#METABOLOMICS WORKBENCH efahy_20230425_000091 DATATRACK_ID:3988 STUDY_ID:ST002673 ANALYSIS_ID:AN004345 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 Lung Powder ST:STUDY_TITLE - Untargeted Reversed-Phase Positive ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Burant ST:FIRST_NAME Charles ST:ADDRESS 6120 Brehm Tower,1000 Wall St., Ann Arbor, MI, 48105-5714 ST:EMAIL burantc@med.umich.edu ST:PHONE (734) 232-0842 ST:SUBMIT_DATE 2019-09-19 ST:NUM_GROUPS 65 ST:TOTAL_SUBJECTS 50 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CS00000MP-01 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191025-EX00979-A003-IN0028-CS00000MP-01-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-02 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191025-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 90578016606 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191025-EX00979-A003-IN0028-S00042326-90578016606-P.zip SUBJECT_SAMPLE_FACTORS 8904857C-2073-4BBA-AC7C-1EC239E5BFF7 90581016606 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191025-EX00979-A003-IN0028-S00042327-90581016606-P.zip SUBJECT_SAMPLE_FACTORS 1F9BD644-303F-43E7-94BE-FF6654306F5E 90585016606 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191025-EX00979-A003-IN0028-S00042328-90585016606-P.zip SUBJECT_SAMPLE_FACTORS 0409BED3-F9FE-4C06-9920-74F5E5CA04A3 90587016606 Group:Training | Timepoint:2 weeks of training | Sex:Female raw_file=20191025-EX00979-A003-IN0028-S00042329-90587016606-P.zip #COLLECTION CO:SAMPLE_TYPE Lung #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 ST002673_AN004345_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 90217016606 90218016606 90222016606 90223016606 90225016606 90227016606 90229016606 90232016606 90237016606 90239016606 90245016606 90248016606 90251016606 90252016606 90254016606 90258016606 90259016606 90265016606 90266016606 90267016606 90280016606 90281016606 90283016606 90289016606 90292016606 90406016606 90410016606 90412016606 90416016606 90420016606 90421016606 90422016606 90423016606 90426016606 90430016606 90439016606 90441016606 90444016606 90449016606 90450016606 90559016606 90560016606 90564016606 90567016606 90571016606 90576016606 90578016606 90581016606 90585016606 90587016606 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 CS0UMRG01-01 CS0UMRG01-02 CS0UMRG01-03 CS0UMRG01-04 CSMR80016-01 CSMR80016-02 CSMR80016-03 CSMR80016-04 CSMR80017-01 CSMR80017-02 CSMR80017-03 CSMR80017-04 alanine 906387.167189326 529741.966265065 667263.717251905 759651.010332758 816202.896001038 678649.52658038 658107.474160249 695053.08384207 945309.719873962 615827.749103393 662801.559660201 748274.362301868 976537.453557209 874457.408782679 696000.82157542 685784.606057866 771703.322871927 675105.920983937 623349.542940703 650587.927346197 778564.851668723 901886.90878621 869285.511649078 649364.113670388 512705.632893107 644727.623726878 702698.816682742 721988.426856246 667953.63322576 668639.057020437 655107.342242011 554776.76034072 580072.827529077 524930.729362335 738029.894965708 773474.137265273 641327.587542917 864997.523582021 471278.672011103 608793.465389105 635991.318872078 675896.584683665 1201042.5492199 659778.034820152 916977.041235078 662558.928060065 673526.209248935 938273.797124165 817818.506553488 896785.727283616 1295243.68824006 1344074.91955544 1364626.43054842 1308938.27188502 1315201.35326713 1309721.2761048 1316076.64897319 1359370.63203911 1349412.58749199 nan nan nan nan nan nan nan nan 2481322.98633594 2477579.37508414 2515893.85473007 2588054.97988375 2599561.64148403 2479909.83528991 2602939.57495308 1315867.04951576 1281446.08876414 1337576.13993694 1407161.60827127 9331180.723387 9926096.59228521 9377111.60904924 10080711.4528184 1235436.71158627 1248629.45751285 1271217.17471275 1237609.26162903 993366.023284012 1027223.85488049 995525.220360976 970260.950441419 2-piperidinone 14325.0993391776 11649.4935630619 19725.5446210682 28496.5023355693 15933.5057032757 19931.4354761727 20473.2904892587 23981.4883897806 20620.1525582185 39898.2294269268 29968.6167033318 14270.823385623 19272.2950769806 11988.1535971849 17858.8653540703 15833.8187427164 20020.951894784 25038.7648226501 13609.4833586634 16091.3742545946 12518.47554115 19252.6494767381 15343.5513953923 18493.1111517642 18551.4680907854 9585.00497765172 13208.4258610593 15989.7934810931 11369.2667505015 19058.2288361742 13701.197430474 17495.6428265103 41028.1366912918 15199.1520628909 18996.3168359365 24590.1270544132 29494.456512142 17147.3503079845 14376.7350671072 20148.8945523864 14098.0378521097 21458.7654002652 15013.013906752 14521.8152507778 16382.6638176813 18960.6563203316 17293.7302799023 12464.3339440406 20688.8435437392 12147.2055748216 12322.8310690328 15689.4086664648 12811.0870138595 17191.2133643036 16877.4629586602 15251.5032027003 17149.877125508 16886.065883604 16932.2749920431 nan nan nan nan nan nan nan nan 27067.5420550807 23961.5726851476 20366.1007111999 23844.9888005522 22954.4874860017 23781.7792947351 18094.0087506818 21440.9872780612 15169.6522576527 18550.7104866245 18139.3382146805 48474.4782941207 49994.8884135996 45738.9045030017 40849.6050372656 18237.7751754175 18955.4641711697 16986.9287480548 12142.025406033 19814.3402289555 21947.9182721024 14574.5589517442 15393.2183090518 aminobutyrate 38974.0765300767 30858.0238613329 35475.8762876512 39971.476441552 29681.1548061584 34591.852423545 42599.0156263094 45760.1458955868 34478.4505279017 40250.5922410664 58598.9113396651 40843.7302022739 48935.6360768181 43948.3542660757 42159.3098783434 31785.3977859277 40660.7538616755 30994.4085630142 36370.9637663202 38227.7506507263 39683.0932180852 40913.3235286463 40758.1538894688 35813.1150620253 35460.7701486518 36064.1389142931 48423.8515308944 35022.8953627786 33871.6963644036 37761.2709094118 43657.5529014328 45310.9035731951 60510.4954941896 47368.2030252934 43624.7560731554 40469.0884440759 50486.133886771 52918.9719520014 37136.89571709 44251.8483636311 43196.9585492674 39934.4199338103 40471.6123367299 48976.6197788809 39635.8957806991 40418.9522829084 41981.9615639232 45163.7061547203 46570.8045691894 44856.1591038006 38006.0716580801 37170.6861039854 34355.7987028989 37610.7168043949 39797.8328383596 36658.2283333681 37823.0492831699 37244.6259757751 36379.3667495802 nan nan nan nan nan nan nan nan 45047.75579224 43079.1209587137 40990.8477116435 40807.9398604529 44209.4904948873 44214.7945376481 47363.5345246746 39887.6652221552 36919.5899574165 36273.6638009087 35197.8728407599 3509.56920375454 2188.08501315223 2653.03617619668 3187.50221398127 45702.2371538789 40594.0798144329 37263.4572564925 37358.8838485081 40706.129780658 36142.9002540607 39541.1043819109 37805.5963319308 choline 666031.637052149 373787.110634003 471284.656633152 3819886.93994064 571754.923002679 635128.909291968 301308.34399008 386535.635545457 445719.841724961 3624370.42275884 320351.126637634 344217.945335836 363981.113990144 433547.503673095 306284.96629121 301835.196974718 213388.720833048 366195.229936353 323152.203489833 445863.409586622 343372.701342656 417891.408160551 315972.773918386 362455.21666621 277081.66685479 306918.639623897 3551135.40801567 2703382.69351019 304311.349141178 607887.715668497 368589.337068241 417100.689225918 2755680.67809103 374409.201420546 294103.562702581 381689.325407498 295652.449732922 2673903.82425585 263471.337493935 306498.180157573 358889.200988783 522169.09818807 571512.297226312 544793.911009114 578223.309305413 413924.232776881 296814.70125606 238292.735844885 532154.097060054 583303.143922482 300710.970114455 354865.714832218 2081218.08414955 282853.640894904 357055.989405563 108286.405931445 278095.532394891 249880.996472751 2104935.39072319 33627.34002 28791.00751 21602.88956 22610.7055 47424.0786 60356.30681 21606.22052 25970.08605 594959.556716793 685448.967221381 4276687.33892996 1016124.70445221 663029.521176921 1008890.09371554 1043671.21299654 321198.922561934 230181.35266839 103457.706613486 374304.19561107 26457.3114714456 128548.439933712 39096.762599216 151305.170752192 313363.932397302 3805745.68934799 583237.010501703 457625.321724104 606288.472241246 675928.391436829 675997.111979674 530955.621121988 2-acetylpyrrolidine 10101619.8658485 6808945.83775955 11053829.5857942 8392128.96641625 5533374.50983465 4661281.80027059 5498311.89897754 8167296.80275782 8282624.90076657 9026884.86843017 5542812.30373818 4564776.43167425 4085437.50715065 1374373.4138455 3478907.14557233 3983880.82181635 6975344.0291365 11134437.2346187 9753776.71453942 4222436.04267559 4009985.91016504 3885310.01982965 4318116.54262407 3806127.07951165 3825296.18128716 3474334.67945908 8732113.8186702 11697501.2452856 4106454.40834047 3359720.94590278 3536199.02516803 3671493.75452018 3770061.2507724 3457723.01203111 4479617.19991706 11452609.1726861 11741629.6047204 5915518.70198252 4020440.3464225 3827974.90505802 3584727.40910364 3517568.42286464 3850845.77173027 3798096.34436343 8426625.30204286 8219337.88872382 5154967.34265171 4550579.41369766 5750577.38241619 7203234.1999532 74544.3792062239 82935.3541229043 89473.9873389002 79910.6978384491 84563.8475914441 76386.8508795386 87400.4725544003 70390.3778965303 80684.5581000223 183021.943 192843.5198 147715.225 156834.9271 18315.57276 15122.84465 12402.9312 12707.56146 5344460.39823508 5058984.71482883 5013718.26472392 5089706.27529625 5013308.68232324 4921816.33055677 4950879.91045269 93896.8506962012 75172.2834135291 72889.4142863788 86671.4327962364 67298.9980521494 86164.5739348465 78729.9038935195 83183.220181327 94325.3934836845 71142.4399300248 45270.4360180376 58408.2533487064 780767.019868472 61554.765107799 62088.280855972 53463.0183187504 proline 808168.176650272 624973.994554451 752131.08898137 720754.389744109 751656.505761205 869348.961989912 739255.634575449 799921.663786165 839444.316172437 791636.624069133 813591.685245983 811950.318664033 775441.371183023 721994.696515729 871415.861385364 953364.334630072 947219.180762904 963218.315548038 802219.304580665 902815.213188889 695627.879268846 755505.627980138 681012.76313242 814351.200035186 729903.707457282 742129.598582509 802749.689263504 981957.068557871 748879.080325767 853517.554545411 789970.709429601 117000.008638479 110317.593344746 119628.851660875 567613.686592846 768950.419201647 884689.455470252 774938.848707702 716443.265929185 760054.507479295 841160.284500033 717968.995667578 687383.933455493 816012.701121915 826713.434794043 676353.563291885 786741.617287585 704112.77698926 693263.783936936 744955.021588806 702081.598655871 746810.29848031 741259.411124132 742207.167921273 757372.642189492 743741.630706021 747847.137763581 732707.973472609 755394.437142067 35668.2613 35202.34562 23458.84119 22289.55948 3398.765678 2128.463398 nan nan 70586.7422262227 486582.162069747 601816.228014424 586689.072415967 603136.974937321 604018.560300443 590022.809153779 726159.557653125 735940.046419049 740196.91804494 765257.126035761 235417.090631202 121962.830861932 218569.126936467 236246.681243543 164553.493649948 764282.908793636 792476.064587741 659703.211530309 810969.294238313 653705.322441973 698499.233987175 683803.91553339 valine 1719005.95632728 1137536.53489122 1604690.05598405 1165038.70133203 1548702.32079504 1414040.63844437 1665648.76279823 1370053.89374597 1847423.2587149 1368630.17091943 1761579.5832113 1559165.78324081 1862695.1577506 1733729.55978894 1558497.49539159 1494659.49807435 2101079.74746345 1527332.27719612 1465956.14444383 1853631.28624942 1283943.76526168 1387779.47498094 1365219.52089068 1047372.49866207 1378112.83712572 1480663.38791356 1368871.01948849 1638445.7681246 1423820.56911899 1629242.4804598 1457349.72000331 1276183.53668479 1375182.06446074 1049274.68110433 1294845.5015448 1439621.2901947 1362661.10384212 1836703.19903142 1137202.62518853 1326439.16711719 1469093.58158455 1407446.15270843 1454870.70836861 1589471.37044217 1522097.15213535 1240370.76418641 1391909.97234985 1809060.41040537 1569228.73930746 1433359.32763599 1791799.28435227 1682287.06927194 1790701.46257192 1751255.99871107 1805721.54751911 1810151.69411223 1848693.09841337 1806650.26289282 1813518.2710252 nan nan nan nan nan nan nan 15265.03223 1028024.20064795 1174503.62373558 814968.274595764 917379.581833254 960156.467901296 916456.753466875 802583.923561314 1699885.37017472 1581928.45668408 1762404.43457891 1710668.69655899 444516.559927683 328510.298952037 439523.474157842 330952.918299193 1133456.36270918 1124438.85499494 1111394.39640774 1209281.70991826 1166844.59999156 1287955.62694868 1292553.51953242 1377298.76595251 niacinamide 16505787.8891018 8315794.18814023 9065548.79123243 911650.457562398 14258317.4546953 11034289.7263369 1260080.48270683 11492380.978201 12310260.3101306 18201358.1080263 8811325.14912756 11565041.197196 10247506.6519183 9104384.41582237 1067892.97378965 9333423.06107267 8249384.79308926 941254.862447928 1025618.69165578 11076126.7724894 11662942.2480421 21632349.6932216 10231044.0064751 8565643.89259293 11755094.8233453 9155434.45564511 11696267.5152213 12953176.0703749 12713396.5450637 11974169.7588357 9989158.72300144 8381051.73465133 11077054.6153882 11843914.94562 12310135.0695446 13196106.7689657 9459580.40947142 13829785.2480857 8705794.4608722 1298061.63630719 7584474.82611465 14006036.0146017 1077105.55773113 10325323.6493151 13287934.3656997 1169696.07469053 11543745.7849184 11502769.098907 9504168.86769838 13782394.3984405 11897998.2120596 11676296.7195786 11750521.9958614 1061275.80417106 11931206.6491931 11843212.8207074 11687269.5758509 12006567.830994 11999178.2483075 nan nan nan nan nan nan nan nan 22752411.8555513 23260563.5511711 23485998.6363186 23996088.6599332 23825438.7417678 24510764.5098497 23641226.0809918 11491375.8427785 11901233.1493087 11911410.0671901 12203166.3281207 2928695.12957962 2920295.9902834 3073072.3411983 3067177.49685109 13755690.8713364 14122510.2086646 14600699.1174973 14445644.8055229 13173825.6191284 13166014.9382962 13692597.8399302 13408170.6819886 creatine 583891.580041972 350454.195792516 3957811.5766087 1719360.18459915 376670.528039439 3840645.57765244 2227722.01675226 238181.424846858 4789397.88853644 131388.846108716 103715.831026223 355949.477676378 125908.462158977 3729685.07942499 6574668.57863567 534371.842391063 2786263.7258057 274176.578006623 3435876.1125408 3422584.68525659 358404.87380621 4051108.50230327 374557.01950922 497973.46647844 632453.17963647 8243332.69626504 197156.86619371 427153.105175082 6646687.4037054 4416655.31457147 297706.921556415 254208.492359679 818821.309743271 667216.029240258 3618289.08372054 3811483.98334792 3281196.49402738 217280.538722879 4202960.4470357 311248.188685671 304100.522894697 4117421.84780345 447001.235339625 273644.06285159 1155787.63875113 4533602.46067152 537240.723489198 6953960.8464509 6709026.87246368 429749.925139589 687870.194622672 261411.587213702 3152995.74717304 2249215.39865055 3014947.65798997 3235225.20288298 3989318.56604861 423861.803790522 325941.132540121 66440.71601 64098.68761 49625.24942 52981.42692 7412.408463 10123.36863 4630.748894 3847.323149 485687.077798048 602404.762479937 454746.38282535 489044.735212254 653009.207826026 658334.758855145 619690.228640261 2823227.41322767 3514122.74524994 565721.714708316 379808.42597264 89571021.4985005 66793223.8779339 203964200.220746 171650385.783545 24753279.6347603 1316057.89924393 13292528.8251611 13561364.9577212 10980460.3139996 1258546.16071582 14229221.9700651 15369118.8077438 Isoleucine 339087.120525725 263966.82726037 333249.082579278 251877.522509404 372015.107071185 362893.523014362 281240.457628954 315169.325010965 392623.539927751 278767.948747985 345026.328335535 301940.778398644 431976.234719922 431399.664508264 379857.436890505 406422.848781976 340744.605035851 311120.598534163 391403.488006737 390208.85823582 296283.775498943 323080.725921463 267073.769312973 290249.619669528 278148.874824572 350507.746257747 357325.148815532 368103.408310419 336995.668585584 353736.447750986 259906.198100631 283527.766972406 273293.626964908 312956.030742158 269589.717366989 308759.147673166 304011.757064462 334464.273611192 252336.007665795 262720.469113533 392110.804637219 266503.80146241 466059.025824915 391867.718372505 384606.639948502 312293.124559275 342877.949679566 344434.959135012 376167.305394489 424290.345822585 322325.546136411 325645.742671523 328771.874312903 339078.367024334 328760.070019955 335657.024400031 340997.831052856 349557.654446208 351136.576440146 nan nan nan nan nan nan nan nan 362502.585268975 372867.276651252 375917.901912951 359427.605952544 371762.764794132 365444.947054186 371444.102012909 333941.387351772 331765.592614338 339980.087883947 327192.44029762 195732.893876196 181367.406116514 185309.983039342 185206.674613013 291201.352496641 280114.725026934 293768.446175859 299729.44280299 273877.640762644 279966.287321239 280412.18191188 283987.916985808 leucine+ isoleucine 1051472.08038887 761184.513827926 1021957.03904708 861553.230034603 1262519.596536 1231049.58875097 823240.286191246 921352.537096251 1297093.97931884 983354.021284333 1077811.4960827 999551.111675923 1185238.42753973 1295057.56300005 1125867.31845477 1358785.48407096 1061919.07880183 1073103.73937577 1145137.25642939 1139791.4644912 901663.39294144 989582.524339857 789028.025599322 952837.084210584 948876.074153637 1027406.30907661 975846.133419031 1003598.15205001 919736.180473292 883356.572777514 778734.92754081 724692.64998765 795415.9792384 1136377.3655052 805022.352187374 912504.267859492 809250.169784002 886409.845194759 702925.92817661 665750.861118559 1159416.55696062 824206.624866902 1245007.16455952 984602.88070073 1116865.22265535 874962.345541844 906711.550061834 867838.159070876 997765.927840039 1109936.82171095 1044061.26548443 1082665.2821459 1059884.95248806 1009937.17635887 1034613.57914866 1081034.1757845 1045229.9108512 1048429.88857533 1036738.92311672 nan nan nan nan nan nan nan nan 1660334.84128881 1560995.37536523 1646353.88520478 1598616.48197126 1491962.15514601 1532914.6883333 1466545.24772793 1105515.02099832 1101191.32672052 1045845.29120424 1065805.3773025 715017.801790613 703200.676831499 536430.867886884 535489.608889129 892545.650618347 887121.338815864 862707.777026474 884856.135078683 875022.164048697 904040.620817351 841882.437141393 868216.896482285 leucine 676081.308717418 492769.807909613 619891.865168521 497975.155807472 747065.4108873 695226.284537122 563644.212736886 601818.322807875 779980.644154527 545026.053592316 679086.788086195 612752.420770095 818857.686135039 799303.662464886 709634.300400401 785493.06741528 644925.105092585 636135.012193895 766655.425387796 724890.642711189 584831.814495625 604791.849977254 519923.800433937 553771.683015884 563799.046806972 617347.41421437 676486.792235926 699039.771507923 656186.495547457 708988.544330073 550606.527308628 549115.865020723 533679.506078241 623939.346031945 503315.554435661 603369.124729955 592541.83760134 609735.122122869 487844.313985777 479557.32063467 791841.254515166 551512.547377118 836660.672144435 749178.178346184 719771.124769503 625779.531254384 651172.569140801 668191.261350424 698260.557933027 790267.949336686 599217.879062794 615259.251252102 624546.767602508 625225.162580391 613942.721739522 625059.847541827 640183.158099987 616154.010881359 644990.05454934 nan nan nan nan nan nan nan nan 748586.968780686 764893.935476284 760221.637757917 770163.975555906 773262.760493321 770961.551650032 749493.270905001 633120.434414096 621754.674733604 644860.119080104 608730.247998237 365074.874253136 361980.249089844 378784.965677615 357218.83507316 551971.843472076 558367.414411608 543582.39506019 572979.341071922 531381.862220318 544419.484690041 552574.561092137 533361.063037073 hypoxanthine 1448900.79757484 120547.368623217 201530.446330638 555789.991471135 270456.402522544 494814.193738291 441070.210193645 539689.935897933 9625543.78874057 704355.070375515 395804.593570715 335307.860675729 707090.605505222 304651.930820906 439822.722424558 621169.594320404 437894.172371848 420695.838412643 480322.808978221 57258630.5307649 17676580.5495848 783457.870842906 318509.853693448 193527.298878087 352388.392678166 156363.009270978 466284.795081979 258639.814111798 408367.195903342 407609.331839135 506298.89058491 302148.921362112 12909172.8477273 540849.205482536 573547.35068065 863726.338635522 420119.437766427 717009.79233163 356498.580383686 14893951.9278139 586907.211357886 421752.472048581 927925.193415028 363217.349227507 720964.266644016 400191.626460386 754427.385885787 390244.034157015 660554.770213062 335544.852081668 723430.021416999 683230.576363497 681369.705296217 683877.868530511 684755.542683559 718095.280848649 703083.043765381 700858.194095366 714142.746587993 nan nan nan nan nan nan nan nan 24465895.8296056 24354887.3641037 24723386.6174973 24510200.5662873 25218189.377997 24549455.5363353 24813703.9885295 694620.460509793 686058.267327783 706515.424842799 688002.658092064 959033823.988164 4859535.37246519 798062040.036109 5194903.06074716 5258614.92204724 5349963.90381102 5304152.98803685 5289494.93883918 2439481.57857718 2452441.9132594 2446069.55132264 2499387.65099934 spermidine 414475.665321584 314161.261836333 480325.917538401 424577.75032984 369356.784735325 462480.911281839 439882.063369878 482802.613026683 457357.753033655 448417.645508085 621929.805872457 422233.603353855 450461.215977233 421563.996869454 488283.889225951 394153.372231206 502721.979378727 423736.434260811 392730.383570092 493944.478264213 348544.842156423 366896.530801681 387832.517013884 361680.27203698 407069.925879174 443449.797407553 406690.763776512 384814.940217508 385838.072697026 416720.71343771 442464.659697865 397557.826219466 568186.354374554 456294.603700829 460515.408278304 417891.202132674 464524.969158608 483937.040525246 383271.231027407 432616.169932072 468148.753744007 430729.481475763 441450.337913249 465360.086352293 494979.092178685 348821.33807873 421142.578724246 494376.264175611 516203.039627955 462484.984478947 203709.223261888 199186.900479443 195360.792980534 195445.382451525 201835.895197302 193962.361800691 196202.042854459 183489.44084508 194495.971429331 nan nan nan nan nan nan nan nan 39926.4403386843 39814.7861593634 34249.1911731174 32796.8987560509 32300.9053128705 28595.2703145538 30808.8428860848 202206.763073429 197938.62681793 185690.885334458 185594.314262557 65100.7751216614 62706.9110473462 55626.5927450135 53930.2774855241 349075.846622009 333262.097183235 326610.13594351 320278.680876115 311263.559593105 309372.377356147 277997.022555915 280086.557216341 glutamine 135561.872380324 87094.5995643255 110130.757136878 110425.748913578 104944.361916641 119733.985039352 123027.879847106 118434.819718127 122274.0089461 112968.657094904 135536.812788822 113459.669081589 114774.276845341 117140.539945567 108065.295864351 107873.440256987 108543.189974767 91999.8888072141 107936.103466726 111693.850937343 112149.614185386 101222.17290616 119994.467784635 102179.056235828 93066.8046799349 100010.980538667 101942.878245568 109397.797398327 87571.5494658343 107984.767510791 111412.494017797 112744.151031729 127212.981048824 97747.4755976196 121470.582273776 135269.471837421 121427.745911752 118285.94518924 78894.2371792598 108273.909413873 114172.746650532 93732.2354441786 109648.996183393 106958.829855525 114436.143880924 87582.8274557269 94863.3240567264 111405.428674087 79623.7541077757 113019.21382626 112512.981810741 112849.592093339 115732.576322225 115624.493354873 112714.124888428 113726.271155835 114260.967665082 112682.407061978 107677.008787762 nan nan nan nan nan nan nan nan 94569.4941381631 98992.6257812872 88164.9100195519 94402.9451225774 89379.5429771292 88715.6195717232 83023.2546541033 114040.885142181 113027.138227356 