#METABOLOMICS WORKBENCH efahy_20230425_000080 DATATRACK_ID:3977 STUDY_ID:ST002658 ANALYSIS_ID:AN004330 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 Kidney ST:STUDY_TITLE Powder - Untargeted Reversed-Phase Positive ST:STUDY_SUMMARY The goal of the endurance exercise training study in young adult rats (internal ST:STUDY_SUMMARY code: PASS1B-06) was to perform exercise training studies in adult (6 month) ST:STUDY_SUMMARY F344 rats, and from these rats collect as many tissues as feasible in order to ST:STUDY_SUMMARY provide high quality samples for detailed analysis by chemical analysis sites. ST:STUDY_SUMMARY Tissues were collected from 10-12 rats sedentary control rats concurrent with ST:STUDY_SUMMARY the collection of the 8-week training groups. The 8-week training group and ST:STUDY_SUMMARY controls were from the same cohort and same age at euthanasia (either 8). For ST:STUDY_SUMMARY the older age group, an additional set of controls (n=5-6) were collected with ST:STUDY_SUMMARY the 1-2 week training group. Rats were either sedentary or underwent an exercise ST:STUDY_SUMMARY training program. Rats were exercised on the rodent treadmill 5 days per week ST:STUDY_SUMMARY using a progressive training protocol designed to exercise the rats at ST:STUDY_SUMMARY approximately 70% of VO2max as outlined in the Table on the next page. Training ST:STUDY_SUMMARY was performed no earlier than 10:00 am and no later than 5:00 pm over 5 ST:STUDY_SUMMARY consecutive days per week. Training was initiated with the treadmill set at 70% ST:STUDY_SUMMARY of VO2 max (see tables) and 5 degrees grade for 20 minutes. The duration of ST:STUDY_SUMMARY exercise was increased by one minute each day until day 31 of training (start of ST:STUDY_SUMMARY week 7), when a duration of 50 min was reached. Speed and grade of each training ST:STUDY_SUMMARY session increased in larger increments due to treadmill parameters. The highest ST:STUDY_SUMMARY intensity and duration of training began on day 31. This intensity was ST:STUDY_SUMMARY maintained for the final 10 days of the protocol to ensure steady state had been ST:STUDY_SUMMARY achieved. If any rats were unable to perform at least 4 days of training per ST:STUDY_SUMMARY week they were removed from the study and euthanized. It is important to note ST:STUDY_SUMMARY that the starting treadmill speed varied depending on the sex and age of the ST:STUDY_SUMMARY rat. The initial and maximum speeds were based on VO2max measurements obtained ST:STUDY_SUMMARY during the pre-training testing of the compliant rats. Rats assigned to the ST:STUDY_SUMMARY control group followed a schedule similar to the training group. They were ST:STUDY_SUMMARY placed in one lane on the treadmill for 15 minutes/day, 5 days per week. The ST:STUDY_SUMMARY treadmill was set at 0 m/min at an incline that corresponded to the incline ST:STUDY_SUMMARY being used by the training group. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Burant ST:FIRST_NAME Charles ST:ADDRESS 6120 Brehm Tower,1000 Wall St., Ann Arbor, MI, 48105-5714 ST:EMAIL burantc@med.umich.edu ST:PHONE (734) 232-0842 ST:SUBMIT_DATE 2019-09-19 ST:NUM_GROUPS 65 ST:TOTAL_SUBJECTS 50 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - CS00000MP-01 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191031-EX00979-A003-IN0028-CS00000MP-01-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-02 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- raw_file=20191031-EX00979-A003-IN0028-CS00000MP-02-P.zip SUBJECT_SAMPLE_FACTORS - CS00000MP-03 Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- 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raw_file=20191031-EX00979-A003-IN0028-S00042229-90587015906-P.zip #COLLECTION CO:SAMPLE_TYPE Kidney #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_pos_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 ST002658_AN004330_results.txt UNITS:peak area #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples CS00000SB-01 CS00000SB-02 CS00000MP-01 CS00000SB-03 CS00000SB-04 CS00000PB-01 CS00000PB-02 CSMR80018-01 CSMR80018-02 CSMR80019-01 CSMR80019-02 CS0UMRG01-01 CS0UMRG01-02 CS0000OP0-01 CS00000MP-02 CS000QCMP-01 90225015906 90237015906 90266015906 90281015906 90239015906 90564015906 90232015906 90421015906 90265015906 CS0000OP0-02 CS00000MP-03 90422015906 90223015906 90218015906 90259015906 90252015906 90559015906 90587015906 90581015906 90258015906 CS0000OP0-03 CS00000MP-04 CS000QCMP-02 90426015906 90441015906 90560015906 90280015906 90439015906 90217015906 90416015906 90412015906 90430015906 CS0000OP0-04 CS00000MP-05 90251015906 90450015906 90423015906 90227015906 90289015906 90254015906 90410015906 90222015906 90248015906 CS0000OP0-05 CS00000MP-06 CS000QCMP-03 90283015906 90449015906 90267015906 90585015906 90229015906 90576015906 90567015906 90571015906 90578015906 CS0000OP0-06 CS00000MP-07 90245015906 90292015906 90406015906 90444015906 90420015906 CS0000OP0-07 CS000QCMP-04 CS00000MP-08 CS00000PB-03 CS00000PB-04 CS00000SB-05 CS00000SB-06 CSMR80018-03 CSMR80018-04 CSMR80019-03 CSMR80019-04 CS0UMRG01-03 CS0UMRG01-04 CS00000MP-09 2-piperidinone nan nan 131071.5035 128249 23923 62349 43141 154069.6391 14369.33972 22896.27385 18028.15142 20331.97591 30709.49632 17790.82153 11314.47453 18278.28656 6900.025921 154805.5038 148114.2251 10264.28817 15705.68299 123576.0757 5067.701341 11048.50829 11468.36707 28968.39286 16417.36297 6858.852224 7846.82817 2966.585275 8754.831524 6746.127664 5546.730136 11828.73958 5779.848427 5719.419369 25883.74092 13887.3663 168881.8716 9621.646582 14956.64226 145730.2431 14933.34554 10056.24897 9988.551339 181647.2794 11436.32537 6541.94761 25553.56077 13326.89905 6017.527673 151552.0652 14558.99343 81846.5292 17085.75723 8765.137703 152428.6313 171079.5625 14176.73647 17886.82631 14487.0362 15039.08337 155862.1588 10971.36802 172045.6297 9914.673914 8912.040908 9750.965442 156652.6389 10828.23992 18383.51739 17424.21496 196472.2445 7417.301004 9434.005117 165782.823 10856.94879 19026.72815 24219.41575 13136.17808 175393.8029 37947 68357 11474 156278 27751.34888 30920.71694 52914.71525 59040.08166 40451.0762 23864.13698 19504.57051 aminobutyrate 545 908 35968.15384 159 540 4678 5706 28313.47135 29706.03307 30575.48965 25071.50495 6714.160464 4380.915202 47416.90255 38072.9062 37998.26074 31271.43535 32479.82923 47634.10968 36605.44502 31045.91536 52833.13566 39478.12061 37012.7482 39493.03015 67870.56215 37542.19583 35666.89232 34447.05554 35494.11265 44968.01496 47307.85078 49684.28671 43081.05663 58489.80663 50078.2599 62368.96855 39458.41115 44482.24184 41431.13137 64620.87431 51463.22514 32038.35201 46089.40046 61084.56276 46375.88673 40608.10239 48655.85667 57423.9532 43661.86784 53982.29264 31726.17778 41258.2465 35862.1344 35211.19451 45386.21374 54058.08441 45112.69321 41261.58654 58058.50713 40580.87925 32145.18121 36702.17346 48799.65747 53845.43661 42085.11755 41135.16308 58136.58765 51793.35475 59815.51429 46061.71767 63950.77258 37616.75755 49057.03725 39481.05918 48587.52833 42575.9865 50980.13123 53725.13831 41993.3641 42881.93722 4836 4840 620 756 31312.75776 28832.6516 32589.23225 38336.79625 12655.94333 13331.37274 40527.36 dimethylglycine nan nan 183209.9224 nan nan 10713 10365 123848.4782 140079.8755 97882.91636 91970.31719 nan nan 117512.5756 139931.9329 122189.1479 91864.70445 187708.6927 177986.0361 210251.7134 145697.3458 106239.8114 139002.7376 154113.159 158784.1423 172009.5948 175795.0185 333009.5144 172058.2413 123850.9485 218992.4259 74128.94629 159741.4832 277575.0026 282493.7083 328463.1626 91297.80799 154539.6452 122294.4853 223191.7032 337988.9968 121860.8616 276257.7506 369829.8841 206474.488 248528.9125 191933.5945 235935.1094 216892.9135 213633.0056 282567.4536 310902.3476 170653.918 89875.67413 167189.7367 251335.9744 131466.2667 317450.0441 159588.3607 119948.9357 61626.12578 122633.2788 210357.918 154413.4502 153038.3538 332198.1662 219202.897 280148.8834 269903.2422 270779.0625 71694.81749 376840.9218 229901.902 255542.1543 197476.4032 159330.8365 384335.2543 314992.3103 381306.8708 150564.8543 266150.8838 6742 8086 nan nan 119356.1307 139640.8964 139545.6439 165909.083 nan nan 141976.3658 choline 8861 25795 4283770.797 27541 22528 23672 23515 3444075.66 3425017.788 3584396.874 3533561.435 388183.8771 402468.671 4831846.791 4391064.918 4307653.783 4111344.215 3888296.367 4824941.29 3895720.658 3935776.614 4540561.164 4969108.123 4224996.248 5248436.595 4959536.829 4404420.395 4535583.583 4253501.907 4247211.123 4897765.298 5266673.058 5245761.939 4326233.154 4310403.49 4972821.268 4924815.586 4399701.747 4420983.213 4013850.87 5349657.244 7456196.985 4161413.348 4129638.593 5447189.939 4728041.019 4829654.443 4346447.953 4790911.008 4376840.054 5260298.608 4688757.875 3993422.315 4659879.201 4427883.939 4964695.38 6500968.348 4703020.329 4814146.062 4767304.752 4453968.821 4376369.932 4380089.865 4565000.727 4429168.206 4789323.73 4690187.536 4848563.016 4382415.827 4750762.37 4919997.845 4744376.438 4336634.453 4981525.105 4059532.342 4879407.728 4232489.274 5076472.301 4828003.511 4494060.444 4430296.308 25303 27952 32029 22131 3498166.408 3514208.393 3661846.103 3589753.038 416676.4569 435249.7188 4498655.27 uracil nan nan 1320547.664 nan nan nan nan 1877647.929 1902893.349 1959143.071 1907316.025 17438.55192 39222.52376 1527604.162 1308586.91 1267237.965 1581676.678 1430092.97 1075244.918 1581842.108 1574500.684 841995.3368 2047551.07 1745233.663 1152994.323 1540323.814 1328257.065 1713121.671 1726175.016 1429272.953 1070969.663 1298317.944 940870.6667 847063.6552 918213.3902 1132473.499 1556082.429 1338276.439 1364640.246 1432003.927 2369081.56 1269355.875 1741652.185 1504799.95 1933285.882 1221494.447 1093415.441 1542316.677 1497708.492 1354325.944 1513915.282 1853107.694 1572243.643 1591075.307 1953446.896 1354861.27 1208546.52 1599291.937 1158002.377 1507649.835 1366969.331 1329482.201 1931175.999 1680451.928 1030148.568 959870.218 2071723.839 1072852.19 712934.1044 943224.5477 941324.6105 1510773.8 1328290.566 1220165.556 1566631.835 959034.1083 1917703.53 1193676.937 1506752.54 1357272.338 1389562.987 nan nan nan nan 2058959.246 2000009.868 1924918.909 1841855.271 39583.29335 38901.51737 1397581.917 proline nan nan 1118707.335 nan nan 29514 27240 1679210.997 1618567.792 1237770.113 1237269.576 485393.7116 568988.6046 250576.2843 1200756.528 724121.4771 1639637.677 1328614.034 1406559.095 1438733.03 1349424.039 735539.9108 1582069.176 1551493.973 1641864.618 230667.822 1116919.83 1129032.408 1458308.624 1115959.664 1306151.558 1007716.299 828779.4658 1001248.801 761983.2981 1460187.332 326225.9658 282084.841 1219126.65 1304402.031 1581136.109 702037.1316 1189378.833 1223023.618 1912255.814 823439.3219 1187378.089 1400901.168 335097.2556 1307289.931 647453.1804 1283285.698 1461903.108 1628707.318 1640109.913 1224113.607 711366.2464 1187549.433 780989.4733 365201.0379 798866.9329 1221531.116 1062233.063 1413694.344 1121610.963 1081130.832 1176485.759 1104529.723 897830.2757 870347.2802 973879.124 360380.0115 1373653.115 1273199.143 1797360.46 1354605.419 1737942.326 1628034.823 397868.3866 1437188.067 1047411.074 21822 21510 nan nan 1434507.052 1373815.618 1495947.368 1511028.315 701641.2853 631677.1296 1014423.068 valine 6782 nan 836352.3325 nan nan 47118 nan 3572368.442 3527334.254 4562850.028 4237495.694 916786.0851 1146462.287 7246986.329 762545.0831 4133268.494 1657474.387 247359.5082 5645482.286 1530334.923 2439248.596 4035411.606 6008412.458 856040.9088 7528743.091 9986960.072 1001585.245 681060.7044 3743192.409 6377917.695 945565.1485 2716580.715 5281817.64 2092263.129 4734864.108 400014.342 9537085.54 3727555.462 536938.9778 3678791.581 568235.7602 9528448.957 5019705.051 2808940.202 1707141.081 2453718.801 355692.2124 521102.671 2805335.945 4059915.994 416125.2843 467453.5955 4719673.813 783193.6891 1530392.757 717225.681 1623083.311 667974.3683 1510787.155 8117937.47 849526.2657 674511.4731 4729654.347 3254716.118 1883541.287 3213222.154 1332720.526 5286084.691 463418.4921 1042263.123 3571826.735 5521385.485 1008083.998 6214622.04 5188677.031 2099529.472 3530737.754 7157355.308 7965789.236 3258402.706 3917091.607 nan 30371 nan nan 573099.5154 750414.7101 780696.5057 327768.8509 1209708.008 204592.8876 773957.9419 niacinamide 5115 6681 3899380.271 10834 7515 10469 11359 3606674.109 3577333.941 2699042.369 2666609.136 3745831.867 3789510.273 9952039.248 3902470.258 3964616.189 3060551.904 2752800.605 3319908.403 2762203.789 3098616.214 2886857.104 3883589.164 3132018.162 3086654.757 10149961.96 4083101.977 3170696.351 3991016.689 3483593.214 2668153.985 3251788.812 3706970.715 3033065.299 3182134.522 3477582.874 10004458.93 4087029.168 4122660.043 3155826.525 4962445.911 8440121.284 2736006.061 3095889.046 3967110.169 3049246.731 2896122.653 3926509.128 9722498.216 4092964.73 3256796.861 4003952.788 3532767.3 3305652.322 4550004.815 4383504.875 6140953.938 2749693.597 2612830.358 9503332.485 4042637.036 4086601.544 3977205.213 3717923.489 3043161.744 2615648.723 3917743.029 2568049.593 2833353.844 2593895.769 3396727.416 9511062.037 4002936.105 4042219.506 2685086.606 2931846.259 3142649.759 3585610.269 9347133.108 3927176.938 4172549.973 10396 11169 9345 6593 3711246.324 3729537.475 2805065.027 