#METABOLOMICS WORKBENCH efahy_20230425_000110 DATATRACK_ID:4008 STUDY_ID:ST002694 ANALYSIS_ID:AN004367 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 White 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=20191106-EX00979-A003-IN0028-CS00000MP-01-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-02 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191106-EX00979-A003-IN0028-CS00000MP-02-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-03 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- 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DC8B35E8-4AA8-4829-8569-F223D069620C 90578017008 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191106-EX00979-A003-IN0028-S00042376-90578017008-P.zip SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581017008 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191106-EX00979-A003-IN0028-S00042377-90581017008-P.zip SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585017008 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191106-EX00979-A003-IN0028-S00042378-90585017008-P.zip SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587017008 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191106-EX00979-A003-IN0028-S00042379-90587017008-P.zip #COLLECTION CO:SAMPLE_TYPE White adipose #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY See SOP SP:SAMPLEPREP_PROTOCOL_FILENAME MiCAS_SOP002_Sample Preparation and Extraction_v3_20190904.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) CH:METHODS_FILENAME M004_A1B1_0p45mLmin_20min_MS1_neg_WBsensON.m CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% methanol; 0.025% formic acid CH:FLOW_GRADIENT Linear ramp from 0% to 100% B from 0-10 minutes, hold 100% B until 17 minutes, CH:FLOW_GRADIENT linear return to 0% B from 17 to 17.1 minutes, hold 0% B until 20 minutes CH:FLOW_RATE 0.45 ml/min CH:COLUMN_TEMPERATURE 55C #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_TYPE QTOF MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS See SOP protocol MiCAS_SOP004_Data post-processing and QC_v2_20190904.pdf MS:MS_RESULTS_FILE ST002694_AN004367_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 90217017008 90218017008 90222017008 90223017008 90225017008 90227017008 90229017008 90232017008 90237017008 90239017008 90245017008 90248017008 90251017008 90252017008 90254017008 90258017008 90259017008 90265017008 90266017008 90267017008 90280017008 90281017008 90283017008 90289017008 90292017008 90406017008 90410017008 90412017008 90416017008 90420017008 90421017008 90422017008 90423017008 90426017008 90430017008 90439017008 90441017008 90444017008 90449017008 90450017008 90559017008 90560017008 90564017008 90567017008 90571017008 90576017008 90578017008 90581017008 90585017008 90587017008 CS00000MP-01 CS00000MP-02 CS00000MP-03 CS00000MP-04 CS00000MP-05 CS00000MP-06 CS00000MP-07 CS00000MP-08 CS00000MP-09 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS0000OP0-01 CS0000OP0-02 CS0000OP0-03 CS0000OP0-04 CS0000OP0-05 CS0000OP0-06 CS0000OP0-07 CS000QCMP-01 CS000QCMP-02 CS000QCMP-03 CS000QCMP-04 CS0UMRA01-01 CS0UMRA01-02 CS0UMRA01-03 CS0UMRA01-04 CSMR80012-01 CSMR80012-02 CSMR80012-03 CSMR80012-04 CSMR80013-01 CSMR80013-02 CSMR80013-03 CSMR80013-04 alanine 207425.368905934 207073.590423351 262241.564758221 221401.867356145 361501.708354691 313038.032648268 280251.436285488 252867.728134535 261504.33644476 324147.497259754 215850.954071674 288111.646659455 505836.100037077 390346.061282671 234472.965852065 851861.123090421 146447.073209807 320641.680617742 480254.935828693 221113.900680853 405155.858098489 260464.243634576 212708.844955517 170909.644402936 155049.264081179 384021.009973784 180231.622743398 163331.270398928 204582.56178785 231607.753642595 369736.368456338 1009013.49348935 462416.801004975 179817.740305093 180479.589857079 226478.049884111 272937.942042797 227263.967523913 212891.544082389 246658.360842123 200366.438742517 1130842.39821361 602877.580605373 167043.059162163 270605.494494446 213080.731263088 197590.754535042 214469.052314701 728727.098345196 213801.451888176 329374.736187086 315673.082958684 320661.728351646 315583.5672286 329145.331966197 330352.604058924 326995.214042905 329406.707988753 324289.814181618 nan nan nan nan nan nan nan nan 403963.163963887 401865.065474709 395329.451973025 408676.738344515 403855.654515594 413175.168575238 402630.368960086 316780.292880007 330043.343474536 321271.590586039 324907.659562672 612682.63427644 610782.031940675 600981.691352629 590606.47676054 235103.301347881 235282.15583134 261668.903729196 256886.473615261 245789.793502044 253853.242567432 252703.288293386 253374.738350198 choline 2218862.48453273 1933818.90118845 2278632.25701253 1602444.93757742 2145042.70971105 2185218.85833801 1903693.70927064 1923920.27000448 1511803.55154947 1218994.95992156 1414968.30790844 1336306.59692947 1491065.60178382 1401241.50195013 1284856.21275403 1045148.88143597 1592521.60723694 1349261.75462195 1393883.07430228 1646188.0662872 1312428.03089927 1620931.19696432 1504168.34883131 1451751.78250701 1332104.19641827 1621259.09472967 1732026.06983426 1325403.31434567 1568006.54592481 1565290.73900182 1651122.4944938 1343329.9467156 1503668.36244872 1495468.96355016 1379862.31020693 1769330.25515281 1598247.52233007 1366041.98597697 1490768.49018282 1523533.2679224 1545524.35422778 1283863.5099255 1379817.11314402 1496999.39609389 1721723.75273887 1596563.90148532 1553555.97246148 1493997.50100196 1481472.61790376 1752699.26755193 1639372.57717012 1633296.51546028 1610411.08647928 1612258.78808639 1616462.33489329 1639120.14646444 1623198.76310667 1590382.99774103 1605214.23275225 20264 14684 120166 125691 108218 20908 135994 131596 2244955.90483817 2229240.63274127 2217503.29971351 2217083.84998026 2247308.43998588 2160902.07355492 2149179.88358942 1608531.34038436 1637239.69807802 1632246.03921888 1604347.75713408 2761383.79918414 2738265.29687248 2602367.44921468 2533643.10019027 2250730.10230359 2201336.03802078 2225041.23588435 2226654.60854489 2803715.40073846 2853824.36158917 2760450.50130834 2711681.03843296 uracil 396316.645261552 306965.331306375 291671.197278435 290402.960751449 546433.189654395 337654.174904695 342447.126733885 192599.229227219 231667.844049711 130881.67012961 203710.684961205 90291.1089757729 133625.081719365 144087.695585572 172410.649463311 100012.428927001 184675.306479701 151205.535816471 202320.192346235 228767.358255953 95854.5579090163 292771.973244149 249875.590567245 216086.94454714 156549.909895271 175853.601824079 162129.619123439 114130.876703865 155569.673095977 135066.514128396 307015.150131049 203588.690531245 258484.769476368 145639.950111222 129054.29663454 224027.196029205 214627.432799162 157934.896759924 230709.681739969 223583.33749642 140181.966108435 191420.776906026 139629.611922509 167186.237934338 263986.543377586 176493.658615614 180010.420177619 221510.896451286 180428.359110537 209418.358167468 228401.069059529 228020.480721722 223076.377285268 235060.016999787 230026.317665538 236082.913956997 233986.282531215 225404.81498063 226644.196537847 nan nan nan nan nan nan nan nan 500142.328266671 487834.664342892 487041.110277022 504544.544293227 501657.793021073 488826.946886483 484440.142573205 226456.46223399 222624.446227348 236387.233583217 231889.425429466 479461.608138809 471600.318114637 450855.133873041 456505.472226883 390167.709493656 396475.356092538 389719.570086841 366983.971838868 497518.274643369 496098.613228958 489830.211132357 489352.518062694 proline 276489.280110078 248215.199865642 319221.0348399 318459.090589165 398773.725565506 443676.160640455 288632.908150392 284460.404061284 251977.566786272 231078.36711902 271540.426801595 273582.76328805 252381.238075174 202615.359164728 305851.690581386 301853.320522525 303852.88451439 250016.451471298 222025.261094509 441981.74314024 189263.341104752 324746.293370653 223362.98897196 198004.042547787 223211.582140938 299514.32427582 225353.293128076 206459.386916353 281207.968145314 262806.197781489 283524.955080666 266112.979864393 308705.111029865 235142.993409659 189170.098320212 260360.361674508 325765.656147294 267621.364209863 266874.739944891 313958.009773121 256431.855535442 218000.931463412 241489.986530108 216973.307235629 275844.208406089 229486.836470477 279712.226993822 242619.665966608 258817.691256459 226197.96978073 283015.825424626 275965.182892403 277351.804374265 288589.216079045 289394.90728123 283226.271228668 286155.59822695 278027.324075507 283773.576367127 1131 907 2526 3474 nan nan nan nan 339145.103427703 329688.277661683 339593.394915634 333828.788815023 336404.878820681 330058.060090097 340141.404372782 281571.314706157 283201.236045009 276532.008683411 281523.877920936 508916.081173236 502090.130795738 502717.229470584 487236.243022051 372347.681050144 354409.029516256 381576.361112617 370563.157996716 309035.376812024 322515.286024665 313909.066652464 317447.820331582 valine 81755.2564806307 85331.0495086141 99690.3754202814 87961.741755848 71943.5109807319 155911.599380032 95796.1986255431 80906.4041782356 75037.0091824493 24133.9482231363 104006.109028477 149600.642742383 78026.9412608678 89376.3803897989 79412.9675977004 213931.263494917 54923.0923219268 60609.9682802935 177416.199435886 89392.3831859505 159031.555846084 291417.356996041 91151.2485616058 52506.6922144651 201914.195584033 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 198348.397403798 73119.5840383751 72276.1532858524 266951.363052069 66127.6922316087 80664.8185056941 81649.8708867344 60882.685865167 65747.010706881 12371 nan nan 7673 nan nan 9138 nan 196503.870961021 88176.4367267944 192205.314844176 209480.993328244 19170.8207394753 152632.930640661 176945.409714109 282407.902819447 69950.2469264237 81304.5189376039 66620.056733021 345974.768033028 348582.917307608 349743.37939547 81950.3498609046 306084.310243858 265065.90162714 194267.066375282 70373.3464672338 218071.51557451 59516.1696316778 174877.286841703 80722.7344820009 niacinamide 1637654.6705094 1369173.82556724 2170499.01100832 1715468.59907297 2469313.65174779 2244648.18565293 1766870.38983889 1667724.92712204 1133600.80616529 648975.441223884 1178926.37805817 447884.065676633 738293.542543727 679129.09822647 943165.204366821 607056.305871715 1038943.5612899 687044.543794468 905212.420519582 951670.255997281 482995.346217346 1258563.96896841 1076633.98951899 978428.438812672 752121.321202609 767387.203916345 747940.275714201 490475.075277708 792316.141302405 1167764.54929162 1165930.45589188 1163916.92626585 1064349.70639267 525994.324574478 554147.287456968 1619061.2179297 1148264.24013836 1100419.16844911 1278535.84100051 1164081.12898004 720380.172264148 918828.325973026 682316.741959275 712688.681662307 1050592.08750786 694571.108878598 808880.891229053 976231.34554559 823518.580807357 816877.175451967 1081132.43658103 1066979.64404664 1103391.2893024 1116661.24545668 1106952.90669074 1065025.8986835 1061302.5768824 1126713.53923611 1112501.28436554 nan nan nan nan nan nan nan nan 2493617.89607402 2576149.35514844 2499350.48498587 2546631.79562447 2413247.42626481 2420427.84753582 2433341.07921741 1090591.88451117 1127860.45069716 1059996.31257182 1109768.02991644 1510497.69546668 1479359.57184403 1389067.08801784 1416040.14520367 1599028.23178773 1658620.32154264 1594118.17414898 1613673.67637839 1730771.77815916 1761662.74413558 1687804.0896566 1698333.09045352 pyroglutamate 270077.070387055 280523.242579299 470953.679489012 543721.418560868 833699.174560237 582920.431456652 413718.887641764 367227.157254914 346140.364352565 137757.982940805 172816.043440178 50108.3532253264 85931.7721581189 60871.7554143769 240637.396451792 42667.607799643 48602.2627257239 26517.6603559901 74494.7699519707 144553.882687716 158577.590542423 577690.481549529 470056.209415073 113201.275316147 236754.763892513 46408.0315543487 21402.5466378215 27369.1039248693 70417.2270705799 42858.5913853249 551711.442919865 346665.611346951 308974.82025332 48736.7263621173 37600.9598657143 114233.377254891 462785.379620072 237706.034731831 296328.048249757 533801.79061776 35858.6731608714 63655.2539249168 50810.7078881829 91178.3234374291 101632.970197412 71246.013117082 73136.012018771 104471.147590823 60347.8221708442 60954.8378744435 118507.222869834 139544.563190855 135692.250050658 132312.459530872 112933.083232819 134296.277379446 109471.200467916 102627.185129472 92477.2274629973 nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan 146895.031816779 118125.650391331 130212.652623454 91701.8773808694 28702.6356003904 30884.3573999533 22512.7031146891 22991.1113777559 274407.876925477 265947.263177814 205129.971572145 191643.52642673 112040.375546529 102801.837134414 85766.0950208377 93323.1571426811 creatine 842373.983393753 757860.606895456 979179.960851507 834984.178028344 1281388.40586841 1188100.08709123 1179867.48348095 1039281.62404681 1097458.34119421 1370947.50480929 979336.2436633 1218931.58127899 2308990.93788458 1817969.70826396 1032806.14619774 3793702.565288 647031.381099504 1395250.40052264 2113851.03982548 1014384.54243782 1844908.74185286 1019753.8128016 730653.1827563 700038.861314079 613312.355653182 1627777.34530897 731044.114188527 664016.654601741 892411.18322762 986806.842445828 1346217.18725011 4324295.59966725 1783256.91281238 690796.569461636 760312.062553733 938818.186513222 1045582.30799167 923667.128273795 797168.142332628 910308.55909993 890702.998816389 5363694.68735122 2746306.02889263 683912.70967672 1159594.35181569 933115.394667004 848357.183136021 918198.777622157 3318402.77250527 878841.604044059 1417708.86481012 1384980.61188444 1374316.41027382 1407507.20901376 1408465.42080987 1433726.7716184 1383101.36504305 1392315.24031854 1333648.56162182 4158 11440 18896 21246 9054 2009 14358 13386 1850268.18871179 1803573.0804916 1798971.47479829 1821171.56390151 1892037.8413035 1828725.9944004 1697914.69357284 1405780.2757361 1431743.95453617 1441457.95292808 1400029.96747479 2763200.87127008 2785434.24473459 2541028.80311724 2541327.15593477 1079694.94084848 1084751.71684222 1038668.13936971 1020125.24779773 1141422.68030015 1195985.88122713 1067931.42356671 1074010.08878157 Isoleucine 59255.0812719962 63192.5730228033 106978.960130133 92393.7351372317 139617.549308983 156887.846917373 72369.5165935308 64056.8795203836 44517.9665142246 35470.4672892389 62777.6055104205 36850.2434564252 56603.3115108081 47457.5458626114 59573.5157999247 53490.9693474396 47293.8738912205 35276.746235533 50062.3561155193 57985.390106134 35736.7320333753 77975.9606841157 67577.2544876716 32264.2108133263 45628.7578369024 74745.7706905044 43014.6173002204 31858.6000788482 56671.4108957545 44931.8481422451 53684.9893066905 60110.27659227 62609.0698754417 50622.0904841011 26276.3197753374 72587.0765107811 60874.1263809522 43986.1066377817 58508.553102547 72894.5088058035 54030.3473721522 34685.4429412075 71807.8767730534 49171.3648424221 54476.1814345001 48650.5858177964 54088.2386080703 51310.0419055976 73465.1658887348 68187.2802652102 60102.2242961499 58636.4663163558 60264.8003978094 62056.0152622699 61068.7553527582 60630.0392702818 57757.4295156676 58588.2678927518 61934.4051955448 nan nan nan nan nan nan nan nan 61401.2000360913 70167.7320366704 76564.8442494586 73011.7791300419 68302.6897277477 71712.9237353663 69952.71583968 53725.4337758853 54507.7576702849 56812.4065874021 58394.1079229277 56777.4222071823 56851.8478745475 58007.7417330738 56916.6207547969 65466.7267291277 62167.1208353845 61011.2150256129 58879.8137840691 63502.2077585972 67666.8411552703 64489.4793123078 66680.8393163 leucine+ isoleucine 222187.729196642 228646.304311093 366761.657858933 327585.088641716 480976.217464659 553547.804193738 270753.768378202 240915.547654112 172960.102230538 136223.315948204 222138.237355684 131138.103759383 196916.181241038 156121.931251373 212893.046258986 191536.608642503 167771.724930474 123983.548251833 170593.862227736 206999.002444382 140624.240333753 288973.344965378 240914.417246653 120560.306142434 169954.269312918 244591.257996675 154595.631929825 120792.409022627 190199.703692184 161937.3812904 209267.427601977 221711.665029003 237436.660219126 181853.444871238 92082.60438063 250305.218164181 230480.798816045 155787.384705175 211036.543779104 267348.996216093 195869.547494531 125121.657518425 230390.289601894 169520.710235784 175093.756462488 188115.598495479 188870.705828562 168763.321706127 247624.910246193 227028.164047844 207055.42398405 206241.228126131 209990.625836731 216042.036006281 206655.63392971 213780.082802539 199624.12811626 208675.719220179 210117.218167886 nan nan nan nan nan nan nan nan 231171.810170255 258554.448241846 262352.899183696 249594.882758992 243298.275399161 259030.137376347 254857.623594033 188813.735958082 199318.075635501 200682.711938939 207586.220078192 201469.405091373 217857.931852548 204299.339356526 204318.879472767 244512.783575862 243246.558203825 225770.177831516 228014.682166324 241047.727973326 256936.843982907 251743.722876044 254703.236099178 leucine 154441.091906677 153354.28646952 247804.863391791 225287.458541694 331364.570137853 370485.321587499 188580.729356907 173491.510930842 122180.398966155 95066.0618835837 151853.01130384 91224.1357671871 137775.957935124 102017.732371772 144695.553093401 131767.937431069 114050.81807394 85188.6699209476 113716.565300048 139937.638234679 99264.0674568582 194609.216273075 168072.509014123 84163.9554725437 121091.882286034 162435.351043609 106260.668862894 84666.9571536242 125786.805823786 113609.677930042 154706.743970224 153941.789878792 168827.399689228 132160.414634146 62415.4780192267 165235.714013722 159438.624414147 104484.877208199 145714.081199032 187176.023356384 134618.962010352 86559.1535666021 151101.37517205 113551.72264829 117461.140133582 131107.720642268 130211.80375908 109955.792564277 164356.063061639 152634.385693142 131910.216906462 133275.835013412 137515.0719688 143738.96006954 135671.544884422 141138.674557895 128304.385308442 136849.069061892 139836.700079393 nan nan nan nan nan nan nan nan 156288.330929745 160747.12597586 165895.475801615 161443.244925603 154524.93109231 160812.450502303 153907.984258928 121210.961979481 133712.816416033 130259.354613178 134998.0383645 132174.820805435 146784.062755985 138017.101988988 137071.451289682 163286.788895318 166977.4849984 154937.992418619 159267.909128271 163317.529378714 176092.358087706 176392.347353912 179233.077278178 hypoxanthine 463956.075376492 254148.90355048 196721.077349693 202097.7782306 470013.354930839 290755.896992234 303056.815331656 197161.004843479 312702.639483639 134419.85473172 422098.790737145 145933.840758937 182851.806055397 227641.476891461 166797.143988684 100009.475280816 257711.257993629 225289.218638137 403345.295457969 325149.427932655 109155.480406854 369854.983791306 304879.96628245 377021.536459779 148517.076319744 233360.245272806 232825.179215186 109833.032576196 210138.890726487 191068.756878773 389058.097035368 331264.966107193 339421.280647788 118865.521285313 187681.803187762 231027.983814975 235984.9439973 267664.797398024 289200.86875846 276159.683954402 141169.569735072 595574.617297564 207496.909310177 230526.159520483 404093.364014112 217801.650547 239994.681951664 263290.405657735 260477.366047988 287489.292660748 333671.735840207 317262.952928243 315089.384153693 319323.552575623 326030.438015552 326824.802716409 315816.384817785 316751.959850945 328905.954527159 nan nan 5884 7071 7614 nan 7676 7300 2107028.06760748 2012814.33114684 2019040.50147336 2023973.22091769 2103285.42477878 2046313.10419869 1953770.02223951 321229.158608491 323918.79693971 330082.644954531 318526.661994656 2141715.06015894 2104905.83281691 1932550.87864878 1965440.86035596 793144.545191232 792307.573427551 758988.007728227 772447.076883753 761052.714277652 780202.607600701 748843.896096922 766266.99701331 urocanate 37205.4668163045 37829.9610737989 102022.14211136 87749.4405260216 106407.630141551 56096.7314429462 38117.7168824198 52134.3512784406 31116.7157448013 33521.4500336579 214626.922198001 15607.8339583152 24048.0825121106 10129.1413773935 57317.8399254807 21933.9467182988 36218.1363177987 29842.676424417 32201.8999822449 36340.6685464305 11587.8055995716 43210.0615682109 44532.102993651 14069.3314140148 26425.6674979136 19729.9543575118 34305.8959158655 19762.4027392763 20251.1639952087 24223.1825498942 25504.9992136776 28473.0479606895 17248.8440764692 22678.4457533563 13082.3599992115 31152.4514554592 28421.1126908636 16113.7870972884 26874.3195349518 33109.0915319763 16963.0822608447 28032.3571315166 21993.8740558887 17229.343721507 503110.98178641 31072.810079102 19581.4348030636 26953.7060437174 23003.754261831 