112253.043665519 110495.089032802 92765.0669093687 88189.0581039424 79278.7261722593 79129.8403899141 151201.911459098 150252.82127967 143026.506025988 144486.461187429 108950.455158311 111063.446428513 100104.368680642 98737.7434128302 lysine 8418.63484787482 8593.18880529559 8255.54498129992 9018.20277753452 9419.0932745825 9648.50933449786 6409.40124242363 6675.93559102378 8391.80211069528 6754.57508751018 8119.81825232268 8087.67289365683 7216.55914125894 9039.05500963159 9288.61321881071 10298.5003687031 8513.43335694009 8631.38841540381 11100.5536105542 8490.154931118 8748.92304457245 10173.9934473286 9429.47978226722 7508.94682652438 8276.41941981997 8575.15494021917 7755.80110914979 9269.93733452434 6611.460352766 7583.00701900767 6472.43634478362 7817.52809561976 6088.57765010193 9975.47141924897 6518.08660640449 9430.24546463125 6950.07339380166 8166.86127894215 5597.18939055818 7409.31787702356 11156.0408884384 9114.19769024879 11243.8497762759 8296.0227134727 10107.7395573996 11134.0886316984 8835.74152962052 8855.42065426067 8861.12627053449 10677.2999749482 8348.53680820987 8079.07968048408 8615.36133601212 8964.80577010462 8147.11446204658 8342.49989692195 7142.01702136708 8345.24990319369 9189.29014605177 nan nan nan nan nan nan nan nan 6667.93780135504 6770.92837214804 6802.02227537107 6331.51238403448 5025.45126613704 6321.81557118958 7703.67435841536 7923.88380426313 8731.84847470236 8695.56139081179 8969.17513337751 23983.534065253 25895.2055416747 25262.3113477341 23815.4127569811 7732.28382303275 8869.80290770405 8624.40282644778 8461.70403132757 9166.13570049582 8902.10134025874 8078.06703212383 7828.02258329613 methionine 149258.011779886 122981.793208587 168109.051975137 131295.921685207 147169.183724959 153280.500651639 123040.636244322 168184.998415222 188774.448189635 126596.178298787 143555.106631283 122677.061429653 191475.718311506 157683.344758143 155504.95306137 206848.410431451 120798.077602482 139624.084828849 168829.682500708 157524.759329831 140046.358011054 124319.942702036 117189.804598575 144749.012472615 96064.7789164183 155068.515006294 139155.787286922 161359.996512451 135837.593926082 147234.367398961 129299.094732924 130773.116040082 159021.369282331 15699.945198171 116134.85532364 137992.807200185 133861.306344961 122597.030519414 105983.227770019 127313.761223916 151205.235692199 124843.074642698 154593.783217633 151757.234600513 145751.520972426 182690.742447213 147524.665351178 138245.704570661 147419.823049793 154884.649904029 148241.433929178 144691.289025464 145701.993272742 142852.767979551 140456.891478612 139293.477650515 145292.561272171 144122.362028286 148634.107693356 nan nan nan nan nan nan nan nan 147322.451577584 145205.440932383 152641.69022393 147745.554290644 144425.842995924 149850.166603106 163004.411887256 148381.571436948 141082.649337443 138222.938842314 148521.217584864 92794.623402566 89838.2340237008 86560.4338067655 86333.70408708 156684.87776346 158376.517781037 165261.700892963 167943.067963003 141035.667732595 142352.228896307 132046.672594215 129805.849953058 guanine 680709.052901585 335423.186717042 314595.861811368 721279.460214569 433470.442422519 434954.162398375 511193.133984522 548751.863837563 375502.055813705 1169087.2813875 410046.440463135 442927.167621571 363941.176782184 365205.284448535 435763.810009351 283450.766027253 305310.491804484 557088.571743536 508776.973876393 388968.139538653 346712.553934039 1484814.40220231 380758.746358476 304769.038301816 606273.916597679 275900.325433128 300918.241206372 368599.358706282 289542.495184238 286173.054560617 268649.996099321 314087.824964863 620485.846715461 234885.819103672 519491.463146861 400636.805245889 238262.008810987 476989.0659977 273853.498677664 195755.634257544 182680.411697002 572999.682987013 492650.118835857 421931.011977222 403003.379646409 243469.963270676 606005.53906621 352785.177627147 728735.756485816 388865.795611209 352290.775484839 359414.862082855 370571.749658859 363371.826988084 380524.052127115 386227.992413825 411229.028252817 435005.822825872 417118.752361967 nan nan nan nan nan nan nan nan 2322384.9305322 2306005.5734651 2355239.22289114 2350833.83699628 2386223.41493864 2479026.47181809 2430861.89143601 370442.042523763 388908.188489063 385222.10793551 400049.327674687 22977.2665129019 19049.254967246 20506.4606503265 19847.6890789802 767803.577476161 664523.423327922 693484.583763342 670943.62769529 738568.115922428 691902.689121654 730857.485257392 720102.436637416 carnitine 3865838.55719565 1597227.54641756 2395135.28797963 795922.717271452 1500845.21924132 1004893.5861844 1296305.07538872 1313577.70820187 3181336.16574575 663094.049553541 680270.656374994 2157147.41694564 1016432.11586441 1387995.25976749 2691552.88026738 2187472.62445376 982598.777549173 1591029.92112005 1455849.16508192 1773467.20733493 2141495.87602797 1808625.43159923 7523966.068789 16724226.3551931 16326711.7409954 16071478.2957651 4308752.84962932 3306207.01001538 13069273.0058266 2509348.20137372 2099129.76666278 1754710.25946392 387436.351149821 5472697.52209322 1885068.45229173 2500736.04369726 1295164.24691066 1074043.50369587 3054738.10465428 1763794.00104618 1437921.84303189 2396077.53489143 6301132.47363063 2555573.69654762 20136617.6965016 7976064.34633302 8785327.37909462 2533080.93416944 2464692.20402182 1869467.19870146 2405652.91570538 2989542.43235372 3580367.13003338 2604605.48128458 3281437.96915964 935939.440724852 1458899.10352176 1230378.50088958 1334468.25429095 44516.98117 40773.54073 28406.23795 30893.96615 23667.98205 31459.62757 15500.26585 14996.67832 828028.004261301 1029698.98542713 1299686.92033338 1355536.61475963 1606548.41813564 4313834.70166217 4479194.76144483 764859.69425794 4082960.58138926 5370474.20675014 5498072.75701586 8459410.11726479 6271573.39719914 19585257.5658039 12503267.5065196 7509404.06218729 3084763.78664297 3832164.23317133 3660300.32168813 16863670.5406252 14783148.7298006 26112175.2293298 28059105.848985 2-deoxyglucose 4608.46929369874 5606.99339259866 7280.46132575356 3558.33751356694 nan 3593.01168205331 5163.42361531918 5908.36540806592 nan 4695.8589472939 6068.29430423535 4283.60869868491 4412.04470605609 nan 5885.51267982633 5773.73695489114 5073.69677575914 8325.33866585524 7566.64377380559 nan 12667.8227075032 9908.12325554253 8020.61170304096 12872.2756978278 12265.4039999801 7882.26185240885 9542.50784153182 11288.6328402793 15571.9215573859 6637.78669782457 8470.78564133798 8735.2089323192 7156.2394309587 8242.59576288096 6922.01876926205 5453.49728147215 3470.50303371156 4358.20428384818 5279.45365116924 6963.51066654825 10044.3401322042 9846.76889923067 7073.92872785071 7338.07647446441 5532.57955151339 9146.69390725194 8468.87885290821 9872.72950261647 5746.22857551056 5756.1753832224 6086.19407016437 8021.79968658928 nan 7606.40953435665 5890.89038419068 6066.88601307595 5394.38830687514 4767.36798521441 7816.51258005265 5168.753627 4661.769141 4438.419657 3813.382327 nan nan nan nan 5871.76493783754 6119.31495893984 nan 8160.75891774836 7937.06018259702 11060.644226861 12841.547843121 nan nan 3771.61962619582 5462.61927717973 nan nan nan nan 8646.94503983094 7981.28999379849 nan nan 7609.33936319175 7668.86655286858 7907.88385150352 nan phenylalanine 16575.504377519 744095.436766206 13777.5169841227 811776.224651822 1040270.82022999 13338.2727703376 883372.29495117 10025.459431094 1241402.66847324 788719.634788048 18066.0633812337 825360.807788859 14636.2128932303 17452.7651265141 16599.513038324 1135813.87771152 992876.962433386 15717.2567141611 1110358.22068265 1084516.41180618 890379.110897569 18831.6110961374 11747.5994612115 798567.340548823 809173.88247466 880488.108005301 13544.4717486097 1147972.00939555 962502.204708261 1164170.39064174 921207.579720231 906290.830482361 15831.1347361766 768499.906380026 770310.837827975 13205.7429331781 9222.40998936794 17467.2597875674 689164.452762581 769116.319992481 1166908.12269314 836657.548379841 1193350.85508829 1125776.13477398 18470.2714202531 12496.8263333363 1039160.38760449 1101020.83865019 1144963.19362107 1125618.56441042 953398.74136001 963364.678114171 11601.6861336506 14049.8817558172 14540.2878769398 967120.95070549 987908.572997917 19105.5968595395 20614.0605163317 nan nan nan nan nan nan nan nan 984397.952325607 994104.286504236 1007695.76270226 20590.6458162847 985487.698248415 27971.5874470191 1008675.29146021 940578.709685899 1014667.28970491 967878.936956416 978742.845435549 771137.520628219 772063.68648768 845635.701010913 817843.37789281 880757.25009078 907236.534493117 929146.229257338 940836.283178123 788048.703913544 774503.09576256 844850.806243236 876682.911568769 urate 1331887.81409925 1183708.31006827 1504648.34884316 628123.846974546 1016720.9948551 1798359.14801111 923419.484166882 1098036.0488785 482466.508077689 679054.039707242 2308246.19874405 964924.774130058 3422975.29593905 2474553.12386307 1501781.63609597 2421228.19513094 2208809.40178984 2087978.70798518 2067703.43877014 2132181.62093975 858491.29004666 851183.116454494 1390504.71781692 634087.712341201 476599.708439909 1474022.42399383 2705118.31408519 2854435.50079083 1850172.59542823 3784239.66781919 1035046.24471661 1451928.6836581 1648343.89138522 624221.486375609 498413.053773304 1920326.60484048 1903727.76567159 1415910.8417783 1109328.98320724 987818.207173065 4032228.63412213 2320882.55799404 2509488.68457843 2275479.14351611 2544014.81927605 3895007.46433334 3012154.44109561 1933255.17584807 2447324.73526739 1302465.29530951 1595091.99325714 1687395.94190815 1724327.08915181 1740966.31282919 1727714.59385126 1716906.2494304 1751519.2826493 1732126.4199989 1774003.81254745 nan nan nan nan nan nan nan nan 632055.057218433 599555.275781399 600853.275395123 566723.46407948 554515.89083817 544121.266941451 563021.362350881 1699141.07779877 1764031.96330498 1711198.14246422 1722815.91401787 203219.765327874 199570.356450144 171892.644079679 173116.652499801 2479674.96084429 2147607.62382221 1969286.94738209 1913922.96043211 508102.783052406 484432.838332627 463628.286276436 469079.491133115 pyridoxamine 24489.9584071372 37013.0248117221 26643.4015898321 27948.047544984 27058.7591715802 29209.7616979088 24586.3102327875 24006.3457341116 34388.1421053381 27809.7551283506 27406.6979981891 27017.3525531023 21127.9639872392 26115.3258689529 26304.0886000845 25276.0482628237 21696.0183575836 24561.2331466587 30896.8481789176 24744.5104434741 27033.4219725625 32817.1273304935 27713.3772328523 27894.6733957664 32572.2395447175 28844.5582786117 24951.2639282865 22521.4959282623 26224.3173498817 22298.1657173111 26985.3793318821 30737.0876806579 26980.3118966267 29510.2792283241 27805.0661401087 25610.9311694266 25794.5053834967 25742.8123609597 27910.4369700852 25154.7327376894 36598.5174168931 35595.5885857286 35548.422934095 38385.0266946135 30856.7035461416 40761.9574193198 34916.1044518174 32621.8697935556 42391.2192585882 34560.6610928381 27630.6806220548 29396.1851146213 27302.0622320847 26057.3626435835 27643.3802551174 24581.3837813611 27384.748663901 27260.4730760367 29455.4201700257 6600.794873 6491.152917 4932.935348 5292.605247 nan nan nan nan 19053.2226237618 19343.6516214413 18486.2043382309 18801.0510036081 19476.6171794199 20206.494131971 20361.6222443961 28623.97534656 28024.8929574285 26607.1812002473 27820.7209071282 6535.81288892767 5554.90885289788 6165.00307804331 5699.17284009731 34168.7714237426 31670.8317873179 26628.7009468086 26790.3540552538 26832.2861718128 24058.2771302019 25864.0417567992 24119.8133961462 N-acetylleucine 181425.306449293 179288.141474899 156520.212820339 182286.432115998 172835.224797075 196097.709622461 182914.453351511 188786.029436077 197998.374941229 179701.928263473 116792.928316305 183930.196448752 146590.412897826 176538.708931798 182663.377139642 151709.236764476 170261.922868206 146188.054870525 183646.611318759 158446.966033318 218124.118785111 127186.857408763 183084.385852139 197221.137143571 179696.751376725 200567.079150014 182377.794301747 187469.369119716 161053.248588329 164634.301629391 176501.879570927 187009.027628311 171696.680404915 146376.886559253 180245.88502909 180438.165193432 193230.279504479 206748.025069885 156492.519692325 199054.432328838 192285.663130851 157089.194349073 164113.983000263 160647.568598463 165719.721909053 158623.284090541 164698.982362941 177422.877108359 135134.444504457 186135.634023423 154772.230701263 160005.675286608 162596.45719766 167632.335982899 155779.402261944 159051.655770835 153288.848273873 162101.992308121 161921.333081663 nan nan nan nan nan nan nan nan 70843.3472463247 63806.5095260893 62229.9802240917 58901.1533120759 65911.235707805 64116.2362568644 59075.533303561 173802.162106422 166779.291997034 165092.973239999 154183.534311372 31523.8132652315 30840.5257479693 25315.4394534193 26770.3573957714 206919.660284435 185372.63057568 150951.454596219 166896.711432614 160950.945872344 160286.018240571 154093.402201754 148165.550870812 indoleacetate 86928.4807531824 67652.5870063971 63898.9492100833 51688.2355569149 71720.0527121416 107723.372332857 82054.9698556463 64163.2398285434 129858.512064965 77161.8742201645 95985.7578716129 77114.0720940128 95285.3262928305 99416.353042894 75291.6206456455 67610.6991260236 64013.1309497774 85859.3070225588 85356.1632449651 130427.915125102 49412.1350165121 72560.0239009224 49384.3136371309 81550.5625011806 70116.1137933656 86770.4865092983 74828.0866469896 90579.1683585969 59263.2536917667 47507.6109688903 65676.8574263633 54545.2283726178 51046.9952070501 27290.3287946984 37233.528268778 53302.6531288576 41301.9468164181 41663.3127976797 46694.1368061231 76495.9543516535 51964.8275977981 39986.9207697363 129829.318627188 63092.2859411191 83515.9800742464 64741.3654352449 69092.4166654122 40666.5966505858 58698.251091481 74605.071297182 67864.1022604119 77894.7048954456 80193.1226509567 77224.7923223442 81992.884463746 72486.4806485233 75223.1883101169 75411.2304281797 79113.7761041701 nan nan nan nan nan nan nan nan 54350.8034226608 61476.4654549537 52590.7755264162 52214.5990798633 54031.4082732767 52676.2025016833 49375.8369254904 73401.2536313977 73079.842867445 80725.4282907595 75520.957231247 11932.881476839 12045.7057638833 9849.4670208296 10327.2719538554 57326.1245451026 55928.7486974022 58859.6627538988 63280.9245012843 45694.5243076223 46601.2026259938 46896.4433097819 45274.591881901 serotonin 78062.0093608336 75697.7541267418 79402.0675259979 70742.7496159205 76596.0246457807 83100.5609834089 97955.0756016956 60098.9034582271 92389.9733823596 50362.9830764191 64291.148631424 71016.5869949863 101824.330845571 81794.330355646 71618.2100601544 66713.8186413258 75217.5742339501 72440.6390317425 76108.6879247549 83156.7968298846 71153.230498616 87923.786049519 81432.6499056938 70504.8755656135 78963.2810869396 67039.0921865761 80348.9994933012 76784.8579249503 67800.2093018663 77630.7208067827 71108.5468685552 81478.2332386406 88835.9321684771 75768.2287071993 72030.3303334569 68308.1547693225 65029.8849176335 67046.1071438016 57400.4094271072 57750.5139872299 69571.5330468861 72391.9949389334 69949.883207397 74069.1242704451 85811.9501987715 71961.9996803337 69109.9808483214 73409.0833266111 70549.6762875745 79422.4694120456 75111.0380561685 72513.7612521919 74389.0956472321 73993.8974113593 76026.3721496436 75038.3980125867 79613.6744938375 75182.2487373471 75415.9886465202 nan nan nan nan nan nan nan nan 58739.5239694416 60185.3747611803 59915.4128236062 57704.8184284725 60495.9290126522 64529.8295644616 64716.2452878528 72075.2739062609 74094.8920686143 77901.6059485325 75586.4114969739 9093.57645784754 9756.05207797714 10499.5900703975 9057.51632049505 108615.345905382 96440.3817400649 99381.1913513739 97360.3923503341 103892.70129941 106426.388167397 105489.880342502 112549.048784477 hippurate 10703.3173477975 11429.1278257034 14468.0415863363 16918.462277917 16042.3280982433 12574.6394026751 23186.3771411093 14392.8448481381 27170.9277372185 8081.06515486231 19516.9133289652 19325.792674221 16649.1357245995 15772.0615499763 29360.9129743207 27850.5034331689 29662.853974128 21596.6325388881 43986.774005383 51422.558013221 13208.2422470651 19276.0655216155 11143.534703232 13374.0097293781 13901.5525360996 14613.9548233908 22946.559634521 20149.0740563065 15929.5342042592 21263.4819079066 13562.6085952213 5734.64959022169 3840.54583483587 8457.8237576498 10461.7619135538 12823.2799947394 17098.6798857341 14460.1491544444 17442.0416349363 9125.57537198944 13643.3051343584 15656.1478734369 8217.26943422203 35363.8294878929 15763.4084264261 12775.8268057346 19252.3364898407 13780.670694052 19915.9518929037 22101.4948580938 22936.3315106861 16523.5408643586 18022.2904245363 18041.5519078635 16610.0007118455 17691.1723236397 18735.8545419479 20386.3697115557 18267.0009352574 nan nan nan nan nan nan nan nan 14325.381115525 13834.4084172071 14721.1090963753 15075.6097687318 16012.7031865361 16007.7320480605 15293.914714422 15481.8872529704 17439.0692694752 17802.1112603255 18402.9736922125 12917.7342185181 10915.639177304 14972.5558276291 13740.8096007633 19236.6371108004 21653.2893386269 24840.7753043644 26844.1301925924 15418.2419452824 16368.6961867385 19551.623550715 18273.5089685323 glucose 415436.856437346 110342.332404875 97301.9420048337 492779.80800369 123018.93060057 564419.207936165 507728.213887663 486705.772993941 752523.239260722 82419.9334390231 294478.493908534 53862.9650392911 411622.804950935 206810.11319364 459995.916082521 647040.660781805 428231.515433435 460729.048623842 323976.016535176 489197.138581923 126824.16170831 529121.724488652 552545.946437586 553926.821906203 111119.873490889 102577.38949049 484479.62927868 594875.011465779 599832.084067083 79823.4690781915 584648.746780711 720925.711495615 585997.488023826 96378.4176215335 124559.285015167 92415.7571662373 107353.702246562 89147.7396887074 670974.499156635 130616.674311951 678124.138812362 64698.7901135661 62133.9561309836 71701.0662086185 495536.242200616 654091.131800128 445072.191790465 449060.051661754 505839.349430383 266540.684943568 440271.774040275 79795.4732828111 517952.338532306 516441.391761539 93511.8669115776 420960.396491525 480586.364853937 469650.393685259 460251.079101922 7356.207537 6865.066799 4716.168486 6432.297225 20016.30277 22434.13327 7852.309524 9385.343245 111496.364223169 67188.8886786972 92981.4447297643 180958.841140984 96862.9296372754 97686.9348053114 171165.675554031 556096.85809064 425418.107168764 504856.701697109 82685.1188620389 2341.36770390695 2663.80668389969 2295.14113979244 2591.30359726836 135286.798532141 98517.3517104378 96264.8355772024 459876.157110095 133588.936217992 536246.592879509 500923.779000871 450166.260301545 phosphoserine 12205.8887131422 13130.8794603385 10530.1189224858 9717.5627903132 11008.921614163 10918.5877648087 10480.5389598605 7949.69232669789 16460.6489332192 9835.74460192079 12704.6950106835 11182.8797504151 8174.60464072762 12264.0087918957 9438.5757792617 10664.7820345839 9841.75799190247 13468.7733512202 14132.4899595405 8946.16521477472 11444.2732947506 8965.37966315162 8758.32566418861 11053.1390458504 12688.7788458613 12049.0025291835 7458.80119759261 12683.6971616581 nan 10646.0167018306 10412.6658028365 12659.7906447491 10025.0648019487 8335.80403543353 10435.6561370897 10448.0343260147 12444.4929532748 9393.9904625388 13011.9811215017 13056.1570066839 11397.2694726487 13722.510964207 13187.1798629894 12380.5849937211 13725.492262384 13214.546991151 13366.1980373735 13157.653169412 8113.28400766337 15441.1483716546 9214.4122129331 8474.60138038236 10517.2524913766 10730.7934450738 9480.62492830581 9547.92339249672 8775.29772590089 10315.8334886606 11814.2360338505 4757.169395 5286.486739 4279.662757 5089.235063 nan nan nan nan 4667.30684432924 3562.36246458829 5402.51681889891 4362.75020542859 10081.4878243927 5315.34707520588 5044.1149368281 8491.78066533901 10532.8073897053 8039.55271455565 8672.08966593289 nan nan nan nan 9735.80955802253 11961.1328729437 12617.7609213694 11528.6827704541 12288.2736369354 13764.9551245299 11244.8109888465 12165.9481483291 3-indolepropionate 227232.850697156 227432.400891402 235648.135311336 251235.236159678 339351.108972485 343410.360352481 186830.032193576 177903.650894962 282178.549163081 158415.642951846 172962.719077367 134479.243437086 175116.386358568 200165.442550269 145768.550332851 183338.472924129 159505.013992215 164837.508611479 225294.01234153 219027.671581814 227905.694483459 208961.307153956 156267.798406222 192649.314193933 198047.688143208 205948.607114822 160050.620674934 216662.766268016 152372.74358701 207509.002498052 216871.932579346 179045.380295154 180851.437084337 249051.176050746 235595.070709089 251107.14805793 242967.614272929 205823.261038776 223160.200961899 214224.705225949 273156.267479297 211191.730739129 243257.949156592 207072.244029351 215618.338113997 238897.511109765 243797.056971591 274665.653666025 198359.830310882 227500.582579664 205860.811291847 228140.081604501 233173.473481127 221353.388589441 227101.518245516 215556.882416061 209299.79900781 212780.295794872 207573.638453251 nan nan nan nan nan nan nan nan 220068.103484471 212387.638033811 226150.226324391 219055.837449351 228553.052800578 202308.999985427 216680.572039191 223104.549107803 217764.14122299 219996.281640502 218885.170155541 57213.8672676664 59104.431504583 47368.4977513546 48614.4483086587 182924.631085792 187250.438367511 173796.191260179 173068.611139741 185875.32812177 197066.50643326 171781.478232198 163533.262873927 citrate 76031.9490907443 98496.6427504405 77107.5296909898 99447.9187398237 55712.8963944995 70814.2536809881 140452.556393946 143576.781437208 113745.459739815 117173.092731609 227861.730221189 71365.516262123 189520.521167048 155882.237207783 146461.411157197 55274.886506167 152859.336885027 62776.1595356764 144873.972920949 79340.712242459 86045.3477521543 72850.4515859171 110807.513908023 107977.225808133 106377.331691387 96084.6674647373 98859.1001928101 83425.9858093077 76531.6777004035 139335.182598241 145018.444885656 181898.51791456 194918.235936294 142574.080453406 100753.076940454 98560.6729690204 118489.034542615 149687.87494099 113610.476249046 112042.370265626 79601.4684955535 109425.894459554 146567.423033442 130299.848071781 82222.2415201703 111841.648307453 156720.7756568 157523.951479094 120957.875588299 90563.2018950953 100488.781574914 109766.191760849 112162.444681325 115393.221363816 118440.13844956 120180.481264129 125076.607927196 121965.227357355 123451.131043713 nan nan nan nan nan nan nan nan 54434.6416327606 48762.6976858239 56102.6711430064 44852.6777609327 45067.3367864368 45200.0245145155 46607.8022678085 110283.425103402 124468.29107622 121841.872779128 118395.019850173 25705.5313199864 27919.9025973767 21609.2357152548 19758.9692260224 163547.0224439 137876.657179883 124815.673611772 119845.533986919 77623.9004730769 75087.4392665909 67505.0226912626 62637.6223386445 3-hydroxyphenyl-valerate 93165.1183267252 64755.5182385282 57857.8292628615 49423.6467484767 96453.5076373849 85455.4247254445 47258.3354451098 58972.8302313261 86584.7606077871 49750.04528386 64944.6315650528 67015.1720216422 66148.2907008062 69235.7525085284 69914.1307830786 93820.5895707751 57610.8067693507 86936.2890871026 90739.0154032914 80614.8605829304 66831.6611199268 53398.0904446961 61094.0262876661 62937.1167832256 77296.3314226009 67898.5365112803 62995.0518970349 57671.9237563168 60137.3745451086 64304.0861283463 64588.0280918009 47452.4603568525 42776.3529770721 46918.2499872865 62577.5838193906 61999.9459309881 58445.3641372131 40854.2440321826 39085.5821095812 59730.5316351036 79795.8021158816 76892.6245632372 85340.4545397971 70171.2292616692 102744.523730684 82268.246875419 75465.6055770203 