2777464.744 3819383.892 3661374.264 4285643.207 pyroglutamate 962 329 763681.1196 301 619 4203 4618 497394.0782 417710.7442 382886.4428 363792.8258 26087.15883 49051.94529 2202108.398 774851.7096 822047.6358 584833.2871 595264.0553 700306.4977 467812.4869 610889.0819 448635.4421 729830.2584 472624.0515 643617.3718 2117336.707 788404.4981 408406.9119 809561.0059 708713.0144 609260.9197 544947.8445 592301.1812 444407.5551 471550.9421 678843.102 2070090.363 781571.8479 778041.6661 449827.4808 833473.9659 1909768.909 407856.2592 532148.8557 500155.2248 668314.6556 566536.6156 571486.4544 2086167.707 784381.4077 603707.6564 851864.7902 430963.071 674332.0511 849222.7209 651447.8555 1126130.559 457623.5285 709113.2156 2066746.36 755411.1701 735310.295 718446.3646 686268.9436 730393.6756 582986.4678 618443.2769 518547.3818 631694.9282 517529.635 591681.0254 1980071.546 799734.6734 997252.4272 496187.1848 648261.9773 527639.4626 714151.1594 1998138.371 817582.7073 776534.4438 14499 10649 609 1332 341868.0508 324350.6844 289967.0621 300838.5468 53398.62699 38787.33671 820218.8937 creatine nan nan 4752125.688 5071 3436 85804 83989 3733908.904 3918800.918 3191102.097 3146675.953 19367039.19 18944750.44 4140475.07 4842082.526 4565774.68 3017610.243 2380043.019 2840959.25 2962729.481 2779363.033 2971010.534 3164379.371 2808366.009 2845586.576 4176901.978 4755761.731 2969548.244 2626241.311 2430918.031 2888400.239 2964520.637 2742265.982 4623736.283 3425274.829 2916749.797 4222811.194 4833875.871 4715492.472 3215139.507 3839092.605 2459440.581 3606696.642 2740226.085 2914143.565 3735935.201 2794372.579 2648206.289 4076495.012 4689910.458 3218129.236 2846946.677 2548475.897 2465065.633 2823319.554 3074459.85 3830889.512 2874622.716 2603708.865 4071019.465 4734354.858 4684641.806 3188587.561 2712711.89 2970769.544 3815120.935 2853592.479 3453396.309 2154833.364 2941041.949 2691025.822 4038570.688 4743031.996 2802632.04 2405083.08 3265876.875 2809134.335 2946841.128 4190751.464 4631505.115 4794271.554 67892 71768 8699 6632 3788150.598 3531822.304 2987202.672 2956659.696 19343750.41 19565838.47 4507329.603 Isoleucine 296 558 307751.5109 756 296 2314 1757 317893.3142 315920.5951 293079.4967 291791.2409 128864.663 120105.7507 322704.136 340016.0177 323350.1663 361310.4453 301802.8787 395372.0373 315842.5523 312339.5669 368243.2982 367390.0559 320518.1997 270615.9161 317777.3854 326933.9607 328039.8821 315802.5946 305137.587 291734.2163 367236.6778 284102.9514 353942.5881 322262.6711 373048.7149 308292.3113 313359.4288 310864.5542 340070.0251 488522.0536 257621.6485 337110.3713 309878.4552 354176.0607 320439.828 280536.6922 330186.5658 320944.3767 332559.1123 355670.9086 322751.2699 309861.4637 403351.8583 369643.1901 341038.9961 338938.1354 374133.6244 301690.9688 321000.3425 363516.8323 334562.0694 308598.4282 328240.8745 354183.6337 321461.3892 326492.1381 294455.3951 304038.7562 280668.9334 306679.4014 324612.6501 326823.5874 334006.6549 338354.2825 316225.1888 310541.7669 314403.3798 322004.2906 325952.6813 317486.419 1138 714 407 758 345481.9729 307057.1395 308116.2509 300548.1296 128876.1174 128454.3315 343328.7724 leucine+ isoleucine nan nan 354966.9056 nan nan nan nan 372111.5854 374313.9971 356528.4294 359646.8075 183059.1408 179936.3507 297228.6549 364437.8631 350427.9893 374981.9317 327397.0334 365014.3037 372574.8064 379954.5906 314262.8688 413024.1275 336543.0938 315551.6657 280786.0838 333053.8584 340385.2694 337080.1459 309309.44 303174.6621 366356.0326 280576.4428 313776.0957 272467.3154 352346.5468 279969.3811 335897.0036 325515.2824 324507.1691 508680.2602 256520.3467 795360.7824 306293.397 432546.6741 306438.8864 286459.2261 317341.1776 275463.4456 345098.3908 387231.9567 360401.8299 323774.3707 442448.8576 419421.1589 347540.4962 328196.9474 404564.2977 289794.7642 292964.7094 374056.0929 351558.8291 366675.4873 367756.3971 315851.2842 269334.9351 379921.003 295989.8053 245155.5741 247693.0321 263920.7056 267820.9586 344405.6275 312836.2541 316285.9264 293330.4453 346063.0339 643909.723 286677.8067 321177.1724 340261.1909 nan nan nan nan 389503.5644 344218.026 572287.6962 321473.4038 151256.1088 156261.7657 339300.6991 leucine 1095 1913 632056.4485 1926 908 4151 3873 622949.8524 630964.9273 558823.634 556025.7858 242750.8469 241971.0515 761733.0858 688392.024 640310.0668 754498.7082 612520.9574 796412.8445 629191.8713 650410.7743 698167.7887 751007.0247 680136.8927 570210.3386 752310.0743 669050.2608 704082.8802 634324.8485 601178.6029 597722.3823 731248.6585 579078.28 723125.962 622505.1153 748752.3125 763059.5408 645628.3915 639146.4604 692668.4533 1012305.644 568959.6886 742833.0538 661754.7339 777883.5197 647844.0065 612519.4386 631702.6053 797477.1555 673678.9586 718986.5114 645265.6946 622179.8995 820640.0899 719432.7562 713656.0728 709370.2497 747561.1482 606449.7628 742588.2047 714659.6041 679446.1626 673870.4776 691854.535 696318.8186 667695.0911 705485.7151 605279.349 649720.1212 574594.6467 643716.3213 825858.9361 666139.8541 743449.5032 685196.363 636307.0174 688985.7 655459.2548 780747.6251 649837.913 658979.7426 2622 2478 1757 1123 602152.1152 595018.6264 559172.1773 531019.8323 238328.3259 231129.8525 659641.2822 Ornithine 7558 4552 246300.0967 4504 4334 7864 7640 206047.8446 207822.878 182793.1398 184340.2409 1033776.704 983283.9426 209122.196 252901.0993 229085.5728 169915.3309 134233.4655 162819.5402 166839.2985 155931.9601 163080.8096 174763.9315 157487.9344 159836.6795 215344.4645 249407.9694 164750.1066 151799.9407 137169.7549 161257.542 171272.3779 155547.4174 244452.9279 187123.525 162656.5174 214971.8464 249087.2443 248049.9444 176797.7007 219786.6736 140389.1577 200300.1345 154388.0429 167542.6943 196808.485 155052.3197 146460.8784 207269.9118 251892.3866 171823.5491 165478.6125 145314.5079 147681.9992 161873.3262 173276.2858 202922.5306 161079.6623 148479.362 204180.1107 247867.9538 239816.3267 171013.2373 159024.4575 168856.1774 214263.5916 161393.8265 207585.1692 133544.3783 171169.2267 164725.4867 208959.2486 247963.412 171072.635 141649.9223 183728.8807 166357.2117 167198.9944 210368.6402 242581.5045 245810.3889 4331 5207 2676 2101 220874.1987 207201.4636 189313.6397 187046.876 944146.5254 950115.6797 231363.9405 hypoxanthine nan nan 27599792.26 nan nan 8541 4717 35852746 35370157.99 32135888.33 31280787.59 10007824.88 9958774.49 26766660.65 27109059.29 26762511.75 24306821.02 22484076.45 30239128.41 24428569.74 23581202.62 21747282.23 33413165.48 27789951.24 35011355.08 28405420.33 28868712.49 32287410.96 27695516.76 24935680.23 24717341.93 38165341.26 27800980.66 24615872.43 21123021.79 27522892.04 27622398 27554853.71 27195636.85 23183225.98 33272434.69 31412800.82 27695349.53 21951406.7 46368773.58 27392477.81 25644333.45 26923861.23 26804926.04 26786346.64 35057138.66 25057994.67 26149342.15 33012840.25 26669759.91 28732918.75 29142906.09 30858795.22 24911941.74 26287741 26851767.27 26618291.03 27850782.21 25530192.13 26425175.46 21828853.29 34342562.39 33196109.17 18254059.94 23372333.02 27030944.77 26697216.36 26818234.96 31283283.85 23287413.63 21094993.14 28622546.02 33489483.55 26913714.82 27269064.05 26722871.96 nan nan nan nan 35746606 35724732.35 31173932.2 30784695.1 10041972.75 10468489.69 27175839.09 urocanate nan nan 98059.18768 nan nan nan nan 127650.4331 132515.1258 123248.7949 113142.0156 26585.72195 28025.97257 85644.357 98468.74088 88848.09615 80396.54168 64337.27982 96586.10654 81372.98979 93083.58028 66987.3861 108149.2658 97269.82618 103602.7848 96525.63367 91901.74001 97630.86741 104901.8154 77421.66103 66520.52983 113870.8557 94140.90991 91423.67001 74635.38963 78229.20623 96286.91778 103709.2496 104903.6433 81537.36714 124567.8332 108674.0213 81462.52975 74658.27948 178223.5692 79653.24965 80814.68175 98012.09649 99496.91275 94259.72388 105429.5185 85997.74977 86288.30046 106291.5838 93873.28515 96813.59865 83378.92248 122192.7904 76652.64 102428.0877 97515.73642 91978.35843 99752.66388 75568.38209 85262.88349 73314.48257 110717.8362 105006.0103 66019.4506 83450.20568 81742.17104 126617.9682 105334.1487 100613.8174 81489.98895 73339.07773 104205.686 100837.6062 87927.11735 99836.12492 90879.96154 nan nan nan nan 155621.2489 151749.2931 116762.5451 140440.9061 31484.97991 33212.88855 101772.5126 spermidine nan nan 51636.08676 nan nan nan nan 120724.656 117255.8597 111869.5201 119002.5207 49323.83905 50966.02661 45039.38995 53751.1355 54118.69862 161989.1413 188737.7186 181793.2406 131283.0704 214617.1055 71283.03275 270485.7309 163089.7897 155818.1625 48096.13023 52353.71574 203859.5057 225398.2142 199910.5416 157503.543 154681.6813 147120.2063 130423.3848 127226.2292 102608.3284 47248.32678 51864.37263 50980.79212 130945.717 289713.017 90733.02963 174881.6103 152870.3935 302641.9747 149234.0794 154303.2942 147553.932 46259.94258 48712.2781 193770.6926 232283.4424 161353.9712 211526.0081 253311.4127 192951.3692 215052.8435 266740.1156 159832.8455 42381.39634 49654.22169 48003.4517 168143.3674 190437.3866 133584.3416 144437.053 216312.9329 93448.8994 105056.1342 140391.9224 95827.55784 39808.70154 49263.45983 199926.9926 176109.147 156364.6669 182584.6247 80443.79739 40519.44733 48255.19662 51433.49189 nan nan nan nan 96685.00284 96757.62577 98588.34488 100343.5559 43901.46569 46729.99646 50148.32731 adipate 12784 2506 1423148.957 3007 2476 2310937 2333262 1398685.822 1399724.44 1457037.801 1431901.525 1324921.757 1322679.34 1133274.58 1397624.425 1410966.335 1412887.37 1467516.066 1378113.931 1450674.409 1473404.749 1353899.596 1371339.276 1452757.419 1457773.702 1145729.644 1452122.687 1458143.825 1506485.596 1502147.283 1489753.151 1423015.92 1459180.849 1391252.268 1390136.495 1460998.396 1109475.594 1452243.252 1502236.163 1510067.894 1391603.16 1462110.789 1439664.125 1554624.013 1482709.757 1445840.725 1497776.409 1438995.563 1114926.516 1439945.551 1418136.26 1386020.827 1382639.495 1388098.151 1424581.557 1422232.864 1441550.363 1437496.281 1399519.702 1072967.566 1360580.106 1363380.029 1389649.028 1403090.122 1365029.293 1387484.204 1382518.166 1313260.286 1359820.476 1406341.935 1417144.505 1090330.131 1413448.882 1385130.384 1452128.732 1456887.13 1434249.561 1395124.047 1101566.759 1394649.179 1385949.241 2063424 2092089 4487 2189 1408315.982 1419704.955 1462216.154 1457383.604 1406347.56 1350451.191 1440698.013 glutamine nan nan 116439.0266 nan nan nan nan 57125.13191 89291.93236 38993.61429 37959.33305 76172.92023 78533.74546 30368.8982 123415.4929 40161.80442 42186.95347 53163.52645 42835.08859 41193.73689 55698.9395 38447.21974 45128.85405 44997.5147 44041.973 27897.19067 36141.38251 47490.12287 48440.52217 46679.34576 34097.28168 30173.40689 35652.89666 37400.36149 38794.31033 82744.97319 30124.28324 129391.4759 146288.6343 47591.87956 34254.02248 43225.11483 47142.19935 52693.0133 53129.31282 38159.35061 35381.7009 44743.60997 30861.84628 30989.77047 34785.26519 44499.65654 31158.55239 29340.03921 49275.18818 35068.51994 33574.73249 30506.17775 53438.45895 29424.07434 136446.8933 143522.2523 129518.4726 31012.02608 34842.55168 223897.6188 41121.67754 32023.16621 31391.39653 36365.73964 87245.56779 16362.50107 28285.10618 47879.23399 45162.40293 43118.6899 32584.25057 33537.61116 25138.71793 139229.887 141423.7298 nan nan nan nan 112553.6095 105094.5546 25199.13431 29724.58288 74348.35196 53552.56721 156886.5937 lysine 479 208 13938.62626 175 395 710 755 13721.82889 14225.14607 12305.94669 13892.81238 18687.80488 17661.18225 13286.03316 14041.34608 14866.19554 19327.21323 17481.90366 16904.44054 20372.3319 16548.69823 13759.47613 18081.63125 19740.5259 14901.99648 14446.44031 14658.72503 19107.07811 21277.7694 16792.77987 11732.54507 17155.12 16891.48627 13894.5382 14547.09196 13475.05773 15156.33713 15341.55556 14092.62307 14626.87394 23203.03112 16588.0964 17053.07352 17715.23087 22321.10957 13205.73086 12963.57858 17660.08304 13997.84898 15277.71925 14011.64116 18837.87665 21004.2203 17173.73974 19956.74253 14221.75144 15764.93209 17679.3788 12676.34682 15000.83917 13485.95691 14904.90641 18439.27892 14497.06605 12947.86284 14465.91465 23122.22292 17788.48455 14875.80344 17470.62259 12859.69739 12447.34769 13600.15762 17418.72871 16227.00929 14040.97067 18203.67585 13468.76066 13200.96751 15416.02209 13894.25338 210 863 558 448 13173.33024 15104.86378 10685.52226 12187.31168 18153.70435 18700.5342 15369.04522 N-acetylserine 438 971 169124.9346 2650 851 2041 1287 176087.1139 140502.6651 95090.58298 92762.4686 33043.12835 24534.58654 148718.2079 197518.0313 217743.2218 92973.08832 130649.8988 86055.02018 101785.8049 105132.8313 69268.04496 110839.6279 86022.85439 84746.01598 130536.4206 181595.1477 93034.45592 75880.92669 61523.21005 99572.14703 103835.8938 71339.54843 86712.7723 115214.7742 105312.4829 119083.0456 185430.4582 179708.3369 83113.25446 135402.1363 164831.9266 103504.8327 70302.67014 88481.62665 138218.8643 87366.67909 65540.78694 111965.401 178781.9864 109532.7559 122852.7329 60105.97735 98856.32571 96905.64064 82085.11269 193939.1162 104241.1092 146316.3203 108052.6534 179628.3724 185757.7414 116673.9172 78413.25115 68529.92222 280969.2498 72347.76917 95623.39766 83887.25895 78847.2829 86755.29915 112776.3246 190066.0253 110165.2241 77796.62901 123424.215 79497.65879 112451.4897 105480.6002 188562.2473 