53148.4527875243 59975.5316972505 56634.2111523363 56162.3161965283 59357.8451509883 57375.4225160737 57055.0681008447 58385.6434233647 59890.7804281034 57656.3673587881 nan nan nan nan nan nan nan nan 144475.099263427 155642.624146808 129797.850097382 131698.150579165 128748.334908811 147197.807282871 129484.296399184 55826.9692349655 55777.5640501625 57888.8403217264 56115.5498945681 51993.2526027966 48326.1019842692 53945.2775434223 52353.488105878 40795.701092001 39413.988242949 38862.1732567887 40503.1059766974 24481.4571879753 26268.1968889056 25539.3353184001 29958.8482319824 glutamine 39426.3893371566 28618.6461066107 39906.5053560029 40006.9001429117 65383.4188704894 47515.4806972641 48524.4406276506 44595.3884306609 47221.9425641392 33130.4599411064 21401.4699466658 28894.0343868221 27273.8443284551 28414.1795576878 19396.7568239137 31328.5358438148 13510.2704461217 13657.1442330578 24860.2878448989 35022.2970850772 57518.5281821297 45458.3818296587 35790.3014145811 29794.0909780867 28662.6542387783 27293.4387976823 14989.7667455085 13884.9282156595 23489.7357974616 18094.0933732506 50490.6918660243 61022.9079217371 45700.2060576506 31920.7673561102 35080.567807913 36922.2848069824 69645.5392723768 81586.2399927373 30726.8056443125 51143.7401386458 19771.9582663757 31142.8333363127 30575.7629924822 17155.4165892553 18394.925081196 21029.1358631538 24523.7173328068 20113.394430548 29011.4107089428 21537.1547793001 29805.0989420693 29543.7437332638 28063.2466792492 28659.5327746244 31108.5134844947 30444.5277569974 29395.4635699477 28690.1226130435 27662.3068855368 nan nan nan nan nan nan nan nan 32639.7674974721 32456.89632594 33527.6951317318 32038.1944751023 34103.177139891 31218.6999385262 32913.2915693082 30954.9310075907 31424.1923127681 33007.7439312271 26573.519311152 56207.7433666238 60102.8880090403 58197.2416936042 56968.2489912154 50682.6046444571 51538.6108097003 54175.9825812128 54446.5047891233 51361.2510330912 50012.8243952791 52462.9671172379 49806.5713610228 lysine 2751.95653974018 3028.49450374649 3547.69658885667 3037.84252832814 3726.00474818313 6124.99472455746 3804.61799704361 2270.05042657081 1386.52742324946 1271.42125855743 3296.02853038123 2323.72545069101 2370.55692329552 2302.10421312594 3082.93677206488 3153.3513212735 2412.84234219679 2090.35381919327 1528.97162157141 2239.52607750399 3177.4091142406 3712.82232879098 2780.55498757576 1563.69632620224 1672.59888233974 3781.86287476487 2093.84603065226 2009.30269120779 2411.61007485204 2341.80330107806 1829.77561016942 2840.15304472418 2847.20905955993 3193.24597484859 2227.85069433435 3309.36204398423 2881.9556741906 1719.71168078016 2427.33214681445 1628.27240283247 2873.57846242303 1988.93121455941 2983.01792595369 2804.97360595819 3862.50510001617 4175.72511317974 3636.13702679072 1530.59253232716 3986.64826579593 3635.27970173084 2757.15406378867 2097.32831919406 2436.28013947131 2260.07067487877 2497.70539437802 2605.62388240547 2279.82051624825 2831.45383403305 2231.70991573548 nan nan nan nan nan nan nan nan 1688.43134658231 2244.24434145845 2501.64096617843 2086.07859299744 2710.26062136356 2657.10303906581 1470.62619628922 2540.32512511574 2131.38612944286 1829.7037064554 2283.79580396806 4556.85205586117 4193.42773097317 4324.5351342854 5026.80287427605 3580.90172299204 4207.92839611176 3933.56389688303 3499.17366882963 3751.23649174803 2957.28610679679 4020.88449958018 3114.3089781975 methionine 61628.5704411324 67719.1046749515 99020.6137281035 96030.6930441901 118872.108154295 122429.908834227 69598.614040159 77000.7171642735 53528.9038756437 67992.8037661925 54907.5157346014 57533.8595021065 66492.8953644485 61106.564468724 54028.810496942 76103.8430774303 76081.7486686659 58591.1231560616 59843.5242432749 60523.9562154295 33512.198205718 76580.7246572856 63930.0477617297 33479.9464227621 49209.179346569 73312.2688121356 55913.5560699755 68355.4883022866 63572.589115473 70602.2439173479 65148.5223062648 68785.2785160588 66821.300876236 48216.5260230217 36496.5544447628 63284.7992268895 67884.8340938065 54928.7731475796 48152.7083635362 71539.0553575017 43293.5117829563 44994.284784082 57766.0332668258 55168.3273999706 56511.8391387078 68700.842859564 69115.7374266498 55464.8074960945 64152.2540686119 59892.6539394022 55783.5127727572 58080.4461576009 58665.5190211137 61223.3576452093 55361.8712480366 54923.8086791258 53359.8563482186 57210.90887503 60258.2642113922 nan nan nan nan nan nan nan nan 63568.85931648 66086.938127009 62008.3436027663 70238.7617549069 79213.5783889109 66020.3530249623 66295.112577849 66076.1362832188 57172.8949951316 56935.9488632745 51467.2887504405 40793.775162004 47218.8417810733 49325.9098346978 48697.2192242618 84308.928774397 79084.9124284047 76655.9734082543 72623.3956432413 70945.7153973317 86498.7726274847 79015.337671613 75573.8266215785 guanine 214039.202724061 111506.144832968 493247.714981296 212267.75013875 570195.494559777 591274.249848023 247574.873681498 251610.770056415 118323.370607574 44018.3546117867 96921.6069369247 39034.7003004057 60774.7918197333 50838.8793641023 69910.4296804358 42834.8237229107 58471.7321474368 38400.0521681105 70500.6569228139 50102.6577273386 45100.4058336069 215948.92355618 117989.873107834 62926.8636999618 83835.1748513833 47864.3928469717 48985.5514986797 31631.9694030703 32574.7586388305 88536.6833175792 129825.387463523 170441.056617769 166786.493305693 27740.5531312567 24785.8046908366 64806.9630131268 160535.109920561 85720.1096032745 138408.604515076 158760.882077168 35606.9175581951 58961.4146034904 42070.3441555054 44483.762057833 47129.482998465 45613.620003267 41216.9186770603 61699.975753855 55619.1164315198 45031.3783809287 130307.674044064 127056.03045913 121424.619653548 135825.751093116 127894.779632419 126184.555090674 128233.350124429 130570.424292116 128114.032721517 4029 4013 7027 7083 6129 4816 6783 5900 576255.48961758 546175.344227768 569867.562840762 561437.929704182 597608.983051803 590581.355738236 590213.702636829 126720.221454845 128459.590568241 136593.850688761 124930.373876904 549178.940024276 544480.18276632 525214.045694319 539186.807034108 531054.262010691 529690.183719774 564874.349537604 561892.171458218 330312.780208386 356113.829735302 350412.219486709 352497.37805617 S-allylcysteine 952571.514089303 997207.892861215 1782450.85399237 1182602.25449638 1662223.46339674 2055645.13980976 1401673.82290804 1334977.6051393 635064.445160962 524239.892102824 890853.152942124 371512.030189766 664715.431574263 409109.006245525 1029686.2744472 542853.474258333 668471.876234495 387269.050388931 509960.029393478 635259.201908211 499808.929466715 993378.022686311 680731.908971427 471580.302082733 544878.966738201 578935.378022406 748406.356500796 356249.83899005 500997.455724158 776720.952064658 671784.861073605 778245.605252823 748342.814802533 383928.076990442 240155.855445209 881726.254330216 847434.239712324 575909.090091586 640901.4425795 727975.936269672 464793.420472367 379674.432346754 562433.868751007 460743.110886889 590716.410480557 479636.171879347 464597.328701144 572309.304469158 651749.534642446 656269.785522444 488235.997649692 468663.110500572 502275.674123717 493616.045187375 509579.454754834 479455.68599776 503243.340234186 500714.411065388 477363.595466372 nan nan nan nan nan nan nan nan 10044.0703601891 11040.1637499768 10897.2629266754 11698.4478079518 12761.6773865109 13024.9286606042 13055.9289499061 482833.688210177 497290.898016076 523882.283274457 504752.094051027 103404.685994305 100578.181166548 84324.7884908419 82134.6645953894 156641.662496703 156502.9686663 159787.543624791 154525.142863403 99867.0085863417 96121.9940573344 91392.6495637563 92799.2021550501 phenylalanine 339775.198815755 344255.763916106 532947.832389863 539575.053957057 693621.475622702 735472.089030971 390320.363366307 350829.983450282 255187.969262423 228902.877046407 268282.902526015 148109.568169761 219941.706064225 169014.702385896 236301.311079201 222128.77159093 204023.634244491 160022.501046395 185279.920566136 248796.813746697 198284.615883447 468701.77997006 344341.989450622 157333.553522828 235558.728387929 278427.123264575 169818.306261606 154376.191000102 221603.1900619 192067.589080584 337440.731834085 324217.959223105 376060.69224062 227497.744477785 130100.153996381 344543.563427483 343175.774022353 216422.762547386 322993.473295655 380464.559623468 217264.0842859 153301.710149251 218313.242090882 170610.143398833 210281.608650036 223911.023737528 207051.923132273 212138.06987444 265317.40008128 244322.752242656 265587.206112983 283105.499404916 282521.325502394 293155.763787303 288144.503034733 300628.49844976 274381.360961982 286395.914631409 274092.874632272 nan nan nan nan nan nan nan nan 387446.000473362 384029.577967308 389528.534925376 375907.814522742 391190.227114524 382653.669830541 353649.588048938 271605.550303918 272625.488619377 292259.257350728 265617.818333771 326337.933911931 319031.544463021 303884.197688153 294191.018420979 424222.29147897 439605.788385993 404959.842556442 412246.156620441 367605.4590628 378507.836474797 357249.122589316 359449.294993025 urate 380430.35981612 348656.684770782 414669.491920365 311281.602799345 468654.153871233 441758.412387185 362259.597028147 259215.219666964 187622.251995935 114512.976613481 199910.722408904 108060.925526671 132876.302441347 103458.696896506 182392.013062786 111465.518246158 134168.625949078 112206.309350483 145372.408232507 205560.050386483 116990.217443801 294559.427918753 308696.990233099 160614.515540979 161440.571277535 164167.902478377 159393.546141393 120619.650800352 158924.41904406 152340.986803945 314650.115365795 252780.679630685 310023.793303172 146115.379579934 93760.052328058 309678.754083821 209637.585432294 139056.444264111 244899.28203481 223964.73227993 148219.453672095 131762.146205284 141908.941782879 159140.382719393 177887.180049197 151028.657255619 140929.303970013 148203.001584933 207068.361140469 199994.626883909 296292.275221322 296230.416777925 293642.597792378 292850.25796823 298993.97679272 281734.005741183 300636.56990394 284183.249224105 292864.702828062 nan nan nan nan nan nan nan nan 1477750.70726082 1373906.82398951 1353783.58032532 1350989.06630261 1320372.02269769 1324771.26662402 1350877.89344381 270390.010522074 280057.334904553 266963.95894023 300457.883871341 839524.980811961 828414.611976774 742084.127285633 769972.668756062 1782667.33613351 1267140.06519179 1038539.09705921 996774.94955768 875080.273541151 814263.170103114 737016.787176992 735807.976921962 pyridoxamine 53389.8263956883 63334.3339931087 63767.1120482171 59374.0953127232 42317.6336078043 68878.5177994383 49797.3497394294 39915.711933494 37376.1551020969 40643.5922174983 57651.2515811777 66134.8150929665 53199.2017003072 55450.7086936056 66989.3302282139 63327.5183546001 75707.5180373473 58931.6866506436 53656.5820858782 57315.9581750882 55362.0408393724 55807.3493944557 50690.0732294204 44479.0312931862 48917.3837980478 87346.2341162083 62607.7060182763 58249.9588644644 62947.408902286 57852.3806351157 37831.3252558245 44883.529602721 43139.3527830187 67050.5642668459 58368.2572347436 73116.7067103727 37880.2726926986 31968.3929539766 46331.6049913804 34466.7510938151 86966.7669173317 41155.3548624992 69974.3851686079 65101.0244789236 80552.4218641985 83691.4626786575 76054.7732418706 62900.6100838683 79931.549760499 77799.6716489403 58405.1500592819 57047.1362107271 57634.376905016 59498.309295172 57521.5951872814 56517.3749021055 56786.4291465032 53863.5714374702 55174.4776243733 nan nan nan nan nan nan nan nan 60303.4580259853 58903.8859188304 61260.2656495415 62557.3405655677 59781.9629037207 59543.1591304454 56337.8219611007 57735.6835376505 54749.6488980473 55635.6282049437 53270.3936849884 36862.2690113047 35973.8034961221 36493.6105049965 34512.494094314 68736.5763986923 67700.3583042894 66222.2672569562 66555.6623658438 66538.7548460786 63995.3521861145 63210.6748986935 65554.2196864944 serotonin 51542.3690367264 31878.6503117396 59925.151772049 60340.5135442807 83681.0607465788 66247.8254176141 43878.1907814448 38424.7683137728 30467.1371552649 14928.0956299915 15039.7857272837 8906.83955447575 8200.35909180899 17512.0813323807 21751.7111437266 8878.10087549208 10789.3190661988 10450.7923902353 11473.996340563 24993.5382523069 14585.05246659 39066.7130644838 39889.8980609208 13188.8197585284 16368.2493443598 14109.2297381842 6359.13495919608 7233.59201714902 10807.3945455441 15998.0133934186 55473.2578164908 26129.5098340588 34831.3000452433 8892.42515744494 5108.07225633901 22824.4623406131 48996.4919797323 13326.8455806642 40317.7493252469 46749.1996367785 17074.192305231 9397.05894335307 12128.8110071967 16704.2252385488 1127.39861524595 20595.2696145737 10699.0397588546 22210.8719692127 27488.2953871515 18393.302568911 23025.8177712112 23585.1679842788 23957.704728257 21223.9236399249 19034.7593798684 18864.5693490877 19633.8078525853 19667.9184434822 18257.060632785 nan nan nan nan nan nan nan nan 38010.3608055526 32227.7637933374 33681.8099562163 30443.0362081933 34048.166265592 36746.85117418 37810.7665591799 26507.5709097555 20151.9892377279 22594.9741010058 18837.8343016846 12272.7125798757 14685.9573511145 11818.9806948308 12128.8350999771 54940.6075631208 52769.0082866762 51167.9162728332 51997.016097289 29794.4798298827 21592.2532450745 26145.3100665725 25432.9726629611 hippurate 10383.232640837 18296.3659831216 21386.9952322416 30658.5793807255 27362.0465547738 28400.9023381815 21538.5545495863 13690.0517144932 23450.5623900424 8509.09590960828 19691.3983273517 11932.1483548977 10046.2088095833 7781.10265011171 32402.8118976367 22876.3834401634 22571.8810034972 15851.8033720915 21284.5918083065 36803.1580915042 9711.79223640045 23341.2829889824 14340.2577838249 8877.18862191455 10883.2336418435 13927.7750910202 14648.8550919512 9534.27901914923 11385.5600606997 13954.0499333022 8743.05560429198 5243.53149145043 4705.86095069605 5659.66149449044 7003.91631079378 10410.2686378883 15586.4766352436 8218.40715257161 18309.5462709318 9639.62882643186 7913.21539641327 8161.40950402138 5584.9798331418 13386.9781847113 11974.5864524577 10461.5830746828 14983.3878566557 9235.65156950017 14547.5287574518 19591.1114839983 17691.130078926 17311.9545274489 16316.4816552423 15735.9353745997 15462.2304808206 17898.5878693161 18175.1585125945 17661.8769287484 16551.1881795665 nan nan nan nan nan nan nan nan 49706.8620231377 51234.0805809013 47550.7733884221 49109.4679056551 45146.2707928957 47781.4969999057 47804.8252592855 15944.5803999099 17102.6354989183 14675.1521241948 18132.448648579 30464.3125531049 28405.4076450579 27489.3698372663 26652.1187382927 64960.2362499052 46377.1681159024 35825.7567731072 36554.3303911456 28581.0432664975 26830.4755537273 25315.6385501504 26192.5091704214 glucose 554181.363800087 559968.020589454 634777.605241817 618840.412218979 683542.394741256 680853.981705804 655692.481633693 600961.629413325 687847.919338134 502173.73342557 315942.390813396 339008.949658669 305776.648437389 259192.945231239 337331.789669234 290891.805726082 384696.640543569 252308.757417803 207061.669547526 199548.253033698 537048.621472497 695018.485061706 600973.061777937 443658.376243255 522231.214877909 438527.723111778 301218.790768734 297238.339466816 397581.535496349 308756.069351602 664525.362118463 547455.578167852 621026.971459978 485761.605222009 348676.254447961 549233.076877847 683951.633031855 608540.852669044 532120.059885613 549976.943202257 377532.570102487 229618.445534704 295279.891911041 242829.52989623 296394.371048595 350379.897732547 347851.516629761 306272.532049971 324058.390774941 299456.880368561 457711.443325676 460953.584181632 453518.082190789 462994.284572424 460024.027746013 454434.728832346 458052.277043706 452575.212570697 454262.810670096 3591 3546 9749 11916 24427 6445 53932 52280 278807.682752363 285359.757265751 286169.633878606 107182.97301222 279470.118742942 278608.318394157 285996.774575247 457488.291103015 462512.75061513 461983.549820366 452765.790101813 114685.354442309 97791.0849696993 260395.498917478 92206.788837623 535234.86902697 535428.861521959 552587.803017057 553804.384665128 524753.194025068 534595.973185017 498450.169579412 519010.634636022 tyrosine 123408.778236696 128942.561638363 263042.184474633 255523.403661867 346196.385936728 396736.870319741 177947.647635708 150400.22891235 104147.036501443 76884.0224511634 84835.4306086278 40124.8587587155 73639.5899384809 54655.5527147203 86251.2353371646 75072.4714618544 70200.7689025102 44696.0225909177 67678.9507367867 100925.511014297 66962.4440566473 215641.604328419 141903.151867651 57659.9797740862 95826.4730833103 91060.2687862144 50867.7830968077 53350.6952383872 69006.7146858611 58433.3928051973 142317.281384317 145213.556062992 158439.396185522 70622.1686660225 34657.7205676673 110964.847624431 156354.621607552 93800.1386195889 128464.634980453 170729.249671785 70279.4550803892 51128.6440950653 70886.6186625853 51495.6285299582 63663.2933509294 57600.6120871019 67226.6078742905 70567.7827922947 89589.4070372808 85637.9341885532 113794.361617366 106192.820990401 110597.701132426 113585.51790941 112547.10678593 114679.249160676 112482.883457938 113483.440482609 109861.441614907 nan nan nan nan nan nan nan nan 186830.846328332 188949.392721556 186320.69047641 191322.536184973 191340.266587075 172834.01155608 177389.94535943 113881.324737444 117881.509637908 123133.137693276 108407.26810734 177558.737454267 175171.648656876 167875.107317212 172030.478830003 238077.231587657 235645.719124725 214011.682799246 218089.584787377 138992.08106134 144576.061808125 131334.24440059 132789.60921187 3-indolepropionate 17820.2388298314 36218.9608462085 44350.5657103261 43535.7175138004 77898.8688704574 148037.160804474 24734.7347490355 24720.7985874402 15788.5219486148 16025.7367231923 27291.30403945 14434.2596104129 18184.9335190997 16849.376228395 22181.5697439711 31405.9097871041 17898.1162896913 21122.2961497553 20225.5989999092 26069.9607277475 21342.8429048676 40291.2044006917 18194.0072675607 16015.5513279419 23235.0854188729 31245.4438923334 22242.5753920878 20325.4079478934 21265.324786959 28087.2137199115 21779.2569413617 26109.7181153039 29735.1883583883 30224.2219716611 14992.0007255333 35321.0756617547 32209.9148171439 18077.9447418597 37329.9352927039 27579.403905747 35831.3272977976 12850.5550298727 21214.6092375162 20602.3536057878 18055.7788067389 24581.164145548 33478.2329582208 22229.8343010124 24291.6255197066 23006.247539124 25350.2578266763 25854.0923666646 26581.1594333555 26919.3986750629 25823.4618541531 25801.247671089 23913.9040627184 26306.7801671071 28396.9101067516 nan nan nan nan nan nan nan nan 26180.3672444259 24968.4202290709 29415.9182802283 27362.8995509986 26872.4573395781 26957.9456360893 25958.2378959619 24005.2582255729 24796.814010199 27249.5919868265 27697.3514582932 27041.2838952141 28227.6269466348 29631.8021044697 27499.2562900392 20455.5006800247 20069.0382287164 19544.8956126376 19198.8291334834 21597.7917937975 22604.2249548856 22123.6776452243 20705.7728701436 3-hydroxyphenyl-valerate 18749.611548793 23294.3164185736 23738.5266493662 27267.0776778039 27070.7198591028 27629.8506101083 26380.1791548827 23581.9545170605 26651.1857177049 28236.8660671884 21098.0382688747 21599.7560596716 22090.2886835893 20167.0230303745 25526.287437479 23196.3702760517 25089.0700782016 23661.7464878686 19910.7933954742 20287.1686367786 21167.5200131231 25227.0118746093 25056.0409366175 21969.5821290975 24701.5381920185 22431.41576069 24291.3254301556 25003.2224829567 29010.6151762614 24530.6489404932 25281.3177409282 19918.6620040343 22651.3639939995 24241.6093165883 26156.0900717722 23643.905544797 22188.3102018824 24905.4171524183 20332.2568982141 22782.6384669358 21844.6158209759 24538.0060299769 21580.5858188927 24661.1693826579 21136.9903519531 20027.0870911794 19933.8740624375 25219.2879058285 22968.0768868188 24272.6853022767 21989.3401138391 21106.7347359504 26104.5071308608 26166.0847676358 26892.7812313196 24540.060261538 25758.4964830151 22969.2644942043 18680.4192788588 26393 30784 6162 13102 21163 25372 16486 21333 23626.3296010757 22306.1145386598 23295.4370939437 24357.6569175029 16612.5124635962 18684.6515652519 22327.0326228479 20252.2384848899 21708.2242175972 18815.3454950904 22681.084907169 21099.0919321587 25019.9388014604 24561.5205416453 24180.4705006783 11891.7495460091 15674.3378245932 22825.9464859001 21635.1553630008 16798.6781317812 19839.8871354674 25144.6077150951 21514.0634497297 Car(2:0) 3212791.54890054 2569702.7104762 3579854.62571351 3972568.44721078 3365318.14267177 3342834.92959494 2916485.26945505 3137439.97393599 