90250.9964716588 49811.7800192639 65208.8245678712 59241.3078787663 64434.5003336925 65771.4180966478 60452.2449057642 58895.1422644499 57690.7732238473 52636.3383832544 64852.9606669299 46441.9321501771 101884.9427 102385.5162 25795.08017 36588.63399 107108.6574 102966.9318 33714.15959 35575.74684 62622.5032228092 63316.1990467304 91517.5541275799 64672.2711478523 68060.5859870841 37728.2056943054 52299.3772553875 65051.5898275112 73700.5154459343 62032.8558758027 45882.3464822757 50932.3678818236 49722.005674806 39431.7538202157 31186.3758229971 34394.5886129255 47321.4365607945 27979.5434736994 44012.0689406703 49923.8597664501 64869.6254588061 41174.6701753622 49058.6498556798 spermine 165027.807363448 87542.8430513111 370426.23700949 175409.916831107 135481.542898411 288698.87922589 204059.09606248 251632.110334308 399878.665694264 215418.526430982 427931.484888508 262185.10344826 244634.860772587 328846.871805634 197228.754656015 143758.699939616 346952.943626816 193130.725480107 196281.095373318 282692.833529309 254608.182276106 133887.943079744 278330.089320901 226255.194509866 241501.153372808 278127.428842096 165500.908967281 276832.360181857 183368.840550929 347161.144886226 392306.40925274 324373.875929585 440799.764709792 311412.250848433 305450.799244511 224539.320057314 340861.355377281 345307.139586924 235778.206255889 257793.233923105 258739.409444814 213090.344437786 276764.111238492 373455.185118671 242199.164689202 92042.4268185478 163619.550781575 314747.917416023 207640.905924008 246577.711311468 88383.6535711059 95076.7363819071 89750.5886036181 92660.3311873172 90817.9834683539 89963.0171386289 88010.4304706749 85069.9368843213 89467.5766435315 nan nan nan nan nan nan nan nan 20198.295036473 17528.8038032765 13928.8343941487 13840.1379182985 14723.6838619109 13326.6270065739 13991.2678379613 91656.1276488133 88993.6167630251 88539.9646835903 86124.4237548108 654511.609923714 648640.741504218 347413.771707369 336894.55799567 301845.751147163 299773.307279087 265004.801256343 269501.538903395 248315.838074751 244852.18213476 191602.167541796 195933.716262545 Car(2:0) 36633025.2972894 22514723.3324765 23598712.0701408 24450893.8535057 30847362.7098336 33979627.4823208 32318330.4860776 26864222.1313947 36982743.3165753 34233148.8770455 27908643.9128504 26083840.4442748 27449541.5558425 29544383.9877024 24833135.5603211 24569879.5175358 26129193.0762563 27611341.7056661 25840517.9860304 24246223.1486624 24253919.7688815 32650752.6294726 28984861.8536546 22684730.1755171 31056341.4608458 20910742.5236909 27151011.5168002 27033349.7162269 24016990.6337612 25602364.9575408 28144652.1772076 33157837.2800124 35315327.3738354 21711158.4815155 30232920.6255209 31646830.792557 35243159.9486331 33495735.6283981 29598736.0852369 34948556.4807694 30164148.88008 27300378.4585923 27729758.2499062 31773015.4462648 31007635.089973 24584217.2384496 31368124.0018192 28899155.012824 30048211.2252161 29567827.6921354 25211297.3154177 25907809.6587059 26985038.5592138 26883196.6124147 26261344.3788641 26811854.5598166 25813291.0323705 26236478.1919153 25591518.6007325 nan nan nan nan nan nan nan nan 34403391.9537252 35133157.0370106 35806381.1520264 35411075.5457847 36883550.3247717 37859376.0292034 37963847.720502 26702183.9536445 26114486.8470865 26750512.2339125 26629187.7532943 36325552.9297902 35220105.0291227 45793025.1203512 47319532.2104525 33139650.047523 32867244.9115401 35846333.1245419 36244129.4129344 24181681.7800259 24226348.7684323 25556107.6334879 25410858.1482695 tryptophan 1055899.52730242 887340.687135391 1167737.59390704 970118.263146386 1187261.58777186 1219212.26883845 1089471.32074713 1074031.94244781 1515872.14810071 897941.006377108 1193410.08371707 1126668.89700828 1324503.35033696 1261749.35793377 1146722.31630594 1170425.95136979 1205445.46290089 1018842.86638414 1262686.58872957 1377994.89710208 1048092.80954948 1257117.77091475 1004128.44368393 916159.334714352 941414.664822416 1165895.4088617 1090388.98876636 1274920.4139692 1170777.67874858 1170682.16934803 1032333.35049925 1022974.70129186 927976.691771499 947760.638135899 1010370.84564821 1024387.0114291 1097881.78656288 1066369.77165924 730098.418908237 952698.656019721 1213139.0643495 1059829.73493078 1478303.13260095 1270024.80940512 1241219.49830687 1123287.72420999 1161588.55288156 1360356.23483215 1277153.02217402 1450155.66052817 1128249.81432035 1132992.6488343 1138179.60405853 1166881.82482057 1125351.30190482 1153638.72888908 1144128.81984791 1110232.04872349 1112156.89834866 nan nan nan nan nan nan nan nan 1177886.1284934 1204689.10821928 1188425.44812875 1190975.91424414 1160449.64948917 1194948.39741219 1177911.27391083 1140734.33878556 1147214.17189152 1144156.21126967 1148363.26213874 1060373.34183905 1048583.1376377 1044798.34449318 1031437.7226226 1342562.20033244 1373313.02635199 1369777.89303798 1395621.53312245 1165154.49664183 1176838.92016807 1146964.42334501 1207548.43904772 indole-3-lactate 4585.98848637641 3504.85889587474 4714.96918508283 3445.81907184048 3856.98264110408 7159.45047871944 4923.97552047087 4607.63852722205 6740.31037140788 4431.0293393244 6567.17800049737 3546.61072764945 5732.51858315571 4015.68523296605 6330.32475764341 5950.30971192541 5887.92171124585 6137.68421522037 5874.85850534732 7397.43270967765 6773.97307801828 6301.71000373828 4315.336377933 4524.80270502743 5820.02163896668 5000.97835461502 4687.87833332796 6424.22981292851 4786.5276042802 4402.28570227006 4340.17082618646 5088.92215441481 5350.17067076314 4238.51715924425 4114.61766022586 4202.42590057922 5527.97511023424 4660.48630911684 4187.02822234211 5508.2481897367 5450.16516922283 4127.22617857148 6819.80838760774 5053.36837057147 6495.28869257903 5347.26775298574 6414.04767007813 7233.83540458678 6530.12368191752 6392.12194493064 5465.33959139123 5924.70604662602 5594.05327979789 5101.38524899521 5493.19006699111 4986.62814964499 5514.44835400612 5641.10689178681 5640.84902363488 nan nan nan nan nan nan nan nan 7569.35313706343 7934.34270086587 8614.33929671931 8352.34476236987 7742.72537343771 9222.45356481307 7412.62659945665 5397.21029343753 6202.30540567748 5403.19455734991 13980.9658926468 12125.3315765135 11590.4337284525 14219.9670586981 11364.3182704704 7766.21954308248 7467.04454096405 9434.47437289012 8124.91404671605 4785.67341091118 4902.9697817623 5002.24119850525 5412.55002794973 kynurenine 21210.6503509812 29173.7239554655 11402.8966708487 26908.604972424 8003.55112820429 18505.1070505031 73473.7545321582 20679.0241377714 19159.8007316591 18166.4113433236 33601.4600439197 18104.005627286 44653.2923516279 22528.3327486861 15569.938268081 40299.6011816286 21683.6918145749 40803.9259619733 16161.3287379248 12745.9975585241 7657.68509511698 68916.2634819638 16939.0371969649 11894.9853089501 15103.063237936 14110.0964419539 17404.3249862142 13986.8035887205 11836.0464446663 13192.4740912487 13116.8581854116 12363.6221627418 34944.7627486242 16688.2967664166 19091.1402589339 43713.0775284362 26524.9172620529 16770.2831219246 8678.84087138555 17520.7951342169 119817.876323875 21256.6203687878 39719.6422915143 40315.4610455582 32268.5322913042 20904.3946391423 19870.1599437293 18572.4608364336 17304.8014709397 19936.1456858992 25894.9273476277 23831.5794063221 26379.8880610811 24349.6215948674 23493.1441319332 24629.1302970585 27125.1087496346 25555.8198520355 24767.6724276561 nan nan nan nan nan nan nan nan 24138.1627113051 26127.5567547518 22526.858982702 28325.5551914531 27159.5972287996 25070.5522111408 18882.0588576818 25600.0781100566 24330.117121397 23527.0514280179 23571.7706322577 44288.0954451696 44597.1871912747 48000.8033363453 44253.6626707694 20087.1092360539 21063.7711793506 21236.3531339649 21545.813295189 11422.8588185989 12369.2985589208 11328.5534136617 10615.7444153474 FA(12:0-NH2) 16623.713502299 53581.9967629824 17749.6862175533 31850.9594307932 39438.9170929389 18176.3334409362 107777.680258883 97325.1732707144 59468.4014287403 30269.2552671211 100294.872497524 22952.0365135795 175542.272457254 190571.296320446 68219.7804389588 25821.5631077363 184354.840322365 93064.7277424602 49169.425548795 34742.4429481166 20189.449635298 42130.0202334174 13908.1836984044 27628.6921672592 17589.9011999723 79535.9735737534 58196.6106095824 133051.033965077 22817.3231817928 67885.8715936034 54086.9053587564 21634.5625035315 12046.2982045297 316188.243958275 24200.3249191643 31078.7917559842 51533.2597552923 34269.5812947773 78898.4045990567 41598.2532056702 35885.8713783826 15001.4577128055 14910.8593177798 23480.1426066605 37530.2811228639 100378.478017584 43536.5014541349 25986.9465549152 17018.8733384077 81303.2255864358 69548.7319441856 64542.9763948953 65426.1701569518 70012.0662579531 63575.6626297081 68081.3441247908 71552.6959814194 68362.4853224778 67110.5185246884 8875.620465 8877.926068 5597.973771 7189.20224 6323.402221 6751.964961 4408.454064 5399.363983 36542.1247310781 34061.9553027728 36105.0939961936 39517.3505576664 38252.1923175176 40627.4010297621 41498.1291056293 65972.8140789577 66334.1130027815 65301.7430172534 70661.4796106234 100258.919084036 97076.4743498503 134310.808755445 137951.819469804 35870.4777756517 35397.203848462 41884.0754327723 42803.0622353982 29932.0177033355 28867.9324691514 31990.7584076915 32407.7818172045 Car(3:0) 3467977.04043965 2873026.39040476 3649577.63353648 2852451.17518124 3534997.73819572 5572309.00308418 4215288.63459928 3298308.58404251 3787270.11902927 4353814.81513268 4359838.76562448 3653175.22705288 3734536.90969529 3749071.30989534 2970158.82592614 3680504.25069363 3037765.22335087 3152986.71261375 4362651.1587828 3113971.68641227 3041843.05751872 3595458.91259801 3087764.89947664 2699839.59111379 3216630.30258829 2888108.86042933 3653077.17659358 3672370.40765597 3069898.06015792 3008933.48588742 3100843.71690886 4053252.36295689 6805632.28083191 3474214.20770409 3427573.37434686 3633059.18260525 3969340.04087352 4238115.24181721 3025998.11886756 3478741.59835711 4358630.53620032 2496631.20144319 5249081.32098684 3894481.9395089 5995771.46430529 3396099.21156036 5320063.1576375 3710926.39674902 3893828.63438847 4704686.28400049 3517238.33183442 3654588.97078554 3634280.46929895 3583164.05015372 3537154.92481207 3544110.97298046 3594245.99902766 3599624.67450176 3662854.12772013 nan nan nan nan nan nan nan nan 4564612.38657599 4588033.44357661 4570626.23330673 4522120.75197472 4467809.31361333 4611318.42678704 4643983.04060046 3670199.73678831 3535391.42173326 3571871.9126227 3597420.00670108 1914517.85110634 1908405.21455667 1986252.73850556 1999988.96625318 5619256.20714051 5604300.34164608 5747044.4111454 5815492.83102497 3121556.2647833 3172922.93134681 3152624.6982509 3278457.22729283 N-acetylserotonin 9923.43284846141 6162.94189747202 8553.70643756149 6190.49814610358 10081.4096126733 6879.74285160356 6571.39551159601 8905.19696155888 10899.8429354578 7368.56071953892 7995.66693387142 8549.52558764192 9316.95995013215 9436.39134920866 9513.28663599609 13515.5626535424 5804.41313714031 10492.4946838852 7954.36440128856 9744.75990376721 5576.23741269047 8639.90590146598 7616.6970911783 8461.21498273656 7885.1766369462 5571.33953554477 4383.85435673477 5029.42247561327 5546.81315990355 5003.22434735937 5394.51654766145 5535.6490756385 8436.34416630022 6721.84972582128 6211.34630028152 7140.79669498992 7155.65432344417 7066.30591064576 5946.02979951031 5550.49305503939 7312.53682974567 7954.9933670444 6078.22731886626 6384.81180973468 8792.89373052925 6244.56386547853 7981.4070080233 6183.20234700853 6011.10236311429 6592.57970746821 6312.7815049905 6587.55381269712 7181.18751708405 7591.3611011309 7509.70932878009 7787.26893645602 5928.86445734656 6270.13812308114 5437.72216790328 nan nan nan nan nan nan nan nan 7848.83986857701 6255.88423150004 4483.41581121547 7159.64888355074 7797.45203971391 7500.44127168277 6254.33498030134 7599.2939356036 5125.03800268676 8998.85765320767 6219.26616943711 2079.75771292961 3195.15087010987 2884.8216725796 3194.51739592305 6447.82712272156 5558.94466746193 5005.81922261443 4588.36248256502 6097.36201325287 5869.24559763221 4588.60150116894 3970.92114959965 Ser-Leu 8428.96255400379 9726.29832395106 3427.60052760052 2858.81751538548 6248.91537178589 4025.82022218563 2939.97451109691 3529.52166488823 4367.591252366 2931.98681315494 7163.80578461086 4324.37033266161 3912.42732420606 3750.3411866192 2899.30047124192 8301.6871561919 3142.04149323126 3770.39873123151 11157.3779759232 5223.51508175452 12021.9413273209 4881.35421199817 2597.80440518943 10354.553149581 3873.61024468382 8841.03075719177 3460.82813233732 7979.92823821238 6974.40882949038 7622.59292041265 8958.37838214921 6564.51918431387 3861.62516779444 4057.93048628732 7744.236982091 7990.16663973618 9411.08325637658 8047.91831877825 5609.77658780278 6691.43444768229 8943.28939296441 6258.26721819656 4633.72426096987 6122.87294819751 8871.42968765021 6982.05136608351 7324.26993500481 8794.91055066026 6436.88347409505 9842.08801846379 6375.73333622291 6102.67378984355 4114.83306914377 5854.62234339138 5941.49842888291 7355.05383279247 5417.58997866933 6096.00662195903 6246.85897079437 nan nan nan nan nan nan nan nan 10701.4491721373 53790.6174847867 7484.89696009989 8843.66317341901 42183.2439166389 9792.19369776924 51886.7582989642 2384.8270502759 6235.75009164715 8238.58424769167 5531.71824848151 24823.1173337829 27423.3648588643 26084.1786923444 23118.7755086086 10052.3184164146 7607.66914916167 8206.00998099776 7641.08224181048 4391.64382097049 4871.27004183979 7154.37205143449 4803.11937435891 pantothenate 402864.528029462 326839.269153878 421234.552404652 390811.393501626 396409.203675708 505964.151684536 438945.531217564 411980.841777806 566729.797653254 409198.682490786 303731.121686724 250602.162645714 337787.209175562 294057.920336609 341748.069004099 243267.341163592 293257.440004338 232513.771967652 258407.468986527 317412.644607872 370198.5254868 492219.050939722 436213.179737367 351272.117592232 405267.013347801 256566.143356536 246598.20654603 286545.638469702 257596.594366189 290248.27013309 448097.632018699 414868.458948661 425420.962330221 354675.546478557 410547.944438039 480636.0647789 488837.60884946 404608.861432141 340394.903839704 449436.390345071 283547.323336052 201462.47061225 234339.051753898 322984.577156661 270359.649765533 231859.711275524 250530.341444735 253359.417990496 271510.925385321 287708.647761274 382481.731140445 375967.23296499 371080.96573906 379198.830234666 360462.207872601 372013.741596013 376406.510588064 382322.140940614 380170.90953687 nan nan nan nan nan nan nan nan 490743.529685689 502144.469751716 511476.994701275 518180.122504199 516563.979672449 538503.782085842 530999.100885123 357121.043493028 364474.30611371 379066.952894966 377386.783908647 2064349.90230014 2052769.07929036 2274401.16493537 2292718.91054672 405583.785924905 413237.456519613 430307.657871621 426282.153475858 374954.462104364 372546.863089103 395847.047255206 405890.578602018 diethylphthalate 18165.8241699878 9793.10062273744 8836.6806802349 12150.6685002151 9954.54138576115 15695.8361498765 10447.812950756 8232.56217330291 12414.6744101381 16072.7546548322 10078.9008102559 8711.22875368226 11814.6489297817 13136.919523477 12647.0283024783 13656.4459914445 13183.4982837184 13539.5431949943 9683.28618716709 12582.1819302649 10201.666909319 11451.7869202766 11386.1842275823 14484.7766386479 12381.5142881545 11671.8805840834 9780.21983819272 10822.5652891239 9873.42856882853 6953.36941217792 6571.12039085627 9010.86676456341 7825.30009314338 21996.632311926 10042.823753207 8882.6211531236 10220.037499818 11166.2576115659 12810.21489623 11446.955395431 10889.8747507502 16823.0497087376 11848.7830914746 10006.5155007029 31104.6831492743 11690.6018963041 10327.0921491498 9691.24789757782 14186.736081002 8471.4395226306 47511.4069169297 39359.3948143945 44953.9217641 42966.6240631058 44359.4984323031 45135.8519162793 50319.684679677 44737.0214592698 46066.2966871836 25429.42064 29377.5487 18676.97569 16447.97673 23428.05523 30573.53376 15048.93371 13261.60975 72783.9611304792 58615.5208235777 76820.1446309739 63825.596490541 68549.5290836819 69249.5472533102 66515.8336240065 45985.2069855327 47087.9202801155 45109.2894846717 53238.9903420976 27799.1454729681 28224.7809247654 21307.579131036 23946.8865795262 14941.3895096188 17009.9140948506 19881.4637090104 19698.6948333396 19207.0074620686 16504.9313112092 19117.2647697058 24037.2055902855 Ile-Pro 407155.522462708 302877.633401537 334870.761567774 383754.47247814 401851.338086707 381886.273518483 388876.238678885 366820.898731606 20127083.7010275 403512.068715776 415574.122392069 377548.011738704 391032.827068929 352022.821319613 366339.193079154 350658.287898903 354780.020447854 325187.623873376 337079.738232947 35223680.903939 14979166.6356499 443203.866831821 420724.847774855 349090.942560063 338877.666259909 333588.277402025 352904.406630194 405135.502494757 308290.445005066 345167.373773017 392469.229081262 377651.323552431 19272025.6831531 342630.200892317 385027.480332413 390270.144756622 381753.736139714 433966.431135935 334080.75615767 17116100.2436395 396053.128176227 357872.576611007 625226.884399416 391842.354993483 429082.305995287 325812.350549326 347100.931662698 420132.272866138 394665.67148232 377789.240322936 2313814.63764307 2197407.29003211 2182106.25660922 2181612.70322014 2192330.69486343 2239160.86385371 2174418.10953858 2160019.45894638 2263694.51043239 nan nan nan nan nan nan nan nan 4094803.02926477 4079860.28672812 4110490.4361398 4067218.91085015 4208220.05429308 4049976.22625704 4116272.250775 2246600.43150975 2213965.0307154 2167279.51033287 2238136.87433655 16605265280.0701 83709771.6472633 13088344660.8805 85106722.7068176 934223.709136395 919991.760418924 912115.384569048 909074.899923645 441474.726393773 459780.616164582 459861.179325581 466102.930850538 Leu-Pro 216256.841553254 169506.543749975 170712.352081795 178397.870351522 196372.603282663 202385.120149859 229746.438681627 183359.356700823 242963.531407552 191114.863450929 221684.701390522 200297.8160725 200328.657332829 187995.576802604 199994.410685014 187333.990872377 192250.659256918 182463.995102383 181672.683739759 196605.822376186 215255.774358427 238034.601054395 222548.330203789 183912.576048906 185536.623583979 169609.8738109 194804.666386309 222943.04819676 172256.121838248 178688.174187949 196130.626225765 188791.928506503 188885.408710513 175700.916950293 205507.270466666 208654.838769962 205943.912335173 211595.423888742 168131.736227305 194591.456525345 204484.032104711 169338.441384693 300034.839397788 203150.887083643 218807.346937882 171453.525818735 171634.397644067 206832.110095763 201785.675054938 202546.405526882 1167323.86970279 1141434.81295053 1133875.1891344 1156712.39924518 1162027.87374219 1214587.04975425 1189890.43977788 1144033.58752765 1170541.27974602 nan nan nan nan nan nan nan nan 2100131.71029883 2168535.38898312 2195030.38032914 2167861.16852948 2301754.3241653 2293985.95231307 2199240.51827336 1159275.15109212 1153856.67161496 1213453.28940958 1149096.81690265 49891228.9594664 50425573.409014 51982513.6569341 50649088.2220701 528772.964193393 516609.582828372 541369.95365845 526331.786125909 251696.40418594 240861.588943476 254176.333241402 269525.230535396 Ile-Val 13903.7645091504 9657.38715291683 7506.41905654364 7361.91579916877 11594.8553723122 9727.87251825067 9098.18348229245 8379.48687781965 14544.9187407237 7531.01306359414 9752.62098429133 9229.89084050645 11370.3092183413 10743.8075819165 9868.9595004451 14684.5165630015 10024.5244958405 12081.0707394021 12200.1142736004 9658.16886406203 11643.6980311953 7402.08442461907 10711.3076587007 12266.9998563564 8108.68186533622 8656.61286841301 7761.09880822879 13291.8408312584 7476.10718898063 9180.58700127661 9008.58233538667 8770.38874415272 7710.93427842609 12970.4633030778 8162.14720558396 9412.03945885747 10743.578687235 8673.41076988951 6858.95555780175 9299.66008883804 10117.6576160331 7142.89281054889 8892.7259524013 8903.1346789031 10772.9447787533 9177.28589877063 7715.43828906854 11159.6269421285 7438.87809651168 11109.6222195057 11729.5296106334 10654.2870106871 9745.46369499192 9672.77184290201 10599.9701796083 10858.3046772187 10170.6274777139 11355.2844661776 9689.2612463143 nan nan nan nan nan nan nan nan 10747.5592812799 10492.1092619961 12116.3304289727 12627.3244172804 11174.1563739984 9783.82334185461 12053.436767395 9011.0895084832 10126.798262061 10056.2968568039 21541.8963963331 31005.3198083463 30938.185036488 38933.1101238444 36764.6732311543 10604.9459305499 11883.2787118596 10658.5259822989 11538.2664598467 7978.12926573577 7527.0169939399 7963.33170667931 9442.16151287869 Car(3:0, 2-CH3) 733440.635325436 687800.51818065 1109173.6479777 950091.9526754 945188.871394859 1123908.89044433 937879.604567536 1023152.73103855 1147238.21561715 1205180.34528641 1691366.43965778 1051285.58689891 1350965.97862111 1228794.23107939 1390024.88966441 1309657.9017799 1001345.88844991 1151963.22438585 1549937.43942007 1230355.38569349 941608.343054189 1136323.82953163 1014337.21172867 848687.376153972 696861.594516005 936559.207707279 1119859.55512491 1646676.73563864 1115992.57714691 1243291.57039523 975212.781359911 883819.802792353 1382053.38079127 933631.100757267 1236607.95942639 1169620.50728556 1016917.9843729 1079920.30524357 728198.776477166 977594.762247058 1262527.26534962 716440.573834466 1386280.99932645 1531922.18914675 1199020.66193196 1116673.82084139 1118123.48166338 1166186.90062177 1438566.24349053 1346848.51347444 1194406.4118969 1044594.27397556 1080447.86733706 1166537.35074143 1157576.40886132 1227011.68568908 1139999.49546018 1102274.01668443 1160096.43695524 nan nan nan nan nan nan nan nan 2364354.61705761 2213484.24977929 2258497.42026719 2234824.51167485 2103490.31273074 2240030.47582462 2206006.73228455 1197757.86011659 1144338.83648101 1102615.46198301 1166914.13269849 1305445.1741585 1279121.70375817 1319461.76153587 1330189.77724747 6594783.79050086 6585176.77951175 6429443.52568507 6615301.45593063 1708569.02820388 1707451.19726443 1707926.35621036 1742776.86058647 Car(4:0) 6454941.42558142 4935617.2871749 5443732.85930993 5266994.7437556 5482091.10128007 5467901.15618056 6568265.38808609 6426491.32368601 7276700.37327403 6352446.88010201 6399504.00891704 6056148.93520721 6010014.15951262 5665613.58653339 5657134.6466683 6361510.75952893 5527162.44859048 5919402.57977234 5625490.86730139 5508715.48912277 5924690.71706057 7132918.10672173 5921786.83233701 5970870.62807124 6204770.49727139 5058306.36325204 4945266.84669234 6345707.0907826 5167581.11242195 5344015.37337502 6286806.65361293 6361711.04563458 8224517.84660907 7511556.23190921 6836267.38251378 6791296.59637333 7436958.50469894 7247530.03106722 5216931.39365898 6980002.56455013 5071233.81983609 4320888.33213827 4374093.79044179 5740864.72321753 6016818.46975581 4155089.88864968 5097125.02381095 5180636.38616945 4542470.89055275 4858787.04544331 5849640.41994227 5793515.61015685 5839904.43122423 5836922.91575857 5777664.49004383 5904661.76549698 5950910.86114669 6022317.78213908 6067276.82996146 nan nan nan nan nan nan nan nan 5950065.93883765 5974209.77554957 5914260.64923613 5933687.09458704 6003883.74428189 6197151.77300513 6212519.80187443 5821353.08871089 5698043.42829411 5886991.47198768 5975569.86257596 4229152.46906784 4212154.10418204 4384123.2434921 4424187.20787773 5872580.28493596 5956967.89190834 6070517.61028383 6102594.64111673 5403061.09549215 5369863.65021502 5537889.75234344 5817393.03058027 cytidine 42650.9227788346 27962.4020072169 30435.657370814 29168.0094081627 32789.9826915546 41254.4330534405 28378.9101874651 35480.4089028054 45726.2414247961 32225.6825615098 41266.2928821788 28102.7333150128 