188949.3443 2962 3144 2193 1812 109285.8734 108930.2961 61084.44953 68444.16944 26699.30856 27955.97064 192497.1448 methionine nan nan 279751.8088 nan nan nan nan 237963.8616 258380.7902 311552.8772 251243.4669 45891.19264 47599.14679 167829.2514 262036.1828 256529.1506 190011.962 181995.295 286545.5685 182605.1691 182988.3108 281929.9382 160408.7141 185207.054 641923.1932 164941.7029 267947.5457 162089.1483 187582.99 176838.4631 319768.186 246299.7445 240626.3834 294525.8687 332610.6114 245179.9083 215908.5607 257098.1893 258258.7511 206866.4671 285824.2313 299953.5435 171172.2704 155022.471 265150.0715 360270.9084 265465.5902 210383.7281 217656.0737 260256.873 209422.475 193834.0501 186740.4127 219132.4146 225346.1415 256575.8842 321727.6513 189959.6384 236856.1617 134140.2469 264173.148 275072.3619 159716.6698 224297.658 336696.8411 327700.9562 171298.4049 441790.9089 356612.3917 347160.4735 317762.8607 192917.1895 246297.9514 312965.804 85295.01121 314121.0409 283516.7091 413816.8975 169236.3436 235989.0049 283503.2487 nan nan nan nan 250278.1743 249881.4205 280086.8818 287507.354 42001.20487 39852.78601 267875.3191 guanine 2947 4536 2081254.922 8260 5843 4342 5721 3311228.694 3007127.174 2515443.005 2491957.418 55114.79085 53714.6697 2078494.557 2212114.679 2227082.196 1414312.418 1573277.793 2276050.484 1499641.636 1789951.064 2336821.64 1731594.711 2191893.991 2151318.578 1984478.741 2088713.129 2299599.817 2049086.022 1732764.457 1862659.417 2099213.371 2152578.972 2325285.531 2309680.5 1830846.657 1997142.672 2167707.63 2154150.537 1982949.474 2776656.907 3340747.949 1931246.89 2206328.357 1948456.39 1983879.94 1999699.239 2352030.476 2058299.715 2184848.032 2094726.572 2089533.653 2035237.001 1555245.787 2022197.596 1569996.311 2415242.38 1310046.718 1477629.429 2032668.014 2042614.178 2171483.913 1591722.175 2062393.884 1713908.965 2144883.33 1854351.507 2477276.973 1987670.195 2269595.437 2370801.038 2044097.034 2083624.905 2222248.154 1692178.512 1810570.686 2325593.499 2280737.41 2050518.295 2205045.058 2190492.436 8576 9362 7694 6312 2757423.891 2553586.805 2324231.24 2313795.141 58816.17877 54486.92687 2147503.9 FA(8:0, 2-NH2) 2709 257 19579.30283 114 359 442 496 22773.40478 26112.41312 16720.84217 18178.1106 258.331404 232.5211006 18190.61084 15171.85979 16908.70467 12034.97851 18206.3144 23694.0933 18482.35173 23224.44961 13361.45536 10089.63334 23807.77777 19962.3707 12314.23302 21247.98543 23482.18577 18020.87761 15311.61672 18305.23346 28273.61427 15557.9904 19572.9091 17432.96595 20836.06891 15598.12579 20827.32169 24025.28162 23067.96959 30872.78958 17347.86641 17243.8404 15932.13748 21150.29091 22807.04442 18666.02768 20059.35291 15030.14823 22105.3954 17200.64203 17232.79869 14877.28549 21936.62386 20027.56429 15046.23503 14821.58366 17141.85923 18062.72833 17759.85576 14868.26766 13818.05326 21532.35141 22030.09968 18810.31798 11589.06095 26900.14197 18509.64504 9443.137029 15929.54779 15052.32693 29283.22914 17033.87491 22660.49696 18332.64491 11975.16619 29942.54632 14873.35716 19976.93267 23276.58569 17242.48251 354 239 nan 213 21074.61875 20619.18559 16260.70652 29018.18514 202.1529946 242.9426717 23207.70853 S-allylcysteine nan nan 2253651.938 nan nan nan nan 3873257.367 3748259.012 1680808.423 1680280.085 33524.01304 42926.24257 nan 2175481.198 2132918.874 15445849.45 9010416.565 14942688.45 13954693.9 11789006.52 7959228.783 13586758.3 7327879.888 17648109.56 nan 1995092.519 7682040.103 12465360.43 12539661.68 13404182.75 14371866.98 6991358.079 8808324.248 6966412.943 15549942.15 nan 2027184.654 2104703.419 7824999.478 11629860.05 17246694.84 8668923.306 7259033.161 13474613.25 11780552.41 10340879.35 7920415.295 nan 1945823.864 15497206.57 7881457.911 8944000.823 11004219.26 10780461.02 12836908.41 15255735.56 11341767.89 15901492.54 nan 2028134.478 1884645.676 8897692.44 6907567.567 9794149.855 5743015.405 8788016.968 10376334.95 8489501.673 8448633.778 7797556.808 nan 2022131.224 12315149.44 12102101.08 9693039.462 7276720.287 11369355.26 nan 1964014.858 2303516.078 nan nan nan nan 2363099.61 2507388.376 1117851.651 1163087.949 31806.46711 29535.24508 2250529.523 carnitine 1988 5947 5254974.143 9629 10078 21561 22042 5627415.661 5610871.576 6637105.939 6647929.897 6727398.26 6863420.334 3986055.923 5314849.46 5184540.342 7748836.397 7094788.13 4440648.659 6635608.199 7039059.543 3864049.603 6502804.72 6842233.373 4665759.543 4054847.263 5410420.936 7488473.407 7499199.335 5736621.048 4462637.737 3398539.887 4061971.365 4418280.287 4356060.406 4682047.949 4067312.801 5326693.577 5354110.553 7443878.902 7657290.749 4253168.238 7639342.402 6602634.137 7216588.925 4757526.223 4352132.262 6998971.542 3950561.644 5311609.711 4047181.834 7189645.199 5725200.239 6327840.202 7158043.616 4463924.547 4442274.623 5830930.124 4238413.919 3951368.992 5334005.355 5281442.468 6429734.416 6283857.597 4393676.26 4676608.492 6228090.375 3957862.823 3903901.495 4246020.449 4191286.173 3987705.842 5315358.982 4673690.53 7254437.761 4936366.493 7345976.685 4423732.557 4073228.222 5460004.294 5356164.035 23114 26611 29799 23544 5809938.207 5724751.192 6748067.032 6665544.734 6576217.358 6770123.514 5401564.206 urate nan nan 1069350.131 nan nan nan nan 1695442.419 1697222.905 763315.578 761580.4477 168631.8523 179833.3187 974436.3231 1078913.693 1053588.209 889013.9185 758857.1988 1278525.381 851384.7631 764961.0284 1274360.957 1017324.276 1012323.8 1256967.314 978227.0749 1072164.91 1012115.222 874663.2145 1048682.952 1128617.367 1039014.546 1369223.193 1157184.695 1149521.623 1268160.933 978491.451 1036225.096 1050953.78 832819.374 1216584.261 1185461.465 895488.6711 1238398.411 1161925.171 991202.3973 1241971.199 972494.5355 973844.5786 1066575.991 919683.5567 980845.2268 914938.8301 1511501.238 934169.1923 1024992.784 1223074.961 1214252.655 1004296.514 939358.328 1071440.22 1072823.484 1175006.733 992086.8829 1210746.915 1420557.181 909102.3672 948526.5304 1386913.417 1141734.47 1282708.759 936450.1532 1005597.232 1121231.167 736903.5565 1009315.148 1177050.709 1232979.065 940499.7496 1053877.593 1020165.564 nan nan nan nan 1693584.998 1702925.501 731311.8003 731689.3192 158425.0473 168578.7912 1044753.391 pyridoxamine nan nan 35614.68779 nan nan 5419 4957 31297.62381 36575.64756 34089.53213 33027.9945 4948.183643 17259.5547 34972.55019 32753.9403 30851.41841 32494.48708 27641.35271 33558.07377 36680.94053 30148.51023 23609.29825 29522.32771 30642.72212 34173.84021 37640.71137 30864.66936 31879.5488 36709.61464 33633.09841 23703.63448 31010.672 30933.24358 27030.99237 26979.6544 26199.53975 40150.80203 33550.37141 31027.98845 30571.44229 45170.85045 25965.29041 32098.27175 38404.83536 42623.12678 20799.80344 21820.24963 40084.65952 37612.50262 33327.19986 24650.88898 35203.43291 32903.7336 37207.88394 33620.6993 24830.52766 23569.59106 32897.57874 23030.32064 33163.79324 34259.55572 33683.73102 35805.46877 30314.39606 22499.2463 25354.42149 37370.61556 41103.18971 33509.46295 33292.32966 32113.06545 34065.70257 30179.9441 28739.1992 30931.81385 19782.93852 41745.01466 27972.85753 37569.04461 33525.76806 33771.43862 nan 6194 nan nan 35558.70087 33215.5286 32652.7116 40431.60493 14529.00733 15049.65992 35290.0238 N-acetylleucine 5754 485 41141.94192 519 107 7671 8242 32078.24241 30397.45569 31907.40294 32402.35097 5915.816489 8759.51105 38251.98131 41638.41408 43327.14287 31474.3583 33827.98731 18059.75908 40685.79241 43648.45119 16164.09243 51442.79309 47067.15765 15716.88091 43095.86092 44664.05018 62988.71759 32724.58551 27136.50649 15113.64169 18922.71423 17030.53224 15412.54665 13715.77026 17425.02139 40969.0933 44257.41941 46474.40275 59547.94109 49796.49994 53396.2421 42617.44585 31793.13376 58995.60457 19238.14298 11937.33748 32924.26045 38495.07679 46934.24172 12816.45074 41928.31633 30542.78963 62195.16345 41416.32042 18938.86277 44064.31176 49989.09264 16365.8925 37193.68467 44178.56567 45995.96708 34018.25681 34795.48498 17905.49856 19023.26182 22891.55222 15515.83128 23433.90455 18607.82426 18125.75657 40494.50008 42585.49708 16516.90304 40269.24649 17069.98668 62053.27755 18947.22299 37239.35936 45977.24102 45248.43844 8605 9228 503 471 32911.33881 33207.22899 33261.6617 36871.1819 6169.676314 7850.797784 50534.13495 suberate 8411 nan 125514.4864 nan nan 10954 15920 250710.6214 251618.3165 159454.9802 169546.4447 15733.49716 12172.10887 114294.5875 126125.7454 116835.8286 266696.4567 151165.5591 24175.0303 221629.1055 155594.7975 28304.20346 282692.3523 361156.9313 12268.11396 124922.5534 122643.4105 322874.8869 270282.0428 315562.8084 24630.25188 30250.69265 30607.91134 11345.46968 32784.91496 21186.23506 123542.982 123721.2849 127546.9767 383859.9386 366573.9821 24664.26623 202073.2875 254144.6756 93257.31971 19632.93641 21469.61598 13260.60812 121724.3391 112577.5782 13535.54346 305261.4607 213519.2529 189749.5675 11617.21653 29961.93997 30511.18989 279024.5182 24292.79132 118597.0914 133655.6583 119413.1976 213218.7506 258912.4938 31156.85392 20762.9852 221555.9818 27819.28591 30910.10503 25770.24341 22762.97122 121373.5562 116467.7072 23995.3488 201393.6442 17538.10782 289516.8798 14730.76188 116520.068 129553.4334 129399.6027 13793 8742 nan nan 236580.7569 243842.5596 166678.008 162261.2483 17667.10231 11337.30869 116159.6729 indoleacetate nan nan 104404.0447 nan nan nan nan 96868.43383 93914.31645 137727.2182 144659.427 10016.91059 10175.99796 126548.2171 109905.5357 101416.2409 92619.17219 105025.3491 99902.07335 121178.6632 133839.8152 174901.1141 111208.5267 82243.16624 115991.6174 128927.9511 102306.7794 87320.84089 86523.48691 95409.14273 77109.68592 155745.9458 159109.2033 111316.3763 63827.49557 82700.07584 409591.0955 101127.2355 85893.725 52745.15135 104847.599 71668.75762 65708.07388 83352.11189 133170.6323 84907.83452 85703.24877 73583.80173 129636.0393 102807.3333 185991.6856 131203.5541 106935.0107 131422.8307 137814.1867 100239.3773 117528.5747 96115.41738 89587.09831 124999.6213 108672.7156 97871.49123 85768.1272 128923.5424 140561.0701 52110.08209 91500.77692 143778.5943 59117.06061 112929.4194 112096.0206 132253.0802 105875.4959 76382.2054 89684.00054 118195.4589 82553.79436 274496.8465 137321.5406 98958.74891 89790.80148 nan nan nan nan 97022.47796 91624.64113 132978.5288 141792.0992 13337.40184 10008.69021 104818.8214 serotonin 1235 nan 37620.91915 235 462 2440 1488 26060.11723 27145.71144 27948.35255 26686.99117 8794.426868 6309.466749 21729.34745 32288.96523 37122.29085 29575.78709 29999.9149 37995.58537 34893.53958 22282.59004 26202.35808 34597.78596 27256.53438 28015.68514 21100.24478 36144.58406 26968.82308 26210.26933 31549.81005 32040.31252 26745.54705 25868.67849 30349.49222 29099.43254 26918.11677 25130.49987 34036.33717 37831.37808 28888.49706 49955.50767 21032.52674 24845.04746 22827.27812 24533.46837 39442.38039 26373.79214 29026.51309 23626.57853 32348.36992 27892.02732 27404.33859 21132.08036 32307.91813 24320.0742 29414.31447 34696.82426 31963.72283 26854.85654 21218.08426 35410.2136 29507.64653 26646.32258 30352.06466 33585.42368 36617.57887 21373.42088 25209.00703 33028.13679 23012.30211 24262.09328 21891.54823 37196.7213 34425.41667 24938.31084 46216.40443 30208.94074 21476.6503 24119.8121 33935.78641 36613.61595 1096 807 139 110 26275.02996 24113.96841 24071.27276 23186.50908 8489.405065 8134.565839 31600.6629 hippurate nan nan 2651902.842 nan nan nan nan 3364160.199 3367398.514 3151721.257 3114872.018 46290.45844 42368.20861 2999246.022 2512760.138 2579232.456 3328468.225 3776989.384 3809058.42 3972923.961 2399836.252 520759.6155 3128419.315 2562321.413 2290563.249 2997268.408 2503327.577 1170387.404 3193168.147 2927413.88 2998886.574 1588446.078 978758.0102 2079676.661 1251145.392 2675307.675 2981061.429 2547580.693 2541608.882 1674331.865 4289876.22 1340960.197 3136930.585 1610811.116 893624.5816 1866263.646 2001576.288 2452637.15 2861392.73 2458709.141 1564541.697 2157848.327 279435.0066 2082898.857 3416786.117 3192325.955 1942766.665 2943075.187 2465331.788 2832988.389 2430344.939 2428652.111 1625193.147 4599596.812 3466744.406 1424254.362 4069685.134 932161.6094 2764933.94 1479271.693 1769450.023 2761658.603 2374001.73 2037333.159 2657037.704 2050170.961 3543384.301 1746627.382 2731028.327 2362396.352 2356620.945 nan nan nan nan 3025465.02 2995186.792 2766518.676 2824971.934 39495.46233 39785.94525 2303919.507 glucose nan nan 201118.0826 nan nan 10878 11550 53981.59924 235047.4292 209850.3066 230068.7929 nan nan 150575.472 226989.071 211085.8375 286810.8582 244907.8583 259153.1769 237859.891 280989.1494 284101.7246 263936.8472 279485.9427 250525.712 14455.76179 268137.2753 305833.2366 249589.6746 294800.1652 276368.6989 300889.6973 325634.5592 290671.0041 54203.31464 338113.5786 48725.9956 56515.54386 228682.0995 331634.6945 217874.4242 236736.9453 298178.7072 299568.9865 259752.0664 242638.2943 317617.8781 267849.6809 55035.13904 216603.8012 263372.9998 262523.0843 278850.876 335809.7584 263417.5821 315844.4485 250815.2894 267310.1469 277245.1103 159244.8058 55207.19444 233875.4718 268185.9797 260669.7186 295388.41 328746.168 240172.321 299116.5398 323573.7681 250992.8721 335493.1455 149619.178 235216.5652 253748.0582 350408.6538 232599.5942 283083.5335 299658.0218 167189.1658 231064.6403 235522.4413 9210 11727 