2053799.36364681 1838636.89573343 3830304.91880356 2127239.87727535 2772530.71887255 2634944.41376082 3884853.62663414 2025802.10834007 2328722.69081102 1487723.53090503 2983875.44873036 3098072.95389181 1491123.46365675 2336203.45600343 3442508.04889405 1691902.59969257 2212541.39433174 3242123.17892926 2154742.31515357 1621890.21639898 2596072.7151056 2451968.4985132 2916537.00965457 3076865.13308518 3059579.47258344 1955511.55922864 1252570.53173934 3152783.68479499 3041935.03081815 2195060.76660277 2589473.17498684 3861706.39356401 2182669.17251097 2714276.21764643 3012286.08869252 3202072.30550008 3179424.57964488 3053000.89982304 2869965.67737358 3917939.13828098 3419484.6987271 3134946.37279869 2492586.88664623 2416612.23361671 2564523.46814062 2438156.21351817 2512208.9520388 2485375.96039667 2446244.67012807 2425570.90993044 2328816.63424579 nan nan nan nan nan nan nan nan 3861896.85072377 4029687.9460593 4051876.82017091 3947181.92963337 4237143.05923177 4012314.47942116 3929274.54208251 2562550.57814287 2583617.26039261 2607506.5711089 2380594.11141531 2206307.44842447 2240500.2380595 2283142.0143235 2296278.72045082 2428466.57980075 2433641.186434 2281997.61272724 2287186.22858723 2272341.33553269 2127713.60605305 2225590.36121223 2296816.40012672 tryptophan 188049.760878607 242386.893141879 446266.474478847 346353.947691385 516523.191610993 573389.301611233 291075.351979766 278428.869624205 195887.172629634 152453.782643804 191112.358527405 132739.762545349 173741.940701086 116665.846140409 188832.086534022 185289.643594133 156377.449666095 113892.185662783 140935.119594966 214486.773935016 156879.774032939 377216.844394352 246352.243220746 104465.960350129 151745.789341044 251646.421741542 151204.797579341 115504.361746298 185801.385845825 137020.671170016 253849.344593123 291324.372354779 268445.975697083 161280.367127492 94015.737363712 238037.060644324 300765.758009222 182382.065412211 238404.731576358 289055.592185545 173058.49537689 115038.623910178 210412.870776617 147766.41965165 141081.388039555 159768.628567411 169258.370213798 183241.925857412 202188.681455614 205248.988407052 250770.058220849 228071.496458192 230017.989848604 243827.291190555 240205.84433372 240320.285054373 240640.474314082 246345.413888043 243322.034398991 nan nan nan nan nan nan nan nan 265333.125454481 243237.9654146 236118.498975297 239829.747414172 248298.622980176 235186.798207811 246499.276737878 240076.1047839 238131.865634746 265923.555397307 245615.498077883 245894.428909151 241385.724482884 226426.922386387 221329.662280334 513651.572456301 499251.775677496 497863.916685405 495686.028081218 283869.460180185 295926.010693561 273674.837636914 280553.633963992 kynurenine 67359.2714081835 133207.794422661 118832.609085976 113781.361906216 155615.16975888 83369.4895848547 68510.1770472914 65694.0799930986 24264.4310931093 45008.8581948211 90381.7058421214 40040.7523656357 39014.8941314855 27475.6970470033 133625.69619051 24625.6974819785 53481.8919125634 60627.3348057854 97205.4654973677 88183.2174657865 11647.4617498979 35900.2787987413 136821.308819815 14283.6994838412 72518.3452434816 27689.8913490925 113055.95731862 33255.3526127627 34181.6643995392 68309.9795190251 37377.3651079891 21716.7963516682 36144.0949381521 45209.0546767083 22408.8743584507 63627.9676326643 44256.8740853438 56001.0243939624 66321.0617600116 39133.6853473158 41875.6007133206 39021.1727361635 77571.7331734305 82269.2263511504 57722.4413374835 105087.43189252 45949.6306748254 73520.5471244712 68323.4002244691 151882.332105796 61530.3605809699 62113.8182476648 60302.0868426701 64546.298296776 59847.7669511819 61000.7089684524 61976.5317981937 61197.5351105944 60905.7427121071 nan nan nan nan nan nan nan nan 81537.4302065704 80076.7730459629 79614.2390496872 85111.9737166658 78368.0958938218 85545.8522438635 84082.5468190531 58781.9995270361 60118.7093068625 60480.0600763861 59194.3051348833 85820.2228501843 84861.8268973627 81443.8806961783 81859.7350712778 16100.5711654432 15325.7489493233 13760.2497159417 14349.5052076226 13104.9587432877 11921.6408252411 12736.6553199655 13232.0152352773 FA(12:0-NH2) 27492.3612017816 13065.836551733 32070.4877937872 12398.6534744359 7315.1513630849 11547.9296665027 12058.5224030149 10481.1916376882 6015.26601408373 4059.90806085635 12320.2370092067 4043.14874614111 5387.0294224334 3902.67444397975 22292.9148669688 16357.1533653113 12049.7137376154 7801.81619622909 13339.5563777487 23552.8078980528 18426.0218357881 8010.77354628555 3092.2575933713 8714.93031913576 13830.5025834526 14311.7108570404 30566.1683545729 6830.34702851081 7285.07099478775 15982.923896161 6093.06971166241 8565.42225175914 44806.4917358917 11003.8600023979 6093.49020796835 8856.15816389862 5846.24201754555 19802.4568244253 32285.2101494158 21098.0919752471 5246.31505775045 9221.56356876727 10998.7763804856 14045.983334144 10314.8774805517 14676.1316808839 16393.2452424144 4800.54378495673 28315.4706502597 9940.25885997069 14110.4404780809 13561.1190942817 12958.9163999805 14042.8348631229 14638.349809403 13614.1913255319 14909.488368249 15567.2395870756 14423.407162871 2986 2267 2291 2192 nan nan nan 2480 31620.3389237528 30311.4992326643 27502.5251348809 27323.8581948447 27005.0288620754 28317.5608733709 29843.1038469264 14178.2763004955 14252.8357194855 13066.0257940987 14538.6005905978 11543.5601263754 11672.6824093628 9372.61935370464 10720.66988014 26428.4448279705 19798.5186267992 15504.9985058566 14076.5998592127 12307.7912739325 10622.8956862 10419.3337695587 9380.97053342809 Car(3:0) 330696.594219622 255261.376634873 391959.147989581 319195.488527735 472355.411957658 561913.760488063 248102.563588528 252400.008684578 194514.619957289 178977.657797741 244304.145851774 136483.50225952 163956.901897658 131955.270773866 201829.996924867 193598.41013381 173668.710540992 164751.936172846 176736.14266828 228481.635291321 181525.095323217 317782.42338026 275801.157756095 153560.008201239 171877.057047903 219001.435038698 154444.35805018 121737.369471969 169071.013389183 172696.721986344 263878.170161643 262671.90111802 298496.048763137 201144.797207285 133625.362130139 280770.30469759 259111.001818704 216509.393792761 224879.998750075 316223.729407778 153969.281852836 175830.017777367 138082.473422327 141989.229560054 169699.051983311 189226.498301292 156353.488261003 208704.416368852 190915.488496719 160346.885459143 230328.507245593 232657.119133545 231119.235863964 230529.281677978 223336.814604816 226811.884708426 225436.888433776 225318.51379478 224524.742064004 nan nan 3699 3554 nan nan 3129 nan 478430.388675284 481278.536374144 496125.462964042 491052.471578725 482812.491656363 478693.629286802 481061.306759706 235629.141781946 233485.263439262 218201.005477567 223843.527586219 570927.068932779 563935.342219602 555667.682691187 528480.026789391 420455.870072429 418142.633601116 404520.494264598 404540.415677949 381469.507052562 384639.010073344 373752.454686449 367560.339142013 Ser-Leu 5329.10370888555 4748.98167756382 6738.28965893 9819.30286426774 13405.4040499558 8526.21874477264 9255.67136478677 6378.8873617944 6336.72525852278 3993.35275925807 2222.84450569266 1124.58854704817 2744.04952454304 2700.32044083013 3454.44401182936 2506.16442203764 1379.32879825054 1393.21445957569 1588.80835484551 2259.48115930312 2404.90054732437 5991.51148387062 4511.54555372251 2077.78080818274 2447.69545501482 1552.83666497029 1378.19937193972 1624.68706684253 1242.72762484242 1298.80909049406 5387.39229547764 6176.14978743241 6611.46362985412 2151.04564088121 1230.96309470134 4070.95521034009 5109.37000514966 3399.46687468708 4964.7998140291 5383.31783964857 1351.53755343933 4590.22150339114 2119.28517652569 1366.89973878454 1645.59187659114 1404.1979956197 1577.0526265887 1748.23380909053 3281.56478927543 1449.67236636116 4475.66452353039 3354.281934382 3009.76784263912 3290.35429847218 3108.89157657807 4260.14346691498 3778.4353530117 3270.52312789858 3032.08091557078 nan nan nan nan nan nan nan nan 6137.40417544404 5922.08487883122 5239.93247848102 6213.3937779441 6395.53275507155 6020.72574984549 7076.85146304723 2916.38708524884 3924.92492242447 4698.63807932403 3367.02048547079 4969.9190294214 5888.08003221054 7181.99835949748 5722.31750857473 5313.41189776039 5296.44411790666 4546.32207242655 5763.2263597563 4551.33352905241 4329.83485946258 3769.10975904551 3124.03799523001 pantothenate 736230.537612351 657643.805148774 1224410.51946488 1167496.89955749 1685015.79255578 1491551.13697818 909937.183935867 817911.80494985 853855.105450806 612479.857946958 450173.140885741 322898.711927831 479758.417597138 449702.038179001 573228.146315086 481465.003704504 329934.677108667 408148.645947337 435983.445603492 453919.537722516 529222.814027185 1256738.01299382 768982.116197881 528756.376695912 723979.257178732 447950.353245419 436626.458985543 344532.737089479 371439.10699977 393746.587748637 1022701.88726624 905316.881493109 961215.192724157 527032.88748969 423187.008646635 631466.687130381 1041847.62485114 541673.906543511 853626.360109894 1099636.93215624 385929.852874694 251327.617001928 373747.693906529 372346.31612965 303354.467545413 430914.799161412 418769.620409014 311450.565613087 414049.651026368 381342.207277757 686723.820474421 656082.896249628 671634.453536174 679879.198205277 668129.370852918 676969.193030387 660857.362275595 669183.066477035 668438.572872002 nan nan nan nan nan nan nan nan 696845.226268265 693932.783436469 698438.073566784 705536.64053429 709084.896994922 711861.558921721 690314.343705675 654856.146842374 670938.094902841 680824.856879493 678908.208138157 1800955.61065384 1781345.62956884 1729127.31557414 1732297.42033571 704242.215287824 714653.724816802 721687.683228434 709349.646441224 600580.679511474 606121.611817929 596703.928078458 598509.742860661 diethylphthalate 38466.2667402312 60111.2065879814 32697.8870747119 27618.7777910279 30703.3621918212 27438.4741399593 32935.9058000148 25106.6327071808 30616.743991007 30486.0793149965 23416.4679394137 35314.0295944518 28453.7783717854 34537.5055990907 29820.4392559438 40219.6989331301 34622.1172114102 23638.5665620247 35911.0247062067 33753.1474383194 33706.4814859384 36704.900039871 35486.667277414 35844.6375592369 23802.3045181606 31563.6869852517 36626.8582537572 35286.8873625786 28096.9343221668 22087.2650422112 31175.6990487725 32903.7296569819 28367.1423847832 33033.1550751377 26555.9810481919 30493.9400880294 29550.0057522244 31271.0505624189 40791.0659441675 34671.5067051762 32171.3391286053 36698.8294703105 30658.3151516442 27431.5823224608 26748.5139472421 34802.4169184641 24119.3593750123 31894.9719748507 30665.0286442483 29261.5234081122 33613.9145995983 37185.6009337154 35720.1826453816 32487.6300726766 35445.1120420078 31456.1166424866 37942.7401826018 34158.3252631581 33104.5233600122 63580 72161 50270 58779 32338 36282 30785 30126 35880.1802558889 36172.4740321381 29761.1867253279 32021.8553782153 34749.0464474321 39643.1002873495 39647.1842408475 30856.6296326802 31788.3162628508 34345.9844115313 32197.3509564954 33237.8179138341 37278.8778038861 37334.9078083472 36076.2156264534 22759.7956810567 22675.2570817016 31064.7402906433 33788.6442017795 25179.2828496838 34015.3700209032 31442.2439056635 40337.7186071987 Ile-Pro 51093.6621996828 50904.3289526558 116971.193296115 88622.212977887 129841.228040276 214619.006856543 130252.620672824 82785.9206040586 85799.7830733075 153341.997795859 110442.777207846 109130.92785418 455729.717974208 207421.379298467 82872.9181222711 1179170.85638404 50675.3110146396 223040.594102467 527363.11971838 67231.439675034 154016.386980397 75343.3404450413 80804.84794862 21248.0768781587 30156.831715102 353277.224870394 51591.0061844617 36881.1739623082 42153.7932654764 93732.166188205 111985.453396723 1248352.35520145 342843.118998193 30683.6665098615 14059.4341617583 59246.1784123912 62289.1877628397 32987.1908518882 67752.6017688758 78108.2867312172 42633.9161834239 1173672.06860734 547456.065540144 60761.7539082965 172651.207868066 53077.2847445453 53404.0388305963 70055.6266954067 1030464.26228103 68153.9134796937 198057.835201033 197308.371719357 195173.804638282 200370.343445301 203759.498562161 196449.020188808 209479.238810953 205874.222288114 200403.661587759 nan nan nan nan nan nan nan nan 306779.930054981 301035.051784208 314460.08291494 299959.55756673 335368.079181375 315813.404309334 320714.031599657 187933.815501253 197850.284227027 205339.748985597 200195.795556584 381512.260654625 406229.915495182 402481.810697899 422611.564715451 104230.792627787 97225.8099288182 102917.488393426 102262.117894632 113001.97228947 112627.910598477 116423.070827422 121482.86286088 Leu-Pro 48496.9153156656 51346.7824668655 77858.6657389495 87777.5458291314 128121.82666151 154422.79496635 128055.816153919 86366.6237916363 112238.461444563 212352.974838617 75897.9763760956 117124.639571135 442202.839575183 261942.596810625 74439.0276599594 960633.635091153 47544.3537785598 240791.371909001 507280.574250696 73018.5376430787 265255.538546657 80964.69703652 78001.2956167173 31002.2747752696 36816.553332449 369088.460201773 46854.3863584559 42978.2750818379 42223.0271748279 92513.7194730921 149366.529951264 1234293.18648992 362314.573404121 40635.150425779 27250.9221663492 59310.7350580103 62745.3066186392 43457.6673831624 74830.8040886519 77258.0910196481 48470.6644128385 1047964.29857937 516965.086185134 53532.8797274169 153391.243908939 54711.034100852 55944.8156435302 62918.3429727634 794823.39714359 64399.3324894893 192778.313608586 194567.65326909 188099.998672803 192472.965032135 192467.709107411 197490.820537247 194178.531538436 194387.07825934 196743.986224293 nan nan nan nan nan nan nan nan 168163.189607514 170203.567549694 174834.437468614 179527.086174096 188512.095237677 181295.261487827 178965.066908733 186536.667627464 185317.171520026 198166.778947096 196465.797243466 322874.612604205 321744.750388301 326966.568502302 322432.176139501 84639.3459865937 87140.4819489467 89241.4716464534 89007.8415914256 87965.357300155 85202.0480248612 90184.9243961174 86081.6676376042 Ile-Val 8648.52359231726 5656.02831793807 11596.8595985489 11793.0426458256 16274.6308817007 13941.2385643038 12648.428678097 8514.65803809281 7254.27765581613 4492.88002381008 6326.97893814246 2570.63769367157 5976.78082735924 3835.83410231594 5247.83436407366 4308.16531677176 2866.683347198 1407.23070162374 4765.32478174233 4628.37772030263 2787.87421392688 6938.01976929365 4836.50147421757 3326.18439188836 2840.60509410706 4190.24639608156 2747.34487939225 2868.96874202528 2034.32167417601 3597.20559476648 6801.69335170012 4038.81602214884 6447.44956204765 2600.78140259128 2652.03299857739 4958.76483808116 4931.77158251077 3573.1758963057 6364.11810039102 5745.63456049116 3704.345074479 2541.62264724806 3204.11736672822 4140.72301519773 3323.20293474331 3760.37497918637 3478.63294440246 4907.5734251417 4249.84883295261 3553.03463371617 6569.17035714418 4966.86815111523 5411.27699619283 5371.53920888462 4369.38305454689 5776.50310113918 5394.9340549626 4889.66605640035 4381.37886280379 nan nan nan nan nan nan nan nan 5368.85445863628 5076.213427066 6932.80192140058 4663.80889777197 5555.94299251149 4803.18880951529 4954.01532538695 5211.68381441359 4988.7155565956 5153.94955908959 5105.94249562118 3778.88099271747 4634.74148876883 3594.89820165943 2929.22930024508 9385.7415904941 9702.42588498961 7728.30092960132 8261.99176247389 6478.36300650792 6313.79481125843 6810.37598173345 6216.3432052195 Car(3:0, 2-CH3) 431517.977728532 200357.161763409 721836.530560596 554964.499725307 1062563.65701551 1013552.15508787 555642.918885439 673887.733495956 401342.97069985 239559.891489233 170093.259814219 31266.3528652696 51235.242617705 28111.1223601163 92392.0475865221 83423.3509566233 48452.1090865411 51103.337216983 107892.76523503 77078.2247241902 113127.845220995 520819.521621185 584599.542117865 118224.969344456 218748.335550441 51156.0511266866 32907.9438735191 38521.3103202729 47971.5235011918 67554.385402509 685917.078311022 436272.613292762 869732.358116629 126083.32920268 18225.6459597924 207921.367890298 506075.804002971 282229.284073928 445941.614439143 593287.71349083 42523.605673765 76376.9251237609 31031.3752368077 39490.5345512132 48259.3328146604 43817.844171675 39151.9393036694 107811.10728752 57318.481166218 31472.1498852619 305825.111058017 317747.099668563 315143.632676682 317649.527950306 320890.016266423 303651.410367853 315534.549188339 311839.25988875 320512.20644316 nan nan 337 608 241 211 597 382 592594.660138443 534496.975482901 543132.209490468 554176.824996056 578686.872454716 541257.895356673 571490.07164554 314352.969527684 310233.885532398 309451.062957335 313218.131857857 352958.893821486 344655.837818383 329833.389648841 311583.448247068 3589475.22187317 3533261.20142887 3371288.70222223 3323622.7866765 1010245.04988288 992646.879678909 1015785.95269063 1026636.80084024 Car(4:0) 5016941.82938026 5815876.91359365 9146835.21167837 9753892.74681732 14345894.685526 10324666.308715 5106645.75029979 4531824.6324153 3888258.09303658 2758811.50427577 494084.865922977 258927.593218497 780096.674300628 322636.051064498 937937.813992625 585124.504541648 599874.17753038 297374.208139115 341935.707377521 915242.207871895 2107396.94621492 9280973.90136269 6611653.87452109 1818335.33413941 3678388.38585167 391658.510883679 320145.704316881 509496.526473329 575704.289041054 509425.22567838 7830534.37757879 6344528.56937248 9249290.85276697 1916960.57973021 374349.945158217 4321646.78848614 7659840.82885802 3450654.12469179 6845529.43330383 8559814.19346128 354156.371971282 538298.328685885 394935.972941136 358211.681673801 423372.395496111 562417.449284424 328652.188079156 451541.058415705 357056.218122293 349272.791706742 3204162.32952074 3144047.41606703 3145831.60832381 3117535.46961337 3143192.0248541 3129885.05330629 3134835.85888318 3120237.19896444 3170695.94077083 nan nan 3665 3585 1614 nan 3038 2542 1706108.91513265 1736372.16921952 1689251.131253 1710995.61016257 1693164.86967492 1692273.22257383 1688719.61200915 3085795.5384971 3128886.58699521 3149439.3767672 3092179.87231197 1612137.61620639 1587047.33981203 1584198.96334499 1584452.34676923 4607512.583728 4601508.43280399 4551475.29418064 4646256.68466475 1907141.75318794 1916051.5938684 1932432.95604575 1896370.37985242 cytidine 17111.5967220472 16893.0934391737 19262.8176615426 18012.2382289461 36028.7836157612 27247.6825845511 18634.9388525468 14724.4198278068 13179.4660158516 9148.01649540031 14420.1876664351 4787.57436388418 9698.83492438668 8065.30996517473 11964.0202305621 7682.4337276032 8088.5382344733 5423.65168610935 11990.6671295542 17110.1955032053 9025.45269952482 20958.952473911 17197.0568661623 7819.83700567988 11086.8815486181 12833.2844316117 8951.29609046121 4924.69468411957 10903.6367014668 6815.91890105102 17131.9132103271 12101.7561777165 16555.6895485798 12409.7053469374 6066.97278770848 16054.027333339 13831.2166800925 11778.2335353245 12841.7582294563 16174.4468982728 13446.6785161024 7329.93337237999 10982.7598615857 9228.76758356652 14622.0001509946 10206.4349970716 10247.4773049227 11995.4983788583 12084.0981925924 14131.8707291826 13737.6013082322 12830.7252552122 14846.8747332476 12257.5684299108 12298.5670513744 13537.8813905343 14510.7932693066 12252.8928859414 13173.5852395634 nan nan nan nan nan nan nan nan 12784.8523830083 11940.2330487522 13015.0914988592 12652.271318097 13653.6063273878 12560.5649294311 11576.747208339 12376.8389949665 13260.8121233183 14032.273704108 14406.2254216426 21643.4830130947 22673.733688639 20046.6644370911 21245.5726799587 21906.0268253884 23394.8754449848 17795.8691830707 21690.2308561431 24346.2545037574 25067.0092783514 24111.8550964287 23527.5883377372 Car(5:1) 3925.25041782096 3706.84574406977 5764.08836965884 4481.21872199026 6749.70501926287 7726.80742436966 4445.60737869455 4752.06275315627 3561.92425366808 3818.28702221468 2648.45369748291 1732.82495945624 2738.06355118399 1663.01234846421 7617.74000654428 3211.52890269516 1822.92525103998 2507.2111079626 1894.86850923128 2547.9474102918 1361.37963835933 4877.03815742018 3923.02854730215 1209.88028860929 2697.93303468086 2478.56733882504 1584.57674633775 1020.86108190297 2025.48289716345 2354.52640628838 6102.51116265665 3244.08566206219 6411.99758317136 2239.66542005645 1090.31129191711 3174.11783101731 4574.29339930092 2832.54061477136 4533.68054448484 5531.49192690899 2031.51243700407 2172.519561303 2694.45268623349 1854.5426921323 1846.30890372547 1579.48197139607 2025.53568643032 1296.12092284081 3826.9426640232 2508.66722678199 3612.25440935484 2855.72247735263 3226.40167705204 3249.94969964925 