40066.3775616418 45142.0270605132 34939.7999072578 40024.9641481167 28079.6562077338 30178.7782371703 46348.674814656 30850.9221692393 24447.5154894438 24589.1808774478 31185.8418637361 27800.416752052 30846.9262994373 32967.6398761972 36827.9866139787 32683.2726557572 36125.44771501 39954.3539442747 35186.1454687456 35627.6341593819 33480.3326894069 33833.8519207994 30079.4240222627 34061.8068080254 31568.9447131851 36863.2569676174 25964.376698175 29232.3121355025 58990.0029653686 30707.8921121153 56725.2826809916 42810.5617688276 50060.2065001908 48462.427762175 43158.249333186 41718.2777267385 44921.4918321723 39949.0212954219 32727.6405023442 35031.1400303626 27534.6714390307 30658.019569954 34682.8597300373 32251.2649246853 31160.5640823869 30154.3943698278 33829.6041855402 nan nan nan nan nan nan nan nan 65788.4494207904 59192.8490434237 63327.5245336104 54303.0823032585 64575.3124366035 61842.8936370592 63301.1900484517 28585.2007806866 32212.0658402616 31001.1043089063 31747.7643909459 10205.6920548983 8928.49898534066 8559.73798505992 9856.6816243201 28796.3083205833 27690.89806517 24606.8150054226 25875.7739822899 27563.0598500336 22949.2510435282 24704.9073877174 25005.1492642829 Car(5:1) 69325.7703358364 46022.6866861731 68064.377294604 55709.4997479965 79742.6503466516 71400.5476424761 55033.5125862918 71831.2909926776 4030564.04121162 99289.6469004259 69227.4855597148 55096.7446204843 81393.4613592818 72204.4316380038 63502.1976228184 74259.1535263674 60317.5402872927 81461.8846764864 71756.8437964986 5863176.88179831 2675770.63072732 68833.8813150708 45950.0220880341 61513.7872142377 59572.5196091491 47787.8822302446 62221.5502354835 56087.9471359194 46318.0974344537 65823.4605947095 65021.1227000398 54497.3333849494 3651405.08976496 66540.9892105596 84441.6199172232 68662.6444032929 64685.0249528912 78202.225987834 65899.9633132283 2775254.79324136 54882.9023124023 36395.9298100562 46646.3615472355 56647.651848346 62485.9563346733 47425.0270729182 66848.1118979015 56172.6320214066 48065.3540805263 53192.059638297 68762.0859046523 69047.7759986496 67362.7510898693 67030.9977886536 66756.426435598 67210.8134048115 65253.7478560619 64656.9836825358 69171.1104462099 nan nan nan nan nan nan nan nan 64585.8133340717 62864.2091107349 61600.614923541 64335.1975396124 63423.9392845108 62216.446146216 61247.5508698281 66146.0258121007 63802.737321715 69242.2974687983 67076.0496369882 51735782.4527984 257686.016238225 38095977.8589112 239449.615152204 87760.3248413358 87373.1671086607 86518.4762007186 81822.2779658701 75877.4846780414 78947.1913539524 72641.5695416636 72327.4226543194 N-undecanoylglycine 67119.1199073288 85525.4450359302 54344.3505666369 71434.8639346799 77136.5894599949 74177.0647640179 134439.946302905 126452.661129301 493278.739860854 130628.52269255 119915.827547379 133955.204351949 281835.739928079 176357.88943079 388885.284491497 72372.8570162422 314494.061625138 300197.319310012 121579.729373034 127129.821850493 100207.046557009 86626.083467433 52903.175158731 84060.0806269471 52952.5909081224 419749.806863798 83109.8631456103 801936.56751834 127156.199291064 128676.839758301 153452.217620518 115658.794766252 73308.6565623115 609362.844800446 57085.0139099908 439585.268248736 124354.630023196 104332.089775728 832522.95294356 103285.566060009 241348.766672012 57903.0657490478 51894.9178153414 108115.94507457 268651.050158221 187690.99189434 326253.864238299 139290.76479805 65483.9906507356 359075.602380813 400945.695724869 321149.731808392 385362.180802185 409162.136481578 411502.806377478 405908.356343974 393422.267952314 383816.180050018 331399.174431435 166056.5921 154596.5365 16457.812 35281.43879 146592.073 147527.7281 43889.74145 50057.56124 434894.043560196 542791.67511153 565965.940638352 567708.882150437 549639.04954198 526536.723374429 556102.382267483 352300.821306993 413842.445735217 401322.024481656 391759.430911917 147030.802153852 165115.0062474 193165.114406954 193217.096735054 76920.4981932025 148034.717573023 296316.913047609 326703.432286116 83802.220878929 103337.258911577 126569.793165683 137337.757702933 Leu-Ile 112519.279833313 88058.3540611629 50033.725322914 45643.8441686082 85347.649326611 62804.6401769668 60318.5221715046 65539.3195189462 106656.684499362 51481.4958586993 60522.710631368 101084.65038004 58362.2472923806 114653.364497517 55603.4068673592 114185.018334868 68894.3423449625 111685.567666332 135164.42833743 89078.9145062413 119658.607666568 61346.4629544414 83201.6497312209 84117.8030210116 69298.5818688379 82836.8307803844 65617.8031503364 147995.987390885 89770.4777755882 104774.187612682 73182.8134818479 43498.5299872815 34950.4401481109 61594.4381128108 66660.4285089553 85651.341530396 68109.0274948445 74545.2934293279 57939.7171076268 73662.8305873375 65083.343336925 60895.1449450785 85597.5146311126 81141.4883911289 107486.26323729 57513.2213332744 69328.0145382637 106715.056712043 58883.5047797528 110077.639994995 75032.3413923122 69211.135119718 69391.8460824629 72819.9142863592 67189.8974778363 69468.1148598099 73607.9874902892 74611.2193663402 74238.47344134 nan nan nan nan nan nan nan nan 92660.6427143149 90966.6632718821 98840.1081432418 99925.6157388012 98122.0635104457 102133.111018925 105316.339309878 67908.7559305408 70129.9244328008 72437.6384929009 68731.6358724472 15969.6157455559 16827.9030529613 23918.4500211079 22212.1622727928 65484.6302097442 71060.8914509836 69827.9884101392 73518.9625649321 57066.5015414032 59913.7539270881 70071.6099671238 66900.8096639031 Car(4:0,3-CH3) 2332760.59687084 1439972.13646715 2375798.96507617 2076521.93251056 2464274.71329383 2620022.36245405 1857623.73128326 2344832.08957904 2754546.06735942 3188113.79223242 2614624.6143936 1864053.07081889 2040464.10016823 2423993.28259653 2122167.97991776 2440608.44208144 2011188.58883666 2498744.66721559 2398971.86190221 1951373.33198071 2159566.84963805 2463343.70121311 1886005.65467938 1941100.02592887 1778258.74869621 1556854.29465285 1841715.27128861 2031573.87231501 1759436.19861221 1976223.09720333 2023838.11345548 1845552.81811774 3066674.89373233 2685358.06365853 2904531.13922062 2392643.04176102 2409424.95021296 2663953.60070927 1698489.86647922 2202490.36805554 1761734.78161159 1247488.63472178 1933080.93055887 2045588.02246845 2087839.54237267 1776253.31373518 1885801.07657593 2150284.54196128 2013627.42254744 2234859.20535429 2263892.40354462 2241425.3617142 2229108.10949544 2310559.17490106 2297463.85188331 2308739.83376754 2266466.06391596 2351350.67630611 2373448.16335333 nan nan nan nan nan nan nan nan 4024962.77843605 3853995.38646132 3885293.2293808 3890673.1484323 3671121.9160127 3881185.72914038 3863451.73402966 2236840.33946104 2268394.25404926 2283196.18105635 2332916.93827185 1394633.73462025 1378110.96287349 1425693.20851885 1433976.26194956 6858902.83009854 6742620.10184023 7089476.64796629 7280971.03449509 2994789.89797188 3007161.17528507 3154720.0743064 3122530.47384713 Car(5:0) 1133246.19782331 875048.484482007 1485282.45139045 1368755.74163998 1530349.38812144 1697927.50356657 912940.60928549 1190177.9452307 1390930.07870695 1832817.11526112 1560295.591084 908464.722134022 1201731.62041555 1185008.31222737 1344165.29586323 1206057.98678831 1215418.67093329 1554211.12342768 1428394.79613585 1123282.04539589 1277503.34872188 1454427.59090542 959772.376657162 1090784.6399722 946880.111377666 860130.737602502 1077271.15044301 1319180.83138517 1149995.12661739 1067626.52425018 934776.543352056 954774.31162689 1817871.39210273 1263698.10347139 1617405.698287 1322012.06563815 1317807.92399862 1265683.40428653 993203.226447728 1138809.39383475 1046597.44826738 673749.08031649 1160109.52563087 1201264.75407201 1139639.56478237 1286697.96125182 1037421.75465422 1395693.15141185 1302805.87043531 1286632.89044241 1252860.57707887 1288227.15613678 1319250.20152643 1334551.01356522 1326765.56339239 1297796.40151965 1295855.32803005 1248020.82761224 1277408.02545475 nan nan nan nan nan nan nan nan 2146513.41250322 2395621.92588507 2365729.7107479 2437943.49566289 2381238.32116239 2442400.4815069 2372315.91904229 1315057.17690472 1315371.81696109 1318376.95347318 1306356.88088373 2228394.94898078 2162204.00709791 2161552.86997198 2123472.82011199 3972131.17638423 4012453.89404432 3878121.10076824 3813640.52190143 1666431.23226133 1661286.09066674 1620541.04203127 1598426.87766933 Car(5:0) isomers 1133246.19782331 878183.106163388 1485282.45139045 1371100.19743702 1530349.38812144 1697927.50356657 912940.60928549 1190177.9452307 1390930.07870695 1832817.11526112 1560295.591084 908464.722134022 1204171.1746738 1185008.31222737 1344165.29586323 1206057.98678831 1215418.67093329 1555568.20674285 1495531.28731464 1176418.72871747 1277503.34872188 1454427.59090542 963839.775259575 1090784.6399722 950297.179280273 860130.737602502 1077271.15044301 1382588.92168115 1149995.12661739 1067626.52425018 934776.543352056 960414.998494687 1817871.39210273 1338141.32956276 1617405.698287 1322012.06563815 1317807.92399862 1265683.40428653 995022.810122018 1138809.39383475 1046597.44826738 673749.08031649 1160109.52563087 1201264.75407201 1145788.15467624 1289369.8601237 1041958.86436933 1395693.15141185 1302805.87043531 1286632.89044241 1252860.57707887 1288227.15613678 1319250.20152643 1334551.01356522 1326765.56339239 1368698.42235036 1298453.52330615 1308667.35048218 1288446.89107903 nan nan nan nan nan nan nan nan 2403511.09543023 2529173.82982691 2504370.9687565 2437943.49566289 2504341.17733244 2442400.4815069 2490959.15774663 1315057.17690472 1318369.43816165 1319864.66164813 1308473.05531179 2140841.70324871 2162204.00709791 2145983.36823289 2107586.13889207 3947500.69822407 4012453.89404432 3854730.15944032 3790568.96943133 1666431.23226133 1661286.09066674 1620541.04203127 1598426.87766933 Car(4:0-OH) 1997230.65332927 898632.165095041 720591.320049979 723385.749155776 625989.452898337 480223.367875582 1843419.32310512 1294751.61428022 1131061.32149694 873562.400083272 1511288.29566739 1402863.95823605 1989305.48901196 2533478.04767661 1417282.32944981 592035.249759318 518210.890230068 539830.120451453 1406394.80831108 760360.768648661 741107.207755118 691268.361871476 1833133.19269257 944928.442104082 957911.631962732 720049.618040213 1105872.05719395 604215.818713558 875805.345524709 857859.209065883 1356009.00401777 1525663.12777042 931524.050850392 1289243.36597256 997284.04528827 1675041.03720187 890685.17969436 1720967.62377574 803209.848623391 1226300.93229924 1633022.60542292 1407816.39778148 2139054.88701341 1762299.06784633 1630693.12597153 1205642.98185248 1284133.0227538 2125276.68370602 1445051.50036095 1528408.05526744 1154724.21001431 1184981.16673386 1197950.26264896 1191430.54068174 1159884.14266707 1163081.2656077 1111620.90106213 1169076.0750026 1188379.06561545 nan nan nan nan nan nan nan nan 3146617.00766154 3067738.18070846 3162052.99664047 3089991.32967313 3248786.49687424 3309807.58337578 3336544.76338793 1204997.19770272 1151426.20197078 1154668.87192926 1161178.38358771 1275863.01171422 1214624.40466136 1738646.59895001 1748263.06469143 1726882.60678686 1707693.0599299 1846281.58500575 1845533.74704228 1156572.92525489 1137090.53825474 1206452.30538002 1210940.66487187 FA(16:1) 35182.0947773207 30873.8759870003 32742.4497359706 35509.1597375763 37231.5010726617 41509.4405256811 27291.0605380159 32159.5247460466 33820.4420270786 29744.5113495779 43229.4926450903 36025.6130715451 43464.0391420173 40798.0156688992 38333.2932422711 37336.5617269123 40364.048082928 33630.3019816355 36008.3782562644 36605.9370330363 57143.3459881827 39501.7529201107 28676.6149593718 41701.6132773512 24677.9355988824 37166.108267004 35405.4332801126 43421.3255035276 29803.065398424 42587.1118496636 37490.3509601683 31197.1858415666 36789.7086107801 40507.8770625245 32826.9100944119 31505.4351434275 34030.3140600846 29160.6434837179 30640.0492280638 29016.1336567981 35449.3830669538 28956.5862781879 37664.9551050418 36867.0269199774 31663.6820118321 39078.3071010587 34610.5160859753 32191.8522122347 32837.4289003079 32647.9461061043 44229.5661509441 43288.4772949741 43414.1533639082 47269.1690467853 47480.9367243909 43183.1754221488 46238.3625040701 47450.4283876736 54384.2336442402 11936.26988 14277.24705 11701.40862 10552.65653 16343.87102 21056.09784 8779.586607 9092.348727 145178.674998305 131633.653049596 128768.354597099 129324.412207948 123591.33680521 120361.590165634 120328.467111031 45682.7149516897 43212.6356467968 45399.7642321535 43514.9446098184 20904.7233750157 20869.7620319722 18912.0296846809 17931.1722598226 47432.6003819419 42449.3980572718 42142.7126631995 41570.8485576297 45581.1359742695 44056.8608089051 42831.6083765381 44551.0318797331 sn-glycero-3-phosphocholine 3003475.4429269 917596.642856024 3241104.79099026 992975.75236413 3266109.91819664 3213566.96132772 3406644.17947938 2812164.9349845 4060229.02571583 3018099.76963168 4024672.96304483 4459352.82789564 4041573.85331992 4022939.85604859 3341653.52462937 3729471.68692335 3260084.69906839 3715904.65379708 2945234.04185273 3161130.98147641 3399320.53146646 3134997.01245529 4210544.26510875 3044399.33687437 3114099.78232832 3578184.39184334 3538707.15822503 4345734.15307191 3221237.43408766 1396389.90400565 960640.669371399 3733388.70248525 3782817.47318583 2943730.65739097 3578053.53257212 3971301.62658737 2919633.39226425 3426103.42306245 2818451.29198861 829942.330160479 3574565.45765553 2520967.27305162 3068629.28742776 1005138.5139192 5087495.79736164 3688759.66251846 868324.113229163 759625.634026295 3576250.61727305 3895363.61513183 674734.845441682 3028597.11934974 2671713.99810521 725645.050899753 2391469.85182195 2704850.83802408 2598608.26335485 2566428.72915789 3089400.61046576 13055.24037 10217.40217 10436.98878 11574.8386 14555.34898 18183.07995 5534.664505 6263.363108 1983145.85735036 2295516.89888804 590099.33357182 1836570.07562996 295060.415208931 1806974.10058113 1762681.22524638 3124012.97649446 2527829.92133884 3002064.03517619 2841542.0168993 323556.439423715 298988.232642103 336188.276860121 336480.247030396 2931063.32125223 3453866.35431333 3451261.15942577 3440986.89466571 3656058.27886996 3382197.05768056 4191433.70924107 4372225.78816162 Car(6:0) 2530630.76118444 2022252.36499224 1824296.89982363 1894462.22654126 1996394.28994932 2350314.04329827 2884716.88654596 2704941.28758284 3123756.39677051 2809142.15297283 1960717.96026664 2047424.44225393 1866216.15444548 2399354.36544165 2039275.82554149 1599207.26063084 1552174.2220629 1787967.28478493 2130461.72007347 1489293.66201043 2508669.08479926 1952855.49964682 3035832.89424979 2434312.79697893 2629722.14051663 1767369.96420486 1650806.76489882 1860936.47959994 1819786.84190818 1698029.5486816 2991479.12839071 3651499.10853111 3318818.68386412 2567737.28875649 3362752.60204403 3355096.52591186 3609348.57572515 3526723.48445829 1867063.59026605 3498702.45590343 1781311.76640445 1725416.01738634 2119204.77118848 1930342.74870451 2050274.38790385 1371188.89470035 2002563.49445374 2307516.87374293 1829927.47789766 2085273.64225886 2243936.38623745 2346457.76557314 2314723.81174456 2299074.68203576 2351024.43678436 2303278.81098399 2337590.17112441 2332100.26410438 2350720.74139308 nan nan nan nan nan nan nan nan 1532209.05928891 1548756.58542257 1545088.14532009 1576724.49908601 1528593.01185764 1582216.64046768 1650192.54719156 2306327.36795178 2303418.526398 2329834.25834019 2377833.4655354 613088.631245261 603461.941176116 632966.383045508 597943.858964728 3296767.27457051 3266785.58862662 3409159.58204044 3387332.29078886 1770741.86286249 1875316.75998082 1912155.56340598 1861256.78240689 gamma-glutamylisoleucine 28098.7307764671 23132.251931185 24908.2207461763 21282.7024848868 28413.2285295657 22785.5469527151 28284.8143945754 28788.954157506 36918.8520202092 23791.4155541605 32846.6481900231 24264.0202591629 30943.2533603781 30921.9212278688 28739.7457601182 27085.4925037869 23049.8494000649 24332.6435962039 28799.9376761164 28787.7313966302 22003.6507722992 25239.5505925501 28080.9213232647 24428.917575956 24773.2577959999 24063.3268702405 25268.253553464 29673.1007917115 23934.3655958 26196.489993008 26781.5477476357 28087.1296913205 28142.5308651907 27948.7380642549 22661.0495131375 29317.2562140343 28358.1760684575 25500.7890343508 20993.308655032 21952.7657009215 25366.8224751546 24158.781767699 28663.4998893232 30611.4841492065 28714.3232975633 19479.9854024821 25616.7100835721 24939.5185893756 26361.7902439637 30678.9313400415 23603.93727459 23868.1726924844 22963.3815778203 23534.1772960311 23536.8565022519 23503.6202537736 20233.9652787123 26513.1135588028 24713.8418780992 nan nan nan nan nan nan nan nan 20836.6145446212 18665.1670449469 20703.6148385216 19268.8547223015 19601.5404520682 16983.751869539 19871.4493738564 23981.6261762136 24407.9215530401 25322.5871699607 26059.2567906416 3371.00266851525 2935.54798255745 3728.45905138288 4033.69182361561 26181.2440823041 27471.9649706758 26910.5450618238 28422.1080179573 23138.6130520773 22277.487957439 23741.1914376688 23629.3066144775 gamma-glutamylleucine 217370.660028236 149519.264139573 181730.844591144 167889.990334723 203181.717747287 191016.909234788 212335.643365413 235338.529679837 301668.22956842 206661.557296041 251090.725230358 191385.85923212 242713.708504883 241916.212925045 206659.185330629 194661.790187287 186325.210465761 170354.546162758 223291.935083143 205138.1327299 181668.425461582 198648.754625368 209920.145588819 173722.444986656 180840.03281484 184376.359646654 203447.074637244 218036.017983997 176364.642148122 211450.065411619 204924.487142118 214051.738143061 237362.856562667 212679.216835214 207665.841461821 223082.164213818 213490.932940385 222666.669770787 153760.886771878 188927.341336827 205685.464949138 159633.433493242 213882.198398827 212114.962427656 220186.951600784 155573.871333322 192559.991077866 198554.01676405 178709.518490304 232118.823417812 215974.331851576 215702.127602923 210341.515762715 215280.05349372 212957.177960373 210628.612419725 209929.940053061 217091.145528106 206608.134080409 nan nan nan nan nan nan nan nan 158592.301564687 151879.045230383 159271.876461609 154890.803717232 147572.434118229 151049.829901762 150975.488729106 211782.734645015 212322.23503674 207025.46381173 213753.129072058 32821.0246667137 31714.4371173472 30724.0856247727 29898.1340786994 223559.762207856 231913.639855691 216577.591335582 216851.237969777 195844.167943487 199634.573109528 198357.82042769 189093.194596559 Car(5:0-OH) 996772.500649931 606909.248936558 812119.949114385 702675.829700675 750966.646631386 783100.920482182 855844.251503712 792722.029715165 1104644.59886005 817656.576853951 1099139.18002984 903944.869451396 1020939.20557992 916130.267923133 1008729.19155651 874138.939406087 968747.846003972 888295.42960714 938037.7216003 950569.857079688 620403.487461382 695220.914012555 726334.495979429 647237.08955067 657257.025900748 718773.508648736 950519.021689092 935651.942114999 734308.248431217 1012410.87591239 780963.387300735 727911.108778839 909535.003469456 716240.619381177 924128.039029752 897444.79727625 888224.54153202 1059949.12645761 664882.658652739 814166.437413194 895246.132917553 642879.492800032 820488.566749449 934480.355102405 1056863.45370236 740537.679434627 934771.45250794 1060339.03144961 898719.826276281 971513.153378233 920268.838697575 907417.312190609 885108.457927261 879743.937743243 890399.608045928 925478.503882072 875618.048490243 879876.879730617 905319.034866207 nan nan nan nan nan nan nan nan 1014604.24616078 1005063.89886254 1010120.73361865 1010356.24584467 1008839.39438525 1006534.24762773 989840.653937498 903519.458561395 883903.070240451 897964.625015037 883541.783682215 2837776.54032535 2900783.88572396 2911798.93799293 2844284.73697124 1117817.43146965 1094550.31948545 1066784.19138182 1080680.20140065 933317.278443418 924256.220873188 915697.613203068 909681.632084399 Pro-Phe 18860.0297408105 17988.367147713 22135.6376069616 24417.6259157938 19961.8007534844 20923.9574067759 18919.5729960777 25225.5919670469 33805.7601719576 25727.2263859974 20585.8646089646 14696.6551191749 24611.5505864865 22992.6614664312 24924.698733009 28825.4685685467 22675.7028493167 20362.5582921252 22316.5870186129 33516.3229180794 22426.1869646631 21189.9711498455 23680.7907018079 17189.3733663998 16431.9750486092 19825.7419074154 27268.1923079537 18265.5882707113 17774.2318817179 27075.1451978595 24227.8154224522 19845.1350538863 23136.303379508 20150.0622135851 27832.4322537745 28291.5943013959 24239.1701488439 20559.3361014346 14284.9807096751 15723.029112346 23725.0842652439 23756.6825293496 22968.9039239973 28615.2553172042 25079.7933120469 16093.7844768015 24958.9618074075 18798.6846096499 24777.8224090248 32502.7946457078 33217.1616556938 31061.0118156745 30284.4464328238 33745.9120798172 31031.2682144944 33772.2764302687 32877.9506302586 28751.1772130186 31012.6787229813 nan nan nan nan nan nan nan nan 52842.9112767789 34877.4292413519 42774.7317593816 46508.437063687 35591.8997995095 39408.5463753167 35077.6555319144 36350.5493382249 23541.8645379199 26636.5592066161 28679.3253913709 22412.8075259152 18660.542268578 21358.8842200979 17038.2108995931 38815.8604037124 37609.2108097476 29994.3015650828 36045.6263943479 24232.8976562163 19715.5853040155 24972.1972849398 16569.34996224 deoxyguanosine 3827058.50078644 1461350.09963221 2699408.22792073 3577180.07592491 2085145.56644606 2295545.4462052 2575278.49104536 3142907.73133059 138714532.598191 4940311.0307406 3044909.23835279 3444288.12964065 4025864.39295136 2113395.00135178 3506736.93846766 2552738.40590129 2799419.70477107 3774995.80976636 3286844.22759781 338463964.365558 101319099.254542 4794209.39291264 2280743.93537869 2479311.13610073 2994601.28385742 3021847.32827753 4117966.55807082 3179148.94158465 5210140.07577348 2411704.49771756 2328738.76789669 2492505.03380196 175276542.388691 4267998.44732241 3130749.56435215 4207534.02596456 2241768.55493891 4278725.02018352 1973099.67869763 125086358.914167 3134491.4721869 2201377.39010147 3468355.43312681 2566180.52989665 2704580.27175372 2948903.04460748 3404327.39249628 2087189.71123606 4094781.64654438 2583746.70203389 3634856.27214815 3572771.85899716 3532750.69547621 3568169.78394133 3516117.83662973 3519563.3342345 3509565.71500677 3435961.58419683 3567643.43993502 nan 3526.270861 nan nan nan 3754.94321 nan nan 2740331.8852866 2734130.74510458 2800146.87750061 2747097.39813869 2741437.03412564 2647418.42235709 2671675.88300722 3520152.88306285 3564183.02300255 3568244.54469318 3499506.72916077 669360327.587665 3318201.77784538 439979646.719085 2830221.23333616 4618633.28184985 4709970.99029262 4248507.3801506 4245636.93580288 4598903.32856803 4670773.49962544 4150877.46378483 4184561.01947405 sphinganine (C16) 7839479.7870066 6309527.05271277 7662714.49148117 7461209.15790979 6267543.00529983 5958422.43225772 8072336.29344387 6861537.06061078 5347972.56921839 6791413.00684626 8393208.71003278 7002272.12870102 8810684.26270642 6256048.78958971 7168886.67934886 6334734.77081365 9037243.80420518 9141622.46948395 5674017.1657866 8025648.19495039 5146779.57631399 7848680.11232829 6859245.78019157 7048045.1072713 8190386.10637334 6983691.15273502 6087081.90060844 7004508.44480448 7884425.45807854 6259750.92251961 8337555.3802134 6543208.35610572 7796793.21677263 10174990.6135423 5591290.56151863 6202877.8462533 5424775.23470309 9489200.25054964 7561500.12576969 6386707.2744147 5641939.20661071 6600010.65315501 5346777.93284159 10202899.5909563 6248815.89448253 7713814.96730575 6240072.79645238 7874227.16931344 9251969.19153184 6477047.05610679 4273707.76719677 4274898.49717892 5007910.17615881 5526693.68648199 6079022.20763294 6745119.37350697 7394590.19369196 7221845.84774712 7317351.54437521 