8637 8011 254376.8508 267936.5797 272263.8418 246326.8464 nan 59510.78168 240764.4338 azelaate 49379 5229 43476.32091 5660 4044 7112 8431 72350.45763 66755.21901 55365.40766 67147.2382 9364.206237 10507.34985 149494.4558 59995.19896 60620.19991 73561.37183 74331.78846 21225.29173 79776.49189 67350.72005 11808.15723 82010.23961 80622.64708 13233.52371 129060.1267 51739.58483 67222.95275 74685.94342 67940.8979 23812.28703 21503.81274 14360.78636 21457.06725 17250.92034 19054.62281 126932.7153 41822.29023 45528.52569 89835.13869 121109.6886 24480.47049 65021.89037 62985.16355 34624.11448 16286.49031 17910.32274 69906.05428 127709.7127 44796.45666 15309.00015 86512.67875 49903.95079 57213.15242 80619.42044 12528.88827 18947.51347 73137.14608 23884.09584 121872.6799 48070.87049 50137.59815 56145.26254 79146.73813 17327.36134 15452.41379 64654.42536 11310.9707 15275.71557 10373.6054 11977.92313 118739.406 53169.83141 18119.44113 56369.04353 21297.22461 79722.96696 9916.502083 116652.0306 48834.00918 52805.20507 6434 7168 5093 3644 47063.51738 41722.16077 47424.58421 42430.45779 7946.333145 5085.927671 51969.50902 N-acetyllysine 3060 57 14022.62326 212 235 5336 4626 22013.4557 19006.21559 20797.66721 19437.48045 42453.93606 39142.56023 50523.38162 16346.13994 19127.80042 10897.14852 12822.41638 12896.98452 10488.07947 12635.88171 9465.1484 10298.1599 11202.50541 10471.35678 46528.67836 15573.05352 8731.305921 8808.529392 7587.895826 13004.78974 9890.477671 9804.249336 5846.566806 7663.928822 9839.615779 43471.50213 17420.73653 15191.34316 12456.66038 17608.12032 9114.336044 9210.034255 9296.083626 9172.851209 10650.06475 10371.96242 8557.92264 34014.75941 16341.10586 9951.556885 9562.672127 8690.330044 8027.339851 8960.695747 10599.56446 12053.33812 7894.178595 12120.59904 40108.48763 17009.41652 15452.75186 8518.877671 11719.29795 12307.76212 11591.62886 9971.483708 13662.33539 13385.07989 11408.99547 9785.828457 33374.49157 17798.89937 10729.86301 10832.87268 17644.94853 12376.73869 16086.87749 38473.99836 18837.55867 19493.4459 4140 4163 nan 552 19799.82579 16323.61326 20483.19354 20834.48581 36985.97123 35051.821 19357.34003 3-indolepropionate 8332 nan 62709.77104 nan nan nan nan 37974.89798 37503.58936 44859.98524 51018.72394 26948.99703 27014.73777 50090.06544 69079.18755 61317.59552 88920.63265 44101.33737 70099.28767 61987.7757 45896.97576 74541.50933 61674.95042 47137.39148 55797.38985 55157.42129 65625.088 59859.67857 66818.35805 78087.0579 55002.29824 58475.12614 304330.0762 62058.51554 86954.42229 54768.10973 187820.7884 62812.15414 57944.52902 60781.79865 83616.30807 73522.06588 53334.44261 70980.30806 48275.03362 39040.81054 52455.83408 72199.62187 52594.87355 64331.87341 40334.35967 62804.45894 75507.3779 125968.7521 49571.75855 42271.8052 52029.45943 72664.80391 37470.38067 64751.82993 62664.68621 56489.76214 40133.47024 104040.7976 66995.77623 45797.75906 53030.57006 90425.3179 69658.18983 57875.41947 95489.84196 69821.06845 64263.30029 33233.85915 61168.73705 46147.63481 60953.27233 220938.045 53228.83087 61126.42613 56290.4634 nan nan nan nan 33716.80388 36157.82607 38354.57885 45412.83258 24228.7705 25621.05572 58254.14395 citrate 122 207 29845.47265 111 nan nan 183 58848.53411 59450.25809 38354.66367 39192.74752 24469.10271 23023.56305 30083.51294 33085.84277 27742.08537 20567.88888 25607.81178 22863.07926 24822.14369 31015.38308 28717.12924 22708.21342 30774.25644 25764.33699 27045.66518 26055.47244 29930.04709 15947.16645 26593.22347 39387.04237 20674.654 18873.91257 33972.27249 31628.8946 31632.98004 30138.452 29876.7261 34526.42917 33183.63711 36486.7353 26578.55762 19467.09917 31694.66232 14246.41359 29309.85212 27907.95763 23001.36683 27575.67116 29027.82351 17627.51983 26553.69935 25159.18434 19506.74169 28351.2893 37118.20148 26196.95672 25160.1958 31076.45687 27651.01377 26734.32043 27435.86029 19462.96499 47753.7839 30766.15575 43602.47878 17511.01654 21297.66725 44417.80517 24394.8878 34709.79797 28177.99192 27354.85236 24779.81624 25467.97904 42124.51149 34376.30757 25395.17002 27233.27357 27389.65012 29922.10728 163 412 133 110 58381.58845 56030.40053 33221.11008 36165.55945 22418.4478 22425.46803 30017.80228 caffeine nan nan 189238.483 nan nan nan nan 140954.4328 135437.6134 246076.4293 241559.586 nan nan 298922.4158 181630.2721 188184.7072 107486.3595 168399.5092 109816.5571 100884.5095 124663.522 288981.085 180300.2889 153960.1157 96795.88282 304275.0983 180305.6239 218938.0429 164947.5586 180884.0222 164256.0231 235621.1005 233518.9775 135730.5204 287497.0752 139223.2693 297984.9914 190116.4979 186332.4086 83793.7981 376823.9961 87834.38816 182977.1075 139273.648 82614.35358 181169.5759 305042.3799 120527.4876 297873.5507 180317.8968 262213.6476 215638.1941 88864.25807 110262.8067 158202.6399 289612.8657 225383.0497 231562.1582 133110.8843 297243.6699 180423.5683 171723.2291 312767.3271 183187.7636 204233.8947 209208.8716 264066.1912 209590.1115 194153.5208 283098.4694 154345.5781 294901.3328 174668.2368 247381.8482 92806.94598 157646.8245 107567.9082 110351.5607 285233.068 173746.9645 180648.4533 nan nan nan nan 129166.3691 126683.9848 236249.6712 233116.6773 nan nan 178334.9429 3-hydroxyphenyl-valerate 367327 43116 30114.63678 45384 43854 43398 49884 17616.97191 23661.78226 26781.34189 24597.13145 23641.74155 23176.04473 29885.10524 25910.66806 26262.40486 32194.93253 30788.65948 29531.95622 33543.92995 26404.67816 32984.52441 30928.74754 30126.54692 32537.69172 42945.46151 34359.02102 33483.55756 32655.6321 25251.60713 30297.77987 28323.83952 28604.3465 29204.58487 30275.72543 28714.42691 29846.95471 31140.44818 26766.69626 28284.55896 24639.81957 24563.89318 30726.71178 34115.39483 31653.03095 28710.83979 26131.12746 32438.40664 39795.62657 30555.76276 25060.9421 32592.56709 26549.1531 26169.84992 31792.56898 26165.83747 26326.18709 27986.5606 22546.54541 36144.23032 33061.84214 33232.90694 27654.77834 38211.97666 33434.03016 28438.15945 29732.46602 24855.42305 25218.22435 35482.98831 30878.92316 26998.83423 28324.23296 24558.37124 31080.49841 26670.403 27959.20321 26663.25128 25923.78084 26475.82732 32418.48835 8935 21445 31195 24309 36214.54499 28621.57781 28398.20056 34529.35014 17953.54803 21005.19765 26315.84153 sebacate 37752 9208 47429.90002 6995 5672 7807 8072 122159.866 131995.2581 120055.7751 117972.6462 11919.41225 9200.815592 97533.17438 43324.46312 41376.00216 57619.07846 60421.41264 18390.21296 38489.2662 60875.78269 25018.01127 75242.42921 71220.48837 16546.10029 106363.7716 42046.61825 47935.5279 45991.99736 31188.10949 21435.38581 25061.89256 17689.16081 23924.14592 18941.52895 20597.63272 105714.9071 48821.22609 50131.47192 74823.6992 80169.66722 35268.45262 98599.07744 51880.63796 119983.8595 21708.84244 19754.35806 65510.53844 96165.65964 49264.75834 22545.85663 56115.5348 51213.99251 43731.13949 84243.13041 22288.42926 25477.57909 46107.01669 27888.5349 94360.61529 51157.96675 46822.23586 52493.86325 52864.9818 21917.64885 26070.1434 92748.81391 19547.78507 17374.40848 19604.5786 18556.2446 94402.15726 45390.43665 25364.60339 70220.00038 27127.00911 71754.84177 27232.43446 91948.76078 46606.64152 41794.33455 7387 8748 6524 7967 123553.1714 123327.3575 118429.4621 115894.6964 5806.639365 8267.746759 42696.80568 Ala-Leu 1330 327 29870.45344 134 212 999 1031 40839.06515 42806.05017 43677.94111 39682.51676 4192.828288 5889.744478 26978.52561 30653.15812 30868.41226 51787.20329 33505.73703 47152.14214 35104.13108 30834.04399 48928.48146 33286.05166 53340.03305 39365.67417 29014.19646 31459.67425 55863.1993 44441.03396 35373.16354 40614.61043 43137.00484 39296.98154 49501.72734 44212.44507 37867.97522 29387.31315 30015.78728 30134.61198 48669.52289 59738.69456 32180.56071 43333.34004 55492.73369 51636.50439 37848.46929 38769.02882 57061.5198 29167.57574 28322.3822 36574.44648 42651.96356 40118.23932 40769.25051 34086.2114 44165.18074 41730.02153 42641.58863 32330.74991 30509.49201 27170.73265 27302.11592 23667.20487 48381.04242 42893.90249 38235.01047 43966.27166 47621.54334 55901.42538 66831.37201 46266.68346 33453.60512 30461.50133 42406.06655 46487.10019 53057.50351 49767.5405 40687.66301 33204.46252 29330.44872 32997.76108 522 260 243 301 39554.70198 33749.92088 41298.42507 44304.76497 7683.405866 6582.583725 29931.34651 spermine nan nan 22461.47546 nan nan nan nan 52009.03127 51759.22021 66974.84668 68447.60407 385561.1125 391040.4141 24484.3181 24984.53998 22958.89247 84384.54575 116499.2293 74337.71624 59284.50524 118271.2077 26316.85026 165367.5264 108496.1336 55171.3488 22819.32894 22942.55333 146487.3689 149292.2993 122811.5923 95998.90852 55880.72405 49175.3027 90449.06695 52553.67915 43048.41285 21059.89745 23669.96081 20377.30864 57692.90175 223735.3924 39745.96608 75350.38029 88563.20508 146842.8114 96841.37895 111835.8732 73447.01415 20240.35679 22932.51643 86335.63357 152018.3031 128784.8713 83490.01157 191514.7454 68097.03879 88205.86498 148256.268 119059.5443 18169.69826 23557.00979 21889.0425 61540.9516 195019.8216 52684.85537 128036.5111 56941.07475 22174.68845 44219.28386 59138.24372 27175.31785 16821.28902 20345.89446 88925.27781 68872.26866 76559.19921 76899.38681 17780.9081 16582.88012 17877.87782 20691.4486 nan nan nan nan 27837.419 27406.4305 50289.93679 54397.20515 373400.0427 356698.1232 25453.1629 Car(2:0) nan nan 17664725.28 nan nan nan nan 21594408.03 22501295.83 24281780.87 24047188.18 12652932.76 12342775.72 13553967.15 18307519.13 17085057.56 22158649.04 20459211.3 17125842.15 21307231.64 23519528.69 14349496.99 21368856.27 20431922.96 17560766.57 13936507.67 18018780.91 21647345.06 21735037.57 17873753.29 14252664.8 16699276.72 14142639.27 16662179.42 14374503.69 16670740.02 13881005.52 18359579.51 17598478.19 20027642.19 29665251.67 11864444.17 22430837.53 20293588.69 31893215 14938416.5 14627196.61 22685058.19 13722914.03 17974769.19 17806750.87 21531737.94 17748420.31 19979600.49 24428435.54 15527815.99 14314625.28 18250674.09 14147142.7 13827580.48 18182229.61 17817767.24 23259840.83 19250849.26 15652603.72 15140172.38 20806373.4 15027127.09 13614595.62 13113519.55 15702075.8 13972897.12 18309033.48 14833705.15 20425042.7 13815958.11 26224596.26 17134601.67 14163461.83 17842910.05 18421537.31 nan nan nan nan 22342111.82 21533936.28 22954844.03 23479945.09 11497870.88 11726914.91 16959266.02 tryptophan nan nan 1127784.113 nan nan 4254 4300 1173429.829 1152244.008 972464.8633 978066.4159 947003.2412 943692.0949 900375.1621 1131016.744 1121875.17 1087701.655 1046595.251 1228293.375 1095013.792 1015553.268 1261473.811 1253388.929 1100789.893 1082307.785 901271.4214 1158657.76 1145221.053 992726.9939 1013857.633 1087855.463 1241229.401 1038699.885 1247150.599 1175144.658 1109142.607 888376.0374 1108110.617 1132589.837 1039574.572 1606079.654 989430.7784 1085020.797 960599.3136 1193863.179 1100492.253 970942.668 1066558.122 935462.7633 1109633.496 1092351.491 1116802.324 991334.1687 1311927.911 1096769.315 1105286.241 1084477.982 1194078.902 1054526.346 912220.9856 1144681.205 1140401.676 1068706.388 1012572.566 1185630.718 1126771.219 1219853.13 1176807.254 1084339.24 984849.4826 1120301.117 884000.8614 1168731.154 1053640.022 1027258.487 1081499.563 1069319.039 1054898.388 891735.4737 1175884.145 1139242.477 nan nan nan nan 1127105.68 1124120.71 959816.3336 958869.696 937430.5232 917049.1928 1151328.347 FA(12:0-NH2) 22600 nan 21665.52116 nan nan 5121 nan 72816.54665 74343.67492 8324.244164 9724.174192 9337.52002 9051.437845 26103.43035 26153.40995 24635.33117 21138.81259 36733.87808 15190.77268 26368.326 18279.36699 23019.99443 17371.32706 42143.12888 18671.0379 23133.68443 24139.86996 39344.09181 10293.19005 21138.75411 12817.06658 20100.13201 104389.6969 23622.89436 58599.98594 23678.05914 24486.25471 24248.12457 23969.12597 15821.94659 29071.59186 12150.59054 20029.29743 7651.671891 22967.23589 10975.07336 31277.47275 40481.17497 24981.97514 25485.95126 12925.9574 15212.82601 10465.88634 25483.84183 17932.90632 30355.11807 17708.49829 13605.81424 22386.48378 24410.74159 25373.37919 25257.02674 16692.26724 14978.46495 12496.50241 27545.24636 18457.31226 11798.02922 14234.13751 16869.51816 19063.56791 21673.20818 23475.80894 20366.80271 18111.07028 39689.06102 23497.37658 10390.10304 25865.34882 22987.07026 25677.33314 6359 3907 nan nan 68847.09228 69987.45552 9397.370571 11588.51155 9202.791464 11131.30293 25272.93374 Car(3:0) nan nan 8010659.014 nan nan nan nan 13368742.19 13930305.97 13321981.75 13179717.42 1231815.479 1185892.424 8392584.782 8192704.509 7804596.939 10630276.83 10464995.6 6196523.989 10331041.17 12157006.82 5640195.956 8499544.066 9430122.928 6203730.929 8361334.611 7984413.433 10168817.24 9191625.867 7661569.076 5723432.97 5179136.112 4765384.631 6614534.023 6237542.169 7425927.873 8375695.039 8032862.283 7930152.636 10412361.17 15274440.81 4774308.623 10454803.12 10135600.9 11387683.52 6531397.922 5917067.686 10366759.15 8321714.576 8110225.906 5977858.451 10271953.57 9032334.999 7998346.499 11159355.58 6410847.774 5567553.532 7985649.763 5332381.484 8198452.644 8144915.643 8056493.036 10864863 9631165.348 6134009.447 6347733.883 9593522.739 5438662.566 5475541.419 4815277.934 5559686.296 8230495.557 8163216.304 6302914.329 9947430.281 6609071.707 11490477.71 5937532.718 8440936.865 