2997.88863660868 3674.407251018 2586.67332110122 3152.04709714922 4116.23433723852 nan nan nan nan nan nan nan nan 5687.78306495769 5612.63692958732 4969.59945448808 4931.24794957511 5158.42146785316 5266.6796704382 5133.81403729152 3496.428920462 2885.08969501219 2618.8729074835 2709.24999548281 4753.68023042867 3867.52262175282 6086.36587981029 4870.8566254643 6951.99753221879 5528.49445870289 6169.98518886866 7350.28004728539 3610.94221974292 4082.23705871846 4615.47393740375 3943.29316902213 N-undecanoylglycine 776168.025175755 61248.2312107074 281670.872159803 183439.151738853 112557.420355688 106017.193553283 45811.6823009214 65242.3555073154 57250.0649810655 53302.3522974338 110548.852615201 51725.0904494303 56391.9424110902 46100.8267942677 461756.643143013 123838.176705248 94574.9145566542 149163.969382112 77481.8828406933 118136.554521813 180508.766587802 58242.0956359459 75080.2524619614 64777.939695732 70685.6929107501 80821.5098190774 274586.619281117 49904.5907398278 57704.0245711196 397865.862688648 53481.1702462014 98976.3474424799 125604.069962727 215116.274327488 49671.2616120024 71391.5949711135 53577.9761830151 82699.8751418358 478820.707149089 404178.968900747 71650.7224320744 85535.8753933194 171415.534466488 76638.3673142089 75332.1301744972 198006.551983937 188111.65775403 62281.4206058702 339042.232245989 208334.697999438 273094.801571521 263505.170053563 225342.517701597 228967.605999331 274029.235017426 261404.081950632 272323.569095962 274777.599693736 276012.292637096 64539 69635 4325 19779 32108 34946 20968 24105 523789.554675083 488246.353888736 493829.776186006 488009.934202003 480648.97982684 490221.806477375 489919.255801979 280251.630977621 264911.478789695 267079.968047931 270580.961732647 161107.839800358 161991.274088078 169103.448484622 173408.891705743 27538.3752217616 57115.3931769521 123688.161949813 128136.556328396 59886.18563536 80792.4309199607 86563.2582803223 87101.7488908091 Ile-Ile 8797.0863071401 9250.05200786308 10638.197313493 11512.9667188343 13413.2823614708 12955.8910096108 14134.8630733507 9686.75985410037 8930.16770245663 6202.92089407002 8700.69497515422 3967.55404429253 10089.8923762176 5564.66387554874 7356.23824968657 5089.26427754732 5272.60893530053 3300.22193939164 5817.09407056019 8051.27584630293 4456.97584691974 7749.93069347895 5323.20130882279 4315.33152126965 4237.13838953804 6603.6296853721 6713.35084470412 4143.81506084561 4581.82516563478 6108.59810866992 8059.48248187694 5647.55565049305 8742.02124619469 6339.35029968929 3892.76989288378 7764.99664307268 6666.35410321128 6587.11808773888 7160.23672110056 5954.00546762846 6842.86789115242 3465.66976218935 7641.23678892241 7147.67264715582 4781.18755711273 6662.03462824044 5452.71547070842 7383.59621899314 8502.21489920433 6922.99242387802 7590.67406526776 7671.05617062902 7799.07941386208 8229.3441983982 8223.47721884629 8115.23348433904 6496.13404298288 7747.69748922733 8340.16105572063 nan nan nan nan nan nan nan nan 6670.26236597868 8035.37215501146 6292.1504360494 8340.48860782263 7807.12245777446 7306.37944242995 6805.21751160231 6946.37951770687 8427.54267167383 6745.58603620611 8243.20093962434 7046.05310693649 7102.55797867475 5945.04901406803 5934.24086406229 8653.0158399435 8216.88145944202 8305.8451663397 9147.59968771945 10496.2974850084 9741.24520980234 10373.0953848716 9584.32018041882 Leu-Ile 6936.46298655195 5903.00194529272 9258.35345844593 9834.01657935922 14600.1312880922 11296.7194778486 10706.319857537 7951.06550074926 7473.01905010759 5608.45907734115 4510.52958653083 1588.45514513229 4842.90398237982 2958.34117487979 3448.9680107538 2768.29122959155 2902.69193076364 1186.70849340116 3078.59125821174 2871.35758044021 2424.91962535132 6727.05105507285 4820.92139583767 1925.09211413674 3799.37981150917 2479.49413806344 2139.72997380715 2268.37796356734 1683.54421629596 1865.4601407744 6907.8488649115 4144.89277713123 5731.06627737569 2388.8966557348 1025.37247301468 2915.1815596181 4589.26033885005 3159.44957062263 5876.44177708111 7148.0402906926 2604.00952704541 1668.20550007502 2855.94109102854 2149.97406399529 1766.87665523141 2147.46051848694 1709.46860762368 3750.13722238955 3920.46188554336 2062.70724896259 5276.72255729581 3691.16367849276 3848.9052109658 4104.10810465456 5014.06190205767 4178.53574841855 3847.26691064315 4314.59474011167 3326.07428943944 nan nan nan nan nan nan nan nan 5127.99557469523 5659.16558008697 6059.99690623619 4634.70400041122 4733.25772181506 4731.76592758941 3977.02823930467 4191.93215538848 4313.43976273045 4854.08340292438 4919.55745977076 2218.94557188266 2856.38092154908 3474.58552555803 2968.75413338182 7883.7657169052 6823.48049059913 7155.54473530986 6902.65426797226 5125.4554147495 4675.97628214781 5763.40104866525 5363.93493962084 Car(5:0) 242577.948014351 132293.073423622 248552.089144105 217794.693035461 324924.658566741 417685.115965587 146125.51559234 255858.749671857 148955.103198043 141183.434801314 89229.9586405896 72342.8291368505 52459.6759277741 37819.4495899244 50415.375357358 122003.892765369 70342.2811893946 89621.5080596925 63454.4516882177 73201.9803194197 88334.2156729718 226721.295962341 166507.355005256 95205.9432305711 97768.5967529985 60647.6356485813 38989.0483040879 42216.6355669542 61372.7866479003 48978.9573166688 258943.836932509 176027.163990842 281696.593348295 95734.2653141879 37776.8234606837 109976.912204013 253077.39460099 129337.097149232 188047.724170409 240322.646361848 47815.2837864031 38391.0015300552 45244.8521226061 32309.7241911071 66056.8967185365 63222.3812369628 50365.015217003 64853.9225708086 78890.8437702188 50550.5520633117 128951.979191103 133806.319179549 135340.938561559 134710.593875565 131615.310313203 137164.861445954 136145.401142117 132141.323098689 134622.89333107 nan nan nan nan nan nan nan nan 211854.065222846 203538.05087456 209257.765982686 214018.801702593 215218.096755786 207647.853345604 209037.878030095 134885.122556063 132544.744506644 126306.23821209 134705.476963175 161685.700456373 161876.218072116 153979.077563469 159881.441057989 628227.043368161 629679.439196686 622833.895408381 622428.897714185 341074.241533953 347223.006883494 346904.219324671 350771.100730585 Car(5:0) isomers 242577.948014351 132293.073423622 248552.089144105 217794.693035461 324924.658566741 417685.115965587 146125.51559234 255858.749671857 148955.103198043 141183.434801314 89229.9586405896 72342.8291368505 52459.6759277741 37819.4495899244 50415.375357358 122003.892765369 70342.2811893946 89621.5080596925 63454.4516882177 73201.9803194197 88334.2156729718 226721.295962341 166507.355005256 95205.9432305711 97768.5967529985 60647.6356485813 38989.0483040879 42216.6355669542 61372.7866479003 48978.9573166688 258943.836932509 176027.163990842 281696.593348295 95734.2653141879 37776.8234606837 109976.912204013 253077.39460099 129337.097149232 188047.724170409 240322.646361848 47815.2837864031 38391.0015300552 45244.8521226061 32309.7241911071 66056.8967185365 63222.3812369628 50365.015217003 64853.9225708086 78890.8437702188 50550.5520633117 128951.979191103 132581.600257777 135340.938561559 133544.285273602 130216.621714412 136752.597650433 135267.948133459 132141.323098689 132678.854669404 nan nan nan nan nan nan nan nan 211854.065222846 203538.05087456 209257.765982686 214018.801702593 204223.798258016 207647.853345604 209037.878030095 133082.114767622 131575.791150519 125501.334259058 133061.644966574 156497.096173608 155548.926269697 153979.077563469 154436.872631348 628227.043368161 629679.439196686 606663.10563439 622428.897714185 341074.241533953 347223.006883494 346904.219324671 350771.100730585 Car(4:0,3-CH3) 239141.504372732 161714.911566629 267289.047995087 219950.858195268 328912.479053713 358626.27174403 189072.664342339 314735.642799394 178344.611204976 145856.887000766 294911.796288994 52859.7232634387 61880.7036255703 62822.6051619269 112864.37533504 68827.438788294 61600.8300657751 55777.7660911381 152279.761722126 146222.930796866 73092.5987466928 182118.107823786 268956.755412099 101275.270729199 136162.667394322 64279.3150125218 74260.6746861042 40573.6690603473 52129.1794951118 100288.951453043 246697.486586628 176798.832673493 294500.154985741 99026.1804021845 47092.1914616336 127574.728283344 190497.88182482 199349.206625221 218715.623394499 336092.58991864 56640.4449550157 108963.606780496 75751.7798458376 64693.5618610497 105473.128780678 85087.6589576295 69528.531143935 174649.46054773 81121.3621634832 234825.883860241 150429.357151592 154837.400475341 155286.258255156 153349.102495398 161532.200278727 155348.304092954 161283.131832746 157324.699722786 163991.435441164 nan nan nan nan nan nan nan nan 335509.06345134 327009.590845305 334552.463821192 328361.025341275 317038.062084467 318302.720046894 326267.174190494 157588.634989991 160273.15665617 152437.951374661 159840.979222857 150575.589591601 147576.752852026 158542.870618562 155046.391615586 458952.085374235 458408.41975941 445642.448401751 438446.486104982 260173.907314542 258420.630425593 261254.34101218 253831.58791885 Car(4:0-OH) 281556.226148639 175856.931312618 287088.165269682 268562.565974412 380862.973363199 196627.873245973 328002.812101767 294234.32081433 180713.662718987 130538.343512884 148147.857756144 89999.7345871273 160474.169639711 168657.215586312 170761.561618008 65615.5012990788 51410.2841389324 35055.9139003441 133193.539561346 93361.6714154563 88483.9234227105 186570.823605894 369398.449050695 98668.3987374815 142922.781609767 82595.5377632425 80417.0168699549 51268.657210363 87479.166838084 80507.146042257 350924.309071758 315262.429268237 266232.989838827 102542.997889068 40435.4810373139 180710.631639558 244728.276501114 187663.797604923 178183.563252601 301494.038485731 119586.887783782 128406.345463003 174529.743860303 138747.313346899 121599.740795209 121660.524744294 112159.389305165 173329.185195343 138487.65968463 137777.30017884 167699.542451261 167135.727260348 165699.988559536 165756.578661009 162243.19228399 161338.524224151 164803.878555765 158064.242646464 158281.940337867 nan nan nan nan nan nan nan nan 270426.644866406 268155.790509082 261929.88375481 258958.901236539 253458.037035887 258588.886294 258521.751727159 169519.860940411 166023.11391633 157081.198996409 162260.794555764 54551.819783555 56266.1032285954 58786.5997034175 58630.0905219044 311150.492808696 321777.505144761 316203.242009181 315753.753685836 165911.528017965 169088.967674388 186284.630283471 184648.170589223 FA(16:1) 42234.5495261953 34862.8719366146 38573.7732676143 33484.8531892356 29595.7030631418 30073.2604760684 39622.7705439303 40548.5837918964 41474.6624732332 45541.8713645478 34950.81628533 67024.9095748518 63953.1303260154 52700.6527364353 42602.6799089054 39679.9052628437 37986.5943025598 40024.4116810901 40777.5978907919 42847.7595067442 32910.9009367371 32220.4832574653 39406.6910888338 35301.3219983103 34310.4114872836 38634.0416344166 51998.1413302289 41918.8848607403 45007.8829571174 43393.9449257469 36893.0376721723 35967.0710947456 34150.7791062235 36303.7949762061 46234.3338925216 33839.2885362688 30842.4844356447 36136.8759775744 30826.1528082126 32226.3845623557 48357.9113965788 52529.9429325111 54954.8401004037 42618.1625616067 39906.8665446346 44660.919502919 36352.9560232136 40757.1442665667 34313.2445624958 37322.464682039 54566.5769573247 49892.4507012916 50422.6519631739 52239.1415798453 53148.1948837516 47795.8507557577 50712.0787903683 53518.3884498851 58003.3959681717 13804 10527 7732 10719 7712 11459 8958 11732 30474.3929799559 30709.6798465581 28319.9157874431 29884.5537304734 24418.4466452391 26000.2901152264 27308.6857068972 49288.5743164393 54164.4207152506 48524.8096100624 54942.4618637049 273192.205147983 263165.150260342 253611.409523725 275174.246087625 103287.815606202 78389.3112000984 67596.5497080373 68301.486153088 49463.0286160099 46086.9730978145 47397.2327753963 45728.9860885154 sn-glycero-3-phosphocholine 203209.161816217 160190.260934686 502953.519626729 430286.551490288 959343.362470944 631795.255895341 275043.206683296 267949.101904755 166424.769859149 97432.8641708545 82172.8556456756 41375.7174854347 80974.2714793599 61499.8812513932 94866.5541660175 57420.2963372157 58718.3820198696 28507.3346183106 44352.8860888313 116712.696402 99896.3255729274 409875.255341984 202820.797013353 69108.5305001827 121114.793511185 54475.1481449376 52210.2783468111 45387.8979914773 69011.7627278549 63424.789964195 310918.409067511 219928.855870831 313167.473471469 44055.450756672 33518.2831230893 83418.4315362293 364895.562196885 209589.321149527 211434.587474792 363365.717078849 42551.2177310053 55646.2135089824 64897.1131242903 88487.8319594646 72801.9828121687 76232.2335597475 56692.1939253776 81987.4518169353 64587.7771346686 60635.0472153945 167691.375911446 174132.214733745 162237.02419659 167174.69836749 178049.123732843 171816.328039767 168207.786905161 164398.945127209 182216.023214747 nan nan nan nan nan nan nan nan 178878.857316856 167964.067989242 157922.244483013 157873.758389427 156398.588621833 156852.163343064 157165.459082378 183976.674448259 165613.193180736 162467.75108347 166165.355932027 160449.975155894 145424.222839304 139571.160534069 143681.175317085 791190.060382156 550527.027309475 464175.723165346 457324.946137355 236972.423278248 219908.825950248 208821.89632847 198547.351125438 Car(6:0) 4164268.65689477 2963323.72677048 10178753.2335541 12618158.8475085 19149002.4614522 13060205.5118476 7656236.25652985 5248895.57270684 4714113.05343027 2091026.55658422 391258.635403031 128730.129165896 497620.961801944 166705.263841741 797032.539153062 383458.556304277 377330.047004488 151206.978914945 248967.247143885 445575.219063765 1765209.44714826 8586073.68684302 6309241.88456291 1139411.23842259 3078279.58586594 285127.98787468 191662.352476287 263348.283057823 336254.571640954 286834.847428718 6839909.58352393 5900336.37929181 8682518.7739457 940655.460807779 119186.342829471 3049063.32423256 7130393.09913908 2912762.40330508 4876699.78882613 7249936.72244418 195272.979158012 399355.787415743 301198.645858643 368825.118215609 351379.386700855 371326.231216691 197754.189870143 365605.387987646 376617.533300116 275950.62556905 2922404.84408716 2923028.30953366 2869727.90151483 2877380.59217675 2850625.71577937 2903944.55235183 2880162.65390148 2873986.38646459 2847378.20232491 nan nan nan nan nan nan nan nan 1282896.58245901 1232437.68478662 1277971.39863859 1267581.8456382 1312513.57632327 1296464.55579169 1301838.89168899 2905988.43509451 2779141.87317401 2875421.28083674 2857791.35895993 669923.92707157 670901.270014978 680003.488483008 672358.522267308 3495160.99239597 3464522.02277295 3415605.31536069 3401741.49379239 1659353.49735534 1619888.85442514 1656925.43902439 1646486.63283086 gamma-glutamylisoleucine 8897.40604070937 10077.0946684278 12190.3038808748 13722.5951010079 13390.8100492648 18501.2083049069 10776.4310806314 10615.1400348064 7535.95048249276 5032.86094182546 14634.930098573 6837.5059971092 8117.26464243163 5519.35026613276 10735.766150091 9272.51559584777 6539.16669014443 5932.57177798608 7572.15645796522 9354.27778279079 4837.34044756859 9268.11461467498 9585.41811280713 4790.62786335409 5899.18838712932 9790.77331056697 7345.60724529884 4851.07077979474 9055.18233072155 7329.31538296339 10461.2997247263 9789.99953183442 6958.46844432428 7222.0083732095 3648.5208533624 7805.73593999194 8785.07244190618 6256.3568519735 8264.51561013243 11278.1627538116 8175.92628589662 6093.60833147304 11926.3417423742 8381.19012261304 15868.6122275997 7885.27386369615 8679.66638197872 7153.97058692381 11494.5431275922 10178.5726680483 8376.64481817871 8405.36857011415 8605.69928783679 8158.70165103734 7615.78399623158 9578.23910719773 8748.7000565001 9935.82890851597 8501.25289648414 nan nan nan nan nan nan nan nan 11891.6297190771 11427.9537267496 14963.4809521455 11946.1277600855 14321.9010781645 14754.0830053357 13563.26094357 8337.4773337132 9205.85112615049 9612.86708641818 10562.4315279566 11124.2653922475 12465.5326501132 12223.3640803173 11802.8439344665 11294.0611404208 14495.7345242025 10781.7174903875 14073.2946065207 9169.97824785839 9905.6162603443 11945.882606424 11460.1012948565 gamma-glutamylleucine 48847.3263262743 48284.6704551314 74741.4847781333 73318.4176755602 87157.2339482908 95977.7750046434 57765.7838032927 58228.5664080656 43453.3822177627 34750.6017227755 66651.7567126846 39420.5673201055 58139.5837607196 47995.0539231965 59014.1489743049 47415.8667591144 47559.6527168241 38898.836188953 45761.2280902375 58883.875298748 32312.4985960087 61455.8226155208 59278.3391759649 32211.1510304057 40251.5666781496 67821.0338074112 38249.6381248727 30113.3130595179 52485.6514093378 46303.4490601917 55494.8580709462 57710.3184700116 55489.3273791902 45438.7261935409 27886.5468555026 54337.3192465539 54939.7493108209 40591.0100828754 49852.9485444311 61450.581585055 47929.6079179287 35337.9511542934 53338.5052717069 49878.0045964374 47033.166513612 52408.2286698267 46877.0477306896 48921.7954382797 61316.7792458302 64368.1778154676 59593.3558801736 57555.8114403632 58621.5964229167 56644.5208841052 59202.5408825087 56548.17400561 58656.3343631244 56760.921117615 57793.4854702516 nan nan nan nan nan nan nan nan 62134.6302813002 65556.8680510608 64822.0504840329 66140.8141120507 57842.0186262354 64824.2517378376 62022.7740911348 56304.5037597104 55604.1413689844 57904.8491752424 58938.7227938197 63271.2053780913 62689.9585790653 60116.5337975838 65170.6310193318 75656.3075852104 78168.54712078 74177.1355472604 69362.6159549067 67151.348349351 67070.7710170401 66594.0009374232 65617.6527583992 Car(5:0-OH) 86727.2874782678 66483.9147283358 118269.001222347 100484.963534762 126660.756308619 142813.053688903 90574.1990411334 100466.318420135 76326.4664538985 67462.7266350167 90893.1438095978 74595.0853971775 83305.1836164323 78524.4976319529 91975.6510217385 112423.650197047 65753.4540746228 83847.8649504322 87031.8979946117 83984.8127322672 47768.6227329866 88120.9377319412 84350.0565361291 46228.5838921612 55386.2893023571 93727.4973442468 83365.6596441516 58901.4248645383 63197.9101488977 82925.5587679728 92796.0919329847 97443.8683399729 111536.967077525 53902.7923752382 37792.3477474337 77767.6555495738 94049.6726317333 74573.8272705765 88034.1131479378 113232.609890638 67110.0644764921 76629.1529218043 83230.1958108737 70063.1588782519 76713.4652049959 69551.9159074637 84347.0391400487 86950.4322253856 108378.823807848 72630.4959965988 83789.9762080358 86529.0315347424 82990.8691991287 82848.0473278544 82855.4219356416 84069.4608987216 83364.0412467296 86782.8263854387 84664.4607713637 nan nan nan nan nan nan nan nan 96852.422404962 89629.338777222 91247.1186108189 88697.7689877043 87689.2396976768 88347.3550739475 88276.3913842003 83892.8709767515 84022.4299951581 85591.1481908 83660.838351541 125584.486944808 119505.301751872 118432.804914214 118873.017761295 133391.526151683 128782.442313871 128725.252997702 125269.274684279 109156.064045019 108813.848941521 105025.304995792 111065.516731726 deoxyguanosine 1090530.31918381 824335.355139297 929344.324135536 1604525.06164574 1730139.79525706 1141552.60676766 783563.050702993 481233.796590242 1350684.44063877 874479.70975982 1642095.28223216 758619.995315411 1245149.25122826 1275747.3554176 1354250.65417067 895714.016346077 2042233.74114253 1593232.19880113 1319301.76704195 1206561.80392316 583902.229286819 1164518.30765651 1027513.28553058 1135546.4158845 966658.749736308 1327759.97661443 734568.004795719 660505.260237818 1380824.23338309 697006.222333976 840465.447637404 1002792.12353989 875835.029524534 756770.452781925 996439.850240753 1626050.20930133 1328498.11143336 1172640.72864951 900972.235353531 1004560.68826173 1288014.17066247 1748462.57711444 940097.671752987 1277189.13746588 2227385.31827297 1045314.33933533 1537618.19725698 1565594.85530957 1301589.9488188 1305144.7626495 1225518.55106505 1198993.08460861 1215090.86867201 1230260.54018775 1229614.56664175 1220108.79287255 1218155.03184516 1216977.7310467 1187467.13517124 1546 1124 7674 8243 5571 1616 9975 7793 1573821.13400251 1599321.20296403 1648127.93922862 1694849.93302697 1700871.76295673 1677691.59451703 1723993.31469143 1222414.34534946 1238056.51778046 1220057.96119062 1215636.95666178 1356125.33940648 1370800.90314727 1550292.72655217 1551319.04723079 1711849.41022325 1662200.36487058 1633706.89561865 1651841.6089196 1519145.01066757 1548668.11015816 1464190.31857851 1473337.80872307 inosine 510379.748861286 438872.91161976 430741.848385868 460238.990013884 669153.186622979 393446.809850555 474632.226822041 262689.368346294 371114.985266457 208466.628928957 