1372027.935 1414546.815 1861836.275 2548920.253 1328172.82 5284.075303 3106796.163 3526336.993 1172041.81167481 1776487.74452742 2426555.12109164 3013347.22335071 3703030.94987264 4358080.23536809 4241528.50265856 4376587.94331538 5580162.13295272 6886706.86200537 7191570.37797637 3100031.33350665 3164068.69326091 5320350.14893925 5197245.03258682 2518263.68260913 2888888.7308197 6853571.18298072 6909467.38542083 2494029.62561237 2719053.59609412 6023636.37623174 6158755.89412942 monoethylhexyl phthalate 1220153.72867287 1850343.26108839 1717973.54813602 1566208.44342445 1769362.55571284 1359857.61464392 1537134.51224724 1307183.22487726 875201.091063589 1579215.55530054 1139332.34294653 2163172.1587037 2765682.33888569 576689.229775771 2407688.58544268 1989154.42592096 2071097.88058392 2092194.34036198 1179220.41947199 2173130.34664971 2581251.41664244 1140211.03826506 1157306.27991367 2005051.06710889 929246.718688721 2187655.63457159 1161282.96112263 2222901.26314939 1752132.61054446 707924.495235247 795080.206100383 692667.920508408 605839.347756172 1666195.67645998 1171041.82814157 1943093.71468368 1142262.81183118 1081970.45089866 1701454.46276537 1094609.83850614 1674688.03749455 660706.893402996 1083427.97439118 821728.619373616 1511576.56156481 1537950.37255145 1379518.11141293 1244895.54146452 694075.80139368 1366427.51900465 502243.076372339 499345.255110485 488152.363923116 495633.575081086 497358.883280545 466185.987113118 473947.552590045 469534.035846075 486452.591006574 1305456.441 1304395.256 629968.0334 826792.1862 701994.7436 727937.0541 429008.2708 446276.4203 851325.414265041 858344.606009 923683.488684131 905851.076348033 864759.606719951 870189.139638125 905102.898864928 519774.700360696 491966.054261326 470878.088806237 477674.549305098 475886.256242183 491949.519625469 483641.782615347 456210.340125371 428038.287451318 484432.353533219 518718.67799882 556903.356151918 435637.170329205 433477.487050514 419177.97333773 409618.976658999 FA(18:2) 136046.417087089 124163.049863491 106473.963878712 113160.830280697 124512.817313589 131368.474469528 108042.833900789 111470.820783142 147760.955734572 138744.876782479 97756.6967121585 104892.876075423 136192.290502213 131305.463003454 105081.849230924 100611.750093922 122024.190120698 122138.893173797 118637.408207866 103644.566562755 141123.565390918 103343.765306194 118690.952078284 156342.199328443 101645.865588017 100039.460750231 92648.0300860779 114024.142538399 95857.0193209428 107584.517469862 99220.039613961 108240.566642737 98886.1167732553 120836.093020487 117258.925465125 118688.78379859 122905.363350757 131646.138872949 93721.1966949548 120578.916412166 109372.853551283 95862.8068822534 108517.447923922 97273.6500496414 98459.2838834856 99781.0591007045 107633.688676099 113020.444991246 97302.3903959265 113803.305150374 126060.028695427 121995.749540071 118229.835235436 126913.646934981 122396.613023676 123149.340702621 122886.09153249 125107.089053815 137024.592675583 39111.28523 42974.52327 21068.35319 19420.73971 45555.86331 40695.51393 24815.49159 25742.90082 131837.923840146 129066.925824956 130945.278523855 124539.800678817 125862.91792044 126007.456912003 134941.790799004 121093.856792658 122550.005650047 123157.894479424 323458.410759795 147973.092542154 145563.667778751 150563.40419552 143549.010939497 184389.513157756 200565.036302844 203827.274290938 198332.61242067 132924.592960749 138378.256757586 127287.498956225 142393.070534185 1-methyladenosine 6524.55884704236 3794.43377429485 5672.75966360067 5730.8726015116 5668.74080269768 5243.72051807537 6705.24752158849 4241.28774975112 9299.34884873922 4455.67129108455 10155.2292317701 9226.46494988171 8243.03976716957 7551.63038222981 7240.92351924293 5837.93623061087 7849.91781307982 7923.68447649707 6610.61609577399 6692.55601129239 7158.2661973278 8018.56135783294 5778.6940963014 6884.78430679339 5705.71411949937 7232.75252568075 3881.28638699927 10300.6228180078 6522.91508438357 5381.29604969894 8592.13118443118 6528.48682424152 10066.1863814522 9388.14265886607 6466.92127689249 7317.38609266339 4308.58646451406 8497.12786333546 5736.34931156746 4577.0649005967 2041.82806965962 3794.70403728192 5153.94582022175 9111.38144152061 7499.22205977931 7390.12370987129 4897.39404994696 6574.66667594818 7640.48892612292 5544.31012453672 5916.20923034895 6975.62801983941 6710.92049117952 7725.46850777967 7793.70809341049 9088.50459731474 9074.56942170669 9065.75540969676 11162.2186160945 nan nan nan nan nan nan nan nan 12375.0127042417 27165.3852121142 29593.8986184737 31273.0535835606 32326.255631555 33254.5328130936 30915.7837849359 6607.64478682414 6546.03121220902 8244.63238569249 10012.8951964654 1710.94530707331 2003.13815859924 2775.28321584974 4832.14922113301 5173.74847208585 5527.95705321239 7691.38610217803 6705.77402324554 2395.12030636751 4721.35013299589 5969.57833570445 6213.2108215691 oleamide 56999.226276176 77197.5291582661 95200.5285387508 60778.3475651243 194039.798783968 100685.876621362 76573.769912029 97768.6673688639 8979699.36788197 87105.4412942871 54620.1484568155 127574.213420309 103358.684893502 122971.209728077 84723.1198683692 56426.3059266559 60788.6220534305 222088.919536812 64493.5390255273 4032852.39478921 2845208.33049401 53115.0453794035 308931.372789885 60820.0058326922 196142.863409255 196060.175359617 120371.058026932 276470.658129755 66658.8912598317 34624.0818377312 207356.533223548 26122.4029954304 3933058.46869779 41051.9008898149 56608.6238935411 153366.452303732 237093.000014177 75460.0289694592 270041.010213708 2371780.91338014 87685.4765970283 42316.3687020904 67330.0454314332 42637.5782347844 138370.202772874 315157.708777908 43855.6197906318 37781.1072690287 71118.459461613 96004.8252466713 197547.699402145 200251.56528648 190710.856398939 197516.177872447 200308.787238254 198296.655142532 193427.448738288 195920.114538592 205123.052370244 nan nan nan nan nan nan nan nan 77154.1043085687 75561.2685795395 90178.750808339 100854.012136762 104498.704584951 95866.8222373464 94762.822706669 195496.440962047 190303.810649463 199595.045950879 193748.981824012 35551815.6786053 177353.588454322 22253152.8535196 141923.585632431 368644.099371064 388756.858328393 348922.894928191 369951.229256576 120184.207437958 123340.821182936 102763.025282225 115387.031939243 FA(18:1) 64449.2367965404 41357.2836638912 51830.7590660458 49709.2494113268 33857.1354721627 51472.7703432468 56623.3459107631 48219.9698374753 43794.7413245912 88737.2751644025 44837.9626734617 34151.7146634384 56430.2326353318 34869.9299595652 45941.475930193 46210.5932063793 60505.2678766957 37769.9860303348 33479.2273975964 31320.0639602889 30102.577253618 35434.9760588348 29979.0767686733 27080.2573887123 32113.9057728692 25839.1898419038 28395.715266704 30750.9117467585 22363.6786550257 25016.4953462129 30235.2339267674 23479.7845813166 31297.0432869683 36362.4495344866 27542.3655599141 30885.2562764676 32564.8976938706 40283.9524158785 36940.7687813364 41880.6932715049 28663.1760137563 30047.8151943371 45818.2628504026 27345.7823866686 41188.3930367267 28582.9912960494 27781.4435881203 26139.2500620934 35209.8699859208 29500.5145578815 44484.0985441173 44250.1356467475 44587.021996017 42999.0855244395 45042.0205586151 52009.7104602848 54096.2590628422 52746.1237128692 63209.3301078135 17471.79181 16186.65983 10091.20622 8593.745265 18050.941 16069.09349 12120.46758 13420.08456 52660.915481402 45503.9905127417 44692.281807903 42478.6712786771 47696.4807573676 44884.4496182115 46183.9154532159 45437.0009121134 41973.8432615994 49066.6444472255 49845.6348137403 18814.5143202869 17909.7958549579 16436.6555985428 13779.43378797 39195.0479136092 33610.9667734663 30838.5776712513 38558.4498980557 32319.5857665134 33006.3981653891 29786.7586979984 33979.700761289 Car(8:1) 103218.488083668 82396.2110104015 82950.0730494967 89958.4074344616 84277.7267310005 90182.2323343866 120854.245245561 140128.218192589 6626797.86512314 122003.295333532 91642.8710198393 84140.4447704472 94488.1559014374 121168.817184303 89781.0545122244 69729.896064991 69210.9309276522 63436.041160706 85575.9897019152 6450758.33715444 8943627.17554286 217785.464895011 184709.311974007 137497.004000686 134832.386617777 108445.386977057 112698.497660849 81226.8596589531 107344.36063691 103011.010514784 148166.119448066 122482.04396404 6147705.84112775 122467.900711491 142928.926251852 127389.201477644 121608.898521859 131982.51750165 78391.5946172211 5219800.88132502 65564.5010748916 67920.8494114614 64480.1241219402 61586.2451333567 61956.5734375672 46387.8438194761 59560.222910895 69019.5045268715 56525.6934341275 59285.872232083 103725.581053202 102411.688290096 103014.973318519 109040.166478626 104522.295703611 100630.667917158 108234.319725501 109029.151635343 107800.737639776 nan nan nan nan nan nan nan nan 38441.0494722895 43406.0609865259 42972.0374625486 43104.4058165135 43725.3354503486 41656.1797794982 43811.9679216904 109201.294160805 108338.588189119 107112.716550291 105509.042483041 4940429.32971803 26218.4622422186 3658476.38588091 26654.0280261266 149704.982957305 148070.97545239 142859.028654805 148197.963201469 98378.3304530146 94428.0875452418 91463.8402517868 94262.2696797846 Car(8:0) 1098752.56617253 752251.211805336 723815.737418837 747686.142713281 829750.020537454 826443.649402214 1173640.62902735 1123206.29690663 1364288.20994347 1148009.60357628 799741.498044271 769092.348500536 759159.057596586 983044.543206549 771598.850433892 567620.334717877 614812.026860833 642326.701818309 776237.828841285 557317.553849413 970092.89568392 367703.055402045 1152539.41387808 908194.678208677 1006273.43528621 81590.5906445118 66382.1149074628 670874.505184499 727456.624240691 660631.327912579 1211049.24048963 1332800.51851524 1222727.88886553 1053664.10984711 1292611.64208098 1206758.7879207 1374140.87696532 1292034.17507899 689590.00604255 1289176.36482356 604864.222293624 735396.061909591 705421.454025352 736163.541400357 720915.733125441 517991.695980477 672280.562332759 855353.222401229 641831.690617337 755025.871204582 892232.602755015 915594.098266278 874932.712674285 901061.20302876 878691.818983609 885520.148728869 881328.736763229 879928.792457376 909655.17638218 nan nan nan nan nan nan nan nan 477353.767895748 474318.88700113 476136.22755265 470240.427912472 475058.657187247 462690.178525675 485593.440354419 918780.491986185 881436.192790441 890665.541323816 898724.231810865 250188.166947238 260749.408677063 318042.123383938 315552.120084544 1258663.80747902 1227178.3401516 1267079.4758875 1328498.33418702 692777.724938063 724114.047791621 715387.665261521 722539.424196293 edetate 17683.3788094048 15463.5659231723 16217.1020310131 15103.628283799 15952.3236416283 15028.0913208441 16512.2886751585 18676.7053695667 19260.8898514811 14194.883479598 9210.94640793085 9088.8265381933 15138.0959508639 15368.8743003343 14415.28747042 15390.2743669676 15471.6465893848 14544.9504623722 14406.5275897904 17138.7021114915 15296.900724908 18249.8882490879 14899.7344524995 15202.2360789765 14667.1653410634 16911.2960850631 14957.1402158846 18013.2039761298 14406.5220043397 15697.2977119245 20575.4969589723 16792.9977827505 18180.979196778 17567.5676534516 17380.857403578 17334.42292341 10765.3945747678 16868.5743201692 15417.3525971146 18027.0243809175 15090.3047721668 14435.7916945221 12448.1552917086 16904.2641584489 16624.093199348 15387.3516061699 20203.8197441632 11334.6514574668 13488.1076276783 15085.641370826 15444.5943021384 15484.7350802296 16987.2022702581 14717.7540560962 15443.5004537845 14819.2903715989 15876.937683358 15727.8963328043 15184.7728701767 5532.347059 5089.695217 5082.29889 4410.982646 nan nan nan nan 95394.3243983213 96800.4953074202 94043.1430620687 98382.9488533672 105413.575311728 106316.586153863 107952.876240687 14340.0078325534 15007.5926951583 15739.9668398234 9605.42311191741 6643.89812058669 6091.91587327639 4226.66829844195 4742.84990282809 19305.5267672929 14199.4325295324 14876.6619609969 14736.4493340908 15070.1175160495 15757.6923698206 17446.6815788165 15689.0774265323 Glu-Phe 33584.6069891119 20263.7689676294 28772.4793474814 23092.7391344197 29272.0545554598 35405.9473879037 27936.8118930137 29302.5920422384 36666.2910488315 27989.2494995734 42396.7263213019 25560.0299451424 38623.9963439919 35488.5571609739 29612.5920385546 31664.4384335527 28310.6484564962 30849.8250852067 32764.9981379695 28481.8560274594 24220.1037365896 27121.8792300726 31334.1020702033 22396.3971121457 24838.4269207669 29523.4924770138 27923.6872158148 33875.6004536727 26004.6370410252 30156.5991627075 26211.2596707571 27038.0996278331 31511.904204099 28931.9790206353 24413.5040659553 27880.1715712868 28313.7787469785 28867.4144293998 19184.1310866097 23055.979080821 35725.2625737448 23219.5853579475 33790.7069793536 28218.1316131543 33216.9812403869 24819.2018337323 29684.2747689984 32487.9847441936 29708.2264616459 35024.5531987023 31348.6960500743 31421.0037168719 30104.1073682326 32283.5221540829 29226.2632469086 29092.8082560292 28798.6473319606 34490.9668441545 30805.7434624774 nan nan nan nan nan nan nan nan 26452.4672750753 27045.2262915651 27184.3245510168 27862.5486798366 28974.599715008 26727.7366625826 26978.0917797845 30447.6678583332 32815.7068702078 31620.466000609 81725.5512340733 11815.6088318267 12017.680755437 9589.18058736713 9538.56364274768 36963.4544723615 41943.3131817232 40515.3848846199 39789.3456598129 24145.0235959374 25318.1226270718 25698.4787071993 26078.1701729861 5'-methylthioadenosine 736267.09555711 572608.134405209 693204.631224474 695856.157056804 683700.629721396 663069.69010254 728199.259716438 766739.904560726 1082224.44762792 695594.795240034 823997.192805507 715002.439247157 717940.825486105 855999.402041941 624978.987491818 473108.896893528 654848.4332896 538916.178126024 486333.970604978 551069.602799029 538699.91650842 701191.76223949 534811.435946402 476818.255526175 521200.755796156 501332.558204765 478903.129412764 557343.605818762 421259.297129747 720570.033219525 835096.766095445 691759.053212304 891603.714983721 524393.302639412 453358.550601843 435702.160458123 431747.448102734 507771.00795849 355142.901082433 335527.89672755 376999.784000691 389094.05048546 360758.215160477 755337.706631234 463011.718401397 324964.244117601 346405.189691371 363428.876194246 442187.97048086 329808.435133052 873465.493163667 845345.495780376 838788.140658069 849711.245491941 857371.935366104 860060.732579509 841010.725982764 842585.143400105 853519.498053512 nan nan nan nan nan nan nan nan 2828220.87382814 2779650.39043816 2802727.33863528 2765897.52499027 2687358.13752047 2634991.85068482 2633039.29019035 835442.873964111 858966.056418985 845367.730358443 859119.237532117 706985.263541096 724206.943475307 720226.475247569 706965.996670636 774645.331174034 765584.483786887 801778.39038948 811802.313251682 771718.567639032 765751.193020973 833250.866996609 822653.675212315 sphingosine (C18) 4307050.87761507 4389165.76513368 5252192.26803335 4465662.61841713 5297169.75464613 4268350.93318993 4606184.06663725 5058591.65097702 4475998.68993999 4836119.12539506 5614321.70373022 3964694.85718364 6794874.3680664 4706657.30559433 4623049.41909677 6408914.60288961 5433624.17817241 4093524.23789916 3451475.25563415 4188390.24158103 3951603.62609752 4203829.72726999 4037306.30510515 3936732.54944544 3798061.99945077 3373211.69208238 3724347.39755786 3633447.55410099 3025499.14838942 3436729.32860709 3353056.01652914 3616012.13996124 5023372.41335382 4207999.83961936 3384183.32058323 3502474.64960888 3156792.10446443 3490670.24927941 3305192.20595208 3150024.88835275 3402022.6798486 4039390.90647681 3271077.03133329 3426727.04362541 3728491.35515624 4387794.05202192 3460455.82851784 3454560.97060073 3657842.34671586 2999223.43975549 4569382.5940924 4493175.39040864 4901564.54458475 4850844.89600167 4773286.47214447 4736144.81350923 4879230.76753257 4765586.07110163 4602538.27331842 nan nan nan nan nan nan nan nan 8389200.66167779 9095402.66698354 9130928.09322696 8891675.73131889 8772705.40439536 8960279.09248408 9060082.74701727 4569248.6727071 4776393.42249626 4802213.65784688 4797768.50940574 172293.377865746 172302.218847171 198144.603597575 173314.765626593 1493972.1582529 1830235.45190213 2267081.79200246 2231278.20333312 2463050.08367455 2622204.72806947 2512704.36204095 2750289.60921121 Car(9:0) 11196.41509387 5392.84491877918 8322.9870966517 7426.44557260299 8088.82271886014 7815.50994663054 9102.68048518169 9449.76681764559 412030.972231144 9472.10470498418 9699.27319023636 7711.79135946656 7889.20377105265 5657.43084761799 9266.51390848006 5920.88432730902 6673.79834865961 6083.18992471245 7228.58142599668 606469.957717946 475800.34141776 8098.74828846154 11051.6411261275 11113.5789305779 9426.23595502028 6669.29464567483 7135.42984619064 6870.25667810812 6745.4467657342 7335.06025153255 11221.038172923 11239.9607090955 525872.30738705 9540.27453303042 11166.6503120889 8593.27764024737 12270.7754053115 10848.3907170944 7078.34511356705 458070.925493512 7252.61192570627 5858.44230518676 5344.71072758482 9269.99386391058 8751.96918197493 5243.17221409315 7977.61539986297 7290.79552226182 4999.86482005411 5698.10844483796 8196.14799628403 10036.6853055903 7027.35597435598 9468.40650255902 7856.02773388272 9252.3196819451 9067.51710204431 8739.36980423556 8917.2510214494 nan nan nan nan nan nan nan nan 7272.85360222672 6958.13699892204 7516.23352054035 6462.0398600783 6617.00263559656 7378.3788046765 8231.48028266652 8589.23749520852 9311.3756443713 8967.29011905304 9067.09722518938 1261514.53418854 6343.32684384088 1184107.29499009 7869.64541697831 11173.1313239614 9599.62924505819 9262.99779043212 9637.37195746239 8187.10204130763 8218.8942159664 8253.78821095275 7169.5534216642 sphinganine (C18) 2199927.47984068 2207552.38213114 2813647.39318188 2523751.18369397 2481307.2991764 2495535.12003985 2646011.49345517 2604084.71382941 2341137.51337884 2641648.00913601 3128345.69700462 1664942.91658051 4404078.12726889 2427269.27614318 2411777.21810968 3133052.68184581 3285888.15957264 1738254.38874266 1523870.6840072 2250572.11613492 1813472.9694557 2039095.82985887 1979894.99583288 1426790.89413737 1911192.76530941 1577400.12359772 1979461.71754388 1893688.98341488 1427478.02513623 1634784.79950195 1637843.64802731 2195615.87262749 3618708.62794992 1781027.32472288 1709333.56773669 1763901.68400469 1817210.13498976 2096766.73473977 1584427.35928643 1645237.51519477 1646672.13476093 2085918.61086369 1678514.68443443 1580263.69648628 1888264.42676342 2163168.01965573 1586376.10142755 1653385.48547132 2021540.10778307 1395441.02550935 2876223.75667986 2561075.80525856 2670457.21420706 2638790.77213658 2676424.41779126 2658499.07319222 2652724.89778017 2636051.56716063 2612086.9195802 nan nan nan nan nan nan nan nan 5552871.3974681 5432931.70235848 5429113.36327621 5417892.02274447 5278426.28412797 5316194.28124656 5337803.20884244 2574203.84928246 2617812.11050225 2640813.41184209 2645723.0849698 51761.5668254647 51388.2657790181 54581.0990137757 51003.8555240601 1149081.14804646 1267831.25760745 1293629.40314683 1234010.24932597 1192247.49047276 1172123.69862594 1089831.43607942 1116677.92724989 MG(14:0) 177100.742199057 124188.205190639 149202.316480387 157845.592237203 157188.833113413 142161.8101521 134784.087163162 114482.26930645 194779.686573439 149063.905342762 159066.842997543 159338.223884415 185470.9740848 184166.513907001 148407.099096616 139928.69225844 201363.173234113 152063.400848465 146270.991045259 124241.745456583 327715.813894492 102397.726566847 141714.665677416 207303.862346193 92133.8199466062 153437.263059142 107882.063563985 167888.124571968 120438.173357718 169632.522008141 129583.311736606 122690.115963981 97538.4611159565 153157.334040087 134951.377890433 145839.98466117 134687.618184884 102691.028887237 133849.322551435 124541.188364933 142877.279088698 130877.064622271 127935.928442803 114638.248841954 151540.346129626 152060.500506724 143701.415556281 104337.096576291 95458.7005203773 121608.024004874 148201.318066367 156022.585769743 156983.488262389 162407.124458126 161906.743102385 153305.437417477 147579.932781446 145548.379275382 176039.040195125 57397.67199 62659.61722 22723.89258 19670.44535 57661.61673 63234.55499 24852.97164 23291.60024 338058.658740632 316220.452002071 318992.114585897 294716.5423256 292668.164574908 282394.181422271 278399.878063218 168589.567163935 161556.870037925 154968.418876135 147151.241456935 79436.5747490628 78221.6248735303 52994.2096029776 50208.8939438645 112988.28941914 119030.354656241 106469.344469571 113526.624256115 118203.105831041 118392.946977371 82325.7911137167 93724.4783748101 Car(8:0-OH) 231311.012465773 171987.793143934 157322.673244431 163117.957220518 182853.696214901 174266.54592529 193064.406822579 163475.862187005 199638.205871892 178027.093593316 168556.598220004 130456.558927753 152888.255897647 161475.716564289 137072.403979812 116167.258129842 114175.488595948 125973.522942003 132640.476193834 119362.799210809 162130.59920722 150634.092222548 179599.029193379 133014.224710349 158202.839580002 90781.1449754656 102369.959365581 123956.435993788 105783.963060379 110926.864735753 173541.445192385 199218.319936063 184891.98166069 174342.821724708 198914.873521763 207306.647772539 200159.955490018 227789.194705585 137785.717621948 219282.151922638 139247.053755195 115342.651616466 120017.288495473 133360.940555249 148257.209685961 104681.450981004 113513.771108401 161212.845931423 110698.393799101 123878.222702968 152572.906362093 164822.259638561 159893.929992405 165033.082392516 159887.356469628 163025.551112046 160138.727038741 161628.773274787 162408.393197643 nan nan nan nan nan nan nan nan 148966.849411526 138823.076675155 146959.122425081 140328.123966159 145200.062017895 138195.136455164 153957.346335992 159316.167900252 154027.19034869 168136.535869721 421883.68685495 253024.40988995 257091.051770745 295106.167502828 303423.329952298 178085.224964776 187125.579477979 191650.885551838 180673.83537887 115486.246497014 120119.828493399 114672.030555131 120089.487135893 gamma-glutamyltyrosine 17503.1867943277 17223.6792647977 23920.3122732485 18881.9158919724 21475.4310863558 23773.9787310331 23415.9114414288 24811.4647624587 29333.9978770769 21883.4121752675 26045.9583340042 18167.5247214958 30535.4648640931 23689.8783664297 20500.3404819943 22808.7855761785 23307.4271912835 16046.3815151911 24813.9506263944 26509.528228589 18243.2202056459 24247.6322269564 20478.4368176284 15414.6513236848 17985.4785037309 19626.0422344999 21322.9412290942 28326.0531717953 19298.3436279551 24636.9177360091 21693.3310199059 23954.6142225282 23001.1951126928 18026.6160773851 16665.5238446617 19100.9930250394 23149.6365264239 24806.3402210491 15239.8923081934 19436.8123052661 23223.698406329 14663.0288726671 25094.1107451915 21402.7512962689 21829.4994267672 14769.720786767 20712.4404671827 19843.6333012916 21192.9517591426 24987.7736654235 27296.7571311174 25116.1536011118 25621.8175445909 27003.6021666723 24455.5079520476 26188.3863991144 25049.012850241 25774.7985819012 25893.6580530168 nan nan nan nan nan nan nan nan nan nan nan nan nan nan nan 25268.368677318 25510.5130298789 24444.0839517596 26795.5442151481 2295.69600543939 5735.79328302172 3938.71153363979 2476.12017882964 31183.8789886613 31749.5368078696 29611.8861148237 31021.9110490296 14883.4243322796 15951.0124246085 17484.5583207726 15791.3448841467 benzylbutylphthalate 665230.300871028 573693.719105029 595543.664787169 474094.256597622 583025.36170175 689091.084112192 490186.724937679 493027.060442561 498706.170244917 517206.333698751 492593.844349778 519450.72713562 527160.425595363 520036.350608836 670674.020621674 619849.185666835 668721.048979669 