7982516.516 8045909.165 nan nan nan nan 13824805.96 13344375.54 12838923.5 13017445.93 1096341.654 1106042.785 7854141.879 Ser-Leu nan nan 45983.97977 nan nan nan nan 50502.37169 136016.6449 106032.898 68621.19727 2012.804829 1793.632792 102712.8861 53417.8826 62518.46489 64204.42707 66582.99796 48418.78729 37676.43414 75091.4795 26559.40784 49121.01915 62266.94346 78340.20229 117735.0006 45054.89363 103200.7918 73987.2379 52045.91669 50005.73475 68036.98478 33354.66228 52488.42451 nan 52229.53821 31906.80304 47870.70006 37624.11352 57502.98225 85113.43518 30598.44422 63345.1129 70609.30386 76188.8366 38518.0851 34947.68468 67552.8689 126097.8936 98254.78398 39902.4688 58883.11418 35671.18596 52283.50354 49285.76822 34056.68107 47939.36362 73458.87619 29023.10727 36287.26746 99603.46518 78016.17509 96012.88445 57162.20089 60039.37348 63977.86229 82097.69875 42483.60824 31581.85323 51229.63827 48107.22253 64494.20617 59724.01849 113206.7239 51790.8755 42138.83162 86779.42527 48260.69178 160702.0199 114016.8432 35181.74828 nan nan nan nan 55218.79352 105878.8855 93056.74688 135306.3137 2207.69476 2094.501297 77081.50727 pantothenate nan nan 6519689.688 nan nan nan nan 6142275.601 6418434.654 6540661.936 6487241.891 2347978.391 2235989.769 4625501.013 6634233.66 6290712.467 6445114.167 6259594.907 6979357.573 6813721.563 7099501.063 5023432.372 7377059.573 6467249.378 7568435.512 4681455.866 6581223.312 5939422.565 6801625.597 5127908.28 6073131.161 5989643.839 5528997.337 6502113.465 6117205.693 6380907.688 4704220.687 6688329.679 6617015.136 6284340.365 8887259.089 5194567.299 7072351.346 6644347.917 8232724.539 7805432.506 6376050.369 6287097.919 4731006.045 6721205.507 7522003.418 7238492.933 6143022.652 7372909.885 7836102.511 7255207.201 6378398.427 6358950.464 6844877.015 4661668.608 6741878.648 6680180.794 6837727.999 7575921.114 6593346.449 5978661.926 7832632.011 7043958.783 6714321.463 6025675.632 6895546.523 4741128.412 6895076.217 7623677.585 7740033.993 6795715.042 8371316.656 7707202.275 30659.32074 6762262.05 6515448.026 nan nan nan nan 6552817.64 6404556.074 6580382.959 6625556.025 2335247.748 2326269.523 6696601.771 diethylphthalate 599308 142373 121540.2842 126766 137537 139952 145045 97619.67031 133098.4579 98625.4993 105541.0023 84244.69477 75029.48594 99879.99971 115887.3527 116883.7191 79518.69306 68938.64281 95492.4506 75701.99303 81177.25266 81240.29135 87847.99587 72690.16265 92707.53684 99169.55472 113632.4952 105685.9356 73175.2357 80953.24159 79939.84645 100725.076 127213.3156 87134.61008 79089.75669 86600.40216 107621.7843 115309.5372 114232.2485 83602.77468 88756.62927 99853.4943 93293.14046 56319.9673 134882.1605 94311.43148 88032.76733 68342.65584 98191.02859 108029.3624 112157.4668 114149.7828 115101.6868 67590.05076 76165.19282 94133.3105 79792.06668 83937.73613 136698.725 110715.1803 114390.1455 106826.9384 82361.30514 73027.69649 100013.9055 87714.80056 72025.913 109189.192 74588.38432 105312.6142 79390.11793 101198.5369 112978.4449 120948.8418 71061.74441 87596.17928 74464.15544 81194.20813 109023.4575 106520.8245 112917.4935 72611 98715 99645 101741 143878.3888 145122.6358 118502.3746 117208.2091 96547.71918 98483.45498 122004.6487 Ile-Pro 760 235 2623019.844 219 848 1562 2151 1240672.197 1185943.366 794830.8723 790688.183 78249726.66 78983141.42 2257316.398 2537446.841 2537949.458 576523.3085 567384.5618 455460.5242 655848.4975 675997.1166 402930.9197 646956.1859 687539.4835 400139.3374 2370794.122 2578424.902 646462.2255 580835.3111 569154.0396 448115.9744 421904.5799 393730.8681 385500.2453 436757.6171 409228.371 2315616.102 2536008.634 2540835.812 550855.7611 985820.0162 445096.7732 625004.946 536066.5523 515541.9626 457000.3081 462219.763 618358.5916 2262755.528 2528763.779 385251.8025 614131.8516 477010.0994 547646.4413 626658.2435 501400.8538 428256.0866 543075.9059 446483.616 2265353.78 2454796.839 2393022.871 524918.9153 693154.1278 391716.2145 409119.986 626758.4643 383523.755 471121.2827 443229.754 407956.1435 2288230.023 2490515.169 459078.4773 563506.9865 456469.9219 826007.7503 400657.1028 2313621.811 2528931.437 2505102.387 1305 1787 640 598 1246523.67 1295037.954 821338.0333 776621.8627 79308103.16 79720692.5 2684538.423 Leu-Pro nan nan 1412050.508 nan nan nan nan 822015.7921 811099.9448 187517.452 477931.9791 95231635.8 99097859.43 231599.0581 680829.3437 4463702.585 165884.6311 897222.3113 731654.1147 171458.0216 391602.9693 208876.4491 187269.3885 452471.4059 299692.7368 216276.0923 4408911.245 374402.1056 307895.8013 321002.0884 294478.3818 96175.80811 198889.5385 272819.1512 224435.046 294733.1091 452459.4298 1604798.573 1612441.52 363067.0017 570078.152 318822.2435 371066.2553 339776.406 394343.9504 820478.476 761509.3578 1112743.503 209156.9152 795828.4534 251470.5101 175953.1379 384295.3014 409004.8061 409728.7806 293138.5029 270809.0095 335586.2368 924402.6332 499187.5995 1605032.466 1652994.139 289699.0822 1280303.953 637956.9963 275006.0635 966144.6311 754861.2605 68170.07273 738283.7939 271526.834 525469.9426 1735353.647 308947.6358 1308000.823 362037.9 1639422.407 963174.0554 537062.5375 5352777.628 1157952.55 nan nan nan nan 385539.5043 2740745.836 589276.8478 238072.7114 119008462.6 107694987.4 2022665.489 Ile-Val 2423 124 70489.49628 332 103 5293 6734 70100.94308 70419.02762 65106.17038 60342.20796 8572.039368 7115.354418 57011.98607 73191.28125 68864.86503 93089.78148 70095.34733 92364.61069 73840.08974 64796.81236 51526.88339 75053.82188 96634.56652 67349.57234 55093.0496 72453.4688 98703.2248 82314.43993 72161.61355 79111.07251 71139.18172 64382.86198 65001.93376 63533.36764 80554.92448 52157.26418 74256.9049 72633.46328 75098.39531 145043.0797 54353.32548 98194.36322 104849.5516 99082.50133 75125.93102 67370.36282 92578.09941 59801.50767 72979.21693 71082.8043 81593.44682 78488.46814 84407.29459 83236.92846 87013.38393 88735.52427 93372.67261 60404.09176 56438.85989 75497.10162 81454.95659 65671.66683 87954.36485 71355.69955 72682.62534 87180.02439 45480.36644 64621.81439 65211.27021 65067.67144 61478.17471 77453.73432 75880.94615 98997.86222 77653.61508 94705.10975 71452.59701 57790.30936 73873.05893 82610.70317 4797 4896 237 231 72125.94961 65591.90381 69595.58322 69940.63541 10886.38623 9539.001671 74592.36607 Car(3:0, 2-CH3) 1852 253 6845626.653 112 nan 928 1093 18786303.4 21684458.31 9325309.286 11178970.05 118911.7051 115250.3129 4624959.571 8547975.553 7366786.263 6374064.757 9144602.093 9157003.831 9850394.681 10952329.16 4646145.802 6279385.625 6736134.223 8490809.99 4867115.651 6952956.164 8463684.444 10400324.4 4383912.212 4491308.411 5581121.013 5758272.206 9765470.442 5748453.217 6403593.276 4670533.472 8215599.635 7832818.603 8133952.152 10101301.95 3160546.671 9746117.803 6257080.986 6961632.836 5210495.716 4434325.94 9445301.99 5021860.544 6504063.271 5639719.323 6521835.778 5750955.884 6222643.343 8196763.25 3605633.126 4933659.374 7103366.905 4454561.361 4685994.546 6296789.698 6891084.618 7612020.218 6309949.104 5041143.059 7670690.143 7681551.465 5172208.339 4250022.587 3954108.347 8277453.458 9153547.914 7566350.716 7015230.206 6210811.363 3975043.196 11084218.51 7518697.412 6428016.473 7364737.329 33964375.01 628 706 206 109 19164481.67 18590902.55 10577498.08 11481892.86 117002.2069 116171.2744 7319222.141 Car(4:0) 1238 nan 11276695.79 73 116 3282 4542 12057549.19 12191050.41 12862919.63 12671035.98 3550080.724 3424123.91 10102108.19 10702776.65 10949067.83 11755198.13 9636883.309 10785129.4 12196128.37 11572392.06 8274391.235 12827889.77 11625990.47 10482808.8 10104996.22 10778858.32 11782169.44 11853911.19 10342650.68 9308496.778 12592538.23 7864643.971 9711042 8164344.391 10419608.68 9897199.449 10636759.55 10432291.69 10486342.65 17001178.21 6298076.016 12295840.99 10270171.77 16050232.25 9456154.79 8525335.158 10551019.34 9773114.886 10300339.69 11521969.46 11559923.18 11206095.05 12010979.72 12467310.56 9445719.452 9478098.443 11856149.25 8463292.556 9844995.346 10654807.58 10538244.39 11784878.82 11875605.13 9464656.449 7812861.74 12800104.4 9570532.415 6836442.051 7648924.312 8985851.133 9710048.746 10395386.22 9526311.907 10152096.9 8122624.3 13601571.23 10405913.5 9712401.585 10497385.05 268271.3896 3564 3953 423 768 11150565.59 11166477.22 11885625.49 11953317.09 3057416.934 3109474.418 10271892.81 cytidine nan nan 122955.1094 nan nan nan nan 86584.79629 122282.7233 61330.30742 66801.00255 16307.23165 33409.09187 99501.38109 121656.5953 98775.01757 57061.62011 53429.68049 102639.9271 54554.01724 73772.84061 75488.7948 83603.9919 91936.49541 102654.5816 109124.1579 113881.3749 93113.12579 67501.91747 60497.21331 66233.06297 90112.0519 94492.92109 86649.7045 77785.63078 82602.13673 142733.8773 106565.7821 117200.9884 57767.97245 97690.75425 100839.0369 60857.71406 84620.639 76769.77057 71604.86112 58214.07711 59502.16793 115937.8551 110592.1088 87862.12714 48486.13567 50135.47849 69172.28949 79346.45747 60664.50742 72912.84519 64277.43064 68886.86021 133731.4439 116714.3244 100264.3904 64596.59787 65805.90647 66859.74568 95283.53746 67291.77135 84951.8492 56333.74079 61082.09043 107370.8916 144307.9767 104744.3008 64814.12257 45811.20938 46454.00115 69508.08033 78092.88078 113323.0259 103484.312 111980.2104 nan nan nan nan 87197.13311 93441.33966 63123.86475 84455.97501 23442.77249 20306.85221 108924.5584 Car(5:1) nan nan 112860.0843 nan nan nan nan 241373.3331 222083.8755 135971.7677 151452.2317 158514.172 160553.7626 105237.8928 127269.3846 111906.7354 120005.7352 119899.6676 111252.8049 104301.9569 151464.0532 66613.53131 129147.6054 132611.9116 120138.0684 132869.958 118359.4335 22117.79793 101010.5186 87879.09641 103415.7224 79876.34203 66324.09249 99463.71947 79793.50473 119884.9343 120550.8451 95592.67523 120688.3902 131132.6396 199937.6624 106330.2502 120850.7863 116980.6104 142396.8625 115000.703 91716.43884 143471.4797 112656.926 123520.4369 86445.59926 130045.9782 136291.0352 115046.7802 138524.9232 98325.37416 138753.346 124033.3085 77046.77959 120139.961 122693.0298 115840.0407 120637.5895 141594.2701 99032.09533 84497.2805 145839.1058 77195.64652 95232.24071 84277.51466 95400.99004 125064.0701 127870.5975 107461.6827 99099.84448 92333.82145 146119.2884 114847.7461 115466.915 120035.6657 123556.5105 nan nan nan nan 254916.2896 252054.9352 163434.1071 160540.1663 154455.6312 156607.5546 127927.2282 N-undecanoylglycine 172961 36832 490394.6327 29337 37476 177961 180265 31063.24743 131953.4089 122229.3213 152820.5621 132442.6845 130743.3535 584413.4153 492955.9202 468138.1131 206636.1496 237708.6559 185302.5158 211269.3679 269554.9418 185723.6922 202563.8932 212747.3197 202888.3726 622864.9537 506780.7489 365206.6755 167406.3391 231945.5997 185522.2227 243343.9546 352291.0976 399174.5028 425181.3512 278759.8806 619264.6098 527374.2344 510442.9767 219930.0934 306466.1951 188140.1754 250052.1559 195227.4402 309690.1022 245145.3286 345392.1103 303959.7381 630821.3594 517625.7566 225955.2558 308339.3085 264367.6962 243132.3396 193023.4308 317179.4035 294601.2083 176079.798 178849.278 602556.9017 509524.125 495488.122 177602.2266 199775.0846 178132.8753 316979.3786 262092.7857 161454.891 261940.7221 318642.5424 342806.8334 605088.1584 518229.5133 325899.2712 218077.1685 357730.0154 247094.7351 168339.9596 619976.5352 514895.3762 502812.5359 12445 48192 20002 20785 349277.8204 368964.264 188639.0985 180951.1855 143738.0024 145431.7086 515103.5156 uridine 2774 2763 104866.1701 2306 1553 743 1671 163730.3644 164329.1113 158144.82 149127.1658 13624.9833 12100.1627 131195.5093 94871.86243 100443.9948 124574.652 95934.03555 84014.87112 115380.4207 134347.9583 69553.05064 166656.8266 144838.5356 95482.7199 134154.7925 104595.3392 137727.1841 137267.0779 122712.1818 88366.15655 111686.8721 76761.42789 87151.81712 71085.1113 96237.73902 118160.7008 92685.10569 95747.87806 110444.2736 187730.5438 113158.0193 138576.2883 126061.0221 152926.7855 91042.80147 82212.97366 130040.923 125181.4651 100405.6026 110230.1343 134569.1627 128056.8841 124176.6023 144938.6649 97425.52242 99442.16847 133451.5356 77914.55672 128264.5678 101790.9665 95151.71991 166093.489 126240.144 69090.48825 82807.14446 153822.4241 95733.15874 48895.28125 88069.5276 84378.22703 115303.6407 104227.9899 88835.39577 111321.0166 61438.90505 132973.36 87348.22303 113519.5449 92571.92624 99453.7974 239 604 393 235 156611.4486 156928.3819 164766.5706 153955.2917 14426.06243 12859.30902 99883.69611 Ile-Ile nan nan 165007.1825 nan nan nan nan 226224.4704 226136.3296 170880.2161 176211.4934 nan nan 36037.1928 165791.3625 163873.9037 343191.2822 205759.7688 114285.1206 204664.1676 193197.3065 169590.0965 245246.211 318194.4191 207902.5242 31873.03774 154125.7793 278894.7536 269923.5282 196400.0072 182676.0272 191822.8665 156064.5851 198273.4913 141892.3468 210419.0295 29405.50941 162112.1862 167091.0998 217022.8486 311015.1921 193106.2571 212846.9614 297626.2657 372895.6511 183659.2292 167862.4493 284222.3658 30364.65092 146974.561 163531.8374 275165.7636 215664.8868 246033.5472 214590.161 210933.6139 223304.1639 242660.6201 160322.9971 33774.12091 165850.6478 148918.5802 159497.2823 278820.4682 173408.7147 90295.15213 209322.4624 186938.2892 182148.3231 185819.6209 150143.1824 30728.03397 152149.525 171706.5216 295123.5622 234225.6916 