397623.621066166 182070.105643914 267319.323381572 286659.968089285 293233.275570656 182714.122236666 404440.709992315 308077.816497264 309714.14466328 351784.50663666 127263.062507928 343543.415751756 315869.895099619 378904.357607637 233350.947115586 308312.066951389 300672.796799439 211868.322933343 280563.186244107 239082.393379952 355735.919717456 279375.086450656 292520.307524886 214543.463721506 215530.368688177 335089.147394737 303798.221302737 283089.976004782 311385.976697792 289569.861365203 261747.318770355 368948.202026199 233782.60145049 315479.924626273 486790.659676668 243546.388363063 325425.729328863 342401.129470899 314650.787498513 343031.908966639 357348.628357414 351184.425556564 341902.971788961 339387.221222922 344403.735521721 346070.645196198 349489.41068878 341879.69708351 359185.43164952 nan nan 6461 5396 3779 nan 7495 6219 741146.203614752 718936.976543371 705270.568026665 707790.595273757 705808.792958361 704351.521306429 714760.307236218 343268.232907758 335230.916758576 341173.796771524 342962.395942187 732770.069267073 730841.516081796 785798.764148597 806711.182524997 814111.062532799 632665.957775979 532284.00635057 503111.111588518 590421.221519913 566285.196061005 536371.978810304 534396.415907595 sphinganine (C16) 3712939.81660013 3734693.30400222 3897812.92785614 3924830.93236498 3674055.62628206 3766316.13909439 3726117.95406824 3576416.35366323 3985666.71082797 3851320.77871314 3643660.38333607 3529536.00295503 3510692.58672605 3477458.2040533 4060021.14779861 3909322.97742713 4038119.45871273 3916687.92759675 3345110.92932106 3482248.79236209 3589042.78730275 3518305.40543601 3707195.44494727 3981025.8393676 3831711.09197098 3621130.95188687 3938678.64622855 3936015.14118863 4008124.96564849 3924671.05693781 3828275.27970119 3560563.51108259 3848606.05885518 3963292.84481856 3993063.22228245 3768549.20177833 3975038.91764805 3923947.06843263 3287332.0820083 3454929.75165775 3639506.61048867 3546192.68194468 3660160.8945427 3821165.45421371 4035197.26194775 3468662.6100615 3351658.67914029 3737230.87475411 3644676.55007172 3815169.85390789 3368436.25382048 3537212.25870222 3944360.9872706 3976806.83477534 3994966.25704833 3535412.67622835 3929827.57873186 3836038.36987843 3980494.58430222 3746028 3704355 1399824 2264253 3713623 3707180 2922361 3318131 3540032.86318344 4094656.3507878 4139517.57687398 4177740.03147226 3627939.66825946 3911247.14677102 4030897.71899042 3471019.46521185 3953417.31440438 3384986.31420453 3977263.62211783 3634659.96046393 3617807.13071631 4153909.42400563 4176417.72076935 2521405.6701594 2815189.50925567 3951546.97719295 3989260.91242786 3140562.49295877 3349098.09958945 3973095.30311002 3948452.90608511 N-gammaglutamylmethionine 7875.35937587895 8916.94101934126 22790.3084103347 16296.6581653442 23206.5875474557 31343.2236755472 9964.91756625327 10231.8685124878 5139.61483527246 5230.79271361475 12754.5658494696 5649.70722555356 8202.77072382652 5803.91510625822 12565.4620770479 10996.9976384941 10528.354041021 7242.38615985216 9423.61614337394 11667.0686003844 4180.27348188274 13420.1567101322 10654.6182687195 3020.10155464619 4652.96906618672 15080.9922762724 7623.95836189024 5296.83381178768 9935.61601548051 7690.70036030282 7684.715815024 13214.5717024911 10235.6174654102 5423.80521647176 1899.42710620298 9775.51948385759 8238.25997288386 4974.94406995607 8895.10646469625 10796.7471034074 6848.01799697423 6299.72451874043 8502.78475522572 8399.53502738669 8465.57308262594 7735.08734788532 7746.50079305798 8858.85441924752 15770.9065352525 12315.3162402588 9108.70152122594 9576.69397176229 10584.4984134544 9100.32532323879 10108.3255053372 8745.51638270198 9790.67520687347 8447.84254830828 8536.31958676219 nan nan nan nan nan nan nan nan 15192.0072201731 13891.4379002264 15042.6875170736 14858.866027515 15187.5873923706 14702.2773425344 14209.9826546873 9941.81098763335 10159.2113362765 9567.58736111985 9326.66897818414 20219.0066728483 18858.3218715326 16714.1109473254 15551.0368511852 19338.2275310092 18635.9089252067 17067.2126048502 16009.0855489999 15976.4862506085 17637.0505868462 15325.0381754183 14482.0258894128 monoethylhexyl phthalate 610141.273341098 717912.715089184 640371.294888289 778320.845100595 511302.813340329 440952.076763048 521757.93981065 397159.072077876 1376912.70488759 633861.243142534 751131.267291823 540266.513284454 521504.554320697 568775.84552202 950640.799218265 712996.193423828 645139.236116036 807640.838106954 532186.066566473 482970.458334292 622053.517211878 577676.796059677 610112.95548326 552954.160229075 533433.341262179 694750.963197229 726189.049007928 450640.585613108 872178.185150282 992187.709114438 482145.832071898 736293.582675594 388538.301695771 932223.850380501 515058.126340999 553706.098091258 997017.399679837 577171.019039859 985770.396838706 1113506.2157494 919338.301285033 1312121.09508577 887846.361784768 567875.382628855 742095.018749472 995386.207754888 1065260.1744501 516351.733755074 688331.542393893 1061029.15791688 1007646.73564646 917632.641505163 934811.997825765 1021026.66833649 978709.416045857 1013732.58639013 1022454.31451925 1068966.62002971 1023276.01156897 1095707 1133928 527968 672546 530924 581944 420383 454876 508231.263960926 446240.10547051 484645.828331555 492484.883442142 496828.823866281 518105.89462146 492204.176915497 976654.842926053 1017820.98108333 1104687.24436355 978555.024097272 777177.560506867 817697.906929584 803568.673195109 947921.143488377 285706.263841527 367296.072318255 475727.541715792 568682.669761674 492301.110859142 557494.753833506 651298.219408761 702727.418740725 oleamide 362668.994663336 312297.08445224 242052.913506699 188599.537335462 422297.992836791 165621.67129448 132620.90504494 192718.092174362 258626.285656875 466625.636248775 135728.265774586 281599.930023869 135168.392648285 149794.92323945 1052285.54865566 160418.411738676 436923.976008409 228094.717759457 193215.746316576 299765.886320979 167953.025419432 288549.151508792 209728.551250368 193443.645890818 246997.000980857 156763.542285142 188317.787607836 682493.254330556 173552.36119615 347189.858097206 152700.379827577 130995.598204722 160137.325232634 190750.816864266 105656.305323217 210586.035817884 212482.459408932 250544.274731251 184693.479361136 255342.681726655 162334.445628764 202023.934038314 141294.219113169 212342.970042827 206115.010644193 280453.737746842 159822.759121731 137770.215274408 189059.467821677 153665.697693656 988316.870986509 938568.77353438 979301.854800605 1004182.76137632 1002656.67753523 922026.073603407 950557.040966926 967586.18423016 1008806.9270706 58993 66585 40414 42170 55648 61896 46425 44334 92017.3063367663 85069.3218461153 80528.3847801668 84443.5439493282 77793.1231851926 79161.6013596213 78916.9023532986 939142.499384213 989546.067215408 945278.346641177 925242.833638929 173355.741447392 171950.957833346 145318.714970759 152817.017551246 177729.840021773 126416.001487406 108014.527671547 102063.23981085 144522.390944358 131446.614755744 118317.340548382 117900.232761481 FA(18:1) 73280.5061234605 65124.4360461512 60892.6678688527 48240.3993096376 79386.6876500287 59250.5105711049 70760.8721810646 66179.2699168568 83981.9505435717 70531.1222649413 53184.6927903281 92286.8139521834 76172.5584667548 77362.95602569 67446.0353101683 72913.7248619168 66311.6403932233 57746.4617514068 60770.6273473895 65478.2846422082 77617.3060273416 62426.3334792606 75710.2119010986 83486.5063905614 77097.8548651639 70709.8541708416 60131.8322235914 90750.3088105013 84426.5761997934 82514.1437214551 74051.7731383285 87419.8410310968 63708.8737882531 78306.5614763835 86118.7455035333 60816.6398396355 73276.211009001 81539.0777645572 78064.9789582674 62427.3368485117 69324.357515844 78116.7711562337 85507.5528638896 64085.4425217483 65406.915046249 64065.8314223079 72036.7588626217 79574.888027003 50407.5726545585 65742.9526701713 83185.9891011384 78042.7347705513 79208.3413211844 78246.9616126814 80382.5542941007 79517.1530137 81470.7932176198 78936.0847248277 80168.8497219106 14510 10855 6762 7020 12189 14779 9501 9836 40802.4735835834 38385.5161353015 33373.6167987994 36713.6859389086 32164.3118169457 35290.2409155813 34079.7149596335 67717.1113934693 73116.4045732218 76891.0366000216 82863.0598097706 62898.11302874 57431.3634408972 59747.7131796666 50700.7174371047 129177.367483184 98281.7188793924 75831.9694954376 71067.4069107689 73827.7229444952 70530.5182009308 62431.8864747468 62240.878872446 Car(8:1) 5735.34999341179 5496.76748947516 6927.53050965909 6382.26712175203 5849.47724899766 8532.11861746849 3996.14057223264 6424.32663173033 5085.75584324286 3958.21305854173 10808.3461930686 7398.28674778622 10556.5730689171 8899.77282601296 11219.9221748037 8033.9244451395 7539.78964256751 7121.76549899371 8128.78131056446 8268.90930533749 6280.68940056764 11984.1681910621 5619.2186462693 6100.13759084281 5232.26704451358 11241.3225769257 9049.42623066773 8661.40816485053 12084.8456318484 8999.79998743518 5770.41024096471 6005.46480486072 6007.08646176925 6730.73277010852 4136.15522797886 6406.86517613057 6753.21893112232 5302.32513045378 7046.53117599416 6133.67196750126 7931.28651024545 7759.85050284439 7808.7856272144 7855.23856552893 7985.88579387225 6990.07876741682 8377.32319787341 9506.9305785648 7369.47416089419 5564.05615391841 6932.2072111279 10414.0750645449 7949.15671146423 10310.3215562101 8116.75300436011 6382.10119351755 5722.27903625879 9041.13358324216 9895.91100865331 nan nan nan nan nan nan nan nan 6782.41155006038 6757.5748967591 6985.62575188562 7852.50057600903 6472.72308492459 9277.67084510983 9445.03691014853 9251.00997410934 6212.66983514837 9951.60404245258 9933.37679436696 12466.7361496994 12816.6811889381 13217.6881578645 10858.4674589665 10947.5607851138 11959.5593974445 9906.86989110941 10056.3919447467 7862.42880560697 8321.94623002089 8799.69256323483 10545.1483320492 Car(8:0) 1879542.36715075 879577.46124549 3110178.4423743 3243801.0918242 5619276.79267315 4849721.89797168 3861349.60564546 3054675.55307452 2616899.59507635 896321.671156564 133343.233249739 76740.6735653963 204883.778101853 93253.4802978231 289828.171604354 113066.560516683 133827.65647896 66848.7949615009 103219.457072516 150748.003217821 960104.97082096 3045538.724522 2353154.58365693 662275.381664142 1333790.14864955 120247.745451405 84386.8413728316 103955.329155472 133074.420455625 122012.608843726 2703542.37466853 1912542.42093508 2796943.13358121 436135.539363717 83616.5846305951 1140087.2815653 3348336.79704495 1686127.45909294 1551821.42091952 2107510.8077421 141360.434657961 117655.330367888 141486.903039289 159613.668340042 163195.611321161 265461.227698338 109794.399695601 160559.219636971 131205.54907363 142099.887485095 1157527.38332025 1127671.83463224 1141472.0161081 1141824.1877896 1131183.7795443 1133962.15996703 1138423.00137517 1115294.46655576 1155071.27816828 nan nan nan nan nan nan nan nan 378623.421015638 366729.71746792 373404.631649865 370489.900035615 371446.756276033 375030.637134712 374988.351261817 1144402.49200198 1150060.66084573 1121681.30491755 1157529.48968334 337003.963706835 346147.88677687 326429.953179449 326082.621967482 1332719.59465632 1341391.50650411 1321201.07766906 1340346.9079087 807851.184211703 843812.344066012 800923.163872006 822544.887990767 Glu-Phe 12099.7780065566 11438.4100123422 17804.973009363 16493.8465784323 20861.0607025434 23975.745573611 12800.8342492607 12919.7043461544 10513.6412776142 8036.38868963287 18639.0526937929 9736.97609459312 11411.4330237527 9800.92305971077 12925.0337094901 10902.0125603346 11858.5806938067 7171.07696742259 11094.1811382219 15647.8525047772 8395.09424643348 15209.0610486825 14513.7974071211 5623.66943558249 7294.58365408433 20397.592101403 10932.9383136633 8259.52003121998 13827.258612764 8471.84067305759 11952.9472734947 13730.2449111967 11863.3527665573 11178.7008859211 5518.0310145548 14373.0191534793 11102.072683812 7850.07661864148 11075.74247967 10760.7076028553 12411.8185898886 8224.76320590847 14147.1187470372 11915.0509971044 17085.9166524113 12621.2635877995 12496.9623855438 13154.1606486062 16244.3755965145 17568.5155790614 12475.4391178305 13495.7971933556 12421.6795523852 13069.5957730779 13354.4869511137 12990.3758021463 14093.3875108538 13987.7534900811 12260.1329475386 nan nan nan nan nan nan nan nan 18105.8478903206 16136.8119721624 14835.9119121292 15400.0001796174 16414.742707662 16116.1590285806 17045.9617816849 12782.2573484595 10990.7014908344 14526.0815928803 13046.1904100122 16407.9548478067 15193.7049175335 15541.3711804534 14498.8851847669 18800.9279479367 17671.6375440775 17741.2601504864 19152.4847014284 14728.7832266226 17794.2363162255 16926.7210405048 17342.6851131071 5'-methylthioadenosine 102781.930043127 117709.818843947 151093.667095357 151347.244755206 192619.514345719 190364.040663144 119534.760406597 104170.62894863 75934.4112353366 67338.9042090121 93393.7990915658 41713.5530869372 66036.6096049369 49503.2827408692 100927.080466263 59395.9249968855 53314.8319837955 38565.5667648051 54485.2472801616 70750.8835363507 45601.6756708871 97794.3844034502 84495.1446186958 41216.1027472983 55091.2616157635 56497.4576382746 49295.6220017478 38431.3943048635 42591.3203827556 45941.5263527055 80517.7971770315 69264.5973335532 84279.6502562604 36296.5118581692 22896.6711905814 45690.8585814042 67187.4495213299 45624.6156649085 64730.4296846423 75426.9536248511 32922.8470895181 40218.9419102594 40399.3575964936 33497.9981892307 49037.0809627183 47649.9451294918 37319.2932414621 49102.8286453606 40065.6788300849 35257.1091917929 61815.7692277799 66462.8993867082 67567.2051407291 69721.5803489055 66089.8568623898 66348.8480415301 72153.8769608713 70021.9916175272 75567.1982775417 nan nan nan nan nan nan nan nan 551677.574782447 527753.791294703 517483.754710619 524547.776731844 489624.407527984 510524.215502667 508665.182596472 63993.8662216387 64048.0152137509 60083.8816067381 74788.8176597643 57671.4697860741 53655.0386226772 61846.115060541 62370.8460578817 160042.492372636 115050.738904905 106968.55842855 101445.292125999 71316.7469845214 70337.4183812179 71984.6350587314 72546.3704219922 sphingosine (C18) 277511.139931521 316023.239236675 519336.570290635 516479.026295242 517092.447795687 447499.534200446 343145.54343538 314047.941199976 221720.361710802 211602.427471041 652080.245109257 126857.826227761 218497.024900413 247206.846604793 273058.705744911 146164.82100595 207031.417692507 174019.669932456 252699.406585844 249333.253434698 129052.139829493 286567.860182149 298731.16303237 146303.719493128 233696.084410972 201679.291623148 161978.195756308 160005.620249912 181903.019387104 287574.698917387 288005.311721979 257005.894771919 278754.17577554 196653.576336603 145915.887934371 222117.465040224 249256.057474023 284756.181926566 279473.700319495 430176.27662271 193018.281060537 226903.754818254 243345.111165682 204748.405093032 1338735.13207697 269078.140353356 188045.538852361 314321.373417524 202293.663840559 245951.287667116 281193.085375942 237472.794826944 261829.986110242 289634.513387274 272829.127552927 267797.088869286 269778.658503837 308621.822560505 279417.02450863 nan nan nan nan nan nan nan nan 316196.329845694 329846.717034381 360841.674548788 361788.569686955 363913.164791119 387071.724935804 376988.979786681 277536.120581027 298612.738684005 307440.835524512 259888.160262152 190762.584137823 202903.373856454 242102.453770709 249664.439802932 133429.029578005 212167.77666727 316337.90037108 372879.345901241 160760.336122814 193272.283306404 226786.876783883 258625.131041305 sphinganine (C18) 81586.7947965015 105842.033010731 153839.236920841 149794.946976993 156872.305939644 131162.265446023 106393.21696208 130961.400749508 80978.8117018454 81673.4715096904 103170.254851716 49677.0915146775 132306.275264438 57493.410301401 98731.6966614121 50600.6436356259 90771.5935096209 62065.4928152307 67809.4629106009 100805.368766936 48966.5089890871 87166.0463469196 91183.3467014743 60120.6608467849 91137.8952456099 86335.0709346434 61407.4637571204 92108.1480663532 67137.4699298336 64373.8972792135 114982.108323189 129958.977158296 113101.167351523 77020.4773759565 77038.2104931868 100514.419648016 90639.7170272815 88537.5984178185 93396.878141853 114690.119236838 74532.125912644 55271.3328089241 74335.7790064244 65408.4285809575 118301.00971545 116205.412907174 54420.9253143804 118506.325262174 78789.7243184115 58698.8454162272 102039.898952995 100315.26338168 103663.523975948 101251.384475938 102486.358157049 102507.566271101 97371.3238128006 100175.30120451 100605.784730573 nan 1454 nan nan nan nan nan nan 183458.916325132 198585.290075606 200328.852279081 191322.679031574 203357.71094146 202274.154015859 199160.658707367 103709.391609852 103403.275379436 110961.908378545 98009.7009752508 126520.723253788 128332.903996277 139825.477273592 138686.621379101 91401.3903218033 151214.173031512 197290.652112738 212094.048918611 63094.2336998906 69884.5071515917 70466.9097131787 73574.0588625371 MG(14:0) 182208.897631628 164805.123342372 244340.584246524 227702.794050085 182394.317443323 227024.319735165 245782.476118434 196116.570265239 104883.989014875 153486.355279046 140433.620120542 186128.685114421 205969.350887851 246846.098280747 171353.9943375 100895.213096024 186557.502133177 175331.381687099 152597.054256488 101827.410417906 134585.258048178 189826.775355654 131881.760567854 125201.640959508 142772.346622889 200934.803861201 124330.509893864 172539.815024047 149434.421144146 142582.39544191 163948.524118641 183384.367183761 176201.585815189 161081.690553991 110609.853361809 224495.138511625 160224.85372543 122369.862345225 228587.945784096 280982.87130025 196580.187185435 165953.59545544 253070.962863998 186641.678579027 279924.2996651 227904.331031685 176595.974875498 235690.873872854 181870.286072272 170701.942095357 206808.971262026 184306.54402558 183558.123111958 175752.813974054 192041.007792823 190706.164672444 195177.964879122 218169.823349955 214989.199412801 45568 43643 21819 20701 38721 42567 24214 26752 315547.869312051 297202.915166261 298104.996053547 299144.208769712 292057.059682067 299269.400364261 313821.542669568 208305.739565045 210013.265805421 212143.655080351 195869.615410734 383097.08669995 361006.952666454 339429.83537 348631.14945143 332160.379022329 262539.27494689 193428.161733128 222811.129548625 144510.42531904 103276.67154896 133607.424615046 133570.654703133 Car(8:0-OH) 11211.0010256652 16868.033324247 32682.7105160608 36991.2631096991 43082.8482408073 36503.1251978703 20321.7582678335 22071.6793617807 11390.0908482142 10189.2311834413 8404.66330107848 5427.14438104472 8862.59046157122 6562.51467688228 10467.5431183958 6905.71799660314 6144.35316057156 4328.006009242 7795.13259100903 8390.05646480786 9143.66120017077 23943.3249524965 15001.1556260698 6611.18031087051 9927.13914929836 7719.52535247654 5028.81496728435 5912.09335114764 7209.05678653448 6992.78817993979 18063.2416960894 16201.212545141 20102.0955221236 7145.80297856074 4559.1549779485 13493.9180845708 19716.9016941909 10450.1838907423 13440.1167587543 22187.3206330567 5813.58256491278 8246.27906643139 9140.02670472693 7490.55130785183 7147.87748372724 6653.737618986 7361.39658293652 9975.78755500283 9295.26977704471 7697.43258941193 11560.9677818175 11149.230278218 12519.5847450378 11293.9014963022 11756.5625751904 10773.4261927236 10309.8870209191 10836.3602964423 11184.6362963093 nan nan nan nan nan nan nan nan 10197.1454887814 10245.3456799086 8830.96483970205 9558.17393284571 9027.36393142444 10336.900213741 10035.4243126393 11556.5590394042 12236.5568033272 11155.7219661066 10243.4562091376 7020.35882788667 6978.92439923062 6920.74013203749 7732.66108460912 10285.036072763 9405.80546042081 10945.6390638191 11285.9395063674 7247.64893329605 7016.12847831557 7879.02254764002 7120.30611001384 N-acetylneuraminate 23895.3022705049 21074.9426015685 36885.3614277372 41779.5366882944 44844.7528806439 29011.4643847466 23917.512885841 23877.0203935076 25387.3000060347 22413.1120556265 72245.7765829623 21000.0507880607 38302.868715779 34041.2316082955 147686.349548609 24667.4757075911 34485.2315909006 19100.3812787637 31327.0364660748 49636.2866559102 21839.3034836811 29640.9010189455 24952.0066078387 16830.8892231791 20423.4331495451 29715.1947914184 42113.4235149161 29479.3462016467 36610.3005204018 25568.7478386098 27514.1911622264 23350.6790124068 31137.3185640497 20867.5805865714 16973.1838746325 22186.1714000795 31003.8053320929 22486.5315891583 26974.1390187986 30105.1473311071 28599.256886037 31128.7023384914 29979.900717948 111565.043323568 35982.9715577769 35797.5014865567 