:0-OH) C17 H33 N O5 332.243276 331.236 CAR(10:0(OH)) 7.2 Car(12:1) C19 H35 N O4 342.264176 341.2569 CAR(12:1) 8.42 Car(12:0) C19 H37 N O4 344.280576 343.2733 CAR(12:0) 8.86 MG(18:1)_rp_b C21 H40 O4 357.300576 356.2933 MG(18:1)_rp_b 11.48 MG(18:1)_rp_a_b C21 H40 O4 357.300776 356.2935 MG(18:1) 11.48 GMP C10 H14 N5 O8 P 364.065576 363.0583 GMP 1.27 Car(14:2) C21 H37 N O4 368.280276 367.273 CAR(14:2) 8.83 cholesterol (-H2O) C27 H44 369.352076 368.3448 Cholesterol 13.5 Car(14:1) C21 H39 N O4 370.296176 369.2889 CAR(14:1) 9.21 Car(14:0) C21 H41 N O4 372.312176 371.3049 CAR(14:0) 9.51 sphingosine-1P (C18) C18 H38 N O5 P 380.256376 379.2491 Sphingosine 1-phosphate 10.66 bis(2-ethylhexyl)phthalate C24 H38 O4 391.284476 390.2772 bis(2-Ethylhexyl)phthalic acid 11.89 deoxycholate C24 H40 O4 393.299976 392.2927 Deoxycholic acid 10.61 Car(16:3) C23 H39 N O4 394.295476 393.2882 CAR(16:3) 9.22 Car(16:2) C23 H41 N O4 396.312076 395.3048 CAR(16:2) 9.4 Car(16:1) C23 H43 N O4 398.327876 397.3206 CAR(16:1) 9.7 Car(16:0) C23 H45 N O4 400.343676 399.3364 CAR(16:0) 10 Car(18:2) C25 H45 N O4 424.343576 423.3363 CAR(18:2) 9.87 Car(18:1) C25 H47 N O4 426.359376 425.3521 CAR(18:1) 10.12 Car(18:0) C25 H49 N O4 428.374976 427.3677 CAR(18:0) 10.37 alpha-tocopherol C29 H50 O2 431.388076 430.3808 alpha-Tocopherol 13.38 Car(20:0) C27 H53 N O4 456.406076 455.3988 CAR(20:0) 10.66 glycocholate C26 H43 N O6 466.316976 465.3097 Glycocholic acid 9.55 LPC(14:0) C22 H46 N O7 P 468.309476 467.3022 LPC(14:0) 10.56 LPE(18:2)_rp_b C23 H44 N O7 P 478.293976 477.2867 LPE(18:2)_rp_b 10.93 LPC(15:0)_rp_a C23 H48 N O7 P 482.323576 481.3163 LPC(15:0)_rp_a 10.83 LPE(18:0)_rp_b C23 H48 N O7 P 482.325176 481.3179 LPE(18:0)_rp_b 11.44 LPC(16:1)_rp_a_b C24 H48 N O7 P 494.325376 493.3181 LPC(16:1) 10.73 LPC(16:0)_a_b C24 H50 N O7 P 496.341476 495.3342 LPC(16:0) 11.04 LPC(16:0)_rp_b C24 H50 N O7 P 496.341576 495.3343 LPC(16:0)_rp_b 11.04 LPC(17:0)_rp_a_b C25 H52 N O7 P 510.356776 509.3495 LPC(17:0) 11.25 LPC(18:2)_rp_b C26 H50 N O7 P 520.341176 519.3339 LPC(18:2)_rp_b 10.9 LPC(18:2)_rp_a_b C26 H50 N O7 P 520.341276 519.334 LPC(18:2) 10.9 LPC(18:1)_rp_b C26 H52 N O7 P 522.357276 521.35 LPC(18:1)_rp_b 11.16 LPC(20:4)_rp_a_b C28 H50 N O7 P 544.341276 543.334 LPC(20:4) 