581290.467756014 563975.212095918 585000.665555536 573519.431561292 517264.925710665 477724.181026876 619849.27511924 499404.815907439 714206.940099644 613443.952936844 569066.44821355 600573.0508751 573073.915629508 508475.40045112 519032.400428786 557736.6313223 532519.550609474 525579.135287761 576774.687949706 528599.120840821 483785.959580837 711035.549411308 526640.977006101 567923.701953408 609328.511363778 631270.35465347 554455.964712711 730745.561443847 613562.620811095 601388.975885928 553918.265945314 472277.287296086 576309.690442962 707451.502798585 601625.210190511 574675.987275815 599051.096646891 588021.810683106 589113.151390398 580128.042007959 555915.305060398 611268.94785311 908848.5895 822942.6763 393483.166 478096.4149 877177.5902 904917.8246 420962.9427 429554.805 771573.867933018 756072.871944986 773004.2795133 781249.2836254 732593.888027738 728930.268813522 788386.100383088 617948.43845614 587789.277091465 560969.531690453 607363.396519525 697536.92240489 727369.748736399 676088.571722104 663681.129434814 436142.248904217 477691.94960721 512465.443225359 511192.97814155 568385.373369751 574702.893707035 549886.624159065 563495.674676998 Phe-Phe 13893.1883351605 10086.787139704 6133.84503736614 7627.82242185395 10105.4845074325 145825.763053703 9937.76544521644 8034.23467284833 10604.3373551592 70402.6406080996 8068.26395954424 10363.9594091756 4688.84091046147 11562.6985055206 5456.13139341992 10509.7805359436 7166.52690201344 10765.6896728103 14179.2902087453 11877.427382175 12643.7007140163 11177.1911182143 9054.25707503469 11626.4778004893 7838.84557339451 8877.65356252849 8629.59392252185 14196.9370316137 8535.51706958842 10312.759365769 9461.23190552609 5391.65752294276 4794.02168732023 8775.42008151119 7041.02833643346 9121.43693452219 9180.56783530062 10100.772232611 8189.88726008089 9266.44193752093 2877.27057180962 89803.1630100801 9185.50065039207 8672.72838586179 9273.24740868932 3136.18073315976 6635.206188475 11316.3131386798 7799.85136272659 12168.5794701085 7951.58440345163 6253.18259229647 6804.45654477555 6870.742787696 5793.80259440226 6043.93241159654 6835.94147089245 5594.16367659781 7587.66322942131 nan nan nan nan nan nan nan nan 6907.95515797423 7005.49429200934 6747.60647033922 8025.98802461165 9184.10126362099 8509.81026677834 8814.49229582023 6279.24356525956 6836.92047724776 5163.0930915402 7187.58529253304 3784.64169408902 4689.98010025565 5305.06024696678 5829.12145904396 4290.54524317186 4198.89677920249 3438.73527319153 5027.28486639996 4317.84747832457 5396.1641785484 7388.17065441779 6180.11463456523 Car(10:1) 927457.803151453 762984.37069776 720303.701880518 775932.638501749 745390.206660204 807847.885818784 1068840.40919275 1066257.70729112 1334712.10493496 1041226.41745229 722297.047284582 644606.798680112 689219.76159779 951068.886040783 722577.397395104 471802.175032954 521846.309647606 540331.584385357 696941.447537728 504287.682263514 1016840.80776444 793448.962529986 1175819.10570447 867843.226718723 863701.401667004 592615.604105959 535631.972964715 549302.987315108 579558.709429016 562570.041302685 1234739.11969714 1210216.24869233 1111429.92795038 1036254.45645163 1275118.96312616 1189018.83904086 1233182.47942486 1165597.96275432 631608.879043761 1239342.22133838 520427.41106173 597257.055960695 625745.222394084 652310.237424275 579862.811577156 487982.844706803 548039.201295953 737642.937025224 580070.219393515 666122.849480063 834207.356555423 819479.430251906 815324.319960646 814618.445441283 840656.864368204 814705.499066037 799194.072146258 804762.9277769 822162.948148088 nan nan nan nan nan nan nan nan 202743.901863339 204558.787047791 202601.268735878 205008.806852009 200336.882010036 204956.691482265 197881.164480522 834070.960923889 826343.835367091 815778.324139673 825998.558018455 71721.8285643516 72713.7135925149 75648.4245177484 72297.8758638047 1079493.7686734 1054752.23973801 1069137.73793245 1065102.67271953 625292.165873658 621949.849490429 629394.499433671 614064.893363939 Car(10:0) 1282532.73375886 743256.721902302 683092.577576112 774697.31535719 900419.288298786 848118.966323368 1176509.64462221 1128579.8504645 55282970.0298227 1250769.8676978 820631.901704008 793481.650585001 876437.858143967 980559.315986382 803519.137694679 593326.149873821 651648.497650794 662874.997068344 811918.99710272 59087724.965422 36248065.8480576 745915.593500526 1186061.29559888 904065.198096124 1023749.54269546 642553.905178726 647485.912787294 644162.140240384 677741.485593334 614336.367655847 1157076.57317366 1384627.55450495 56606586.0774304 955296.582173672 1269353.12718086 11337.3327170542 1387522.81750845 1342911.13782191 712893.334981423 58125971.3292226 616845.453876862 859319.254154293 758086.802205648 728639.202727199 787133.249590116 554939.281567415 703759.040364195 945094.056384775 665016.823878126 793297.483507863 888428.966168008 902615.713452223 920283.755542798 922727.157074035 915056.141179111 920157.54529647 914203.277184607 10282.9693321776 921844.871389249 nan nan nan nan nan nan nan nan 633232.226115766 649082.278105945 635334.558160552 640907.723421134 643167.735141858 624150.305040805 640643.779664957 904966.41750893 908952.564384374 924288.680012204 934625.494235264 51025932.761928 261812.540919701 40909813.4262124 263008.101786699 1052828.94847981 1080908.32727295 1116707.86695495 1111133.9533258 627492.935594511 635321.226171882 650649.966087488 653044.880760824 Car(11:0) 39248.3304624009 19593.7362708781 17250.7154785793 18102.5714929496 21280.4434475049 18448.4365594456 26810.6859516858 26298.2642837197 33301.6155504826 24941.2880336361 18522.740133576 15087.638690257 21087.2442283624 22230.9590030919 15824.3144204061 13852.3913520638 15305.122032228 14298.5433264825 16195.849362564 13962.2343607933 21343.6264366624 21457.8006474419 29773.5710368435 19359.7507012735 18292.9751367854 14727.6111206892 12113.8158700047 14739.8835074097 15009.0435288949 14831.0603735628 26842.8193042335 26874.1709216787 24704.1600084346 28741.2169816826 26623.9765293296 24533.2110530264 24974.6247592238 33051.7101468735 19664.0915947724 28709.4198370226 13356.206112103 20683.4843514867 26411.1615361646 21013.7938296338 21948.7529231999 14495.1990348348 18949.5080687525 24473.2596228581 16886.0961253655 17984.6049369418 24429.8958844764 22398.6581223853 22398.2090923129 20408.1238217671 21724.7972194229 25303.7613579952 26088.1071599137 24253.7193863204 23185.5885609604 nan nan nan nan nan nan nan nan 16281.8017553196 19511.2228305507 17679.5625028788 21096.4779480603 17968.4072812546 19780.0920893989 23392.3201243266 22989.1535571417 20578.4778456927 20116.114895006 23999.8474236661 12132.419404679 13827.8770451731 14110.393905117 15427.397966724 10673.2178169224 16097.8343159372 27315.6815413109 25559.1672724553 11319.3573088893 15367.0145011159 19313.4438032259 17337.1802134851 MG(16:0) 1769936.12393482 1359451.28531477 1197287.95333417 1575602.4220013 1347551.31786243 1177308.63465238 1451703.11935359 1277736.80333904 1611448.33900031 1658691.58747895 1312412.48717861 1795230.79295589 1605264.71649624 1616710.09589535 910883.930974392 1051715.87972247 1685563.82587951 1358106.2680988 1170577.44492539 1006729.32505802 1931195.06397218 1059901.54973132 1435517.87126061 1954039.23166442 1193487.66913522 1213668.61370158 984103.564636673 1298226.86956839 1082519.24627729 1197665.06632998 1321924.53590921 1025424.15110302 942810.864675259 1480902.81254565 1241495.84194546 1338172.17336555 1130842.3383413 1244406.20149606 1445361.49178395 1303600.46629596 1189726.34383464 1268479.78184791 1262750.30762284 1012426.41966249 1246276.23438797 1199253.7268078 1069952.19453183 1216935.32829173 929563.188057582 947563.08880129 1304133.47027646 1394113.82462703 1300872.26026803 1386563.40704524 1401618.12266239 1386046.83541369 1359813.90196532 1325021.72788071 1516305.62491148 118435.3178 104740.6338 85490.3541 83165.312 117317.4164 112604.1418 90715.4123 92368.37424 4834681.2794388 4542781.0658865 4377123.22239477 4409324.70010881 4448946.7903919 4375463.59632174 4245880.38348823 1442181.4010865 1362638.6723894 1383526.92583247 1336430.70406346 388519.148032043 396956.05302596 320643.997887981 311827.794781615 1067131.13242811 1060576.40933312 1047619.51678185 1129832.84937276 909460.133297608 934880.62289643 780808.652402651 849883.796694156 Car(10:0-OH) 383127.883949394 240996.777567877 205218.523628652 197366.445028122 265074.501985638 316626.569802966 861917.298774151 228226.147537679 279898.134233723 286203.148519587 580050.121458555 213654.674458321 242821.94375281 277641.004821263 228544.243613081 182079.881135069 198928.731203483 232438.701361529 237788.187560262 196185.003453606 238391.934483379 444333.366804183 305375.248642393 213305.861282982 255073.886018421 169136.219482565 210798.968249472 494836.038706996 202859.605134562 215951.368126753 289383.91788709 351708.515732103 354155.709296632 478101.667102162 307651.378637758 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493492.780057985 411081.04028777 381125.192378686 432383.997761508 515569.44597809 376923.944429338 285130.306389342 313292.03589328 352551.77462647 394119.762643059 314943.07153495 428649.069722122 406524.070324338 529824.3093133 397995.000941644 440864.909844845 327210.375350605 316851.406123174 340878.582068788 341139.835629095 314194.676165188 524340.956604207 560626.922554143 546015.537374036 425236.637237334 550296.902933673 571676.580136588 625034.799078085 591753.598408423 324858.492614594 597174.527992805 362094.291112614 409459.30199161 375229.245128722 406958.281704316 427190.634614827 334683.930112985 381791.245044559 472558.592220541 367908.161302657 375670.755930844 461996.275194862 415588.020803795 420437.605543676 427638.182262363 443040.120176173 445783.297452185 425709.461253901 440203.614973391 439236.106989979 nan nan nan nan nan nan nan nan 205814.051398175 214508.883590724 216858.569838252 218545.223299754 213642.526075427 216848.004325216 220655.35219779 422190.613599501 435569.88655488 449830.580644936 447631.295615012 157454.180662355 162682.360210584 171135.715664854 163125.737683321 263270.629656905 352410.676320548 501321.788302383 537632.552070346 229496.308299631 257868.975151377 295334.202513588 298887.715302871 Car(12:0) 5601187.86151309 3224824.32586186 2870910.2395706 3317538.63826879 3751186.28650793 3872650.51437629 5589409.43983743 4906206.45228094 6230177.60066129 5272772.71764202 4090644.41417471 3721762.3375824 3935479.23403759 4551968.85230109 3658281.27538005 2845672.08715918 3149652.78044334 3169959.29727256 3661715.02680643 2698332.60976262 4035214.94653183 3186192.97659466 5231661.51452839 3956903.26312204 4551760.54668128 2829296.07784696 2992703.17500712 3018711.78136006 3029861.18409699 2936976.44860622 5246672.11262715 6356985.64208636 5678378.95841368 4335035.20798044 5810466.78814284 5304578.12486088 6157129.58296342 6462103.61186585 3441060.54391713 6100150.59912901 3007934.38932575 3869608.55961108 3490877.15268181 3444491.56749655 3810071.21792874 2581586.25552539 3449299.06434454 4200605.94820803 3019607.79964825 3716776.73025616 4264078.60872633 4016206.99923736 3985424.89833809 4027229.75590417 4057345.03098785 4019082.59694944 4004788.48200753 4007757.74509685 3971096.87376843 nan 3697.040379 nan 2364.130833 2410.347952 1881.776061 2880.407958 3673.959148 2484848.13233171 2529823.13660266 2545730.81196044 2539020.22559324 2565388.7475941 2513701.39971112 2551755.30808662 4012391.99425187 3988919.90146028 3993386.13803118 4018523.29095705 513613.399416016 517778.682996487 508399.629301133 506461.132142396 3454071.3037684 3189907.76247717 3044542.78166118 3095193.58777052 2164779.04490924 2120906.54466504 2235906.67553877 2188706.00028273 Phe-Trp 5567.8927745616 4486.74496476075 4211.51467008019 3038.04300479387 3700.90608955504 4174.99519505501 3498.78445112934 4633.99648465704 6634.94957458504 4309.50755933713 3794.46018184924 4441.00902076212 5715.08551619723 5507.06738713359 4005.04540882972 7814.81494681694 4895.32874011563 5671.23853157444 6054.5062681873 6601.1376524111 6095.49631697206 4371.04344889097 5359.40909080766 4930.76264341918 3425.34976870324 5390.73731597087 4804.61253258851 5624.56261740919 4194.44319909565 4424.96448590695 3818.96425474294 3497.1010160358 2888.73478012925 3134.85305489294 3780.72329333371 3912.04471182052 4706.66107890881 3663.67178929038 3880.07235011384 3603.51455294442 3986.06755657703 3235.01508085132 4194.15634741293 4443.2912333136 4418.62765586528 3166.45608252135 4721.44524742267 4545.11759333687 3177.6229167765 4179.20498880935 5831.23977053299 4437.10864079236 4486.56065603197 4224.35587001542 4259.63295752644 4790.26698611161 4605.69797812321 4531.4013558314 3935.2491838652 nan nan nan nan nan nan nan nan 10757.4399967923 8553.54166112128 10158.1966041662 10062.3414592538 9898.16137296365 10149.4874819858 9510.39383159903 5175.52007449206 4438.22346322836 4722.34294681074 4338.69070069076 nan nan nan nan 4964.44696755748 5122.92391384314 3758.32482212603 4490.44832514001 3438.27587699757 4479.96089372638 3633.03377777002 3131.27024674271 MG(18:1)_b 3996636.19774394 2795086.81853179 912446.816004645 2331214.76197524 1605943.80584722 1405548.34116251 1424648.26866708 1947745.07737698 3498229.52909987 1197183.0336354 1194456.00131957 1291748.42865179 2168325.61374013 1567326.49780935 990821.252986546 637879.655934696 2044586.68810225 931253.523456142 1802907.00193511 1423143.74417718 11132331.1230181 739288.666302236 1014679.64354943 3446015.979306 655310.085333315 1432697.77590964 1042981.6408564 2181304.53585881 1013055.22302999 2345306.46367622 1263153.44691831 990095.665975029 869402.46216391 833436.091023647 939542.921602768 1212554.42186649 1100696.24415975 1024523.75513075 728415.569362121 1050232.7336493 886359.699936608 1194764.78509897 783157.080452155 959924.944421567 892356.675932864 1138738.60435555 797599.780783975 1028062.37375318 610612.060801291 955151.157225956 2003633.61677793 1931142.59724037 1896993.17548703 1924371.09982045 1952966.41262183 2003004.54056741 2017038.2504757 2001798.34662875 2335689.0413831 39559.64805 41348.87594 38087.3508 33235.81801 41985.01042 47125.56039 37206.30649 38630.8161 15968924.9607805 15009911.4212205 15018216.1055845 15128154.2183189 15028832.6202945 15043650.4867254 14726860.707997 1951357.75018381 1943302.86043501 2027564.74225582 1989315.04215419 362276.411528537 363556.21025919 277724.005350506 271103.564305598 3008011.54515018 2800673.37408095 2608808.32450149 2841524.85069442 1928883.36722047 1863354.32040869 1740461.64939712 1832088.92147723 MG(18:1)_a_b 4196603.42495587 2982622.78817749 1006703.17997549 2524259.83712951 1687252.73410628 1531308.48201883 1532766.30983068 2099122.27761346 3643872.82705462 1309914.76929654 1284384.77912634 1353259.81206129 2344814.86022283 1663878.94484363 1078694.51443639 690997.984454288 2215071.4233392 1017974.42659665 1966608.84901735 1569233.14615595 11566659.5264319 793076.980771055 1110542.33956407 3559197.30188101 714880.878187419 1504265.12873597 1196656.31994847 2262965.73529722 1105774.66722039 2511076.04087963 1326623.85778503 1057564.40091635 956555.095744123 882444.179130499 1017481.82354003 1310190.99182827 1186713.68587426 1115097.80859659 791547.060015485 1138424.67596785 970111.486886937 1301135.75309577 869799.735715807 1026525.44533899 967909.853659428 1207832.61587718 865750.089181383 1096449.15052121 669549.714795768 1043531.27617211 2146223.4068742 2048615.5821033 1997554.09172814 2018114.89511526 2050629.88166381 2092245.52539483 2103156.26373597 2080182.29215149 2417783.65333819 83235.69527 69256.57159 55351.24495 51912.83288 67770.75395 75772.77985 57346.49429 55949.45636 16076571.7187274 15110887.7091048 15118649.1507361 15223570.8114494 15128149.7508384 15135264.1365592 14823232.4825817 2068180.21881451 2042283.2368946 2116611.37601373 2071084.07679734 448588.388395351 449535.210660845 331735.767222414 326851.284435807 3152222.01445854 2939329.21112918 2702799.96380899 2941762.80417494 2000457.90378182 1929712.05129455 1791542.26899074 1889803.28234251 cortisol 13811.7079008197 11893.6939368459 8399.57180163303 12335.4593386245 13279.5523375853 14374.1356680343 20453.3486183252 24132.9252943794 17683.6438599491 51574.0455476868 5414.3082525 5058.33676527388 5762.78381654456 3690.00076309391 6049.70168467593 3653.55602042494 3902.20184569792 3882.08913450903 3481.06506922404 3926.38474240734 28187.5397953228 16928.6671661315 11678.3898154792 28594.7999242394 34030.3710617477 5481.93959856014 3740.35782538592 8174.01437725091 3892.05462641374 2756.0364326375 41803.9319623552 29036.4749879358 21660.4523332571 18108.0902899304 32082.4903333547 18892.3814557382 27298.8501004217 14659.5234281226 29470.8336629418 45121.0412164115 5373.72053482368 3094.17189767705 7547.90410089543 7110.65991677479 10506.2416508474 3748.0370580439 4707.40989409238 5214.5332821202 6493.42938176254 3298.74791819335 15158.3597598843 18115.8727778326 14272.4432601392 17337.7595140736 17264.0883482048 15103.430358302 19444.0188952409 13608.9411430747 19513.9644777207 nan nan nan nan nan nan nan nan 5217.62759492668 2565.83463548218 5037.09011862649 5778.48465852724 4214.54281050812 4750.55458851614 5727.24751236529 17602.4205679597 16237.0329219144 19133.3256541076 18378.9005214531 5578.71743999438 6130.28198527727 7539.50794536781 4341.82731751144 21645.9187501649 21053.9386927319 18069.1042659463 18559.4799282804 18380.724152467 17607.0984760383 21389.0406947067 20179.7128517623 GMP 513061.569665158 276452.238400164 253454.936045528 575422.269858806 371112.165550933 357012.001908669 387178.715459301 465971.088363733 395462.969643089 945852.908904443 338846.514895947 326402.055004115 317503.308587773 316928.251014662 370919.573732901 242796.443514606 250494.115244553 412763.97476845 444618.001170466 302205.773983647 319976.817211201 1048341.76950918 316362.418367 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537452.024394172 533651.151116547 Car(14:2) 426192.43495608 267895.005794992 255040.202150229 200676.452161795 336892.99271187 489358.889406532 350255.730990377 249208.11544295 303338.266935411 328433.726593807 224215.856631244 201823.107379268 264016.667613761 333187.411985259 223635.239175698 163108.160387505 210431.41093042 206899.555362721 246278.27865525 202192.149278123 264836.658161599 218675.953774204 357752.915987038 232862.909647411 280390.100202806 193282.35980806 223872.720031829 209243.303469355 217729.745681756 193672.871639629 301648.055876804 404226.712275535 377514.292085276 255354.065219139 352623.671154591 384338.832335967 462953.713031053 384765.533943756 241445.447226133 417671.319799838 260798.509807013 258821.736985471 259813.126628807 257017.278661124 314189.682890342 222322.081522624 258654.559881227 293577.269349256 261727.670848407 254623.289850276 266049.453137374 274079.384743499 279565.532089014 283012.188900733 287484.66229798 267212.474891867 271953.727968757 272497.34564062 260360.100020885 nan nan nan nan nan nan nan nan 480861.544455895 617798.28650711 604045.747394151 97093.2708983562 600825.270476842 607798.755636418 624251.464202829 261183.982073674 264144.923277252 266376.671537359 280844.527518256 226756.095136203 241594.097975981 257514.854423082 246962.279246814 182929.479618363 204051.927995937 223442.072653326 222186.222158413 122486.281323325 125632.182094641 127423.431105823 136087.86000901 cholesterol 766009.289377135 711438.183570687 678383.011421593 664311.53045255 693942.191995964 794350.389678527 650005.221428458 672871.607264536 31038018.8832197 597586.800971587 659093.412334351 733892.204713036 573627.094237939 684673.009219364 731310.414088268 653907.646306922 574465.783469138 745271.811183802 763839.670134916 70328254.3410669 32354869.3950751 765374.682208619 724109.720577436 872664.74161402 698827.77163658 800531.003440214 777541.783984615 744936.353317236 748347.916988863 780834.420610328 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nan nan nan nan nan nan nan nan 2164254.72083747 2179223.53809287 2193896.80039591 2156777.2249795 2158233.05207173 2117396.99490338 2190021.85219045 3325951.3211317 3307459.01408517 3331822.30227025 3358809.08780095 488226.944641666 485012.046448471 478567.112952523 481981.614511225 4087524.87664821 3806558.2293648 3648987.35377068 3666556.08061424 2267164.23218346 2183661.76392549 2260506.0564251 2248591.5305424 Car(14:0) 13705240.2642728 8196737.55557784 7584446.61162669 8358591.69675164 10252676.5501013 11316470.122955 12417288.0458387 11353824.3790903 13124631.120717 13215981.737434 9705158.27164629 8914106.81207199 10188684.5933355 11226064.979973 9099268.26058928 6748864.2586952 7847934.99575388 7639406.71187304 9237638.24668914 6696319.8015843 9439938.98775961 7979618.05126449 12580200.7794395 9676090.3124342 11003210.0774951 7295555.37155529 8198176.4615882 7250207.26130796 7262023.72691384 7027738.65015826 12095005.0395034 15273690.5009431 14084594.6633437 9969487.24182035 13843537.0270658 12641650.8372887 14822721.5876994 15377006.784908 8620747.22582197 14355673.6980882 8448571.72235484 9629774.37022648 9594064.12880911 8309661.94025643 10024165.1479205 6623838.98599387 9168678.64410444 10737918.8062576 8254034.73885181 9272374.84816773 9755067.80382143 9984819.46261016 10063073.8364586 10047979.4121266 9995427.74452362 9980997.55988844 10119209.9078061 10209255.542308 10025479.7812836 3185.851483 3254.412504 2676.266787 2249.298204 6607.472408 7919.457919 nan nan 9310246.13815097 9362795.12440389 9322717.94834003 9270331.4375883 9239692.02509511 9389503.11779013 9427893.99823304 10044796.3004841 9981050.78420377 10040454.4503642 10131733.7395418 1602655.83529694 1631399.44901543 1640458.65133907 1655631.69881306 8005916.25533751 7949289.02926318 8123023.59480256 8185938.10156716 5406423.03124818 5430313.48215287 5530590.81777065 5574679.36227911 sphingosine-1P (C18) 662509.955597958 681513.696336085 714779.413130512 966469.325721915 840489.831565705 1045566.44483717 663167.773254038 631431.059518864 441581.207863328 1133890.60448352 794462.913756014 592640.400777388 1053743.68814026 728418.180452137 553531.73677653 660054.808378317 982870.892938467 640870.98960807 692017.157364361 870994.018679909 860408.129184499 1082243.30154311 785596.98828988 562976.007162003 981873.824394239 1039214.72405886 1315033.8310431 1310137.60955029 1008850.58885222 1156888.25396815 1037577.75609298 1389975.11285638 1839122.29011986 1437714.78862152 1330461.54724336 1225334.65168351 1465203.23252036 1376141.71199359 1277453.01628809 1451670.14744903 1341437.37752452 1019592.29311362 1015678.16970028 692426.878843228 1003567.58331388 562084.317268228 1005397.61216002 1032944.32132228 1004294.0149256 978942.420094205 983742.284577663 1006904.57437618 1029974.49790548 1095086.7928855 1023733.27976987 1002944.95002399 1001478.39327859 1031827.64476258 1094012.64336298 11439.06861 9903.517755 33397.98869 22537.5076 37081.40223 17896.83025 15210.43407 11410.09737 287537.463923299 311210.031647008 322474.22773743 299241.794512072 302351.994745419 279706.180821581 306793.126857312 1037209.18911888 1080600.44858104 1051658.30696018 2613578.6124266 459260.982660213 411021.487907676 482885.882693802 455734.753770717 802777.783230697 921296.553892899 845048.658953686 842815.841728862 850615.947461696 924577.225757486 789023.647205945 856726.903134942 bis(2-ethylhexyl)phthalate 1335216.4072382 630015.372545369 1494087.28162101 816844.663516925 1077526.3476551 1168989.30620093 675798.139278683 886155.86504397 39197874.9965565 821976.214750939 940797.034696421 966354.413931186 1014195.25279829 935912.210375812 1418662.84041497 1069297.53670152 1405659.67123764 927160.716278526 931320.108375566 105934241.581613 43204149.5362023 785094.745077881 686093.248679642 741270.588223803 451364.917027319 986756.317735155 