40627.6299783979 28819.8018698923 48215.0226228407 57801.7415424716 40107.2163013925 39704.7051894987 37749.0896618314 40024.4503692398 38641.3590679645 41198.9744787095 39805.8390091762 39598.2267198661 39743.3396768793 341 386 2533 3199 1034 366 2841 2518 60416.4302000236 61606.5865619779 64684.3989502844 67299.8677685446 66206.9538537417 64294.9624025893 64123.1194133016 38257.3496892698 37182.828963363 38310.7387494333 40193.394851005 43107.1436096116 42249.7494688209 42281.4572947565 43441.3547469652 34390.5402363322 31557.7178672407 36439.5442769636 35227.0017180592 38123.5846786909 37115.066072168 34790.9947294201 33260.6598716652 gamma-glutamyltyrosine 10616.0204857633 12276.6547424 25551.2966526443 27546.9738961918 33768.8756411486 25907.3683452603 18937.2504792752 12480.6141624539 14026.9362821402 9369.15345603101 3958.21915283127 1962.60160426021 4028.57558634306 3060.73197328575 6348.17273059881 3968.92224501339 2782.14257485455 2835.85013249071 2210.09891969031 3775.55114311579 8312.51094855712 21128.2245697699 15543.1670882277 8942.58507675971 13948.4821988249 2702.16940087648 3645.00236554761 2631.15488470947 3386.8211905476 2866.67028108975 15305.668655461 13683.1077740282 16166.1340470157 7622.29992981807 4363.4131908087 11270.4675663491 13605.3829942896 9554.89678622495 13578.8863810497 21510.4976806073 4178.4417159578 1714.40688605207 3158.65682583529 2908.27555110367 2268.78338465342 4021.69553933475 3326.84552709225 2620.64235747477 3474.106832423 2553.55617981013 10289.4052199596 9791.06459081086 8718.10372694159 10073.8533778258 10075.6983512437 9594.5700034618 9132.32973890604 8678.29303634707 10924.7000333665 nan nan nan nan nan nan nan nan 7520.32801139763 8059.83787893901 8219.19571982759 7306.4178207477 7079.20862481276 7792.73925838742 7856.97779633329 9847.90587535035 9073.02220579625 10199.2104476193 9918.92379262178 8088.85395660447 7902.27555981314 7310.35108298769 7489.67535502716 7866.36635308394 8129.58888810029 8320.14751062724 7788.87840155443 7172.14320032982 7885.67343963909 7592.69171963057 7379.45777370954 benzylbutylphthalate 1009918.16122208 1130452.54295334 1274944.10450736 1136672.39819993 1156821.81009146 1092422.4720488 873572.16350504 1018525.49238348 938330.21211201 1052495.66593779 998064.526055311 1121682.20382727 1058273.28975275 815090.626976615 1010261.4116554 1061208.18618479 1514129.39974223 1044546.93519716 1010457.31392853 1013270.2699512 970833.543150964 1261016.02987504 987550.210406369 975406.567932942 980336.855505445 1126974.73685716 1259693.49206703 1021651.0481409 1021240.20767095 1063735.50608899 1043712.87569116 969169.529179187 1027471.66925525 1029470.70705652 1147269.71768446 1081748.91198823 889429.170723566 1018679.60505917 1718605.24411003 867351.307726059 988867.831464436 1052072.61099535 1116843.80370765 1045677.35694917 916137.9745077 945308.294682738 1245647.7991094 1753639.1242195 988943.5369231 920415.260706465 1075820.14842361 935447.791298268 990503.175057742 975771.891460335 1004256.87573241 987607.146399747 1025408.44720792 1050286.74768738 987620.45416345 1237679 1186747 372945 502264 907064 1102496 516321 573797 802264.130424042 713427.445561018 744960.607761077 712388.246522323 675937.325345863 756587.479731822 742715.670695527 901393.118355766 987475.287287852 931312.115918157 1041628.38672332 1015218.21445122 1016777.95609332 976278.046674893 1081400.52634606 1084144.83879943 878480.967300794 798645.240280708 792271.995724531 781947.237185047 720806.345978004 774865.730975335 767610.462243947 Phe-Phe 6035.51223659643 5650.65215432351 6213.6289149048 8442.88671802351 9189.77743450321 10051.4374527369 5446.52518023749 5151.45908940944 4348.27371721688 4153.56740980916 3510.96682466382 1907.08430878586 3234.72166969844 2227.67002106249 3277.01250258403 2909.57158755194 2484.27967638005 2588.14634646794 3639.01352811819 3402.34247101744 2787.85287632046 3673.2579376888 4145.15434726087 2794.82981723479 3548.19243418375 2474.59586250604 2539.77193313539 1917.59353879634 3011.97027337029 2181.95938782766 4155.15557783533 3528.89016941064 5245.7789336801 3418.62203514977 1830.67981659313 3547.13196889106 4154.30921403618 2827.18343692469 3741.68839748891 4166.94575011935 2663.66085833753 2069.19904630813 2199.63943034258 3049.15940935129 1650.76343482471 2912.42225717656 2699.62623294087 2273.74344892515 3245.33758345658 2386.46995502505 4119.40391882259 5269.71230175476 5062.52907986455 4371.32031970116 4855.62870078547 3869.43579170164 4941.04723162118 3913.1531173913 4835.90350931677 nan nan nan nan nan nan nan nan 5116.75892979148 6675.47358124827 3000.26489242058 6834.92859461515 4859.26099143525 6387.87190648053 5104.59009166675 3324.45159613185 4868.05587264929 3772.47518884998 4351.36571643538 4581.94697831174 5197.43956149349 3779.66463015802 4556.21650738488 2405.85938335785 3184.3364499304 3211.34100276367 3275.60708324438 2753.98185230024 2294.44571729054 3046.26523192765 1907.60603911333 Car(10:1) 113927.779505803 121034.786848442 269677.967255922 326226.696365493 252760.516740518 247311.2062597 159288.900699175 160748.24605223 88161.5155518046 84279.8363151368 136439.748084073 77129.8916164948 132293.475061794 64653.7743785598 206182.337945429 115935.179265484 108284.577743434 58663.6861627302 77509.7269796691 101027.462480422 71018.8750684388 158050.595087125 176088.526619624 53905.2338839133 75999.6896550267 138328.690858029 58552.3381024895 67011.2854825583 121397.924074978 105565.957502287 166807.355704962 183435.610802378 191232.449013165 58224.4914500235 26926.369084016 114995.626184595 171195.013420445 84787.6331755026 145252.112793648 197348.458433347 87187.6735548197 84467.5077256557 109957.224317668 110039.610892988 128142.742075019 99910.9356562985 91937.2675002661 135937.232861268 122002.360992524 83410.3608128726 122367.514447641 125766.014807376 128489.926188983 123862.336196476 122958.981347026 122559.470579709 124189.032770102 121377.214235574 122682.973793083 nan nan nan nan nan nan nan nan 149086.665101905 139021.236216881 140848.22917759 145391.164002535 145412.7012062 150577.100022476 147997.09498944 125080.344805707 115743.699841861 122294.981103508 122117.158220184 89608.220357824 96575.72029203 95465.216720398 94967.6926494141 127524.72511753 126776.822545274 123245.688478567 123684.616900227 67279.0889273575 69278.814473777 69050.1149481923 66790.9245808668 Car(10:0) 530376.256483309 289737.327396937 813682.803454784 911526.273804262 1297077.61402045 1146679.93573452 1318137.19097018 1016216.20566608 768832.28131175 339709.949110149 156279.540403074 117246.342358722 180050.034568236 113554.150524176 244164.669018329 116631.611462172 129921.874907739 83024.2100772774 116733.385765 141806.007051258 343927.873281065 804638.149049326 698740.826380172 219187.184894694 413532.8256915 151986.243012947 86561.1074701463 113750.848554016 152639.136715187 133393.806758313 804068.06681782 622004.986845065 884573.239674864 196770.951915762 84013.8734937902 381206.65411082 947097.738747501 541579.51828683 490890.241560367 620455.373628051 187667.2013341 128217.116749418 159395.33832761 163575.610499688 167339.44533603 210313.55473029 123751.465880719 187941.630207177 151105.517997226 135482.328149243 400919.386047808 389538.798911788 392718.935782307 401812.729648516 392195.959585475 381172.484093685 390194.298840781 398432.761985516 396171.400472702 nan nan nan nan nan nan nan nan 282551.253232999 259893.607722579 264879.273922294 262995.27079656 269024.901848196 270309.244747493 273238.384433323 385829.731984393 385937.544352222 389710.272523225 394170.276616462 345406.296432992 343263.756138808 331584.926317998 324424.341380999 499332.372136468 517827.951972911 506422.438758928 525313.474271839 340612.936833713 361217.344799581 343512.218607097 351957.588965625 Car(11:0) 5453.61137680969 2929.33221520015 6065.86740361607 4715.95989575736 3952.89270797011 4481.98332225919 4842.06151020622 5023.64997657182 2975.82880647055 2392.10185571445 3515.90843080112 4474.47814620358 4168.41384048871 3344.89851368196 4999.65067689646 3938.67290332998 4165.24536881866 2662.89385814021 2975.49659781584 4070.20806112758 4029.59352459974 3856.21554556135 4223.08209708916 2894.31057502224 3020.17520120662 4599.25504998628 3296.21891414849 3205.78675385542 4039.72735641204 4120.00519468248 3704.28280234119 4759.29490183735 4088.12028581766 3652.2851874244 2632.89857625493 3621.51173544386 5846.50677920688 3386.06352008338 3044.44757214915 5380.46276133612 6191.76549809455 3137.92932220221 5060.6085722406 4955.25806042267 4589.56414341723 3731.51440742123 3734.96375794652 5858.27304643587 3932.59723622208 3399.85371602284 3975.80776194948 4356.60162963892 4696.86441319788 5517.07652703188 3775.93531081338 4681.74936549996 5013.33120595744 3888.02066681378 3897.33957877488 nan nan nan nan nan nan nan nan 6900.86280541061 7126.51639535942 6725.27302840485 6998.52124008335 5467.86884903031 5109.92190524959 8223.61531937136 4908.46723806394 4134.00819144552 3861.14443765032 5250.20706991473 4904.91048743682 4653.88474076089 4946.7056401578 4374.81548616867 2607.27737075968 5065.18017987576 5965.08233160404 5250.77089347552 3338.03027367491 3540.92706986408 4035.09934671434 3759.73856629702 MG(16:0) 3407500.752113 2879992.11102943 3592718.09092576 3469398.28926552 3759570.33068273 2892159.86496433 2904671.2609525 2153697.77673036 2606870.17458411 2665630.19629107 1820582.62807017 4534146.46995616 5296364.18685532 6029817.25906208 3359387.40228729 3747993.46109457 5100936.60614379 4224815.06433005 3283086.10710233 3228604.48791613 2790167.50567951 4278796.424226 3673272.63947053 3177153.56319816 3087712.59075323 4326250.87501045 2490800.72121132 3464114.83232084 3497025.30761879 3518257.88674783 4161541.69910105 4339856.87038176 3136065.90568958 4065254.08722048 3512206.20421879 3835233.05489933 3582652.58868719 3554519.12528996 5783517.130649 5085432.44870223 4971033.11107949 3351246.64984892 6093247.01242345 3871420.02337779 6392521.95006206 5240330.35382443 5414334.60182943 6046131.2738827 4562425.04116775 5009949.55634451 4345031.5917194 4294943.11520804 4407344.40925874 4411306.93133498 4406545.76429009 4033749.80937201 4248914.96753071 4394127.97183387 4637883.17641188 179433 185234 144675 138699 185482 183191 153310 159693 5621919.61157265 5229702.22590551 5023294.24926663 5396880.22999023 5142616.88437534 5179580.40474159 5022774.74402676 3797388.38088791 4320737.31779739 4072888.89684722 4133152.66772706 4340292.37508309 4247406.42188976 3985377.43538106 3951061.76031216 8025326.71803366 6087364.00872011 5128832.16875416 5076431.27529092 4059120.73478468 3692563.96323172 3387267.28486806 3511201.12724523 Car(10:0-OH) 19882.444147129 17747.8264326714 39713.2935921902 50158.5976166465 51343.6546444374 42531.9271194321 47707.8624408432 46665.8928922841 33410.9331547616 26108.0618814763 15157.7280391317 8207.09313357478 13762.1935935819 10609.6602344873 17621.1300923723 7760.08165052719 10061.2035747611 6283.55429678719 10336.6571846684 12473.4966538594 15188.1509870041 32315.8309060347 30433.6092065105 12272.7547225433 17021.4767383507 11624.9141249009 8847.52014398846 9958.73395743166 10721.4213241825 11114.1551288697 34878.0467239295 27615.9382125387 41782.0829552655 10821.2609327407 5514.21700070462 18327.9365541649 32627.1670655392 25341.5457599605 27439.696267389 33863.9873247735 8707.07989575408 12972.415277144 13187.7677239798 13426.6966837009 12406.6932706732 10990.7516304921 10485.5940740932 16129.7145721362 11093.7265790028 11598.2552103802 18882.8295150998 19591.0783653937 19769.5448925307 19006.6180767912 17818.8561081145 20177.0029191225 19233.1082660499 19717.1119207532 18682.692013024 nan nan nan nan nan nan nan nan 11795.2318569991 12172.4253677602 14279.7634775856 12633.3573345284 11147.6937896974 9730.38360939744 12241.1684539596 19043.6177365564 18851.6058322769 18457.7062228734 17541.0270193344 9934.81351048658 9284.05677556947 11133.1852652872 10032.8702711774 20923.0317973008 23269.4964627811 20114.0685089633 21996.8711058169 12412.745578164 10496.6057742493 11795.9503012928 11819.9563089701 Car(12:1) 84357.6181889554 79405.3270948906 114271.746980199 118628.971263633 119960.515647507 111533.990491791 85986.4776184818 83433.5595523175 50632.7505172615 46839.4023107605 98653.2355875507 76223.8937402247 100302.315404262 69018.1982903429 130697.247109978 65441.2744688893 76588.7531027435 52909.1723820964 73649.6740617508 80713.7270781028 65431.7631657157 94184.7557138665 83928.6964650387 53736.4132792379 58182.4484859036 94580.3341299709 57284.6727767566 68209.0605794675 88111.4108876318 79849.9677111026 90429.8137741332 81317.4256503011 101003.076795954 58796.9680280009 48580.6406745692 83499.9820151408 114859.399355292 61087.2217165673 73293.1686238644 109002.699545864 98914.3346102049 75865.7674111688 98412.5948764467 109375.854083883 96652.4317571362 95452.5243804085 80675.6312810747 118903.75579755 91516.5267024228 73689.5839542521 82404.3332708956 76180.1664812126 79864.5176860535 80835.127025352 78882.6119811108 82409.8506541487 80052.1612803892 79867.4395453204 79569.8843730674 nan nan nan nan nan nan nan nan 88909.7153972248 96848.1300556603 100069.453613856 95473.8858581358 97672.3993230672 95248.2574907366 96400.0316936944 79854.4873218219 82996.2489169662 86366.474145039 79961.6948795843 86426.9612528394 79920.9360590176 90347.9788784802 85408.6452312063 39729.2519564776 53143.5144936735 75803.7050971783 84209.3442348723 39040.0573047443 43131.5073632791 49624.9221758039 47893.0029186046 Car(12:0) 475270.861358223 400224.890919618 600438.580959464 829634.20084665 698868.17787426 657987.801407985 685361.104738102 634867.176275365 469330.799561558 307903.890993654 447352.438309961 377148.997065219 421575.436242855 323556.345583574 617641.311194899 348373.701497056 362357.266091534 255563.266532355 320478.419831936 361397.401002032 372710.970109855 510735.303171023 509335.599380929 331089.910664469 376985.04841699 430867.871986991 263592.954982503 307346.002268546 428367.049331915 386545.293045584 559479.645019262 510113.653079749 591774.378372251 320798.340334263 224295.969188585 457205.672220711 710275.90263713 445074.404120812 434514.753510246 619071.734021741 495903.297858846 338284.896136507 435303.078634859 441562.468812556 447201.197358184 436386.152863789 388026.210220001 501004.124220154 395075.395095964 344733.547688781 456849.874829954 455331.346692622 468408.409336469 462298.084021908 453632.064755551 470616.131042126 469949.425433733 459318.991011476 451050.053502485 nan nan 2319 nan 3352 2083 3297 1900 499786.842855689 486592.999385136 486768.353726828 488301.276305878 484089.73570598 482347.069746259 487317.844479544 460400.979544981 456189.54119832 455499.760603398 478117.798677057 646106.35586993 650284.180449401 653406.505496438 657123.971286051 733849.293836981 595811.879499016 544806.072662209 518579.675589487 314950.326467532 313580.905354982 304671.988890511 297092.913664747 MG(18:1)_a_b 2447715.34614264 2473767.70590697 3942373.19756053 2825051.34953048 3060339.6215963 2394465.27357891 2930917.35455419 1884690.55868819 2114461.75031317 1511179.45670478 509177.992887579 765415.161180669 1059439.42473128 1299174.2904929 1873911.65660224 524184.450636487 1206665.09097396 1356803.82644876 962804.396371064 1510958.4825085 1131259.36799826 992145.534610776 1328243.58165377 1312437.62216572 1009392.66231111 917883.108377267 690558.249514249 869616.340411053 868953.504928223 1015007.89750273 1192517.15796453 1462266.56680645 1383804.08470764 1013021.3855023 5389166.9291746 2335904.07998045 1658261.9835418 2007900.71671059 1065032.49951276 2624306.5724497 1334121.14629255 1088588.92417023 1571504.64097773 1096748.9936074 3715313.7489823 1631092.3824288 697234.484623352 1663443.34307514 1164311.35901551 1291240.64778229 1996080.54171008 1975818.14685518 2037259.93718615 2070960.32999181 2096408.04591505 1910353.04574642 2079705.87520317 2145226.53389223 2252699.71488821 151865 149037 68495 56497 159556 164363 62270 73230 2503429.04105242 2394269.58145057 2268959.54020008 2384212.95683538 2222340.33865719 2317201.94422046 2290823.09666908 1811886.09225914 2059593.64499277 1927293.50431806 2066638.30156397 2823532.03704517 2725952.77239633 2699622.45408307 2625877.95442035 4716454.63962876 3559944.41261413 3250889.74374078 3211711.4459069 1638151.49203574 1507870.24146023 1496988.26764001 1483290.3600904 MG(18:1)_b 2029170.04808639 2093711.65075437 3429261.38924673 2457830.24092987 2615305.4298141 2122143.48109879 2497499.17805762 1573164.40559768 1614370.02742734 1168575.480773 381781.075635079 584062.89280605 844931.091037042 1065857.18621866 1692557.18263201 365873.438883041 993277.037428819 987124.671814167 702780.417552889 1318073.27995848 776886.105600939 811576.354790301 1099118.91147404 848505.148558936 765642.935238714 746738.0308245 546096.129866823 688379.306709954 667783.282284552 779299.778515404 958544.734377162 1180424.53069219 1084804.81472381 766291.500349519 3328494.37346515 1995475.75577335 1367269.60297185 1482151.31340339 897406.894755998 2296120.55079658 1108460.82532542 882048.549603208 1339703.31862864 902552.981048808 2745170.20367476 1419592.89868791 534076.026677641 1412288.21310809 971757.1773027 1071931.0479673 1649402.61006609 1677549.42281808 1767820.37048652 1796845.35641569 1819564.73396222 1657606.12006786 1818791.98115932 1890707.93140636 1983776.53039911 68819 62392 38187 28068 70765 73481 31385 33551 2303688.92496022 2200268.35474652 2109246.27996695 2162245.60951391 2040874.18001275 2155448.73349099 2132801.25588472 1554871.41243348 1786811.5053487 1669208.46720031 1822086.9029617 2449664.17313606 2283671.07696387 2372126.69185678 2332445.41330634 3776947.38574783 2841444.47272779 2796527.6391857 2761022.72055904 1242482.30075974 1139468.14798088 1204857.47413293 1185114.76762669 GMP 127971.078203683 68103.9835826434 148853.925232138 83421.8027637628 160099.235602738 190805.763748619 108921.516238137 127227.274826807 73807.7839401467 37006.7656465307 51315.9740629623 26230.8650932947 43026.8536900198 35423.2467404642 39908.5560763849 26119.9003975687 50709.1135762174 24252.6218027355 41697.2619887851 33487.3930256093 41861.5532783931 87729.5023148869 55305.7538596426 58287.4809960803 59980.4366380231 30272.5407712361 39643.1494527189 22905.560919338 32539.1014210147 68567.9293923595 67532.7117018602 76427.1231798064 91561.6099945884 22308.7709246998 33783.8002118662 56240.5267102845 90952.9773329497 68594.125668486 69404.5637240096 75076.2108156488 32497.2085811439 32775.3954948473 29701.9879156297 29407.2898886584 30478.4227958472 30683.0876143214 32025.4501122393 40129.7378714096 36046.8062987766 32038.5247869081 79937.1466566622 84890.0778892336 80201.836893992 80829.2701386346 82346.3548337552 82870.0019614892 82511.4393850196 80358.1870576959 84442.1331105527 nan nan nan nan nan nan nan nan 188157.293966822 183408.13563075 177485.799608677 180775.350219021 169075.164227649 167389.777803969 169496.129268656 83898.296355317 76778.169015547 79094.7588974349 84534.2713487959 295594.726994394 274502.871358221 247049.876381584 254230.199851125 495958.733275928 345499.371853853 286166.782979845 274993.436581546 213327.669925563 211226.788593222 185571.396451573 190492.965424556 Car(14:2) 141662.492017272 125275.962395691 169522.239784909 215842.859863698 148502.957370225 170291.645895864 133347.997703269 148094.596845922 107475.010167085 77109.1371173619 165612.880075882 137936.086975502 172749.692579945 120522.393154121 246553.745518092 117336.184171622 136017.711335026 96336.4886451242 114603.955135888 135577.734509585 119280.22199569 153549.681332363 153222.307827704 111149.480324368 106143.996634457 171549.119147176 94925.8451817915 105559.028512971 171143.828473548 141340.61463965 148074.694708538 149446.614253599 149585.987966918 102068.363657906 80662.3751154804 138684.631861305 201857.17469966 104098.119936067 127655.626262453 179578.116434401 180706.718805367 119968.485708878 168156.062221179 179765.193175902 166580.183097652 172128.245298815 139367.595746186 202956.961430305 152766.131924107 132954.197350464 135565.07181786 136050.985630144 133071.695612213 135135.845890059 130821.628585798 136130.080936812 143805.87889628 137222.252521054 139234.348121014 nan nan nan nan nan nan nan nan 172655.130149982 174827.945514703 167814.081462865 175579.800146818 157501.395751009 171505.901432133 169887.4801887 142388.256951028 135889.032954156 135793.657825838 137989.136933458 171977.793721069 159864.5608014 184939.427817698 185017.621938395 206488.899188348 181103.471607109 184047.633353714 173171.683500447 110123.531709092 107967.617468256 111558.28365679 112526.317002992 cholesterol 373162.062399723 388296.117108906 