286757.0116 222737.3052 32553.14415 150494.2891 173545.4782 nan nan nan nan 194422.1436 209420.6661 182858.2899 190245.0764 nan nan 164500.6431 Leu-Ile 5173 461 115394.8178 51 183 1114 462 168730.3913 170919.8592 151584.8868 151076.9202 15827.96057 12572.02779 27565.50807 108895.1585 103468.181 269197.373 144827.4062 217575.2134 150607.3488 120417.0345 153992.7313 163809.7551 265362.1204 184664.557 25588.56215 95037.17299 219523.0133 194240.8083 138371.6692 159773.2278 148733.9558 127095.8248 178444.9666 126193.8299 155974.8938 24605.33834 100616.4283 97986.54494 168922.7804 190520.8446 135100.5273 162620.2525 226399.7568 325964.9753 166739.0159 144627.4154 229622.8637 24247.04497 101569.5683 139443.9301 185757.3706 155116.3173 161848.5069 143036.1864 172882.3933 194553.9183 180819.139 153363.5431 26794.34421 99569.26107 96986.13478 85755.15378 214410.148 140922.4842 62139.75751 158186.4412 186985.3005 181095.204 208261.9689 137199.7613 25766.70798 92699.35815 135549.9037 237152.7219 223772.9981 231460.802 178028.8965 27358.19277 84062.11346 95054.77782 658 703 138 nan 131763.8407 148005.7438 160831.929 166808.8577 24457.79211 16832.66572 99703.70583 Car(5:0) isomers 1796 122 977752.1258 210 130 472 506 2245164.576 2239327.075 1300207.279 1310245.33 1196739.589 1268521.852 1291489.536 1031600.831 1062722.568 1634737.04 1267961.863 920200.8958 1338230.729 1423115.219 727502.5775 1013791.088 870629.85 870889.9856 1089121.709 1012903.092 913872.1551 1603112.992 870018.0442 791087.4053 817917.9008 500593.8381 821032.0773 599207.1522 859333.6582 1152079.947 945571.3175 868727.3928 1071895.183 1697477.412 401346.2944 1363641.227 887820.0695 698763.6069 758849.4757 689560.3701 1401823.329 1216585.682 1002410.43 715003.9879 1164635.617 978098.3296 1419025.43 1417412.629 774895.4051 753456.5298 1301956.778 532526.8573 1268525.92 1008510.662 1044745.645 919448.064 899261.1201 815254.4736 848816.3626 861116.9959 726108.2161 701920.0229 517027.0877 923588.0147 1258965.642 969194.2735 776104.5597 955086.6843 618865.644 1242002.483 736178.6273 1222096.328 1032422.517 879742.1139 229 701 102 337 1944191.803 1692313.559 1063436.195 1103607.187 1214338.147 1234670.647 979020.8672 Car(5:0) 1796 122 931660.68 210 130 472 506 2920480.478 2542276.516 1240570.55 1249443.627 1271776.547 1225582.782 1112332.855 930527.4278 978541.3485 1257759.416 1115975.428 962617.1645 1200021.004 1310362.055 770887.972 928819.5315 749504.1446 923531.1041 919694.5382 826474.2477 913559.501 1298366.757 643495.6756 761263.6581 736949 529345.1891 861765.2618 619504.3593 829330.8361 990155.3844 919550.4874 919618.7361 856116.5757 1787941.318 454411.7805 1311397.828 906337.7058 668246.7027 755607.91 695492.3772 1521513.27 889176.3671 952649.8694 790245.3284 1016364.74 936202.0321 1313151.599 1504112.213 672872.318 734210.7655 1130299.515 554174.1929 989948.2312 953619.4785 964395.991 932661.7189 834373.3221 787324.9719 796074.986 675010.9887 746170.8003 684184.9746 500894.6313 826762.3565 1027943.696 953146.7156 813149.2264 791443.3013 520033.1835 1147796.461 776769.8115 926395.4228 933159.5171 977810.5392 123 593 102 257 1703045.379 1734251.361 1011834.149 1045151.398 1140728.055 1107744.97 841284.7327 Car(4:0,3-CH3) 16261 107 4632995.173 120 244 556 429 15535549.69 13567684.93 7236809.883 7064788.647 1189199.926 1295598.443 4222752.204 4836963.627 4971084.157 6633145.931 5587731.623 3135402.878 6688813.257 7172067.901 2340763.195 6084531.232 5341070.284 3378409.007 3982939.745 4678770.721 5694140.943 7251190.526 3968153.191 2903400.273 2686208.059 1947481.409 3134149.242 2511185.588 3686656.315 4013659.84 4602437.645 4639270.332 6030425.941 9916195.962 2066383.144 7721586.468 4362057.722 5495926.754 3257438.987 2764404.496 7796052.095 4080784.018 4785363.914 2667434.041 6436535.395 5331832.084 5137149.664 7364020.75 2998331.427 3017202.909 5367005.98 2448054.331 3997140.679 4689509.478 4639240.462 5701832.176 5569449.396 2894497.924 2558359.016 4627403.872 2495926.988 2011565.212 1919985.06 2602964.888 3931700.63 4415916.356 3142438.643 4291642.514 2755436.971 6456365.391 2761737.541 3806719.896 4446657.949 6239698.533 429 1032 nan nan 12133323.54 11413689.51 6438296.89 6329564.777 1306671.505 1310923.68 4596764.454 Car(4:0-OH) nan nan 3695560.018 nan nan nan nan 5351979.192 5472457.617 3808487.275 3917010.075 541431.1557 318408.8709 6350763.869 3809917.413 3487395.919 3472789.103 4075881.923 4062662.067 3976716.729 4161986.921 3838109.355 4792813.985 5712632.949 2572552.217 6266403.351 3650952.008 6309938.373 3489660.913 3192517.932 1890649.56 4687804.743 3126562.345 3620800.625 3855210.616 2511591.144 6369906.606 3693579.415 3661742.466 4357931.25 8113820.792 2962519.107 4660178.093 5020101.894 8342148.744 3029458.793 2158684.839 4136200.306 6411901.072 3764971.011 4322241.034 5140519.583 3073928.085 2413725.849 5477095.169 3614079.744 3323193.589 3000277.124 3038350.069 6357130.482 3819160.724 3787785.741 6428113.826 3902989.882 2558965.057 3517703.659 5325516.708 3084600.966 2864650.213 2695963.802 3007918.988 6573837.021 3884240.702 3911158.894 4471400.998 2523653.721 5079094.506 2763370.782 3591471.452 3753395.491 3860795.426 nan nan nan nan 5673561.981 5409053.251 3926616.9 3930044.587 498089.2081 nan 3659358.962 FA(16:1) 49890 13593 34853.92486 13801 12506 11705 17651 41788.95088 30946.06772 26495.12864 28486.74224 29122.33189 28296.52101 56652.21654 33473.69182 35654.03812 24271.06767 24879.12167 33369.3117 23536.68154 27147.59826 29208.16057 30968.06342 25336.63619 26260.05107 48946.00172 27758.40847 20928.05886 26265.09855 21218.37448 21821.79857 31897.44428 30240.7184 23005.9308 25613.4581 25033.02085 45999.97903 28231.20065 29659.57167 23758.06179 26014.1537 28730.721 19890.79933 22736.57127 28029.37827 26380.64508 24072.66363 30975.68262 45084.53869 30006.28953 29075.18588 26985.33505 26311.39009 22439.99366 30197.5232 30838.91335 29949.25754 21472.34128 27027.69423 47580.47853 29618.65981 32789.84379 32544.56141 28292.61095 27744.02304 22883.70606 25231.134 23854.9741 27074.15865 22858.29593 29732.33529 47136.40201 32447.73047 33835.79227 19372.60586 26068.78216 23365.503 26046.89421 45584.28938 30174.58345 30871.26516 11841 11252 10939 8266 25953.42359 24251.30951 23701.44196 24347.02744 27185.57796 28785.88493 29041.60494 sn-glycero-3-phosphocholine nan 3788 12013688.27 5581 3434 10097 11447 2424934.505 9501361.981 10446135.63 11541325.83 270084.7571 282899.2054 1374673.156 13326533.12 12100464.72 12029772.79 11425360.49 14336392.35 14271072.87 11806248.4 13515291.3 16711355.68 12749910.69 13215253.32 10379764.05 11829668.23 14169314.65 11757590.47 12446096.76 15410470.32 13745829.56 13823476.16 11825377.25 13191155.6 13413507.03 1820220.308 11971887.71 3034463.979 12520439.86 16215622.77 10649294.15 12040424.11 11797418.31 8924172.187 13513602.91 12531175.8 3352331.418 1373998.748 11624814.92 11727626.3 12802787.23 13147089.49 10535181.88 12210603.91 13102056.99 13988994.59 12838652.37 15888168.18 10171686.07 11869247.65 2908268.672 13394535.56 13555414.72 11664505.78 14034867.24 12973340.39 12300163.78 13154624.97 12580272.55 13237602.68 10080758.72 1846184.74 2947438.297 13248021.18 13299083.56 13147785.36 13352690.64 2302233.104 11889750.65 3819250.269 15922 9654 12307 7796 9200397.324 9127675.192 9913889.979 11118476.24 16255.13444 41126.29984 11937504.57 N-lauroylglycine 7141 7853 28118.08509 7121 4601 8919 5373 113266.3978 116163.5109 74434.37646 66553.17728 404.0618501 401.7120415 36253.66752 46118.93782 40046.13486 71095.55622 73513.00859 57726.86982 56342.2693 94815.27028 69578.94672 60806.66012 100544.3163 87603.41476 31422.68066 35087.31451 89492.78756 39216.50654 66643.60359 108246.8827 161157.8068 221668.3326 106328.2165 116761.2498 89832.51125 39455.05002 44685.53882 31832.09385 64773.14843 147288.9235 46020.65111 49020.97765 65381.759 66497.15331 53870.15387 113582.9661 121880.0871 34906.38974 30414.32594 92080.96263 79454.59419 98605.34816 142054.0814 45341.81472 152666.9722 76215.78488 88215.9663 108354.6351 30897.60706 41406.14747 32976.34032 45784.27079 99352.1482 68094.81278 79235.44831 55043.38215 76321.40419 80874.35873 108090.4922 110806.7829 36727.3579 35964.18631 43162.58819 58638.16852 104801.0691 88956.88432 81328.51906 41967.18774 28153.05134 39828.05225 2255 6087 4936 4257 132946.3248 108858.8785 54338.66659 43172.49096 407.1725193 340.754365 31990.96162 Car(6:0) nan nan 1858708.228 nan nan nan nan 213348.1066 211895.4041 2068395.022 1989874.591 27136.80831 315883.2629 1676089.768 102140.1493 104111.5544 1887595.411 1410413.219 2127854.939 1941453.2 2070966.583 1618873.804 2540035.636 2199669.831 1921829.416 120277.2801 104845.577 2421182.554 2139519.787 1929749.224 1692835.756 2936308.003 1308596.95 1879632.178 1870223.892 1904489.539 119963.6707 112372.2266 103992.7058 1789205.577 195719.7831 1001235.661 2320746.852 2395401.174 3668705.76 1948294.175 1556381.187 2370513.152 125109.5078 114169.6989 2218192.684 2594772.254 2346859.055 2229081.791 2344457.022 1942719.842 1674453.073 2176955.798 1701997.571 1700684.294 109724.9875 109816.0756 2408301.982 2345912.78 1655458.562 1557609.881 2468208.427 1941019.128 1372095.808 1404028.547 1960134.105 133439.356 116787.7892 1910210.535 1859840.392 1576137.109 103630.6883 2192694.33 125710.5082 2048461.268 2175618.117 nan nan nan nan 2564189.912 2577354.159 2391761.407 2376993.413 33714.16346 32584.12803 119892.4681 gamma-glutamylisoleucine 17119 9513 368270.8418 8532 8265 26842 27711 242239.8626 251264.1735 249887.5909 238752.4642 28047.4918 29985.83197 263159.676 388314.0247 368747.7744 334715.0235 351281.4482 386865.0061 341895.2006 380923.9766 263941.4549 471252.3389 264719.8073 282012.6523 269737.3934 374961.4121 287007.389 293560.8185 320943.3425 326541.7256 357563.0543 217783.0271 278584.9185 243288.076 403201.0201 273068.9664 383979.5897 382130.8082 301986.9609 475726.7488 291948.8736 392324.2031 254950.4766 400548.536 333831.5193 252369.3736 251708.6031 269172.7309 399172.3016 425724.7715 350212.3285 232945.5109 400910.9328 383544.3596 480351.773 387588.3624 390519.7294 382542.6735 260192.1272 401628.2473 409816.6992 385296.4945 281179.8943 324025.4237 377253.028 432152.3551 247719.8756 218558.5162 214099.7561 241222.8137 265167.0358 395083.1388 342345.2141 282557.9058 314920.1954 289402.3116 306360.9234 268566.4949 398224.9063 377483.4765 22040 22991 5923 6104 253220.0329 240956.5618 235104.563 242621.0937 30785.40077 33303.40483 395125.8579 gamma-glutamylleucine 7557 6012 2111965.64 6326 3111 6560 4009 1322907.028 1392506.953 1701511.902 1708454.807 57574.47131 54910.98207 1356156.445 2183235.494 2091665.598 2010587.991 1669256.219 1828947.459 1936425.491 1994246.832 1420309.492 2247344.775 1749520.836 1132169.295 1364335.292 2197404.942 1842607.99 1708575.052 1446505.873 1700007.456 1565473.176 1072720.471 1685770.844 1500440.165 1983510.154 1354251.509 2198269.454 2192159.649 2057168.462 2624267.932 1414659.642 2061106.585 1550274.602 1628463.886 2021889.485 1381830.106 1556540.165 1344909.714 2266809.025 1932442.882 1945984.86 1540134.35 2168828.386 2294155.585 1891355.71 1879677.028 1872045.289 1957360.26 1313730.786 2273135.045 2247934.435 2051817.23 1858026.629 1676156.937 2221374.118 1875397.79 1283496.325 1279179.483 1165781.677 1425852.672 1292960.723 2280740.371 1865490.638 1735199.686 2041760.613 1733781.124 1646996.199 1324341.257 2233063.89 2090836.874 4002 1902 2158 2272 1430026.663 1393937.555 1642669.548 1644560.796 56736.33706 56016.89065 2262961.787 Car(5:0-OH) nan nan 631383.0258 nan nan nan nan 671436.7321 688536.8094 799509.7578 793110.23 2081035.008 1993008.828 5035144.026 671590.6638 624077.3901 654952.6155 506442.8685 490779.5376 454836.7635 220172.925 495206.5712 677452.4304 752362.8891 259373.9184 5012688.744 637540.5468 774364.6305 605495.1487 504264.9532 282414.3389 598126.7688 440285.4592 452983.7605 521285.5705 474281.7598 5037344.126 660316.7483 641239.315 603986.7538 1235733.544 572854.6756 457577.5479 627767.228 1083111.09 385723.4078 315004.8105 702415.8523 4933590.8 660101.0884 369198.8443 790735.2903 695520.9167 615676.3902 609299.9234 536599.4269 469402.6729 588660.9058 483339.5494 504593.1343 647674.8937 640279.833 878460.6975 609096.7809 384916.4263 438308.2347 909833.6609 381763.1898 403524.6417 605885.8366 488669.3638 502358.8234 671648.3889 487589.5812 635516.9617 537097.9601 747575.1848 438899.8796 508824.4517 652058.7427 671797.6179 nan nan nan nan 723804.3999 718647.6884 804489.216 830000.9592 43787.21246 43220.59659 646134.2179 deoxyguanosine nan nan 14689803.03 nan nan nan nan 10404862.77 10399942.02 9864604.538 9693911.309 2609066.667 2651362.811 10836784.52 14283149.27 14486122.09 8915744.803 9404088.971 8665268.658 7827955.871 8616574.381 6240990.426 9082393.836 10250330.49 8108371.005 10941758.1 15103490.67 9549033.845 9092669.501 7999688.695 8590163.587 8357114.304 8066999.995 2765585.732 5975824.921 8682782.611 10798188.53 14843094.94 14930691.78 8073164.477 8971607.151 10604547.3 10413861.31 8917858.361 8910613.605 8996658.094 7751368.873 8548687.756 10387374.94 14735866.81 7789575.738 10817972.95 7790962.935 8392818.128 10109647.96 7792717.596 15021550.12 8441671.254 7392573.1 9792038.99 14201970.14 14331822.81 9695129.946 9545866.35 7989012.215 7252701.262 9646905.873 