924171.913237434 1148020.32569658 1020313.82011075 1077057.03364334 945435.530997187 762826.699510723 78979773.5570675 1081297.53102002 960640.896880971 913546.263767806 832528.217940412 675170.051991301 927799.400044735 37400658.2523628 1204880.91053185 832321.381091854 814831.274623877 1025824.64005385 1090648.77236424 1103388.61160416 858071.033904159 969129.071748378 950913.430946426 974119.227145476 1283462.90812445 1190314.26323631 1126765.06420526 1224502.52337768 1179240.53658347 1227145.30054095 1199927.800705 1169287.33981853 1348271.51871737 110735.602 108467.4411 594456.2893 78292.54291 150974.9291 137606.8718 66577.15055 67554.98927 1526230.56303694 1478206.15652762 1497471.99895952 1440348.06827608 1466683.13731909 1422858.05587347 1431172.85279066 1058664.29030086 1224845.31381992 1219725.21934893 1166859.44533782 306351467.607385 1530591.05581906 211191820.308922 1288436.85426808 2078349.24226366 1560691.00454933 1398874.10754121 1499384.38375385 1266754.71739949 1253272.51296907 1047912.45628137 1139863.82922913 deoxycholate 13880.5240888436 12245.0213711515 19149.4749449273 10763.7787962852 12394.8983576172 25739.2972120924 23974.3949494614 16714.4613216222 16807.0779908346 12310.3332571385 77566.1431745584 6919.57728432391 13442.8830849882 34384.1590570298 17754.5889169661 10790.7767970702 15639.2271034536 17933.9709307221 14134.121542631 30439.4127810311 19473.1952930733 17365.1084343937 16147.6491469575 11361.8041766564 5481.1136419338 71127.8778901528 10810.7994109071 13903.6377469775 18827.289341683 11573.8908979698 14031.7023630285 13272.2715949092 10852.9594353991 26363.0199064377 9838.73977127266 14677.2014754128 9865.05893026515 80573.5290985984 13059.7878775425 15459.840489978 16336.179825536 9042.21388454738 106919.820972999 108550.589272249 65714.8170987863 5884.81879984243 66418.8221584627 240123.413480506 16720.82770801 114746.767310614 23455.7910879963 29973.5450526167 28146.0952712379 31196.9932496101 26604.7809875135 33877.8623212859 37603.7116593456 26901.5640462517 34613.352724377 nan nan nan nan nan nan nan nan 40792.0694751311 35472.4178181295 41282.5894849802 43302.2845627823 38815.6406508544 44953.4037230826 36363.144906325 37240.5281316662 22157.3988708887 32859.9015514769 26430.5843110536 45561.5602970554 44061.5181544616 51733.518421745 46443.5129080579 21084.2265109924 20961.4859954262 23939.0735183235 31056.3747767012 35998.0973110592 32860.0854996483 28564.7517668836 34561.7232386302 Car(16:3) 3102972.81553326 1726503.55973323 1585051.25282979 1729856.84602445 1614513.46858877 1883927.59125832 2430939.01250635 2496107.75833382 2980714.25529745 2286607.66293133 1926249.33650829 1529518.1392363 1742121.93851952 2818537.6284395 1706201.06040999 1131057.95392656 1110659.19087437 1269756.70437943 1801230.89620075 1182214.55217936 2127105.16948839 1407339.381528 2608452.92750633 1916455.78252088 1899666.36333016 1227002.65060269 1341192.84367072 1204711.98382346 1226634.15812203 1271427.72598025 2898185.68129605 2838907.90077986 2500156.90302303 2283620.46385412 2773916.7215913 2794555.55625919 2633563.68013739 2966706.40237558 1581783.66515383 2823111.33535548 1555423.83670133 1353964.95484849 1720336.268862 1542411.89454983 1689015.43094508 1389569.78402922 1457087.02818377 1740528.61978025 1377599.71296423 1647211.33995222 1934149.33225549 1857433.20797564 1873919.33109743 1867965.86173654 1866971.50011853 1868170.62286038 1879292.63086904 1876326.38357007 1838188.20232552 nan nan nan nan nan nan nan nan 740682.365186169 733751.513343399 724563.183496596 735637.213564811 737936.430913504 728817.780870143 727955.133127659 1855083.12909547 1890683.07635484 1853311.18643743 1861665.44111479 69175.8365273369 70345.9585875218 72009.7996280221 69026.4704431675 1647784.43327823 1573239.72834662 1446998.09822531 1466420.28370459 1051745.69105797 1018557.76009168 1039624.86587696 1020351.70552512 Car(16:2) 413664.9676259 613577.977209192 258208.14359766 700557.478143052 839614.650768571 517860.336279884 339905.351312451 1082428.56731622 895366.126720569 429378.693035471 701579.883202076 526791.46930432 784004.486905142 715945.820827446 647890.254326465 321055.157584322 554593.695955571 438645.613089501 557734.256112553 413273.260973842 693869.62942036 751256.399959541 1055060.65290339 643249.742326294 880253.452539691 499932.146887321 528413.861995528 472838.832446744 504237.449291665 450507.300250377 1004383.44306529 497228.805817626 484106.306718151 821250.13384544 433058.81133004 381255.63040608 501642.379506233 475614.120241518 643509.167932967 445945.126041154 573896.327723531 669811.060013413 636316.006763357 637954.482924259 666076.441719452 375743.4775266 605394.451703655 780762.945747061 774514.942521326 598255.459644411 877609.589103207 795738.026208225 826919.79992582 801328.030844754 798264.798943806 790516.337776497 814978.520916973 804828.5655859 829679.432867162 nan nan nan nan nan nan nan nan 586206.774580784 603480.775819999 608489.478322192 593558.686976635 585916.128276891 595665.904292015 602205.044875302 808467.431184173 793146.157247425 810059.023597035 788078.643871131 612351.428642136 600240.424387318 589888.159021113 570087.992507645 1365211.81368572 1336757.33909328 1425641.03054828 1382522.62902856 722253.379417856 712139.650348923 701286.775885872 715791.75833261 Car(16:1) 6258497.97092934 3088027.59369231 2957892.73064168 3212581.52773962 4998097.11761895 5980026.05987768 4918589.75275756 4588341.56336313 5104326.93360666 5940512.38994754 3992258.60202175 4006915.48590899 4473311.58456861 4530296.36962666 3637608.10781063 2872645.89967943 3247393.55704995 3323076.69601678 3937892.63571894 3040961.77299648 3761820.56102649 3421519.92205346 4472263.95622424 3679874.78033238 4773319.22227582 3480296.63471597 3730898.70515519 3504251.32881355 3379566.47076741 2745400.99814648 4323013.46059667 6459982.95027388 5864661.33983426 3726859.16762125 5583480.17141678 4778266.96292324 6501841.13015153 6564606.72265029 3507682.89927651 5972682.62543035 3921315.99784424 4064795.77387347 4572734.39102507 3694954.96449565 4736885.06973447 3242140.84907394 4378559.93254754 5175347.67653613 4119851.99583688 4082523.29602045 4383363.6787448 4204184.4999783 4217071.5989204 4213293.87541038 4225931.32111353 4203438.04720756 4190999.47138431 4256631.26026064 4258743.30657774 nan nan nan nan nan nan nan nan 4960018.05951833 4899325.64076271 4863530.75581104 4897606.04497588 4901891.27496873 4925079.96886614 4959549.43499441 4153925.89163458 4198868.44901431 4196060.51864467 4200175.16504384 1654254.27713733 1652613.60065314 1616769.24726952 1605735.34397581 4969924.29222848 5292196.99715247 5030992.9558652 4962039.48720451 3162179.11292872 3116937.9137276 2990678.29510247 2950084.83198677 Car(16:0) 29710689.135242 21946597.7959786 19932207.7014405 24368167.4795436 25512208.7127529 29328447.4557809 29316283.2809502 27512815.3100525 30463070.3481958 30916590.4832277 24686130.735054 22638688.9269209 24124938.3810002 24706656.5224823 23407314.6353697 17611148.1350728 21712687.9843867 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821603.51259245 787388.104559145 787203.738184629 788050.26476413 834270.160847164 809484.554182085 751848.053712871 442570.736922587 428979.954362369 430251.646032891 388298.904122398 649747.303842882 648681.933241057 685409.900596328 687679.823595582 540902.741477457 469502.661979925 494785.174842675 496418.267933298 401918.191804309 426479.385770374 417657.289545986 426872.155013108 DG(32:0) 612862.139340972 595251.435245893 619409.544585651 700064.628888477 406140.053465255 560483.881198025 766262.15118869 654875.226248206 562911.572854981 875491.028315274 678232.523857968 515643.796233826 742545.212584407 807169.347776624 634827.629802836 609793.068121012 765178.292805592 427054.077030343 673299.655233735 778861.576070528 602853.319823361 462002.978697398 441523.82523756 365587.349168213 425518.210135965 388248.152758968 612957.674299287 528758.332078085 451983.381809438 578985.726687909 540999.875734642 511458.362524556 665218.440131272 628121.647095308 561447.774480144 663069.56770123 778849.486295281 690473.592188433 4998.81890423681 621367.192091934 423134.981429126 475927.547008206 682344.355073397 393518.949462058 606319.294061793 606560.715272993 506862.463795444 482651.69158327 562558.725483112 475309.396090137 728214.083793456 813187.871689502 625291.617706829 707695.155835324 687567.711083472 699711.63848386 678362.97847261 574472.418536186 869630.965045518 63721.09831 48426.83185 8410.812779 7699.15086 112895.5502 74141.48868 8760.065977 7980.920834 1048023.15147708 878214.123473015 934299.377037188 894024.983378213 949013.153017843 905748.880677467 867756.575217713 799043.361052823 681905.826311501 657854.953469951 638727.38598408 1004118.4723098 1125999.91971106 997213.887014087 1030818.51525209 779040.532521827 676782.45400435 533538.046642867 578214.959016885 10365.2091495558 670060.265085625 437693.356610646 496235.706460315 biliverdin 101442.709667485 60266.4943607077 147000.976379701 156184.706017358 127737.113678917 1659437.77310118 92361.5170003316 104032.036172485 141271.746105156 1449372.13384229 266378.984177712 79206.0494600961 182542.612066331 73078.8476549088 78649.2297055819 78094.0045961687 122412.379965965 68442.7817358465 59838.1379448172 137099.069294865 64452.8691499196 160925.718664661 98481.1659167831 44529.1445324462 117214.920215721 59641.7965457204 125533.312934393 64007.6698610493 89160.2587071938 113597.451486166 158852.126641763 218826.532033988 441401.161853065 223652.976109163 168106.769261579 129982.38319855 192693.1016882 188063.735726981 108991.885257272 104182.595258385 124592.75535213 2301672.5329156 138971.096764693 141200.533292791 153510.968810909 78822.2086462054 127752.956329179 98186.5797181144 219103.411327881 140815.460757158 196330.817633261 142281.949728991 125280.773822013 122032.816143764 123846.314407369 100708.401636399 117018.75126621 116236.700134149 116439.311008488 2666.00661 3844.386994 3972.58945 6371.069 nan 7830.664118 nan nan 41340.9837590685 50757.2085638679 37175.3828996246 44389.2972112919 42781.0235775746 48472.777366305 59093.3619473859 151227.987662324 120706.899060128 109373.2257713 131283.310548936 57541.3036431016 60993.8893717001 53289.3562485946 51469.2823312231 214060.552382153 262870.230881164 136132.373077835 154100.30064272 203756.949888772 241341.759611224 124507.31351882 130125.340311496 DG(34:2) 10553986.3719798 10176397.8882962 7870191.87454033 8862163.06321172 6916748.76776002 8057111.98618185 8330257.87954186 7890521.17048826 7920161.36809825 10096259.0133536 6867845.88981688 7313289.51448747 13288801.7184158 8718948.25799017 6992032.80015461 6431560.79415957 11800691.5485685 8110977.32426296 8413182.43301861 8965680.07927006 14959144.9962597 5548110.43833059 6062800.25450205 11368409.4734056 6552904.04718537 6745057.38923748 8153725.59732602 9137260.35384115 6959599.46664727 10206043.5226327 7256092.89454496 6077271.11968454 4683134.73565514 6514416.10559101 5439285.04639985 7724859.12993482 8013399.82497956 6256047.55421901 5110193.73092037 7419841.63149476 5136480.13648657 6383236.92282019 8495688.48422961 5441289.1326164 7153132.44632169 8675823.60808921 7156338.25604981 4995068.16351805 6031402.45644987 5093186.83749335 9030779.79286657 10447078.0535464 8628514.12212226 9674919.59890148 9260026.77524687 10343571.1693778 10008687.2398339 8794809.05051023 11697296.4356829 43731.89347 45831.56319 14012.33487 10091.13659 43865.17167 47249.60009 3291.184125 52493.42786 31131973.0838573 27463715.2794302 28145526.558469 28054513.8817678 29641723.7211442 29467120.7557865 27836835.1214469 10658020.5954433 9261973.20026756 9656390.78146141 9151958.37627652 7015325.53278503 7217686.91094248 7154604.8624352 6649041.63131351 12474115.7353114 11185184.0477886 10758956.1233848 10467252.3278099 10118134.0649458 10802775.560127 8862890.43435439 9568881.47914302 DG(34:1) 3818560.85762666 3738666.8544027 3409544.29681886 4066950.71603254 3084419.13577343 2914689.374431 3612730.21866356 3515720.9480449 153801214.862914 5055867.91979634 3432505.1988256 2990236.75111467 6689377.94313101 4037586.74872198 3186755.65405355 3213657.88440025 5302680.04299141 2865502.13889002 3499121.85380278 398908838.079314 200785464.0069 2175946.42579125 2683271.95882413 3871526.45164981 2361189.2812939 2799908.8045584 3839381.5186368 3508623.85937419 3071088.82838087 4260191.7204293 2910384.59260405 2642114.61994798 138223233.829338 2968999.6401019 2766500.08434931 3270216.78247077 3865897.91475927 3411908.02097149 2593616.01233835 150466236.204252 2175121.35852377 3386231.06490341 3841279.82171339 2408029.11563692 3488239.39436273 3366187.26501659 3259425.66354347 2123481.23854328 3227579.85385872 2689392.46281231 4337125.7053404 4594088.50682484 3709979.44943432 4150313.41621168 4053433.24719201 4133298.65270005 4291258.59603389 3520201.79395961 5093376.32440264 143068.4526 138896.1065 20090.38332 35516.14317 210881.1373 166795.089 101974.5337 25401.1278 12930907.9249216 12238985.8723672 12913712.789168 12663665.8553953 12993256.4798297 12575725.3858266 12357393.499334 4511798.53663888 3972394.58178176 3993669.05368223 4062819.65092684 1282497284.85406 6814781.46350084 1018675266.77994 6921360.51329067 4793104.11638577 4732825.66299163 4104745.47970102 4357067.61139637 4404751.23080232 4451452.43588454 3738277.51080283 4113975.21427183 DG(36:3) 13108646.8226436 14267977.2133248 8240277.88263044 9248331.97124689 6213750.87149668 7951191.3803641 9036849.66631398 7683726.4759389 9488000.23441382 6726080.17643305 6421976.88284097 6750867.67990022 10974779.7046023 8401722.40544533 8129329.61933709 6562647.77886949 12640507.8502199 7272141.29897337 11330072.192178 10797624.7584868 24406479.0099088 4873955.12719993 6735714.93933418 12561850.9788402 5659625.9314758 8597827.57023575 8093212.61527105 12845231.1096336 8571557.45211672 13739458.7349184 6384472.32327067 6160252.10775975 3863147.00564513 5130469.09734517 4625628.79975986 7804529.38438225 7827648.92681899 4667201.16961179 5091411.64166075 6988699.33142842 6411871.11416818 5006813.37446989 8121602.35055208 5800558.54748765 7116281.87740885 11578489.4960782 6608871.22997474 6468793.3211718 5465066.15838186 7403568.73571487 9243186.43486916 10790230.2316202 9287175.82205053 10489989.8654329 9956795.21618735 10478858.7613173 10603167.5973771 9221761.27787109 12296236.8652566 1103941.287 1094202.398 299112.7533 272871.4448 844202.6528 925318.0635 322652.4706 269311.0926 37893504.4479077 35384162.1563501 35271912.4057742 34905210.4791652 36966014.0643279 37170427.8515359 35378234.1356629 10953905.6941617 9952835.73900833 10097596.949696 10001448.5125276 6936904.57627015 7461289.79284959 7418247.02627346 7351047.01788747 15003997.3388643 13482790.6407977 12714347.3433596 12615217.2622751 9191955.36593628 9814543.60803583 7232058.20570047 7822140.82728624 DG(18:1_18:1) 1802842.93206317 2105147.51576615 1275998.20607853 1657659.34939413 1260055.61594713 1095088.16342127 1241223.22398917 1291738.67922461 70057264.3526768 1874407.13277263 1064481.09178849 965856.232272168 2395007.35285123 1310413.75377299 1220891.84558921 1111525.21739571 2359099.29195006 1178027.54224132 1646590.55900046 165990578.919435 144468950.676256 779776.76774125 1114403.38936385 1672837.03571449 843174.974872445 1400926.71259594 1478512.32675085 1547021.95749641 1444298.63867772 2166811.43377649 917924.051579174 954037.946818255 40119862.4667198 826284.714667995 938014.510559947 1237231.8537517 1319434.087576 1036357.13771025 909838.403789278 63856712.1964151 991961.103405027 1208977.26349233 1352534.03217928 970623.753015391 1344787.97867535 1554017.30240528 1100217.89302886 1007403.11442806 1115898.57016792 1176676.03614591 1602586.0405733 1621932.52817102 1341092.82118776 1525137.16739478 1497655.38274008 1515088.25854311 1498849.65491868 1426714.56012714 1684650.40016897 63676.75792 64749.07504 24431.03573 15402.86138 98378.09183 76786.11925 22312.88797 30582.09155 6995728.86239745 7002459.49071401 7182436.76630053 7089083.60116915 7228955.17611457 7084850.48021579 7184350.61381317 1628654.9957671 1507880.14287393 1516271.36603229 1480727.40502788 359852822.092123 1838522.83024269 293385259.625011 1857424.56638098 1661967.12824588 1742078.86649769 1560283.46933622 1648183.10137991 1207189.25581652 1224142.12282803 1103507.29224816 1177857.3679312 SM(d32:2) 113592.992250899 95959.0406877439 162859.230053687 125114.511914716 158409.793254218 221639.188030536 111845.678003944 125989.339879727 202836.785903137 280720.61061627 199670.238749569 162407.210913647 265607.020141552 216852.555872283 132237.399551733 170994.709116111 187485.266584025 218262.112814197 126657.493723677 153235.180166509 134809.033366218 144234.843019207 110238.077263057 100449.449895267 126357.178819012 123909.211763956 281710.999776637 153347.430683836 112035.529258099 177515.506024186 139108.662666854 179523.658113637 149441.732730434 128334.1547188 232438.259470236 92264.4354152849 197151.727588608 136203.812205342 112227.710666652 94905.2770624024 274916.305331734 149079.395128053 256224.833569268 151736.258343204 140629.141106045 135912.338817783 139073.332741531 118134.275971279 143292.739913628 130338.33562252 113318.099843543 189876.051248841 172662.764562635 183084.622101886 174752.687915061 174150.97208077 186254.908619521 174263.801909675 149568.355453949 nan nan nan nan nan nan nan nan 165229.49019532 202134.689391803 164599.764172191 158036.374221222 142775.323562881 155344.164696635 145014.686818933 317612.070170483 268642.883521992 174298.569550368 169884.398638203 18352.9355959465 9912.66716582197 18362.8821991001 10568.5659672984 188794.996693384 204185.822605371 120287.022461484 154007.296280102 173244.374846345 146961.907554995 127549.947714312 121279.486573369 SM(d32:1) 597221.57472193 596328.297144611 975479.641685578 807029.189270891 736825.754649979 959915.731450153 696211.579334466 707153.778782458 940885.454371352 1080494.77535024 701718.994698696 613789.108372834 867941.977308475 769500.871983585 607315.724966069 813958.234612601 786001.106007214 588918.635478927 556410.209360722 665553.517797062 701295.89347165 634952.597913202 698617.031136481 572408.177371547 667140.674151039 476485.202837503 700513.195942852 538208.775767309 546828.842676516 627601.230257855 561472.355574949 728665.223077481 1091386.70132932 623677.300306387 876719.397231548 721300.233939207 683985.545640106 751931.604807343 663486.664418874 756403.372601721 616812.610063879 628438.950436228 670424.442738587 530776.641748566 572728.067835914 580331.895112006 703276.127294356 474289.959364732 580954.19687698 602201.51594635 721787.638075151 805704.870210554 749526.21025924 794734.186687168 731372.543516876 736736.675790574 729274.998452045 737247.969762863 793468.55733556 nan nan nan nan nan nan nan nan 1097866.61353423 1303114.7863593 1035713.08383677 993227.62874615 936269.923500382 977054.810488755 924669.42126969 921153.677300186 1046846.65042594 722418.519328785 679716.893962737 171775.411758331 171702.321780893 143922.623936418 137879.751755167 829851.722231513 779958.73533211 650844.787336744 675442.299978649 903692.931073681 877933.560498222 806901.814619286 787364.644743741 PC(28:0) 10724503.7659328 10138303.8792921 15306794.018579 11371600.262021 13433650.7980387 14793642.4783865 11293352.0349989 12890494.3082313 14290737.8186216 14140963.9870108 13115818.8836042 10905099.1736413 12851367.0455323 13787110.9647765 12216493.309437 17918823.2403135 14991543.1583121 12179554.1025668 12314814.6353098 12879908.75166 12627915.6792402 12094432.7372131 10829075.0646788 9423118.01059889 11690497.347987 11268953.118689 13362559.8460666 10528554.783788 10423343.7195465 12112912.3582296 10407167.1660933 12422616.190865 15097861.1537251 10199896.8924263 13152401.0542049 14466336.9278563 11606538.6358888 11339389.853773 10565327.8860266 13226292.8853964 12497023.1870259 10780739.1275177 12493414.3859552 10884248.9143085 11764399.8565153 11005697.5390364 13000219.3817815 10085810.7368053 10928232.6866849 12571793.5248843 12089739.9244222 13386182.7735111 14274666.4642956 15072746.1126913 13536869.8161224 12981323.5022993 13188063.2700986 13438032.7674708 13064741.1094578 nan nan nan nan nan nan nan nan 17762116.3618478 19520853.1441794 18229639.4793913 17237041.5559353 17268783.4733672 17488360.1385041 17399378.4661514 15004585.4380841 15933758.8932113 13209152.5796527 13127432.9658385 987897.591712894 1179941.2942651 869247.275110269 800284.215408597 14952164.7732445 13574214.4811238 10199470.584229 10227190.7809497 13628762.6794425 12757971.7526996 11741451.4220493 11619159.9251661 SM(d34:2) 9092096.21765691 8647145.94424295 10270724.039011 9080500.69114215 10094386.2442069 10228676.6785296 9871263.90454541 10030027.9323802 10919223.3771419 11263957.1579257 10183641.3029615 9247733.3769352 7103186.38019716 10163672.9040058 9833171.76088181 11820233.8820589 10665065.293281 8940329.02280173 9258862.15931413 9077763.97103126 10319020.8979248 9227435.02079445 10226110.2186501 8356905.62929064 9585614.82907356 9040075.07321112 9675269.22479213 7757886.70840867 8397373.01547354 9221043.01935428 9459623.64028042 11305195.8965174 12882019.0764478 8668079.06277444 11762829.1638151 13289569.7184396 11009239.9674757 10776839.2729421 9077314.27930547 11599723.5424283 9525414.2197684 10182699.8814986 10130914.4994618 8855223.87747431 9703727.69463054 8945443.51273534 10394703.021254 9393608.87784145 9123468.18097376 10174700.7207505 9768134.55909963 10735581.3546687 11375779.2802898 11876887.0158306 10780020.202362 10347087.2245308 10632240.7567508 10806411.3646057 10459210.0695314 nan nan 29540.55913 11352.49345 5715.1005 3013.685708 7707.256015 5923.095842 13520151.6548032 14826820.3294056 14256473.446673 13534206.3189414 13677672.9757927 13674933.3343129 13854651.9499698 11724232.6782529 12196003.0012002 10496345.0802006 10632938.1957784 2221337.32663881 2305410.68801218 1927016.9838895 1888291.06787485 14289613.7549958 12673557.3254992 9698323.23429308 9902163.64103782 12305167.651152 11548026.4723843 10755185.6539911 10621526.0965034 PC(30:0) 13250117.7893057 13977175.6318288 14051134.3566844 16270267.4999857 12100798.5787915 14765191.5067221 14510626.7754918 15316285.4200135 14846339.8968177 15849696.7755884 16455572.7842787 13271507.4865238 11914421.6486115 14891615.5896825 13909984.3890251 13979723.1011809 15645923.9216971 13722088.3240105 14565145.6671007 15075914.3818018 12640264.823708 13028704.2158401 13475617.5701992 11840175.6733428 13729593.0129965 13478017.2234223 17160852.5998471 12493829.4176815 14590625.1484442 14556749.0951644 14234102.1827042 15520814.7493073 18301526.3509687 14957297.597001 15280626.5190208 13436719.5124326 14092555.3382494 16086971.04045 15447918.4056131 15777072.8901141 12900918.8559358 14693074.5272273 14647998.1520315 14643398.8992878 13665932.2057624 14687677.7847527 13911702.5968193 14126454.1727774 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61118.3388079085 44797.3581061027 53840.7666494568 55624.174772888 34911.6236040814 45417.2739220976 42406.4872359729 67646.7598118748 30361.8548981773 44864.6529223298 51453.9524067347 57371.6964781534 72673.4923056836 98610.767950601 60966.358589118 54966.2107812666 54534.5880465525 67485.9686891106 63838.4403978604 64730.7717943917 61133.7764938919 36443.5236314843 60966.8691674007 49400.490239049 59260.2702272038 44910.3011434513 37888.5359492711 47598.4960986363 48279.3493615119 58135.8900141859 47495.8678971693 48155.6778483121 44404.1003918439 46245.780067592 47645.7963259799 47167.7402882091 44107.9065516649 47308.8022447425 46472.5323400122 47378.0853784674 nan nan nan nan nan nan nan nan 31673.0315650834 31708.0625828514 32811.1204845629 33401.3415126571 30403.7039639219 30164.8766724381 32471.9065337365 48841.2382325717 46545.618768434 