457597.582413807 456829.452018384 543521.801015928 475187.39559455 381290.505988126 394029.729445343 380787.442522378 320798.59598231 334398.041026558 347507.361056897 300792.724773464 324418.87408939 360075.212167628 324601.355140115 362362.079447416 340685.115790564 308665.831590605 317063.050306795 368299.302937377 430754.271134277 441512.409749279 364403.635532168 367114.703069645 354691.119917609 335165.603418068 295673.792997102 328251.709811929 313770.914400006 427841.200708734 412898.259413158 462548.385718866 353666.487168251 358117.50843054 392267.240988014 454540.5250435 354144.898260207 391034.892253604 443540.854182345 347558.904673204 300638.768981366 319051.524717087 298004.000003078 355052.116725999 354830.544534125 357200.579224762 338230.703270836 360714.284816847 363572.402341386 377262.687327197 354287.841506881 362110.63442073 354180.564040797 361159.418428256 367203.439817004 367617.507010822 365463.640147294 371289.608197845 nan 5459 3488 nan 15756 7161 nan nan 218943.989080153 211872.687882699 212423.148202516 215339.876310874 218151.924263234 207239.081788457 211529.440091882 355215.915690201 358632.838740292 365784.461468551 369285.828458896 357985.508725783 352009.14191828 363552.778215656 352772.117065233 356816.658586179 367741.778141331 369396.268868261 372097.763764877 376850.221813926 356193.566008965 358512.857456354 350474.9918008 Car(14:1) 654695.123417462 670197.91345358 790845.251009716 1081620.97861678 678326.989139364 664755.063308591 673372.150733566 703983.514959211 482826.930097174 386597.331391889 813352.878344224 669199.432131731 750341.070954379 580602.351202128 1218725.12077039 532405.977526924 657717.118699382 440066.594691073 594758.039736756 663912.782258932 555885.039187282 588698.77512228 704263.89903006 472253.712159841 514443.308787222 817730.6430444 455025.3342882 548380.757718662 808443.199541001 650599.796545517 730880.692599987 649969.79650774 670994.142670792 515551.036639987 408554.405456058 704427.546847708 922569.655207277 534277.806860328 577403.987422794 868743.430386821 892698.558617227 638408.194374433 876852.845593577 896982.767500399 856722.725457219 836134.768365947 691117.330855204 1047229.27497964 753044.73993851 679502.967962049 704545.709509844 687757.411318971 686077.803888621 684905.592138465 677698.145492522 665543.275450505 679596.955127148 698144.04127507 697859.833481229 nan nan nan nan nan nan nan nan 772857.020996826 772045.966617768 770622.872434542 759038.713777664 758488.628919548 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339971.859248313 227989.535317489 192671.065896785 180212.273788586 166426.387745703 163650.46165722 159107.963326723 151894.938092252 154304.633279495 glycocholate 163757.501923862 36690.6108824693 304646.288913637 43176.0761707842 125330.437203805 106571.727665322 190686.088328208 53204.1059081116 71798.5465311145 17040.4087798161 308281.647511212 267260.879316734 278062.192511675 175626.169076172 115082.35481795 163010.759834822 410834.618205451 158012.255602727 95976.8185519271 236012.443309082 12690.9995712629 15568.3277594378 11636.8885371336 21799.7717472003 18074.6448773509 290854.580977677 141766.947677749 265268.337290912 135672.377365548 152737.140715801 17967.563602194 71669.4969089434 16209.9219975068 33540.2999037097 16472.5322636844 20059.5720985003 160307.94849026 99417.0799099161 34010.8922643655 42086.1270965919 54718.9625747227 43533.4400031871 252367.209355717 156263.787798645 344283.693474982 17802.581795157 120448.580845799 134642.544435738 103218.633505974 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23731.8431019577 59250.5869699401 22583.9159988222 36786.2527561843 35186.4654476868 45528.3856090112 25077.1203418556 37844.0210890566 17200.732241361 37070.7279026697 35332.676464307 21868.6667576999 41177.6719016148 27590.0930853203 23841.9925555232 32734.6367975772 64238.7472885804 28589.0860957336 26440.9855976334 47716.051255742 21443.9084753781 25779.2029114266 36712.7135089601 41123.2283689258 31974.8624116504 32391.2755632279 45127.6208524067 41671.2254965453 29231.6794444246 32380.0861412869 43670.0229336078 37912.9281106479 28770.7008442875 42260.3152897473 28049.722329049 61565.1239160285 57024.8168675321 40305.4709486382 29814.414520608 61038.8088061131 37583.4247659787 49438.1371702879 37628.1517635185 37974.4430053251 28521.4978406317 33520.4134488549 51378.6756355428 32649.1021698549 44530.0702256741 40288.0621220161 nan nan nan nan nan nan nan nan 32490.9639706377 28929.0005936654 32092.1303739296 27367.6360734546 39116.9941724288 30956.2394022176 34889.732987713 49792.4545387909 47011.2207123577 43252.3856795213 37273.9847100427 62330.6816282228 49257.8833356657 45187.4359324176 44677.334300927 21984.8847747582 25370.3009006795 27636.32373742 27429.4480344827 23161.5653331688 23776.8486625781 23343.6218499173 23336.7279594642 bilirubin 9601.0583730604 10410.123390721 11379.9621935292 12721.1628200792 16153.2109591817 15284.5142969251 9229.89528736728 7602.22552417017 5331.57496948409 5084.78611923034 8567.33420368 4585.39123913961 7476.0415111786 8954.32180433534 11643.8780781452 6468.75337971068 6325.06943000013 5448.80065396795 5781.15036325947 7878.40823109615 4517.01469666874 6595.18868007726 6225.53850530453 4068.41865284339 6652.29819546462 8257.81075691939 5232.54749547848 3630.95384040305 4814.63981754745 4088.69473076175 6348.45926114673 7083.21929939678 6599.47949668913 3996.59435942118 3642.07837655199 8848.42129460424 7046.42174974816 5226.09311263408 6723.0153706556 8671.25996734127 6597.46729807796 4057.24916779385 6071.08977829676 5401.87436346519 6194.38703168235 8869.24013260367 4338.10857262627 4995.30814740158 7172.51628230693 5480.35949158556 7037.00056910363 7753.48176413405 7095.39737286285 7478.8192122224 8005.54372810094 7865.11429059534 8108.48765702175 5890.13229526046 6053.00377481719 nan nan nan nan nan nan nan nan 5425.75388306818 5965.99119876643 6140.34273907013 6207.46569941781 6543.95736483602 5493.47335895895 6121.05858055856 6491.39944426244 6303.95012717012 7395.23674619893 6672.30453606261 2015.1788467446 3356.05493216578 4269.14716025134 2281.02394752311 8026.28355590909 5746.2477668671 4465.43526508183 5927.09130719013 2293.55978901774 2387.85344627473 2462.12889636958 2872.52546814093 DG(34:2) 23593390.8584942 25401649.1307958 22699674.0332349 21714577.6405555 25015988.4276131 8041590.68142928 22567163.4643809 8553095.99723351 18419999.9211191 20388433.8876087 6888907.15621904 18471868.9247506 13976851.6067327 13893510.3066566 19401001.7302108 13996007.7356575 12749357.6223638 16175060.6271585 14992489.5012179 14544625.0294762 15026654.7790484 21501212.8548361 27716605.0557363 27899147.4141746 28122073.4904881 17861864.122819 14973646.6845926 15903728.7929127 23493280.821097 22489754.6846738 24803478.491103 31985001.1119391 11826822.5317049 28168284.9918899 27146686.5001982 18222071.5781909 25692063.891443 28394405.5068234 17103839.6934659 26824190.4261349 8485964.74349405 23960948.074963 25047484.7304026 11420560.1052433 23246361.1726569 18856905.1398019 9219151.46054866 30758656.2159428 5987700.79833006 19813377.3776547 25842878.4810152 24186689.3124113 20994994.1114723 22159751.2278782 21837981.7758189 15898261.2597185 24675038.0029778 21434137.5778245 27369766.9283384 124795 119185 23869 24833 130697 127279 17247 18274 28529587.1102576 16470643.8381623 16737442.1625034 18693092.7912599 14209515.1463909 15982805.0474141 20582946.3972365 17182069.5131479 21201592.6107852 18473804.760935 18857367.4598932 33758226.9868807 33715441.8070465 29811874.2185853 28539887.3268956 39047916.1441955 27748786.5630964 24110982.622505 29719324.5686132 27153963.5586614 34236594.4812006 24189516.6672967 27241831.0484061 DG(34:1) 6175080.4644367 10864589.320641 7568704.49826505 6098661.71257924 11873862.2881026 3098033.8293248 6083109.25526869 3333571.57931504 5893403.50383808 6511699.64224903 1106746.28197611 9726697.68508506 3503335.49360379 5340983.10503654 7681756.76157477 2821685.85074325 3762923.5364995 4045950.93589084 4025615.62504624 4590374.71808375 4219211.03091926 4780322.87787197 10097151.5435884 10430775.8685226 11746661.0209339 9621669.05948051 4239424.98548766 4652678.03692449 5320629.69920664 8334814.55270739 9301176.07551655 9545905.49182337 4432832.07288401 8594168.70415942 10873940.685601 5295621.47175043 11009374.3046198 13256195.3965731 10840292.73164 9410300.99200525 4282535.48565767 12190324.1647402 12581062.0344719 3502602.4971555 10261583.4386641 8714980.16210102 6224068.19291938 13742398.2635039 2841986.51698228 8872708.41977849 12404991.2980924 6926003.42140353 7938331.97782435 7576526.24713476 7108281.77628595 9356536.08499947 11695423.9081069 8029769.95190429 12388381.0752242 111890 106194 28415 11918 141020 100797 17641 11726 11008398.1150135 7770968.14933013 5542967.69695459 8937814.90538353 8461595.10761465 10701921.7775886 7335306.48628766 3779006.3828779 6777939.06776954 9762343.65504724 6215561.19167175 16218721.5459585 17533380.6555281 17804518.4841169 17639040.6650807 18458157.3730326 14421679.7335625 8014548.02097387 9242447.78590026 14073283.1141091 16583759.0083143 10899266.2002027 14723691.9058867 DG(36:3) 17676382.0352503 23184373.4991588 22679391.3529282 22668478.1127061 23608444.0424862 6775747.58468128 16771645.3554529 7546467.80907547 11930355.0284047 16490684.4135831 4158005.99142527 11844898.5024596 12086400.9007825 9057478.66052093 15702120.0394262 9932209.14197937 9166190.99575107 12344352.9264057 10616472.4412174 9780065.93663911 9497636.39161565 19313987.3622854 22334511.9856637 24159041.9532157 25873154.2527864 13250673.2866497 10988237.7246587 11358507.7243059 17449858.893481 16709391.209583 18129226.3825873 28524065.3697166 8845129.74448877 20307196.1682372 24142962.6169227 12865228.3362061 22228871.3980592 21099528.020208 16397993.5834327 17854613.6870867 5135572.04175312 17303205.4746711 19141325.4984111 7809179.99543893 18764695.8121075 13906734.0058972 7372394.33085715 26555800.0420925 4545627.90006973 15738040.1305805 21741147.0885274 19817896.266169 17111910.8213608 17585638.0898255 14766090.9243433 12339610.8699884 20240069.6994741 17796135.1157184 24716393.723826 2371585 1883721 310377 173550 2525957 2253713 203801 203202 21292607.9404628 9793947.71453368 8931141.74420686 12878241.6477879 8116529.48519776 9797609.03743952 12910864.6054646 10766985.4405825 14852181.3915951 15471539.204889 13450377.3784507 24444086.0879179 22820196.9663702 21442340.1379998 21670159.4935571 35409564.4243291 26096347.3935114 25012442.7586013 28972537.6494586 27000659.907448 31822660.6668244 23037283.7030573 28726565.6057131 DG(18:1_18:1) 3659290.08900815 10163434.3477873 5165888.3497379 4265523.87167566 8208505.19183142 2391786.75742318 3490332.45988288 1356433.93549882 3720703.03961055 4242860.41962795 615006.462522431 6785608.13324328 1843904.44493318 3639363.54707882 4362836.83891574 1755714.71716262 2465488.71220925 2324821.74120561 1560840.26649938 3279381.42307694 3492723.32099364 3466176.0616477 7060407.42647823 6990250.64516315 7485308.37469329 5685334.20598311 2790144.50879311 2920901.57365959 2919153.12214023 5341009.6823302 7818404.41420171 6124292.92443554 3283240.20761712 6521427.16882532 7590003.17354646 3917225.87149059 6498646.35184401 7747156.19714143 7423224.81162906 7000541.95370605 2856193.34370842 4997075.57383395 8412158.25032555 2191958.15890017 5171360.7675065 4302687.60854669 3333029.63410868 8165728.88246863 1069103.89849669 5294162.82693256 10949913.2122754 4271858.88223974 5596131.07703449 4381396.6243314 4880939.56887563 6885802.33269619 9291371.72741194 5566659.14431554 6565202.23253762 93616 113514 26621 11840 140211 122862 20471 18588 5733779.65375393 4414152.10661726 2571515.21960724 4523184.06989634 5198009.53572334 7557443.73762472 3709007.01884982 2866559.55535936 4543455.34875693 4442659.31952198 3639855.93838203 10801361.7512443 11376870.091087 11165693.6580161 11774127.2011217 15780392.3893029 13941053.5463029 6085336.94671246 7126892.54088125 12439161.3349939 13751404.7887805 8231171.35507489 11023717.9187409 SM(d32:1) 682703.65181461 541480.095824163 1070592.63006756 871955.882787246 1035150.56064832 1346492.04717267 1032643.9178266 1077773.0964641 755630.219107783 741440.878623244 855225.740297344 401685.818225651 574520.326045118 465159.959971116 714598.976736271 566313.5718664 429695.318220273 416263.567904478 437028.425142715 479305.128217973 525314.79584971 717675.850695337 550324.748465048 460473.581448207 698816.016773104 451189.489819883 479595.546040069 381737.836813335 536535.487209541 562124.811315614 654190.238089438 550857.350701139 1329975.9762723 371212.960259269 342509.887799249 576708.741466921 704966.90658188 447892.092612598 561232.321518644 591963.405270277 598998.183997047 468707.548232098 403600.700249372 587083.617497204 492375.869502102 421540.756606102 388869.528588245 428512.938029784 726545.776356562 371500.528244739 293242.063879906 704243.966269991 778719.393765307 645760.229058176 592706.232875117 593183.472512619 594666.818704295 595133.347655183 754068.600966641 nan nan nan nan nan nan nan nan 698764.916639436 728710.628470897 726672.30301165 629516.399583147 619533.951659358 580280.60784366 773313.578855154 714598.098873018 703034.306252552 633845.884394121 575786.70362152 352860.032893053 344815.027042489 298187.942584123 293300.919385792 742269.397906511 895765.729540893 712422.917089044 738916.712645685 925027.759837126 703005.93217621 544403.164416056 638984.907676853 PC(28:0) 3228551.66301334 3324294.85245389 5696669.38264767 3888605.82245855 4941530.67850682 7567477.97393155 3447745.87563168 4228988.21680199 3127327.01401351 2565871.7457191 5154733.6600865 2712586.24331334 2936658.13725885 2475649.88552381 5078564.85702034 4282064.13567761 2916198.12192217 2691791.43943407 3154041.71355044 2908549.9933068 2689528.25847093 3423222.28420905 2950173.52703886 2281306.32565819 3001605.96848792 3635928.92117382 2860530.20122306 2471346.70918872 3613474.13727002 3357357.73363464 3029396.93683389 3739850.39406387 4852748.29586916 2245076.8916233 1664891.89440006 3433824.47262903 4049309.17584471 2244015.31426158 3145156.1136574 3544099.32295579 3247271.10708451 3576033.05793534 3424595.32988906 4108277.93597938 2960818.80523822 2885464.48665281 2565382.26583584 3192257.22726658 4885908.58339679 2584488.97117802 2977051.82483901 4004238.20562621 4527357.65967875 4688873.97705048 3699034.59883525 3777192.63552317 3855931.22271519 3945560.57787276 4050278.54984477 nan nan nan nan nan nan nan nan 6784105.25298876 7135242.87438051 6640181.98639524 6367141.99675754 6510046.11573385 6829748.63203292 7523890.55960707 4090796.02117197 3942541.2875299 3771921.02023972 3898383.06287015 4964821.15235562 5195408.08441026 4510717.20864191 4537863.27797797 4021215.15040008 4306933.67913352 4053039.2203185 4179372.13826722 4739408.08317088 4355302.00103976 4040031.33470109 4180230.19136889 SM(d34:2) 7796334.49957944 7384750.62753647 12527226.9303963 9709921.23886742 10276201.7099542 13518059.9994228 8903282.41025707 8617612.22146896 7633402.81116759 5663384.78030594 10322225.0538093 7397261.15714306 6784062.83092162 6027038.10474311 11322819.1835589 10493522.5079417 8201200.78205083 7416207.90603771 8046197.2250838 7976171.08908325 6381880.52900718 7852512.12499995 7756353.03839186 5684444.15104502 6684747.8737934 9289815.44742079 6824410.39375525 6807887.98141869 8496839.47705908 8545549.70047354 7473526.60966117 10180712.0448282 8798064.99256666 5599137.45533009 4494067.61086816 7737527.74460498 9833522.51294261 6168382.17497596 7696935.72778005 8859197.56535522 7054228.51885154 8374085.78759552 8781213.31736968 9406606.38081907 7925183.59080472 7667427.26673126 6884524.6243807 8635091.53291044 10096400.2855501 6962990.89566103 7190621.42718034 9727030.48468341 10317894.6289707 10701584.8745123 9064434.74546393 8695163.53732323 9128343.86124813 9487935.80232574 9488464.89074932 4700 3674 23466 13925 10948 11962 7316 8116 16558750.2270382 16434552.4351231 15957729.5876695 15248069.2484419 14777656.7545409 16324533.899074 15314932.8764506 9909974.98875008 9430607.15127551 8902079.21716737 9376475.72969886 13614137.0348962 13771947.3418224 13464691.8801991 12867921.6864022 11102801.8123883 12324094.0795418 10390034.5368815 10287048.1224642 12817514.4039223 11384794.4493867 10357217.4371129 11212511.7174809 PC(30:0) 2092289.50726897 1833529.05455496 2475918.2918457 2403103.51307657 2173272.07800559 2676073.04515745 2703806.86788514 2505321.86467002 2578504.19360629 2073174.99286691 2966768.01981176 2323414.7808617 2315607.67891839 2173040.69206578 2471106.07684095 2701741.37204437 2307521.63134079 2428569.39908494 2266115.48636811 2133319.04617914 1849830.62081985 1995100.46096091 1809527.51346265 2222542.46552604 2064800.70386907 2147248.95576964 2241215.79076987 2328698.66455916 2424018.62195316 2682625.1476584 1925595.47471905 1829745.3727877 2676920.47314334 1937373.94203625 1909368.66388947 2088715.60456502 2343039.23699446 2306278.01351072 2101955.00998318 2159867.51087203 2506698.87377327 2017438.99124703 2151686.82407649 2449223.09861735 2399401.78129466 2169221.83940284 2359427.79678786 2759652.49240075 2356316.8965351 2089176.40540335 2296938.67870434 2740631.74560827 2722837.07630511 2798402.93432117 2705601.97525536 2402699.55175546 2570116.14704066 2559107.36359016 2696354.39072887 nan 3537 2985 4942 7558 5400 4187 4782 3512750.9476129 3275121.09820285 3491504.51509011 3123540.20216996 2928007.42023782 3050821.71243923 3122882.74076548 2690768.97110291 2799370.92049473 2363058.33441915 2583083.31379219 3155922.36325203 3088597.65767994 2836048.74717513 2800890.11288954 4717374.0835085 3403312.35327404 2542627.5626434 2474875.99994819 2910112.3544389 2615474.69938812 2276515.43224411 2331455.95008579 SM(d35:1) 346933.170293617 487901.97686525 759271.995459579 547862.733657509 592595.412226989 661907.528367496 412236.767863133 378982.327479654 355867.127800507 307625.100556929 456802.257508195 319432.263835158 256335.550461314 283335.537513949 461635.014208263 462478.803653481 504786.650955931 370618.31890911 365528.275869555 424886.963214474 338263.036694521 464552.803389109 484963.101304478 275543.283067432 331366.676673041 440218.149183362 385808.146270507 396163.222006677 404529.419914871 434827.928881183 341186.074760203 480190.076498976 385313.922226619 322845.387398387 248369.992671927 427522.382525879 465128.809815914 297956.358573611 498387.7355637 432573.323627436 337781.738573389 360281.913042085 415334.006238444 466272.883073808 423429.040364395 412476.457244642 374532.261832325 508007.215999049 417403.400540168 402734.140039928 467218.091652038 476164.843972558 475516.860363824 483137.082456599 503853.86429882 483235.357151581 468740.27114398 508066.031533587 492535.254318166 18047 nan 10645 6230 62546 29722 8415 5675 997419.676154577 949618.976062673 1068042.59918868 999818.228044649 1081194.20877197 977985.406534503 1006144.66929267 479167.629033942 488626.213746613 498494.406555172 472368.71767092 674933.355935285 703256.015727481 682278.758837875 696376.889596751 652543.777947422 662547.371272113 644665.183455116 684756.769860129 721345.452674457 685483.889230579 674833.833799163 707047.473381693 SM(d36:2) 2194755.9930994 1860534.59680132 2219494.3319413 2249963.96918738 2096044.43572855 2245889.60800417 2558240.13753582 2208595.05150685 2536456.68491384 2036388.58931152 2256941.87835325 2311571.28491729 2148953.28946446 2022983.17490448 2243143.40695307 2310333.47393876 2234246.52826182 2250640.647655 2141191.91248527 1950790.12821908 1780278.25307823 1738859.74511548 2041614.45405991 2051478.56486882 1929454.85187356 2170017.21584544 2058293.68903659 2291030.78895161 2206792.87772995 2239310.97046789 2106313.54828839 2000914.39909234 2184014.47698825 2009835.81116428 1989999.51940474 2152290.8613892 2307386.57179013 2046322.44253475 1963206.27434084 2000070.62030135 2152585.12679945 1892542.63973498 2232129.58476171 2258815.86563469 2240651.60849899 2030411.58253779 2232731.94395007 2436625.15622469 2135838.91414128 2106976.66986747 2006305.74755538 2528246.07520294 2469748.79722797 2468851.66287214 2426473.65764116 2238168.4874024 2365188.30503396 2357812.83593917 2485679.57023396 15948 9415 22213 12315 20443 19718 9661 9348 2763835.28306344 2528191.18456565 2639011.70984629 2451402.38477498 2338840.30872284 2444006.57439025 2409988.91708027 2463333.31762974 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17531204.3996738 19480647.8289198 20285142.0590359 19736179.9289559 19802111.0564912 22958633.9260178 23398851.5090443 22628697.5532992 22665760.6893996 22210556.9679083 22185131.8477636 22817442.8436028 23094949.3854562 PC(36:3) 11365604.355407 13353004.3446658 