2847488.572 5524151.35 5050359.718 4478917.496 9906128.698 14615177.04 8349170.52 8552463.598 8997550.393 9953402.569 9034057.036 9754174.991 14147175.46 14317688.49 nan nan 3916 nan 10048455.26 10040776.79 8851011.198 8832150.123 2361233.301 2302173.793 14902361.63 inosine nan nan 2736248.606 nan nan nan nan 2939031.111 2997856.853 2554399.435 2429491.918 539595.2193 527088.3409 3579989.631 2676722.19 2790255.213 964736.003 1853521.928 1798569.497 1730039.705 1130953.172 606945.7665 2398896.624 2253693.781 1882304.802 3703515.687 2821809.245 2287618.302 1931626.215 1830392.065 1752608.293 2282677.949 1671534.817 1274080.326 1319566.597 2004312.489 3693662.791 2792489.558 2834352.211 1812955.168 2814378.418 3744925.199 952249.1771 1855439.825 2666483.148 1801452.747 1858295.269 1975597.663 3638549.79 2810803.711 2026312.255 2118384.964 2016934.544 2318649.014 2374145.515 2041789.226 3459010.599 2025685.341 1670105.221 3418273.098 2738382.348 2767321.328 2144333.764 1976346.138 1764800.531 2323397.428 2291930.853 1849041.973 1085434.61 1219406.044 1692404.238 3479653.909 2781168.121 1837849.676 1708145.615 1637579.157 2083363.359 2124959.476 3476624.797 2734632.496 2672350.843 nan nan nan nan 2947496.22 2899479.994 2316643.672 2295466.335 507992.137 500059.5376 2738425.564 sphinganine (C16) 32898362 4191840 3581368.797 4137295 4162387 4177185 4213344 3202309.344 3347827.885 3536259.431 3816787.575 3231163.768 3247987.549 5595575.026 4213738.416 4682191.541 4239902.707 4454576.826 4002812.514 4237507.245 4428186.103 4097418.412 4472693.675 3880204.769 3765732.723 5394396.165 3959319.359 3909544.006 3867073.204 3836654.019 3809825.735 4077480.439 3599389.762 3856910.049 3789345.49 3935741.872 5226011.623 3878161.624 3746487.725 3919394.098 4136212.705 3882726.4 3786235.061 3486144.817 3683380.595 3946140.529 3736636.439 3585529.746 5148662.309 3754008.259 4126632.772 4063588.853 3563447.677 4097006.59 4187096.06 3941120.37 4620304.343 4355071.46 4449808.022 5151609.165 4070516.198 3971879.685 4275603.353 4036840.686 4038596.786 3896831.295 3887062.202 3837778.687 3908239.748 3840714.098 3728481.831 5104017.131 3878540.138 4288371.64 3921694.327 4421978.927 3758065.179 3886044.605 4936605.509 3767328.864 4489790.607 1492148 2348185 3058190 3524287 3375855.419 3363474.489 3399923.306 3419635.657 3135466.812 3115667.066 3714457.791 N-gammaglutamylmethionine nan nan 403296.5773 nan nan nan nan 389748.7677 325282.597 169388.0135 190878.5635 13647.70105 15608.18775 132806.1118 399485.1214 402777.439 173113.6512 247041.3612 153193.4564 213321.4705 184168.7559 98102.06332 193558.1662 138284.4105 164122.0881 141117.3746 409480.5781 178749.4925 113076.1586 122766.7143 214549.8389 160684 95823.1173 204946.6846 218874.1486 203006.4547 135783.6901 397273.6004 416488.9279 163257.9108 201458.2988 123154.0802 234983.671 128015.2077 160446.712 219360.2272 145978.9226 104514.4744 128238.2543 396859.8947 203256.1049 173802.0724 130516.7768 215461.7814 167988.9871 146589.6111 236994.1964 209263.8208 243014.9774 125295.5754 391555.3696 396591.3777 274310.7708 129688.5031 160143.5914 516482.3605 117295.7352 158604.3373 173820.7045 138762.4076 158813.3722 138172.8439 398734.6647 153111.7221 150377.1882 228127.939 140383.26 201748.9257 134806.0278 405892.6632 370888.2915 nan nan nan nan 300062.8248 279221.5119 122818.4718 121726.2486 8921.845985 9988.399101 416967.2427 monoethylhexyl phthalate 2517661 624039 586641.3552 767478 658908 733512 787679 422461.2447 987827.668 860026.7291 898726.4029 571293.6521 571205.8174 536655.3065 651854.0744 701311.8484 831423.212 655747.199 620022.1674 436756.9494 531361.0035 405513.5959 1008207.301 459728.4071 842077.3051 565990.3644 727791.6138 634473.25 643835.316 504658.9201 602651.7003 487278.8864 512681.0632 640034.4493 685530.7862 734777.1614 630810.17 563600.6525 614464.4576 507653.8027 867773.8388 609078.3197 512938.8843 709524.1823 684438.051 561379.2078 592758.2759 711581.2742 531106.0538 591171.1146 660130.7101 690082.069 413613.6834 967037.2115 856411.0342 931025.6712 671645.1243 610112.4024 530930.8037 620172.5771 617114.075 586164.5001 716409.3812 751885.2803 764585.4284 515890.0839 547716.7818 521365.6336 622353.2659 592441.0648 666028.8398 495030.4699 629173.764 579985.1066 709990.5973 629687.9042 640847.7366 636958.5411 531158.1701 620914.5868 621831.9693 332796 485639 497325 478179 830510.5467 832835.5279 805111.2164 764859.6741 216271.8998 573961.4071 560874.5785 FA(18:2) 91998 29880 156028.5598 31816 38323 44032 36267 145097.0534 143341.9302 131957.0739 159373.5088 94488.71003 104033.0127 129037.9039 182651.0578 133226.26 182477.2731 145203.2748 175476.6484 156144.0133 144708.8565 174958.4435 168606.476 124821.6206 140323.4426 128048.1984 154328.2284 153081.8417 161942.0221 156265.601 126206.7229 153158.5136 628078.4646 132641.7513 160778.9681 149721.3928 455207.104 154095.2282 121960.1279 161096.9527 197385.1864 188415.3283 116753.9527 171830.726 195448.8372 121584.6604 155019.0115 152630.5842 144713.1872 156889.5422 145034.217 162577.2444 198624.2259 173202.8326 158162.1236 141810.6245 143528.2156 150549.5047 116481.0838 143054.1705 162570.0838 146272.3629 184498.168 210997.4673 167607.5867 105456.8299 135326.2465 164629.3405 178689.9948 157011.3606 220622.2904 151538.7209 168987.169 111390.0173 120072.6935 131764.9393 168186.6259 556632.5984 153305.8935 149601.2594 161825.4365 25030 21452 20511 20608 157978.3616 169258.2488 171164.6107 144657.4873 101950.8761 96494.64347 148049.7022 oleamide 89569 153952 78824.79209 222749 298230 101574 74267 305405.5145 321113.7487 140127.2036 130768.4724 3384310.574 3328719.231 49281.44614 74709.00254 66317.18625 61264.5577 95295.12346 77853.47973 168213.0707 56764.11299 64813.14449 101628.3448 50149.52424 33071.09301 53362.38706 69229.17662 153837.3401 65903.66094 63239.89887 78169.26289 66836.24703 396429.724 94987.01775 82015.45916 686481.4729 29151.82 72683.50914 59252.86295 40932.02154 139796.8261 55403.92772 31540.62827 112589.2839 25812.45656 71534.24061 527421.2646 121176.7505 62424.50301 81431.18632 96716.45966 306223.6562 39585.43458 243235.7613 69254.90728 188680.2227 263441.2604 51636.69738 42402.57464 62620.54563 63779.76716 80426.501 126411.5276 69598.51546 30653.20904 82182.25465 479918.905 77005.97039 119171.1154 665190.2153 162929.9953 67836.11955 64650.69342 47893.68514 20457.14345 53037.78389 70739.73152 59687.44358 69831.86711 79081.36734 83964.35138 62090 80099 124099 109284 362297.0932 388827.2648 178142.6362 167877.871 4033015.6 3905782.685 63113.61155 FA(18:1) nan 12965 1657392.798 4126 nan 43429 19154 2190297.872 2293944.347 1656319.22 1679267.71 257502.2727 77537.09984 774349.3929 1790847.45 1678809.737 1769821.676 1478822.223 1971175.947 160983.679 1415452.588 1444741.019 209066.7674 1929565.39 147684.1618 648194.3817 1476067.321 1580188.194 1518525.433 1452243.159 1054293.048 126916.7328 1374640.236 1336965.265 1062971.398 131400.7021 600387.1522 1495098.492 1646171.668 96989.84893 142592.0088 2551468.788 1368131.541 139920.1107 3434602.431 203425.4281 96016.61617 1748587.945 631890.531 1551464.932 161662.5528 1554459.311 153502.6168 2207119.516 171832.0218 181672.9852 2342036.914 158484.9276 1672825.864 702396.659 1791165.182 233754.1 1494790.691 1713956.6 200150.1086 1380940.696 2058086.079 124184.9634 1321456.798 1421731.273 189402.8423 662878.1501 1729282.883 2023102.51 169469.4484 179601.1452 181866.2759 2461783.191 674794.3559 1611398.628 212290.7966 37125 58008 32810 25179 2003837.39 2195983.557 154139.2459 164066.8161 466895.9532 135754.4468 1842314.663 Car(8:1) 3869 227 19505.05049 nan nan 236 nan 26022.28391 28536.36932 20334.16461 23324.90193 5520.057692 5651.607549 10117.60272 21420.87749 25071.23747 22795.89573 18630.46395 17857.04813 87081.12659 24149.14575 11940.09523 13639.58247 19314.18348 15425.59279 8361.711014 21516.62328 30169.208 19694.92952 13357.88108 10785.64173 12951.34461 12709.35477 11725.95951 15856.28838 17622.44084 9070.53997 19712.77799 23051.5246 28956.59131 41834.23511 20852.47912 82079.38463 23577.46913 16055.59188 36683.04641 33755.41414 31427.87859 10489.14905 21828.92499 12654.77127 23136.21961 17800.94627 13602.05012 42794.27044 26349.76731 30362.39964 11656.3848 17742.47967 12284.44247 21543.3833 23576.05021 40515.66675 18823.62859 13292.32446 10541.37897 13379.07437 14043.04634 16557.44026 10995.38083 12217.52092 14870.67975 14372.84978 14579.1734 33685.19134 42198.91176 20016.64815 31202.25109 11426.52115 19703.4433 24270.4421 354 298 105 nan 34201.15912 37652.13306 28464.2644 31514.44592 12768.96576 11207.95392 16783.21463 Car(8:0) 15032 nan 888685.6895 nan nan nan nan 1253148.242 1306939.197 958292.9689 925779.1058 142187.4095 136297.8007 27420.39028 936092.7349 917376.7735 921501.5355 669326.8859 922126.1344 809047.2869 989003.4944 729984.572 1160851.341 1127744.949 806162.6268 843901.5039 916498.9879 1107405.444 1170812.323 1035894.179 587244.793 1276257.854 550877.5364 728411.6311 749415.608 671756.795 826974.6771 70906.91017 904251.0926 839212.4735 1980800.735 748284.6586 1031110.289 1092739.236 1137936.704 663835.7444 594496.51 1152496.86 844629.4432 868434.4043 932928.8828 1607507.372 987073.4291 979876.4165 1028802.575 753237.5556 1119296.316 1061905.417 674632.2207 864782.4325 904621.2265 888603.2824 1170779.966 1034140.803 676225.0427 675782.9674 951616.741 766119.8128 646464.3026 581564.726 783725.662 861285.4536 902519.8669 656740.0548 797374.799 116285.3892 1382475.504 975282.3937 820664.8943 61127.03505 88196.99407 nan nan nan nan 92204.25453 1219852.661 908589.5407 926351.1224 152444.0073 157695.2911 894884.9714 Glu-Phe nan nan 493231.0365 nan nan nan nan 232574.5348 224273.7011 234725.0346 225333.2019 8785.80565 10672.97253 329116.9941 454490.0291 466884.5309 394335.5246 388922.5362 307522.0818 379290.2399 446100.2417 264014.5904 428251.0883 375791.4191 225452.5002 326053.6145 484743.9786 392316.3928 349213.0307 324878.273 309475.2801 268919.2197 214121.9442 302446.9425 334015.8214 346273.6563 320117.4389 480297.5119 468839.7298 453065.7502 566435.8947 287533.7197 437588.0821 326862.0668 301818.6923 389407.4916 287559.6636 278885.4694 315191.3451 494589.1088 331070.4968 410163.8296 335719.3939 393662.8658 402616.3852 319292.332 401236.4865 380317.1632 353430.3615 324319.5914 502720.8641 501469.8186 503355.0836 320572.2443 275388.4517 668484.6853 362278.0067 261765.6055 221589.8909 254846.7818 253467.0068 303041.4232 492583.5099 354625.1078 343865.516 398606.6083 304617.7203 312940.2009 296247.7284 505032.693 537006.854 nan nan nan nan 229411.9016 235323.8693 216777.1735 211489.6428 10653.53999 8295.024684 507093.517 5'-methylthioadenosine nan nan 1382435.483 nan nan nan nan 786815.4544 766702.5519 816547.6811 815187.9818 571319.5333 575302.4574 4486663.434 1399949.266 1392064.542 1184355.117 1165352.687 1117756.205 950242.924 1204452.472 793606.3928 1061012.567 872648.4723 1094546.749 4572416.125 1422578.989 868428.6357 1118540.493 1076192.145 1122489.904 892017.47 717256.3021 659550.9976 795831.3233 1065921.558 4490223.422 1411853.677 1399253.554 836447.0099 1124265.826 658924.2745 947229.3666 990505.5574 767939.7863 1064806.334 966911.4582 882895.1692 4323144.636 1378201.984 928671.7758 802960.0087 887308.2815 907110.0763 961092.9157 1049217.393 859346.7909 987116.2183 1265691.518 4252914.397 1400347.094 1387879.69 841375.3949 871043.0399 1019442.207 852762.9948 982583.762 552484.4249 888122.232 809316.1513 750444.872 4180104.992 1345954.761 1014099.184 1006549.579 1127264.002 858907.4104 850092.6292 4148951.268 1393107.35 1337414.165 nan nan nan nan 805413.2794 801646.5743 848354.4816 823793.8164 581281.5062 592049.0191 1395004.983 sphingosine (C18) 120429 8413 1438757.896 nan 3243 nan nan 844075.7721 927722.4928 641250.0169 656406.8891 113537.8993 117904.5689 3350780.893 1343280.072 1362717.351 1337397.962 1246399.53 1451358.365 1260192.469 1314235.633 1327406.184 1390158.369 1386350.568 1124149.38 3367619.614 1395433.46 1194307.361 1472189.757 1508733.135 1271387.976 1585520.974 1197558.647 1020954.375 1197547.534 1274236.322 3416798.964 1417694.433 1422802.17 1090168.306 1554128.087 1325434.083 1466003.92 1273802.318 1462459.409 1254361.593 1300878.316 1265082.992 3459836.924 1453855.837 1556751.87 1536984.267 1218358.856 1576701.757 1423948.741 1415228.998 1636720.902 1386391.369 1416205.064 3430080.254 1472384.192 1471800.882 1616589.665 1507842.058 1575671.408 1163970.879 1345992.136 1210834.19 1078742.543 1073434.863 1102829.766 3423824.499 1450162.395 1449642.688 1321459.671 1439633.912 1410391.034 1255407.588 3401806.759 1428400.369 1425526.955 nan nan 4125 nan 1030497.133 1036078.399 664655.2749 670897.286 103437.1769 109824.015 1319669.48 Car(9:0) 6685 404 19692.17172 789 608 853 810 25587.10952 28687.43293 19439.99452 20164.37437 3622.479368 3599.214709 22196.4351 19116.73804 18739.4275 21364.553 15835.87294 19622.43442 17537.46353 18597.75131 14623.13924 21172.41275 26400.38792 15058.1238 22204.77378 19761.62301 26394.40831 19626.58583 18294.69019 13260.15781 16531.18669 10903.3347 18035.7307 16713.2616 14844.70611 18426.52164 18414.19406 19104.27871 20110.02135 41014.89938 17569.33581 24041.23095 22356.03447 22211.19349 17012.54273 13421.74729 21217.70399 21094.36452 18828.82287 17004.52975 24902.04659 16824.07248 19499.47779 