44582.9930886261 46981.8207934597 9056.39354583481 8418.31521156768 9090.80380174521 9022.23824712524 102648.951502612 81358.2577170277 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21319292.5475769 21008780.0498058 20905899.0778044 20803911.4514682 30956338.8707962 29698876.9435097 28999050.7534961 29492681.4802739 29022752.8918789 28812200.7049989 27666687.0600715 28742669.519466 40247605.4393543 37009228.8519818 33898442.8543881 35705414.4222267 33774539.7832043 33167336.9823104 35869763.7959168 34203207.914135 PC(36:4) 11639407.9775167 11876606.0354084 9744159.7975435 11987961.6314925 9135217.51294824 11179617.4146967 11137342.8022245 10513225.4985216 462982888.570994 9325101.84575412 11657780.1004721 10889411.7396216 7281878.57213983 10035704.9001603 10926991.6781548 8816781.15744176 9403379.01640079 10945823.5047458 12274661.5930556 1150986917.46247 469092110.763099 11214593.8586283 10511130.5545663 12387925.482508 10751949.8374163 11761227.4336814 13227584.7081169 10235184.6980743 12296819.2969161 11875161.4931574 12813139.2852811 13038371.4281065 634085194.534654 12821842.7043841 11956986.1086186 11405374.0456785 11495902.493307 11323350.9705458 12525106.5434048 508018197.736876 11882056.2849665 12185750.7447125 11363107.5138683 13627891.2147637 11197702.1667874 12399926.2783185 11940192.8349886 11939900.5001407 12092645.4180065 12978845.5221532 8007973.94222995 8256456.39922743 8402149.495709 8437355.77817376 8224175.68284259 8390039.84931746 8371896.45524962 8258926.28001174 8484644.40522961 135440.983 104328.767 787929.9178 417613.5114 575989.7172 290241.6341 305653.3719 203443.5567 4189745.95954896 4342058.17309447 4527213.13581212 4430237.50985695 4543791.95209015 4463512.8315145 4555360.53855348 8422028.14403724 8446126.55471598 8370645.53285424 8541558.11300717 777661495.90902 3998448.51104152 607826696.654659 4150594.0652759 12111581.2787076 12472608.5149708 13062354.3788294 13619958.1605337 12787746.3731463 13098962.8157284 14919727.3575462 14908330.061316 PC(36:3) 21780447.2514144 21839117.5757908 20990144.0410711 21064869.5020804 20994310.9318381 22920275.6134533 21778703.128094 21382125.041598 22440094.2419385 20123639.6380196 24711604.9827957 21976697.4108674 21447515.6623894 23098778.865224 23215916.0029321 23094781.3666874 24038215.8555141 23226430.4950876 21278702.1290761 23197117.7799664 21423759.5050666 23295586.6287391 21679805.571181 20872224.8677639 22633425.8620966 22441043.2753148 23426105.5055745 21713990.1716984 21027823.8366924 22911099.2717085 22730456.8570705 23015494.4420477 23822041.4345612 20805908.8919423 22440733.540592 21294998.2424971 22698006.71563 22731573.2782287 21124677.7510605 21748100.6949032 21675800.0614522 22424464.0851961 22835194.2127152 22538817.931027 23051605.6180836 22120074.3993839 21846213.7462175 22178015.221338 21717786.5220715 22609614.51854 20875052.4135682 22082832.2863638 21865836.0861023 21708806.219904 21870228.3978356 21114842.1941862 21782970.2399259 22345149.3333629 21529839.706304 26103.82888 14208.89424 295180.6317 121601.037 90511.25827 36668.74923 86017.6449 56798.7476 20311484.7655545 20114967.3350657 20190289.1574962 20731725.436503 20516780.5014151 20622827.7099005 20665979.3106433 22469678.9072769 21737059.8287828 21773659.3028796 21664947.1571572 18704065.8745109 18731472.1821752 18889528.0686919 19531987.255152 35463832.187105 29763347.5796994 26124685.1587285 26123017.8692751 28345470.3734368 26362995.0395316 26761553.7509765 26136971.7698582 SM(d40:2) 1501844.94250923 1482523.33911836 1937289.22893851 2103662.15439715 1637371.73811706 1329518.06638291 2842890.30411849 2337922.4309372 1744944.81500617 3015668.79652073 2507107.46669437 1486512.1386521 3459770.40156079 1950369.66499552 1769804.46605167 1634678.13674201 3220231.81946155 1767794.02542955 1275836.62564537 1789122.7115817 1223401.59083653 2387175.15981312 1729087.51904621 883451.201973271 1649257.37188875 1218063.86987328 2039027.00860934 1412061.02322773 1396483.35627648 1633824.23627492 2113745.66537797 1962514.23328134 3238542.63749958 2297778.36602126 2281851.0793568 1545402.50348939 2497861.91539017 2608388.03292061 1986252.95033454 1777712.78057251 1117801.71304692 1832350.5021682 1412692.98210296 1975541.21268904 1339366.98977949 1039268.38094887 1285187.76470717 1427590.46130727 1957094.01555431 1148225.83627193 1931109.23552468 2148578.43937375 2139387.71434911 2049727.12829833 1984746.8059616 2153912.55945426 2596321.7379747 2754751.41764747 1902588.62426659 nan nan nan nan nan nan nan nan 2826178.24291389 2882204.30033377 2880205.09742303 2899424.08859624 2934892.10086578 3098596.52766943 3239265.85470218 2176538.22019288 2014931.41167916 2239594.26271229 2878915.1984111 457974.981118762 457802.595510356 434008.799974379 409876.428795134 2235582.15952242 1930499.73281812 1707286.80872926 1627426.88748955 1815913.38920023 1739179.73148603 1550201.01134793 1488579.90734851 PC(36:2) 27988754.8885414 27000943.5782398 27309894.0503406 29478865.2943942 27701344.5846701 30609218.0649403 30951675.0569417 29323654.6612929 29902117.8995887 30920073.1257042 31385664.2243261 26053015.6063714 28869243.2587442 27549343.8467042 28475833.0851329 25122054.7137025 30177713.7424574 25046167.2471818 25564152.3331308 26896627.7435848 26522803.0281889 30829744.1320442 28736130.3370245 24646908.3810414 29749099.2837681 25780374.7902188 30188955.3621285 25308789.2312965 26301808.2837925 27443272.0401671 29356463.0807479 31709156.7369148 36351297.2885053 27545264.4515686 30710673.6923667 26755446.1054166 30190208.4390871 31734289.7219431 26647971.8513344 29356610.2561755 25923757.4306057 29461831.8637795 27551059.0103954 28715749.8744872 27686652.587963 24523231.952233 26941343.9750379 28077805.8406256 28423233.294754 27872848.8179653 25420990.6445252 27980267.8792088 27843589.7778655 27179764.1491418 27155874.5491937 27197085.2988838 27441541.9702954 27764691.3501189 26505975.6701149 66097.14085 16807.2294 242604.7131 100639.2869 390404.1938 86024.64143 87624.65881 72704.02081 25811337.8336031 25732491.403287 25882635.5264197 26417221.4560129 26000348.2980353 25989224.3163018 26118307.2223871 28225127.6349431 27535530.0259339 27302574.9230433 27779754.7224463 21325122.9583687 20938667.6531281 20534464.0795225 21236628.6990268 34094205.8380501 30473893.4635653 28513134.2304313 28749234.5044445 28708977.8649318 27849765.6713014 28869992.801021 28021113.674855 SM(d40:1) 3720706.5915667 3374492.97196576 3821493.33207568 7152500.30378698 3459517.1062328 3694365.09360059 6536243.84194828 6564381.05046569 3451175.95653036 6903474.65315578 7714681.72600939 3767377.00952024 7516193.73053299 4207456.41172502 3749101.81163807 2564001.14178473 6044178.49602027 2796582.23426303 3480878.8890744 4125383.33451942 3087317.4161346 4041027.36364091 3370407.67242372 1677930.42935651 2610783.88712448 1949807.52514271 3977343.90144202 2784669.23585125 2709541.47040182 3543968.32696465 4615676.51865076 3376434.68803948 13693337.4032562 3937972.64348736 4309644.93517161 4114403.1157275 4241473.75890158 6002419.75749257 3201213.72400967 3962335.21881155 1858642.59758518 2746979.88209397 2912519.8454175 2941771.32235447 2565970.61447389 2455281.12172547 2259458.6109084 2011729.20886312 3941528.59626613 2747049.52356245 3996856.34947533 5233745.82001904 5264244.20221663 5357888.45355699 5356092.21433211 5361060.66689432 5885484.98249541 4523980.38640127 5628303.7671842 nan nan nan nan nan nan nan nan 5113622.58752674 5580485.89641169 4908290.37640347 5439976.69699957 5882945.63458026 5414359.9302103 4882279.80753569 5165599.53457419 5378768.44109408 5328352.86697934 5706295.00274348 331974.930323989 210813.952108457 373475.772259862 544406.1165648 3489186.18084184 3555624.00540647 2492654.9044287 2351139.01324312 2812343.59344405 2630151.24934395 3760938.19288432 3499071.45387645 PC(38:6) 3919042.92108364 2795888.77443196 2581959.54109054 3502895.35752332 2577547.26852484 3130143.57490286 3950716.18948314 4243811.10561298 4831430.84769112 3819959.80653587 5355514.05477782 4205231.52638644 3289053.22619094 4360932.9920387 4047450.19703026 2839726.48461343 3700471.51011255 3972824.66218185 4679654.27459976 3361425.20901738 3912767.94619609 3680420.78317052 4111225.74495708 4093228.36460084 4198182.09789664 4171235.4011279 4959118.6137596 3477893.29648317 3977169.62505321 4290728.56419265 4738681.47231361 4488054.17356261 5584178.01139582 4326286.54053841 5074708.67456828 4277299.86364907 4538635.44269084 5445802.65483255 3925327.82896686 4306232.70994319 4213109.91116582 4395828.25282321 3877876.98655955 4785854.88916312 3787697.882353 3577500.28192199 4126189.03838628 4277395.63026668 4444140.17284963 4543340.18067858 3395042.06479277 3848505.66785636 3744123.55121916 3770072.7631381 3660588.93644584 3672119.19459036 3719923.93680671 3766744.28916123 3763809.93418146 46980.1848 36281.29815 189011.4094 91967.20333 137505.7477 280782.7164 68886.51684 40796.73532 2412170.53331925 2417819.73507814 2505380.21844388 2488105.15489322 2454186.56828876 2521858.85563761 2561825.40352319 3884817.50751519 3804750.90050986 3691260.34865263 3750269.41240621 11064266.2792445 11200892.3729031 10840894.7061904 11627829.9185963 4572064.35038923 4081240.88224346 3929315.04005281 4042476.56045538 3666663.37903389 3544428.26930704 3981480.55636312 3904581.83078482 SM(d42:2) 7732709.70553525 7451777.88357321 9582840.03557216 12540977.0462709 8359075.58512181 8332205.40814609 12251900.335776 12163593.6412274 8300026.69077262 13039957.5769292 14336846.1398018 7865503.07161502 14707109.3433683 9959474.668511 8348198.76039727 8192098.95340022 13067331.1432466 6902898.50396823 7312931.06112426 9379355.90285441 6302415.97602237 9298301.60698169 8265301.80547372 4390032.39485931 6839809.37410779 5544786.51619578 9738074.86192775 6513494.51784494 6367407.34164513 7963940.24458361 9671785.89995072 8288953.29665888 17570845.9936843 8828320.05654395 9823694.63392847 8524882.75075975 9995336.52999391 12235851.6911557 7750906.65233244 9337214.68084664 5486520.96533999 8419522.49829697 7405436.13609408 7129201.10484014 6511366.42339111 5800236.02035292 6911472.60315704 6599688.32365951 9265724.12811317 6688223.98571941 8278043.66635156 10260870.6637785 9722439.22897059 9779377.03387799 9738827.50936495 9796403.87961144 10113316.0151237 10143254.3272551 10267495.5237863 nan nan 7877.131497 7507.845011 nan 5782.482649 3220.743331 6143.991656 14759035.5656448 14611270.4304174 14518629.5013918 14769195.7989168 14685191.8468039 15156261.7743153 14990820.098835 10287055.6712289 9864032.78074628 9954468.31004464 10238909.5065606 1352732.24731084 1411097.13453034 2074929.26161109 1997469.52874357 8919782.37910932 8410817.54529728 7212246.72677818 6870812.98172959 7988827.04636673 7636319.63914443 9603531.25317034 9097798.81622374 PC(40:8) 1827270.22600767 1623907.62176884 1383031.66794767 2073701.9903109 1239145.81173816 1895417.72557861 2079953.55170567 1911195.13726945 2059443.74398934 1718037.97758198 2003176.32115845 1762951.20992903 1149864.44509249 1649064.43004428 1666898.74990253 1177246.22397526 1504284.15097832 1552764.86322905 1874106.36753971 1587984.97791763 1718914.57842177 1726175.24343179 1744150.07508066 1752557.21265898 1675797.72701002 1572868.93877847 2035425.68142446 1480339.05685608 1883205.48737691 1742873.82555716 2048718.08079122 2280339.04072259 2638463.08682078 1960168.12590377 2174475.26351595 1763861.27133373 2082051.38941028 2171726.99920874 1842692.69921055 1907509.50002222 1866803.1003425 1892751.54875825 1854791.40715596 2363360.77384638 1666571.09380457 1753826.46827662 1889416.66986089 1854800.68257772 2186360.65174023 2100420.61361148 1392536.76578968 1412103.17581572 1342001.7542839 1345556.00038797 1280152.72493597 1391873.65460885 1410818.64088069 1304516.77673226 1540983.72661845 20808.9151 15877.40309 80163.14275 46747.00203 58372.69311 40537.29218 39779.10607 30619.38572 753559.177676998 740559.057225316 756923.602060717 762353.775911635 775190.551672068 788848.873731117 816374.101542139 1437181.13687062 1387505.82057831 1293879.23936896 1410834.43752202 970903.357788461 969981.071813369 1062249.90949519 1136415.52883036 2303523.11450136 2052208.94819018 2124235.10685049 2227171.38482779 1794936.02987826 1774201.0566457 2338261.42548163 2256775.20077128 PC(40:6) 3299774.07250667 2516744.47049535 2627707.90927436 3348729.66212399 2810170.74397333 2995405.20308262 3336345.65900293 3660692.89192934 4055000.07110832 4130065.79037158 5389848.20451252 4977469.70461943 4958996.88294945 5221442.97306453 4627711.32811912 3622936.40210786 4787239.96895375 4241609.05402006 4564178.19053192 3993394.49664159 3280381.29970082 3781644.3785934 3989662.18996562 3915828.30264155 3940222.16678867 5029099.08675664 5472071.20964731 4094244.28537046 4534431.37862957 4562684.32501162 3731603.76828485 3461561.16780377 4311088.90146093 3489033.18847795 4482603.96721036 3884535.50857593 3630081.47213016 5118387.81012917 3390310.28583133 3803298.51388973 4013539.50835875 4754786.75967737 4633752.77070484 4726913.05673338 4349561.5102618 4180299.93850852 4622269.28367998 5009771.87338453 5668387.72357245 4688537.72618641 4200993.71495993 4505158.914231 4428096.68473439 4392330.16433192 4400560.17382616 4369040.98361289 4435983.52601935 4499751.32346506 4284852.60353889 17579.86056 17763.46046 37084.66694 19837.38782 25847.04633 22480.38407 12598.20894 13792.33345 5628848.52536243 5624935.98547606 5594862.04356193 5766343.45414515 5646153.22079721 5609216.9655107 5662244.5607235 4538421.17970369 4421337.35771645 4445810.47815172 4485574.65923229 12811530.4753564 13796941.614219 13232964.3265621 13535494.9135123 3745966.93902337 3276568.88252661 3027820.85651925 3044009.25973414 3347523.87702738 3228645.72229713 3337863.79505296 3214358.98516086 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt alanine C3 H7 N O2 90.056776 89.0495 Alanine 0.69 2-piperidinone C5 H9 N O 100.074976 99.0677 2-Piperidinone 3.05 aminobutyrate C4 H9 N O2 104.072676 103.0654 Aminobutyric acid 0.72 choline C5 H13 N O 104.107376 103.1001 Choline 0.79 2-acetylpyrrolidine C6 H11 N O 114.091776 113.0845 2-Acetylpyrrolidine 4.17 proline C5 H9 N O2 116.072376 115.0651 Proline 0.71 valine C5 H11 N O2 118.086676 117.0794 Valine 0.78 niacinamide C6 H6 N2 O 123.055976 122.0487 Niacinamide 1.37 creatine C4 H9 N3 O2 132.076976 131.0697 Creatine 0.7 Isoleucine C6 H13 N O2 132.102176 131.0949 Isoleucine 1.85 leucine+ isoleucine C6 H13 N O2 132.102176 131.0949 Leucine/Isoleucine 1.97 leucine C6 H13 N O2 132.102276 131.095 Leucine 1.97 hypoxanthine C5 H4 N4 O 137.046576 136.0393 Hypoxanthine 1.34 spermidine C7 H19 N3 146.165276 145.158 Spermidine 0.5 glutamine C5 H10 N2 O3 147.076676 146.0694 Glutamine 0.62 lysine C6 H14 N2 O2 147.112776 146.1055 Lysine 0.52 methionine C5 H11 N O2 S 150.057076 149.0498 Methionine 1.14 guanine C5 H5 N5 O 152.057076 151.0498 Guanine 1.27 carnitine C7 H15 N O3 162.110276 161.103 Carnitine 0.79 2-deoxyglucose C6 H12 O5 165.075876 164.0686 2-Deoxy-glucose 0.72 phenylalanine C9 H11 N O2 166.081976 165.0747 Phenylalanine 2.94 urate C5 H4 N4 O3 169.035976 168.0287 Uric acid 1.26 pyridoxamine C8 H12 N2 O2 169.094776 168.0875 Pyridoxamine 0.54 N-acetylleucine C8 H15 N O3 174.114976 173.1077 N-Acetylleucine 5.34 indoleacetate C10 H9 N O2 176.070576 175.0633 Indoleacetic acid 5.94 serotonin C10 H12 N2 O 177.102176 176.0949 Serotonin 2.38 hippurate C9 H9 N O3 180.065776 179.0585 Hippuric acid 4.35 glucose C6 H12 O6 181.071076 180.0638 Glucose 0.65 phosphoserine C3 H8 N O6 P 186.014976 185.0077 Phosphoserine 0.65 3-indolepropionate C11 H11 N O2 190.086376 189.0791 3-Indolepropionic acid 6.68 citrate C6 H8 O7 193.035176 192.0279 Citric acid 1.25 3-hydroxyphenyl-valerate C11 H14 O3 195.101676 194.0944 3-Hydroxyphenyl valeric acid 9.2 spermine C10 H26 N4 203.223176 202.2159 Spermine 0.5 Car(2:0) C9 H17 N O4 204.123976 203.1167 CAR(2:0) 1.1 tryptophan C11 H12 N2 O2 205.097676 204.0904 Tryptophan 3.62 indole-3-lactate C11 H11 N O3 206.081376 205.0741 Indolelactic acid 5.5 kynurenine C10 H12 N2 O3 209.092276 208.085 Kynurenine 2.7 FA(12:0-NH2) C12 H25 N O2 216.195776 215.1885 Aminododecanoic acid 8.05 Car(3:0) C10 H19 N O4 218.139476 217.1322 CAR(3:0) 2.23 N-acetylserotonin C12 H14 N2 O2 219.113476 218.1062 N-Acetylserotonin 4.66 Ser-Leu C9 H18 N2 O4 219.132576 218.1253 Ser-Leu 3 pantothenate C9 H17 N O5 220.118176 219.1109 Pantothenic acid 3.44 diethylphthalate C12 H14 O4 223.095076 222.0878 Diethyl phthalate 8.13 Ile-Pro C11 H20 N2 O3 229.153176 228.1459 Ile-Pro 1.76 Leu-Pro C11 H20 N2 O3 229.154776 228.1475 Leu-Pro 2.1 Ile-Val C11 H22 N2 O3 231.170176 230.1629 Ile-Val 3.69 Car(3:0, 2-CH3) C11 H21 N O4 232.154976 231.1477 CAR(4:0)_rp_a 3.06 Car(4:0) C11 H21 N O4 232.155276 231.148 CAR(4:0)_rp_b 3.14 cytidine C9 H13 N3 O5 244.092976 243.0857 Cytidine 1 Car(5:1) C12 H21 N O4 244.154576 243.1473 CAR(5:1) 3.71 N-undecanoylglycine C13 H25 N O3 244.190776 243.1835 N-Undecanoylglycine 8.44 Leu-Ile C12 H24 N2 O3 245.186076 244.1788 Leu-Ile 4.65 Car(4:0,3-CH3) C12 H23 N O4 246.170776 245.1635 CAR(5:0)_rp_a 3.91 Car(5:0) C12 H23 N O4 246.170776 245.1635 CAR(5:0)_rp_b 3.98 Car(5:0) isomers C12 H23 N O4 246.170776 245.1635 CAR(5:0) 3.98 Car(4:0-OH) C11 H21 N O5 248.147476 247.1402 CAR(4:0(OH)) 1.86 FA(16:1) C16 H30 O2 255.232076 254.2248 Palmitoleic acid 11.1 sn-glycero-3-phosphocholine C8 H20 N O6 P 258.110976 257.1037 sn-Glycero-3-phosphocholine 0.63 Car(6:0) C13 H25 N O4 260.186576 259.1793 CAR(6:0) 5.03 gamma-glutamylisoleucine C11 H20 N2 O5 261.144276 260.137 gamma-Glutamylisoleucine 4.02 gamma-glutamylleucine C11 H20 N2 O5 261.144676 260.1374 gamma-Glutamylleucine 4.18 Car(5:0-OH) C12 H23 N O5 262.165476 261.1582 CAR(5:0(OH)) 2.56 Pro-Phe C14 H18 N2 O3 263.141276 262.134 Pro-Phe 4.61 deoxyguanosine C10 H13 N5 O4 268.104976 267.0977 Deoxyguanosine 2.43 sphinganine (C16) C16 H35 N O2 274.275076 273.2678 C16 Sphinganine 8.45 monoethylhexyl phthalate C16 H22 O4 279.159776 278.1525 Monoethylhexyl phthalic acid 10.22 FA(18:2) C18 H32 O2 281.245776 280.2385 Octadecadienoic acid 11.5 1-methyladenosine C11 H15 N5 O4 282.119876 281.1126 1-Methyladenosine 3.23 oleamide C18 H35 N O 282.278676 281.2714 Oleamide 11.39 FA(18:1) C18 H34 O2 283.263476 282.2562 Oleic acid 11.62 Car(8:1) C15 H27 N O4 286.201376 285.1941 CAR(8:1) 6.05 Car(8:0) C15 H29 N O4 288.217476 287.2102 CAR(8:0) 6.75 edetate C10 H16 N2 O8 293.105876 292.0986 Edetic acid 0.71 Glu-Phe C14 H18 N2 O5 295.128776 294.1215 Glu-Phe 4.38 5'-methylthioadenosine C11 H15 N5 O3 S 298.097476 297.0902 5'-Methylthioadenosine 3.97 sphingosine (C18) C18 H37 N O2 300.290676 299.2834 Sphingosine 9.57 Car(9:0) C16 H31 N O4 302.232476 301.2252 CAR(9:0) 7.24 sphinganine (C18) C18 H39 N O2 302.306176 301.2989 Sphinganine 9.71 MG(14:0) C17 H34 O4 303.252676 302.2454 MG(14:0) 10.99 Car(8:0-OH) C15 H29 N O5 304.211976 303.2047 CAR(8:0(OH)) 5.63 gamma-glutamyltyrosine C14 H18 N2 O6 311.124176 310.1169 gamma-Glutamyltyrosine 3.14 benzylbutylphthalate C19 H20 O4 313.144076 312.1368 Benzyl butyl phthalate 10.23 Phe-Phe C18 H20 N2 O3 313.155076 312.1478 Phe-Phe 5.53 Car(10:1) C17 H31 N O4 314.232876 313.2256 CAR(10:1) 7.51 Car(10:0) C17 H33 N O4 316.248776 315.2415 CAR(10:0) 7.96 Car(11:0) C18 H35 N O4 330.263976 329.2567 CAR(11:0) 8.42 MG(16:0) C19 H38 O4 331.285276 330.278 MG(16:0) 11.39 Car(10:0-OH) C17 H33 N O5 332.243276 331.236 CAR(10:0(OH)) 7.18 Car(12:1) C19 H35 N O4 342.263876 341.2566 CAR(12:1) 8.42 Car(12:0) C19 H37 N O4 344.280276 343.273 CAR(12:0) 8.82 Phe-Trp C20 H21 N3 O3 352.165476 351.1582 Phe-Trp 5.46 MG(18:1)_b C21 H40 O4 357.300776 356.2935 MG(18:1)_rp_b 11.48 MG(18:1)_a_b C21 H40 O4 357.300876 356.2936 MG(18:1) 11.48 cortisol C21 H30 O5 363.216276 362.209 Cortisol 7.88 GMP C10 H14 N5 O8 P 364.065376 363.0581 GMP 1.27 Car(14:2) C21 H37 N O4 368.279476 367.2722 CAR(14:2) 8.89 cholesterol C27 H44 369.351976 368.3447 Cholesterol 13.52 Car(14:1) C21 H39 N O4 370.295576 369.2883 CAR(14:1) 9.15 Car(14:0) C21 H41 N O4 372.311776 371.3045 CAR(14:0) 9.45 sphingosine-1P (C18) C18 H38 N O5 P 380.256576 379.2493 Sphingosine 1-phosphate 10.67 bis(2-ethylhexyl)phthalate C24 H38 O4 391.285076 390.2778 bis(2-Ethylhexyl)phthalic acid 11.9 deoxycholate C24 H40 O4 393.301676 392.2944 Deoxycholic acid 10.61 Car(16:3) C23 H39 N O4 394.295576 393.2883 CAR(16:3) 9.16 Car(16:2) C23 H41 N O4 396.311276 395.304 CAR(16:2) 9.34 Car(16:1) C23 H43 N O4 398.327476 397.3202 CAR(16:1) 9.64 Car(16:0) C23 H45 N O4 400.343376 399.3361 CAR(16:0) 9.94 Car(18:2) C25 H45 N O4 424.343576 423.3363 CAR(18:2) 9.81 Car(18:1) C25 H47 N O4 426.358876 425.3516 CAR(18:1) 10.06 Car(18:0) C25 H49 N O4 428.374676 427.3674 CAR(18:0) 10.32 alpha-tocopherol C29 H50 O2 431.388376 430.3811 alpha-Tocopherol 13.39 Car(20:0) C27 H53 N O4 456.405276 455.398 CAR(20:0) 10.61 glycocholate C26 H43 N O6 466.317676 465.3104 Glycocholic acid 9.56 LPC(14:0) C22 H46 N O7 P 468.309276 467.302 LPC(14:0) 10.56 LPE(18:2)_b C23 H44 N O7 P 478.293376 477.2861 LPE(18:2)_rp_b 10.82 LPC(15:0) C23 H48 N O7 P 482.324376 481.3171 LPC(15:0) 10.83 LPE(18:0)_b C23 H48 N O7 P 482.324776 481.3175 LPE(18:0)_rp_b 11.45 LPC(16:1)_a_b C24 H48 N O7 P 494.325376 493.3181 LPC(16:1) 10.75 LPC(16:0)_a_b C24 H50 N O7 P 496.340976 495.3337 LPC(16:0) 11.04 LPC(16:0)_b C24 H50 N O7 P 496.341176 495.3339 LPC(16:0)_rp_b 11.04 LPC(17:0)_a_b C25 H52 N O7 P 510.356576 509.3493 LPC(17:0) 11.25 LPC(18:2)_a_b C26 H50 N O7 P 520.340976 519.3337 LPC(18:2) 10.9 LPC(18:2)_b C26 H50 N O7 P 520.341076 519.3338 LPC(18:2)_rp_b 10.9 LPC(18:1)_b C26 H52 N O7 P 522.356876 521.3496 LPC(18:1)_rp_b 11.16 LPC(20:4)_a_b C28 H50 N O7 P 544.341076 543.3338 LPC(20:4) 10.91 LPC(20:4)_b C28 H50 N O7 P 544.341176 543.3339 LPC(20:4)_rp_b 10.91 LPC(20:3)_a_b C28 H52 N O7 P 546.354576 545.3473 LPC(20:3) 11.46 LPC(20:3)_b C28 H52 N O7 P 546.354576 545.3473 LPC(20:3)_rp_b 11.46 LPC(20:0) C28 H58 N O7 P 552.403176 551.3959 LPC(20:0) 11.74 DG(32:1) C35 H66 O5 567.498276 566.491 DG(32:1) 14.33 DG(32:0) C35 H68 O5 569.513976 568.5067 DG(32:0) 15.14 biliverdin C33 H34 N4 O6 583.254776 582.2475 Biliverdin 9.32 DG(34:2) C37 H68 O5 593.515376 592.5081 DG(34:2) 14.63 DG(34:1) C37 H70 O5 595.530476 594.5232 DG(34:1) 15.38 DG(36:3) C39 H70 O5 619.531076 618.5238 DG(36:3) 14.85 DG(18:1_18:1) C39 H72 O5 621.545876 620.5386 DG(18:1_18:1) 15.62 SM(d32:2) C37 H73 N2 O6 P 673.526576 672.5193 SM(d32:2) 12.17 SM(d32:1) C37 H75 N2 O6 P 675.543276 674.536 SM(d32:1) 12.43 PC(28:0) C36 H72 N O8 P 678.508276 677.501 PC(28:0) 12.49 SM(d34:2) C39 H77 N2 O6 P 701.560676 700.5534 SM(d34:2) 12.53 PC(30:0) C38 H76 N O8 P 706.539876 705.5326 PC(30:0) 12.92 SM(d35:1) C40 H81 N2 O6 P 717.589376 716.5821 SM(d35:1) 13.12 SM(d36:2) C41 H81 N2 O6 P 729.590576 728.5833 SM(d36:2) 13 PC(32:2) C40 H76 N O8 P 730.539876 729.5326 PC(32:2) 12.74 SM(d36:1) C41 H83 N2 O6 P 731.606876 730.5996 SM(d36:1) 13.4 PC(32:1) C40 H78 N O8 P 732.555676 731.5484 PC(32:1) 13.02 PC(32:0) C40 H80 N O8 P 734.571376 733.5641 PC(32:0) 13.51 PC(33:2) C41 H78 N O8 P 744.553476 743.5462 PC(33:2) 12.96 PC(34:4) C42 H76 N O8 P 754.539176 753.5319 PC(34:4) 12.68 PC(34:3) C42 H78 N O8 P 756.555076 755.5478 PC(34:3) 12.96 PC(34:2) C42 H80 N O8 P 758.571276 757.564 PC(34:2) 13.24 SM(d38:1) C43 H87 N2 O6 P 759.637176 758.6299 SM(d38:1) 14.14 PC(34:1) C42 H82 N O8 P 760.586776 759.5795 PC(34:1) 13.64 PC(36:4) C44 H80 N O8 P 782.571176 781.5639 PC(36:4) 13.14 PC(36:3) C44 H82 N O8 P 784.586876 783.5796 PC(36:3) 13.35 SM(d40:2) C45 H89 N2 O6 P 785.652576 784.6453 SM(d40:2) 14.25 PC(36:2) C44 H84 N O8 P 786.602476 785.5952 PC(36:2) 13.88 SM(d40:1) C45 H91 N2 O6 P 787.669176 786.6619 SM(d40:1) 15.11 PC(38:6) C46 H80 N O8 P 806.571076 805.5638 PC(38:6) 13.11 SM(d42:2) C47 H93 N2 O6 P 813.685276 812.678 SM(d42:2) 15.22 PC(40:8) C48 H80 N O8 P 830.568576 829.5613 PC(40:8) 13.28 PC(40:6) C48 H84 N O8 P 834.602576 833.5953 PC(40:6) 13.72 METABOLITES_END #END