13003698.1777579 11552705.886214 10224458.6532279 12592926.7349496 10828966.0099654 11713162.780418 10966529.9916639 11053413.1280981 15576991.6346056 13305196.0552543 15634041.3977246 14050452.3423077 16602606.1299011 14941523.3099395 15317761.4930665 12546897.7043251 13307546.0140123 16388861.9800834 13606755.7948352 11780516.2226269 10311611.8310299 12337652.0619655 11265519.071721 16458794.686075 13334296.2245159 14743561.2963904 14626010.0501852 14639869.1736014 10358392.1337002 12026804.2576249 11743812.6587226 12814820.2457276 13737469.8234084 11946642.2505942 12372842.2694727 12363886.3627717 11907144.6146683 12569208.7691235 14290194.8682263 14733240.3622179 14147769.8378559 14475860.0710185 14599892.1364437 15623542.1343733 13806553.3815259 17443294.3130217 14747978.4372245 13321780.3648973 14214461.5448331 15539569.7281802 15123888.9974001 14845513.6869203 15205964.3646001 14964558.0166144 14885179.5952905 14406382.1459982 14840365.1399551 53453 53009 279930 81884 348671 94806 82500 56563 16095841.9603049 14888357.0111152 15013369.2209715 15229918.3615015 15146623.8203998 14452509.1637632 14615920.6702724 15227567.0162956 14388871.2004277 14699120.5322982 14937605.4390001 18804702.7275071 18441301.8150606 17517093.85116 17476487.2931706 24486935.2493558 17742385.8660475 13995833.5891299 13544212.0601573 15625685.4471756 14145832.1676727 13327382.4412213 13005996.3299648 PC(36:2) 24556050.4788592 30255097.4631399 27476116.2054107 26071201.4922353 23601240.8582802 25988921.9457077 24959696.8344687 25373519.6235366 26389533.3695974 25669643.498094 26518937.2985427 28923712.6824436 27685800.6849936 27486898.1724297 28277527.1010053 27933916.5272539 31916190.7592255 27283357.7395294 26507947.8138335 29288342.0139519 29390502.898242 25971719.4346967 26434439.2209878 27294947.3157165 26839699.1440603 29997990.3618345 28709952.4980759 28455426.2665608 28660335.6286514 27630626.0146008 26224337.4003736 27591627.1814446 25005262.7715924 29076853.4284646 29603526.9945879 27387263.6479383 27672835.8583402 26023364.7640155 25859008.3127191 25669758.6694089 28994079.2009293 29908097.6695988 29469387.2286536 26635893.6435155 28050788.9096682 30440493.8060948 27064183.015855 29516135.2053025 28045373.9305969 27218172.2640984 25048277.1085613 27326301.1975138 27148654.3744577 27540202.996409 26990544.3743381 26717076.7301217 27526397.651964 28451750.7854873 27078666.4123012 51705 49742 321087 126229 304154 96138 93484 80771 27410876.7961137 26490976.2969889 26929947.9934354 26328025.4189111 26699782.7412708 26424212.1899873 27033878.6295956 27532901.4028563 27568205.9530607 27046024.5466974 27823125.2177167 28502035.3128204 28889340.18132 28419787.8068548 27550611.9694758 23884034.1094609 23718349.9824351 24067412.2827293 24121726.7578919 24962446.246148 25138078.3732237 24832687.4781975 25109677.0793294 SM(d40:1) 632599.246349402 785100.204341595 751620.670823247 634949.401364942 620620.755684485 1104320.4462818 932339.058180838 835947.939748053 832108.389942398 582973.069527856 936029.145136832 608439.03082215 619280.132964519 707273.162394712 316517.857702214 620421.755812884 620673.933055375 537984.060558596 403287.50348441 747259.747577148 688333.992317828 788057.188700975 1017601.5821488 372289.762187324 281873.116139642 499413.285854325 645148.165242786 949961.193691539 444871.704043146 310991.781554534 851112.970787592 510076.353682581 832385.146156794 410225.529476342 339266.78113834 736477.164928437 282492.265809374 725075.127284235 763684.099386092 806898.207275212 1016685.19434514 326714.549593635 631238.483409862 630312.652354102 407763.178113724 611216.398409569 471974.459109031 584168.949028787 593884.334625344 475046.082299016 429614.096266839 690109.831645333 837722.243709381 567591.047158951 1051811.84754736 877491.188333062 642598.319882999 784116.992959983 774020.28020573 nan nan 4061 nan 3722 nan nan nan 1043854.57049525 1236222.39071256 1363631.27529855 1046844.58084764 1287969.14423026 1261743.62313122 1293288.63833661 885837.701107666 833544.693221778 765741.869176669 1072343.82653091 822316.789301744 787818.501502764 814752.557286454 966204.763513743 957877.016218361 645734.324218229 928255.517659787 691912.216528634 474433.252939522 686759.881613202 628445.304207852 581799.763351133 PC(38:6) 2950497.23786701 2521767.37950159 2948654.21305768 2918975.71719808 2799612.60771183 3288424.64984913 2997538.96975553 3470245.68521094 3699804.90940698 5111439.36070183 4564791.95569633 4203891.4758538 5456838.08667268 4521117.0659915 4103580.82017925 8273811.40883285 3773258.71467778 6106927.96648067 6148367.23452426 3503491.37370485 4652850.39119552 3305244.3180538 3007524.4660005 3330342.25265877 3206897.00309183 5532566.00007981 4004587.91000663 3808079.52885613 4534921.68221433 4337728.90938036 3113039.23845741 6186120.15920071 4477456.69900869 3748937.32478803 3073830.06359659 3756871.55185329 3330724.19310313 3508256.23093025 2688879.96295397 2800006.67864527 3481026.23409326 9023973.95806567 4845252.75975918 3505723.76280005 4650456.05776295 3308635.65965616 3715268.45332505 3691723.57311621 7453731.57498957 3615339.56789343 3918761.95956216 4561914.40715912 4367859.93615349 4426861.66407267 4564027.83355842 4110582.25489912 4279290.59254442 4177754.78222588 4439488.67951357 48493 38338 125896 43115 100676 58410 34294 23603 3691876.58890974 3562391.11145728 3681173.97408018 3465220.00587677 3447291.90659132 3287266.42952254 3441783.75316801 4431010.59573156 4369427.39075551 4064206.68655913 4325631.57485548 6183563.02520513 5955574.98858435 5685239.0208346 5734392.16485964 8142078.88702901 5661924.02963103 4366899.62993629 4286120.96518369 4690415.99535777 4411345.15130985 3824733.12117469 3937501.93400383 SM(d42:2) 4601057.90631688 5568263.62812011 6174522.2390757 7419648.85068317 6452174.78079315 7179653.35385979 6803173.95848379 5761224.51394792 5491831.35360488 4459500.38228933 6023051.11004197 4122611.19766413 6240054.63720423 3863097.79486556 4378768.29590837 4686985.08323357 4587750.78043353 3692509.58471912 4285857.46148516 4067806.32411807 4465438.93245316 4986095.90479456 4902273.91895627 3398944.51819003 4367053.62996337 4801452.19269854 4603687.4134361 4539660.84010451 3390014.18115259 4101480.48791561 5333186.00723491 4388257.19366341 6184362.00145398 3663082.49389638 2603023.53016923 4833430.27759361 4468298.72438446 4901676.97916545 5682140.90654772 5595831.08254617 5122648.01989462 3448076.07537284 4855262.5254431 4125318.87849757 3993353.07215603 4872089.5555159 4663971.48934266 6045916.10412896 5087209.79119638 4340994.08683202 7158373.68482948 7067715.05531725 6437435.07241071 6340947.17084124 6588368.54831692 6687553.90511078 7162992.10995502 6537959.58932223 7678997.1921272 nan nan nan nan nan nan nan nan 6802271.02709703 5842447.13543923 6069205.25239222 5962017.48433182 5596801.25462636 6038914.78016808 6196486.28476437 6970561.44005143 5851012.07814625 6411216.33498386 7042117.52419314 9454782.12211732 9095693.10473691 8878011.27798188 8970738.00150196 11747813.3876887 6659004.59568048 4475325.4348274 4679647.40238868 7151850.4967751 7262851.78846188 4787843.24506662 5806197.66989825 SM(d42:1) 496067.962909795 1241589.34108467 1719970.88661057 1856414.2232633 787939.581940284 1839768.01138972 1077871.92001671 1242087.80069754 1118650.06855376 712893.43839596 1617782.69275993 531876.129955062 1035358.25580879 819216.094669277 1198932.09795933 1342535.47829655 965716.535353901 461629.447589386 689020.985025379 899662.646001612 1089257.94335355 1338603.77951717 847112.383975256 866896.695505153 1174517.55402609 1043948.48269445 757791.763149511 802833.87699307 1139271.32010446 560536.868719746 666660.244785463 622731.288224274 1629221.35958248 805164.916197991 603932.050079735 963777.076668799 617885.093375554 616693.77046257 1276860.75289056 1111906.53045933 1669224.93766886 577304.71916737 1425937.19763068 1083052.33456576 591370.802365685 927770.622800385 758693.250077318 642576.258025176 1369111.30862508 558826.938081553 733194.979343109 1396892.13646492 1616782.07420981 1437537.40560817 856669.600449655 1305591.12310241 1548630.35833373 854453.810215602 1030891.28283447 nan nan nan nan nan nan nan nan 1648919.96832687 1735669.55821641 1783196.60281062 1503298.95482851 1368902.04977008 865070.605161998 1743747.27419995 1581452.04978497 1208897.90165079 1356796.50093559 1131040.35514245 1577575.23328875 1918781.44515284 829158.918527456 913885.759534886 731557.908170924 1235941.80341026 542656.227894401 570617.92217616 1307659.6733216 967921.567064887 501739.033160596 527219.850147218 PC(40:8) 1762918.77472602 1767733.00358478 1731686.34255345 1960818.5974103 1908678.25346417 1755749.72162171 1797488.43448653 1901465.8573075 2056328.69767571 1873657.76621891 1586139.75083654 1714031.50898702 1578209.08083757 1671914.24626774 1614131.63305678 1462259.27751213 1786886.89295876 1779662.33936439 1783512.55386923 1492368.16061907 1735225.67047475 1864868.81346566 2129421.24767052 1837011.16412257 1967450.13964076 1539418.89120725 1898550.48192126 1556391.70033694 1793573.21300233 1594842.77138625 2086012.80856861 1895914.08697096 1939633.52363347 1909417.20857465 1617716.52844744 1920188.03928852 1915084.61900177 1683411.02866824 1829659.37574884 1828519.69957756 1796598.63232242 1768769.18829276 1741356.88770779 1582780.58804692 1674687.85396824 1763068.61081746 1856713.36403899 1464105.5821204 1811151.48306314 1799991.34371395 1382447.06957403 1640543.7319101 1617045.9387861 1599507.4074181 1531885.72395347 1548686.16902014 1648886.84893883 1695735.47764904 1716821.62484344 30370 20139 9434 11623 84096 36693 nan 3890 1636270.574743 1623399.41299041 1604160.45377474 1499765.40195366 1540656.85728107 1602779.87996131 1641838.20589453 1611613.71646524 1598536.70751994 1531225.89523037 1637719.56363685 1451516.34805181 1473168.24549415 1549207.37805782 1501588.11260726 1899145.04245705 1839199.92456996 1960060.48948317 1994055.48980245 1933870.68323777 1927827.50790451 2018472.22564261 2067020.77670971 PC(40:6) 1056492.25158788 988515.511440651 1267414.87268607 986678.962026574 894080.196512688 1363761.75029833 1098292.18319235 1323656.62031645 1331563.38071212 1391148.69451503 2314058.90433068 1889652.15592978 2354739.93698575 1888207.08498313 1860976.57517582 2495052.4005585 1625500.19320161 2031697.45106306 2083464.23228499 1503969.784224 1275971.42910611 1326273.9338853 1094235.87732563 1132140.19411496 1174726.39106672 2101319.79306163 2187106.00563001 2009414.40012222 2310513.58732238 1815225.0675403 1030675.98087286 1275481.89178267 1302607.6806189 1480021.23807242 1168783.9436419 1474344.36802992 948908.649372158 1213011.72643011 1005555.19832191 919427.2335806 1632034.08994491 1934803.34038167 1940394.79192576 1630437.82868234 1570384.55710135 1620422.01581395 1890344.53774552 1392498.07074389 2068928.75574876 1548736.18079133 1487596.54555599 1753997.12954061 1672885.78965503 1612542.00533763 1606926.97564992 1566344.9552688 1714483.33090069 1687269.99390402 1637676.04216177 19632 11783 30462 13222 14101 8457 3777 2188 1641406.18900246 1498441.96893426 1489208.30996601 1492742.61269221 1467000.29436198 1509048.13301769 1504700.46198288 1674018.88979476 1561676.78760712 1551242.20130021 1622268.95451129 2868048.56811465 2826638.93522978 2645056.57464234 2606997.36195588 2978808.92930984 2145456.72996972 1699654.94495211 1621596.59686051 1927618.77486784 1787601.0630876 1640331.82831387 1657972.74761834 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt alanine C3 H7 N O2 90.057676 89.0504 Alanine 0.69 choline C5 H13 N O 104.107676 103.1004 Choline 0.61 uracil C4 H4 N2 O2 113.034576 112.0273 Uracil 1.86 proline C5 H9 N O2 116.072476 115.0652 Proline 0.7 valine C5 H11 N O2 118.086476 117.0792 Valine 1.17 niacinamide C6 H6 N2 O 123.055676 122.0484 Niacinamide 1.34 pyroglutamate C5 H7 N O3 130.049876 129.0426 Pyroglutamic acid 1.2 creatine C4 H9 N3 O2 132.077276 131.07 Creatine 0.69 Isoleucine C6 H13 N O2 132.101976 131.0947 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 137.046076 136.0388 Hypoxanthine 1.3 urocanate C6 H6 N2 O2 139.051176 138.0439 Urocanic acid 1.09 glutamine C5 H10 N2 O3 147.076376 146.0691 Glutamine 0.61 lysine C6 H14 N2 O2 147.112676 146.1054 Lysine 0.52 methionine C5 H11 N O2 S 150.055976 149.0487 Methionine 1.14 guanine C5 H5 N5 O 152.056876 151.0496 Guanine 1.26 S-allylcysteine C6 H11 N O2 S 162.058476 161.0512 S-Allylcysteine 2.41 phenylalanine C9 H11 N O2 166.085176 165.0779 Phenylalanine 2.92 urate C5 H4 N4 O3 169.035276 168.028 Uric acid 1.25 pyridoxamine C8 H12 N2 O2 169.094576 168.0873 Pyridoxamine 0.54 serotonin C10 H12 N2 O 177.101976 176.0947 Serotonin 2.35 hippurate C9 H9 N O3 180.065376 179.0581 Hippuric acid 4.34 glucose C6 H12 O6 181.070776 180.0635 Glucose 0.6 tyrosine C9 H11 N O3 182.079276 181.072 Tyrosine 1.66 3-indolepropionate C11 H11 N O2 190.085776 189.0785 3-Indolepropionic acid 6.66 3-hydroxyphenyl-valerate C11 H14 O3 195.101476 194.0942 3-Hydroxyphenyl valeric acid 9.19 Car(2:0) C9 H17 N O4 204.123276 203.116 CAR(2:0) 1.09 tryptophan C11 H12 N2 O2 205.096976 204.0897 Tryptophan 3.6 kynurenine C10 H12 N2 O3 209.092176 208.0849 Kynurenine 2.68 FA(12:0-NH2) C12 H25 N O2 216.195276 215.188 Aminododecanoic acid 8.04 Car(3:0) C10 H19 N O4 218.138576 217.1313 CAR(3:0) 2.21 Ser-Leu C9 H18 N2 O4 219.133176 218.1259 Ser-Leu 2.98 pantothenate C9 H17 N O5 220.117876 219.1106 Pantothenic acid 3.43 diethylphthalate C12 H14 O4 223.096076 222.0888 Diethyl phthalate 8.26 Ile-Pro C11 H20 N2 O3 229.153776 228.1465 Ile-Pro 1.75 Leu-Pro C11 H20 N2 O3 229.154276 228.147 Leu-Pro 2.01 Ile-Val C11 H22 N2 O3 231.169676 230.1624 Ile-Val 3.73 Car(3:0, 2-CH3) C11 H21 N O4 232.154176 231.1469 CAR(4:0)_rp_a 3.04 Car(4:0) C11 H21 N O4 232.154676 231.1474 CAR(4:0)_rp_b 3.12 cytidine C9 H13 N3 O5 244.092276 243.085 Cytidine 0.99 Car(5:1) C12 H21 N O4 244.154176 243.1469 CAR(5:1) 3.69 N-undecanoylglycine C13 H25 N O3 244.190276 243.183 N-Undecanoylglycine 8.44 Ile-Ile C12 H24 N2 O3 245.185376 244.1781 Ile-Ile 4.62 Leu-Ile C12 H24 N2 O3 245.188076 244.1808 Leu-Ile 4.84 Car(5:0) C12 H23 N O4 246.169676 245.1624 CAR(5:0)_rp_b 3.95 Car(5:0) isomers C12 H23 N O4 246.169676 245.1624 CAR(5:0) 3.95 Car(4:0,3-CH3) C12 H23 N O4 246.169776 245.1625 CAR(5:0)_rp_a 3.89 Car(4:0-OH) C11 H21 N O5 248.148076 247.1408 CAR(4:0(OH)) 1.83 FA(16:1) C16 H30 O2 255.231676 254.2244 Palmitoleic acid 11.09 sn-glycero-3-phosphocholine C8 H20 N O6 P 258.109876 257.1026 sn-Glycero-3-phosphocholine 0.77 Car(6:0) C13 H25 N O4 260.186076 259.1788 CAR(6:0) 5.01 gamma-glutamylisoleucine C11 H20 N2 O5 261.143376 260.1361 gamma-Glutamylisoleucine 4.01 gamma-glutamylleucine C11 H20 N2 O5 261.144076 260.1368 gamma-Glutamylleucine 4.16 Car(5:0-OH) C12 H23 N O5 262.164476 261.1572 CAR(5:0(OH)) 2.54 deoxyguanosine C10 H13 N5 O4 268.104176 267.0969 Deoxyguanosine 2.41 inosine C10 H12 N4 O5 269.087876 268.0806 Inosine 2.45 sphinganine (C16) C16 H35 N O2 274.274476 273.2672 C16 Sphinganine 8.42 N-gammaglutamylmethionine C10 H18 N2 O5 S 279.100376 278.0931 gamma-Glutamylmethionine 2.83 monoethylhexyl phthalate C16 H22 O4 279.158876 278.1516 Monoethylhexyl phthalic acid 10.27 oleamide C18 H35 N O 282.278476 281.2712 Oleamide 11.39 FA(18:1) C18 H34 O2 283.262976 282.2557 Oleic acid 11.62 Car(8:1) C15 H27 N O4 286.200476 285.1932 CAR(8:1) 6.02 Car(8:0) C15 H29 N O4 288.216976 287.2097 CAR(8:0) 6.71 Glu-Phe C14 H18 N2 O5 295.128176 294.1209 Glu-Phe 4.36 5'-methylthioadenosine C11 H15 N5 O3 S 298.096576 297.0893 5'-Methylthioadenosine 3.96 sphingosine (C18) C18 H37 N O2 300.289576 299.2823 Sphingosine 9.54 sphinganine (C18) C18 H39 N O2 302.304876 301.2976 Sphinganine 9.68 MG(14:0) C17 H34 O4 303.251676 302.2444 MG(14:0) 10.98 Car(8:0-OH) C15 H29 N O5 304.211276 303.204 CAR(8:0(OH)) 5.6 N-acetylneuraminate C11 H19 N O9 310.113276 309.106 N-Acetylneuraminic acid 0.71 gamma-glutamyltyrosine C14 H18 N2 O6 311.126276 310.119 gamma-Glutamyltyrosine 3.03 benzylbutylphthalate C19 H20 O4 313.143476 312.1362 Benzyl butyl phthalate 10.23 Phe-Phe C18 H20 N2 O3 313.154076 312.1468 Phe-Phe 5.49 Car(10:1) C17 H31 N O4 314.232176 313.2249 CAR(10:1) 7.48 Car(10:0) C17 H33 N O4 316.247976 315.2407 CAR(10:0) 7.93 Car(11:0) C18 H35 N O4 330.263276 329.256 CAR(11:0) 8.39 MG(16:0) C19 H38 O4 331.285076 330.2778 MG(16:0) 11.39 Car(10:0-OH) C17 H33 N O5 332.242376 331.2351 CAR(10:0(OH)) 7.15 Car(12:1) C19 H35 N O4 342.263276 341.256 CAR(12:1) 8.4 Car(12:0) C19 H37 N O4 344.279376 343.2721 CAR(12:0) 8.79 MG(18:1)_a_b C21 H40 O4 357.300176 356.2929 MG(18:1) 11.48 MG(18:1)_b C21 H40 O4 357.300276 356.293 MG(18:1)_rp_b 11.48 GMP C10 H14 N5 O8 P 364.064576 363.0573 GMP 1.18 Car(14:2) C21 H37 N O4 368.278976 367.2717 CAR(14:2) 8.76 cholesterol C27 H44 369.351176 368.3439 Cholesterol 13.54 Car(14:1) C21 H39 N O4 370.294976 369.2877 CAR(14:1) 9.13 Car(14:0) C21 H41 N O4 372.311076 371.3038 CAR(14:0) 9.43 sphingosine-1P (C18) C18 H38 N O5 P 380.255376 379.2481 Sphingosine 1-phosphate 10.66 bis(2-ethylhexyl)phthalate C24 H38 O4 391.283976 390.2767 bis(2-Ethylhexyl)phthalic acid 11.9 deoxycholate C24 H40 O4 393.299276 392.292 Deoxycholic acid 10.67 Car(16:3) C23 H39 N O4 394.294676 393.2874 CAR(16:3) 9.13 Car(16:2) C23 H41 N O4 396.310276 395.303 CAR(16:2) 9.32 Car(16:1) C23 H43 N O4 398.326376 397.3191 CAR(16:1) 9.62 Car(16:0) C23 H45 N O4 400.342876 399.3356 CAR(16:0) 9.92 Car(18:2) C25 H45 N O4 424.342876 423.3356 CAR(18:2) 9.79 Car(18:1) C25 H47 N O4 426.358376 425.3511 CAR(18:1) 10.04 Car(18:0) C25 H49 N O4 428.374076 427.3668 CAR(18:0) 10.3 alpha-tocopherol C29 H50 O2 431.387176 430.3799 alpha-Tocopherol 13.41 Car(20:0) C27 H53 N O4 456.404276 455.397 CAR(20:0) 10.6 glycocholate C26 H43 N O6 466.315576 465.3083 Glycocholic acid 9.56 LPC(14:0) C22 H46 N O7 P 468.308176 467.3009 LPC(14:0) 10.55 LPE(18:2)_b C23 H44 N O7 P 478.292876 477.2856 LPE(18:2)_rp_b 10.81 LPC(15:0) C23 H48 N O7 P 482.321476 481.3142 LPC(15:0) 10.83 LPE(18:0)_b C23 H48 N O7 P 482.324376 481.3171 LPE(18:0)_rp_b 11.44 LPC(16:1)_a_b C24 H48 N O7 P 494.323876 493.3166 LPC(16:1) 10.72 LPC(16:0)_a_b C24 H50 N O7 P 496.340676 495.3334 LPC(16:0) 11.04 LPC(16:0)_b C24 H50 N O7 P 496.340676 495.3334 LPC(16:0)_rp_b 11.04 LPC(17:0)_a_b C25 H52 N O7 P 510.355276 509.348 LPC(17:0) 11.25 LPC(18:2)_a_b C26 H50 N O7 P 520.340276 519.333 LPC(18:2) 10.9 LPC(18:2)_b C26 H50 N O7 P 520.340576 519.3333 LPC(18:2)_rp_b 10.9 LPC(18:1)_b C26 H52 N O7 P 522.356276 521.349 LPC(18:1)_rp_b 11.16 LPC(20:4)_a_b C28 H50 N O7 P 544.340576 543.3333 LPC(20:4) 10.81 LPC(20:4)_b C28 H50 N O7 P 544.340676 543.3334 LPC(20:4)_rp_b 10.91 LPC(20:3)_a_b C28 H52 N O7 P 546.354076 545.3468 LPC(20:3) 11.44 LPC(20:3)_b C28 H52 N O7 P 546.354176 545.3469 LPC(20:3)_rp_b 11.44 LPC(20:0) C28 H58 N O7 P 552.401976 551.3947 LPC(20:0) 11.74 DG(32:1) C35 H66 O5 567.498576 566.4913 DG(32:1) 14.35 DG(32:0) C35 H68 O5 569.514276 568.507 DG(32:0) 15.16 biliverdin C33 H34 N4 O6 583.254276 582.247 Biliverdin 9.32 bilirubin C33 H36 N4 O6 585.269976 584.2627 Bilirubin 7.88 DG(34:2) C37 H68 O5 593.515176 592.5079 DG(34:2) 14.66 DG(34:1) C37 H70 O5 595.530476 594.5232 DG(34:1) 15.42 DG(36:3) C39 H70 O5 619.530776 618.5235 DG(36:3) 14.89 DG(18:1_18:1) C39 H72 O5 621.545876 620.5386 DG(18:1_18:1) 15.69 SM(d32:1) C37 H75 N2 O6 P 675.543076 674.5358 SM(d32:1) 12.44 PC(28:0) C36 H72 N O8 P 678.505076 677.4978 PC(28:0) 12.55 SM(d34:2) C39 H77 N2 O6 P 701.560276 700.553 SM(d34:2) 12.55 PC(30:0) C38 H76 N O8 P 706.538776 705.5315 PC(30:0) 12.94 SM(d35:1) C40 H81 N2 O6 P 717.588976 716.5817 SM(d35:1) 13.14 SM(d36:2) C41 H81 N2 O6 P 729.590176 728.5829 SM(d36:2) 13.02 PC(32:2) C40 H76 N O8 P 730.537676 729.5304 PC(32:2) 12.74 SM(d36:1) C41 H83 N2 O6 P 731.606476 730.5992 SM(d36:1) 13.43 PC(32:1) C40 H78 N O8 P 732.554876 731.5476 PC(32:1) 13.07 PC(32:0) C40 H80 N O8 P 734.570876 733.5636 PC(32:0) 13.52 PC(33:2) C41 H78 N O8 P 744.552276 743.545 PC(33:2) 12.97 PC(34:4) C42 H76 N O8 P 754.537576 753.5303 PC(34:4) 12.7 PC(34:3) C42 H78 N O8 P 756.551776 755.5445 PC(34:3) 12.97 PC(34:2) C42 H80 N O8 P 758.570976 757.5637 PC(34:2) 13.25 PC(34:1) C42 H82 N O8 P 760.586576 759.5793 PC(34:1) 13.65 PC(35:2) C43 H82 N O8 P 772.585476 771.5782 PC(35:2) 13.55 PC(36:4) C44 H80 N O8 P 782.571076 781.5638 PC(36:4) 13.17 PC(36:3) C44 H82 N O8 P 784.586176 783.5789 PC(36:3) 13.37 PC(36:2) C44 H84 N O8 P 786.602176 785.5949 PC(36:2) 13.91 SM(d40:1) C45 H91 N2 O6 P 787.667976 786.6607 SM(d40:1) 15.15 PC(38:6) C46 H80 N O8 P 806.569876 805.5626 PC(38:6) 13.12 SM(d42:2) C47 H93 N2 O6 P 813.684976 812.6777 SM(d42:2) 15.27 SM(d42:1) C47 H95 N2 O6 P 815.699576 814.6923 SM(d42:1) 16.49 PC(40:8) C48 H80 N O8 P 830.567776 829.5605 PC(40:8) 13.3 PC(40:6) C48 H84 N O8 P 834.600476 833.5932 PC(40:6) 13.75 METABOLITES_END #END