10.81 LPC(20:4)_rp_b C28 H50 N O7 P 544.341376 543.3341 LPC(20:4)_rp_b 10.9 LPC(20:3)_rp_b C28 H52 N O7 P 546.354976 545.3477 LPC(20:3)_rp_b 11.45 LPC(20:3)_rp_a_b C28 H52 N O7 P 546.355076 545.3478 LPC(20:3) 11.45 LPC(20:0)_rp_a C28 H58 N O7 P 552.402676 551.3954 LPC(20:0)_rp_a 11.74 DG(32:1) C35 H66 O5 567.499076 566.4918 DG(32:1) 14.3 DG(32:0) C35 H68 O5 569.514676 568.5074 DG(32:0) 15.09 DG(34:2) C37 H68 O5 593.516276 592.509 DG(34:2) 14.6 DG(34:1) C37 H70 O5 595.531476 594.5242 DG(34:1) 15.34 DG(36:3) C39 H70 O5 619.531576 618.5243 DG(36:3) 14.81 DG(18:1_18:1) C39 H72 O5 621.546676 620.5394 DG(18:1_18:1) 15.61 SM(d32:1) C37 H75 N2 O6 P 675.544676 674.5374 SM(d32:1) 12.43 PC(28:0) C36 H72 N O8 P 678.506576 677.4993 PC(28:0) 12.53 SM(d34:2) C39 H77 N2 O6 P 701.561576 700.5543 SM(d34:2) 12.53 PC(30:0) C38 H76 N O8 P 706.539376 705.5321 PC(30:0) 13 SM(d35:1) C40 H81 N2 O6 P 717.590776 716.5835 SM(d35:1) 13.22 SM(d36:2) C41 H81 N2 O6 P 729.591276 728.584 SM(d36:2) 13 PC(32:2) C40 H76 N O8 P 730.540476 729.5332 PC(32:2) 12.72 SM(d36:1) C41 H83 N2 O6 P 731.608376 730.6011 SM(d36:1) 13.4 PC(32:1) C40 H78 N O8 P 732.556476 731.5492 PC(32:1) 13.04 PC(32:0) C40 H80 N O8 P 734.572276 733.565 PC(32:0) 13.49 PC(33:2) C41 H78 N O8 P 744.552476 743.5452 PC(33:2) 12.94 PC(34:4) C42 H76 N O8 P 754.539576 753.5323 PC(34:4) 12.68 PC(34:3) C42 H78 N O8 P 756.555676 755.5484 PC(34:3) 12.9 PC(34:2) C42 H80 N O8 P 758.572376 757.5651 PC(34:2) 13.23 PC(34:1) C42 H82 N O8 P 760.587776 759.5805 PC(34:1) 13.62 PC(35:3) C43 H80 N O8 P 770.567076 769.5598 PC(35:3) 13.06 PC(35:2) C43 H82 N O8 P 772.587776 771.5805 PC(35:2) 13.51 PC(36:4) C44 H80 N O8 P 782.572276 781.565 PC(36:4) 13.13 PC(36:3) C44 H82 N O8 P 784.587676 783.5804 PC(36:3) 13.34 SM(d40:2) C45 H89 N2 O6 P 785.651776 784.6445 SM(d40:2) 14.23 PC(36:2) C44 H84 N O8 P 786.603376 785.5961 PC(36:2) 13.88 SM(d40:1) C45 H91 N2 O6 P 787.669776 786.6625 SM(d40:1) 15.08 PC(38:6) C46 H80 N O8 P 806.572476 805.5652 PC(38:6) 13.09 SM(d42:2) C47 H93 N2 O6 P 813.686776 812.6795 SM(d42:2) 15.2 SM(d42:1) C47 H95 N2 O6 P 815.701576 814.6943 SM(d42:1) 16.39 PC(40:8) C48 H80 N O8 P 830.568176 829.5609 PC(40:8) 13.27 PC(40:6) C48 H84 N O8 P 834.603676 833.5964 PC(40:6) 13.7 METABOLITES_END #END