23622.49011 15321.03016 26096.3181 23081.14718 15991.32799 20990.75892 18954.20024 18679.58569 22924.78091 21464.49836 16868.10686 17473.82083 25353.10304 15878.63815 15134.28182 13173.68723 17057.19405 16670.68457 19070.74281 14832.39868 21630.6532 14202.19227 25581.80389 15596.44417 23176.34457 16200.74199 19931.06942 586 112 140 199 29489.48455 29072.74906 17077.58511 17838.53391 3508.965581 3655.671097 19149.64538 sphinganine (C18) 5449 nan 211555.1487 nan nan nan nan 186503.554 153313.9444 103288.8385 103825.3824 26093.23656 25966.48005 534783.556 205889.006 230110.7478 161317.6149 184797.118 193392.4535 194762.9648 180765.2008 187543.9402 184259.5619 174952.7565 151771.0552 530545.881 205615.6918 160869.0744 162943.9937 183189.922 178969.9677 183818.5287 175773.6132 124786.7082 195218.7141 172338.2746 566705.624 217425.6136 211813.243 163128.1729 230530.5358 223752.9994 207938.8677 169555.2891 179163.498 226973.2353 260381.4523 156445.5486 586130.784 215269.9114 338402.4092 224032.961 173529.4138 192945.7445 167722.6225 194973.9891 295442.6443 219557.3221 250179.2289 564913.8121 236812.6767 217591.8448 245406.2101 193341.7352 244181.838 303859.4477 161766.8929 163158.9948 154824.8959 169777.9979 148206.5015 565783.7547 218320.1007 225170.245 180245.2368 257556.0389 207163.7327 167260.5915 562126.2263 218118.1031 218771.5907 nan nan nan nan 163546.442 171159.9432 118083.5822 112575.8396 26727.11946 26321.92096 210269.6019 MG(14:0_0:0_0:0) 302873 33407 317526.3726 36436 33975 31771 35951 214804.8575 190328.7866 131743.5267 131108.8024 93301.51319 97463.6273 458774.2579 332776.0165 344319.351 239330.5377 162704.76 329021.6211 123970.6647 223694.2011 232516.5524 269865.909 212588.0625 206291.8056 407162.6272 276678.6264 177892.947 454445.2896 259686.4069 186573.9916 314700.2501 402488.1044 170783.8281 205671.4143 225224.1814 382642.2159 280141.0863 285304.8401 247676.9378 369909.2883 202508.8374 136164.5717 223991.524 378416.1 125592.8113 154588.2033 457200.2034 389616.0959 296193.7214 153831.1179 283938.2091 277945.9792 191284.2073 338858.3833 405228.301 161004.4607 143108.7233 138104.0678 378081.139 311505.9413 307794.9331 444487.2916 382260.2334 288682.7704 91911.35046 315110.4512 129132.6571 157195.722 107117.1937 216855.8588 369140.1458 299025.7571 406178.236 145094.7813 176972.1842 230656.6251 234280.8671 371626.3456 284028.2393 299636.5724 19789 22862 26155 21567 158752.706 159752.6479 113026.4695 110047.8175 81925.01765 78273.05885 306623.9688 Car(8:0-OH) nan nan 789515.9558 nan nan nan nan 576955.0166 603430.4656 554602.097 533131.838 51792.05693 49919.88888 374648.1699 780666.8125 760928.0224 2372952.193 1032889.116 228595.3152 14595.39005 1646640.902 228215.6692 1132975.734 47804.0242 162822.4257 374427.9305 796499.2719 51233.67458 29623.56278 29393.65428 366379.4567 301632.0845 165993.9359 265354.0118 340958.5931 355145.6783 370553.2627 16961.84365 780803.9515 28354.83245 134995.6717 160850.7574 21592.09913 57328.86633 461483.572 340209.7488 214929.209 1812888.437 363082.5288 794628.3796 185240.1133 2110730.495 1062834.758 1299552.726 1315633.962 353556.2319 176828.1806 1322618.92 185134.2244 366007.641 797758.3292 771940.9387 1159403.916 34873.18735 433358.2356 281095.1591 639897.9099 214214.1905 261105.9317 201633.9245 179498.5589 372435.015 794118.1229 222217.4856 1357704.886 306161.7851 77885.38263 197968.106 373567.8116 780216.743 792706.7897 nan nan nan nan 608551.9303 588959.3065 539333.4235 541644.6041 49548.79959 50637.62735 780509.7408 dUMP 102 234 16877.77037 nan 116 201 107 15048.61598 14014.02445 25604.64809 22260.88871 445046.9326 435420.3906 10559.22668 14275.70195 13359.52197 27928.81235 16711.54322 16547.74969 50835.05669 56946.46469 20498.58432 44720.0937 12862.50035 16957.11251 12027.44884 16218.97693 21768.24083 15044.89432 50949.1549 25937.99172 24932.19375 91380.50588 16543.56805 27228.16393 40646.33932 39600.52692 15850.68016 15304.58707 25787.49893 12056.76554 13732.72982 16563.55451 20456.39071 27522.95605 15450.78993 18457.60808 16997.8129 14964.25388 18573.06026 58756.54188 11000.62389 18747.64282 27731.07834 12800.48781 23426.89068 12628.84297 25282.64266 25690.68307 12682.1911 14969.78532 14796.81718 23805.8015 16050.42028 13138.04249 22138.46567 11325.90076 16191.91313 18964.53901 20111.9821 26164.45565 13923.45114 15443.50752 9765.925541 10769.64494 17595.26185 11342.76283 50070.16761 11043.81577 13108.3271 13787.78184 669 197 nan nan 12354.55839 11428.16335 20814.90757 20775.33845 375545.9427 382155.5173 17072.92301 N-acetylneuraminate 385 369 44795.75675 nan nan 127 308 35695.19533 48386.3046 34065.2086 47072.72453 10647.86362 10154.51849 23924.11536 35483.02889 51709.56411 36768.86391 63433.69012 54216.72641 68319.67509 98870.6749 34422.80636 41288.24635 43113.03326 58206.96964 28735.67274 43034.53484 34799.26348 67685.57739 39082.53387 32686.16771 47422.24789 51075.20771 55997.66133 62861.20259 52762.91405 20784.97244 45122.92046 38818.42211 54066.60884 50538.64584 34149.42768 46351.64844 62614.86087 51647.61186 59249.4766 50569.76474 40275.54716 45942.09602 39897.2531 71736.14605 47544.19886 40770.13209 46020.67651 42074.89039 39622.67761 40947.76504 43673.80469 41985.49074 21641.99168 41102.46123 41528.80151 34926.16924 48643.10332 61461.31976 56479.05814 49231.87045 51249.9637 43986.51629 51614.92341 54090.15505 49257.49827 43473.02262 76203.86481 49697.88206 54787.77457 59724.1621 53481.91059 30803.01505 58319.55304 33407.85422 nan 375 nan nan 40741.89582 25322.31901 40782.75632 45000.62874 8472.409823 8275.432827 43834.47011 gamma-glutamyltyrosine nan nan 202966.7141 nan nan nan nan 114470.6571 116332.6157 62070.45269 86129.67286 5185.271202 4295.362305 785765.5286 194115.5403 191781.2704 164787.641 185788.7061 160575.3593 172294.0546 178868.6736 86584.18058 215941.2242 138942.5148 92911.16456 760330.3982 205697.3909 141644.1581 153448.0183 143677.3334 158327.3488 118862.2275 76117.46757 115771.2706 99161.80662 174587.7454 767047.3379 200330.146 198689.1527 144342.4049 260652.5395 103364.3839 186036.4248 106273.8036 118914.2815 173340.3405 138722.7022 101786.7447 759926.2268 201542.1638 160663.3157 149190.6783 96043.93873 180424.46 170000.4904 142235.9045 204030.8219 199257.5123 169748.1626 775687.7377 208701.0061 208937.6294 204923.6359 129750.9679 134451.7307 291030.6659 183348.7829 60530.69392 82830.56489 68056.47785 95951.99726 781130.3403 205466.5157 150913.6058 147183.1935 175336.4957 131217.5901 132728.7554 788932.7208 209456.7881 15960.95061 nan nan nan nan 129239.3782 131788.2399 68355.23199 72498.17213 8603.98705 3152.493086 210546.1521 benzylbutylphthalate 3848509 797856 685230.8085 792577 814131 925575 931985 329557.7757 376341.5446 438564.7719 423920.7822 1102116.962 1090841.25 763418.1088 646918.9212 683243.0725 908858.4994 627688.2488 837821.0566 769590.6522 845998.8381 936516.7766 734844.3822 874945.7983 829853.3127 853960.0668 600386.7191 794378.8937 819655.2722 925392.1453 1034260.297 636027.8143 966635.7131 14535735.6 867253.185 1176752.061 730027.4651 707950.183 588861.5829 886976.819 921556.9733 18260493.2 747967.909 1100450.738 861889.4245 9468943.77 863488.2492 933035.0303 776053.7563 740889.26 985020.7359 968365.2841 931834.327 920660.3108 821313.2822 919684.5116 1075512.59 926864.9095 915143.3099 680800.4933 662122.1015 723377.0258 751852.6024 924879.3939 7837213.339 872296.7425 832624.1211 910574.6689 964083.647 870527.8297 1111939.302 837650.8205 709532.8604 1005564.626 989496.191 948903.3618 1274444.061 7952242.395 859215.7929 782483.8272 701978.4476 354772 475546 447124 475037 584878.4048 656056.8569 654126.6114 616064.734 1513046.388 1554204.676 747683.1843 Phe-Phe nan nan 31778.07133 nan nan 46202 44332 31458.81382 58398.54465 55401.6145 63049.46869 59822.75134 nan 11003.85544 28471.23547 32924.21978 125902.6012 76580.76764 79029.71975 76759.10027 44813.33318 43314.03393 87760.73288 112993.2526 64310.20206 10471.1546 28625.34746 85480.77587 178197.8115 114475.1888 68595.72302 56334.93187 38714.90508 65072.2665 31932.62482 56872.67556 10380.66875 26121.59356 28313.70355 52924.99186 82358.37041 29023.98398 57419.99233 85266.46598 146621.5574 81553.43739 49365.96516 74322.87679 11570.03155 23394.34375 48155.82851 89248.37258 41610.78861 78607.32583 48095.03794 46884.66047 66374.16397 125809.4661 66691.50027 11336.279 23991.81723 25039.16664 24117.8633 73928.27507 79530.4242 39744.44562 129627.3926 56527.69086 53890.42866 63022.34247 36703.36878 11127.89 22696.68098 24702.62185 116843.5156 40225.14735 97129.64223 68097.04025 12210.85706 23450.12922 19414.67869 37383 41310 nan nan 44026.79519 49284.42042 71127.83854 77315.21006 79529.05114 75660.75803 30354.48827 Car(10:1) 10180 1243 112892.9482 535 681 659 649 138320.2766 135386.6942 86493.89329 89759.22801 51245.36997 50354.81152 106510.3387 104654.8565 113093.5017 116676.0768 92990.51577 117361.6541 112012.8251 106769.5782 98616.81957 120070.2454 110439.7877 93152.67056 103336.7533 105707.5142 128478.7266 104692.4036 155045.6028 104699.5859 156776.6281 105304.3502 121183.6585 105191.657 100809.9065 110923.3116 114595.7526 112805.2609 95941.61293 214159.3049 62509.4418 131824.8715 146707.8567 127533.9339 104474.0712 97562.51015 146507.1013 108950.9863 113703.3393 123315.9698 117479.6426 101427.7978 101470.1987 121437.6651 113696.1976 87710.3644 113894.9584 93670.87959 111897.9594 109335.8477 114282.9199 140508.022 98957.91038 98123.46743 112235.2108 113282.5606 85976.59522 104190.6824 83961.64917 127365.516 115418.7299 114358.3406 93081.26823 121287.3161 91729.93041 127606.0713 105339.4796 114058.4271 117285.5266 109513.2615 766 675 591 110 144551.1908 138768.1938 97650.38166 97148.26162 52948.74376 49615.97825 116185.1 Car(10:0) 4709 nan 926619.3594 nan nan nan nan 1214624.521 1259651.055 794290.3279 788443.7688 160502.7101 168985.4962 955246.5546 910532.6208 926666.861 639706.5262 702306.5417 1242816.817 512522.448 876365.5954 1075684.992 862911.2364 942435.7156 1069577.122 960314.6851 917115.4067 892108.7517 790758.1103 873038.7634 721609.3731 1612620.196 809333.3412 1005779.525 1099128.596 880393.949 948057.3665 893492.8273 910266.9898 633946.5379 1679321.651 1383313.249 777898.1336 1111607.347 912451.6207 777060.6053 687418.8983 1025629.54 975043.8485 908079.4877 1163183.9 1116386.491 702115.355 658447.287 840236.492 855547.9742 1333584.621 744207.4886 874197.0795 947486.1907 891852.199 903484.3074 1015828.224 714873.8 786868.6305 1004492.666 768465.8433 929734.0691 910334.8448 746775.0478 1175087.083 979318.0612 905216.446 708134.6547 754736.4298 685396.1989 1087427.933 1244092.213 977028.532 906046.2985 912138.2112 nan nan nan nan 1269702.184 1292245.181 792378.0167 783100.641 165669.7645 165400.5241 902251.734 Car(11:0) 7446 947 29077.8464 472 708 1168 772 13785.71749 18917.15986 23317.33083 31924.52203 7388.287269 9934.548025 31692.45306 26357.23649 22593.55529 24651.03953 22313.19582 24265.23922 21360.68114 25664.96704 41881.36509 24788.60012 26348.7284 26179.90584 33684.15601 30671.75162 31944.07404 29105.02864 34055.79459 19801.73052 38339.89279 88211.72125 30584.0176 33452.84971 22092.59545 120092.2844 31260.5149 28209.06402 23984.92941 58433.37686 36985.5866 27248.87328 34696.79192 31121.75602 22504.91289 23323.17902 34955.2817 32995.63643 31366.29582 28712.74377 34774.1998 32808.64299 26793.89028 25561.38649 24733.83019 33848.96211 29186.63501 26051.32196 29114.30193 31599.57503 25748.34915 33037.35163 33731.77228 26655.34381 29534.15645 28333.67975 33950.4823 34032.38793 32268.18387 46994.86175 34489.39628 30163.85175 21993.5001 25493.99562 22151.29905 27762.61871 122102.1882 37129.76301 29454.01675 32173.76055 960 1719 1655 988 31267.0224 37341.62799 33475.5468 33780.47853 8659.596266 9729.499125 27765.45316 MG(16:0_0:0_0:0) 418598 109694 2351448.939 134260 133506 145170 136325 1731192.333 1640368.82 1092139.3 1062466.084 938062.7047 952722.0176 4196033.398 2494131.969 2507922.282 1820411.047 1427884.123 2628598.293 942315.7177 1790880.902 2675157.372 2181509.157 2098376.862 1656575.205 3871493.133 2268915.251 1766910.093 3122471.463 1914426.981 1283461.853 2578775.689 2409990.514 1284592.107 1756689.385 1545102.795 4143057.755 2496832.609 2270645.451 1773975.402 2899665.633 2351713.861 1208410.905 1960757.382 3124022.533 1139890.969 1311136.342 3708467.197 4297982.64 2657122.116 1640585.74 2623721.2 2344395.603 1725455.363 2827787.907 2945611.864 1965218.838 1422968.336 1636865.781 4132124.45 2575892.397 2608232.662 3095323.077 2951785.308 2061211.798 1105985.536 2615364.724 1419678.619 1625320.278 1208608.157 1898113.824 4199019.796 2590084.827 3210284.518 1300513.69 1587338.836 2244952.908 2650835.152 4058849.657 2574882.962 2590571.109 114993 131149 165601 129049 1761429.829 1697283.971 1139611.986 1121922.483 1024670.68 1006311.641 2640708.718 Car(10:0-OH) 6444 503 75227.98991 103 368 542 294 118439.5758 118699.5723 72342.60013 72976.89276 41185.2571 40468.23007 79869.26463 79429.64471 74167.19575 84976.65192 70710.48625 83758.28246 58767.28748 86929.56972 76624.74047 83855.84464 86075.26685 59014.10591 84235.82513 77275.19466 81639.89703 81536.5339 108877.1427 54178.07878 86886.67176 51924.42771 79151.38801 87690.46 66020.99675 81895.02244 78299.50548 70963.5603 72305.51369 159257.8528 60126.32438 80425.40757 121835.036 69219.8313 61601.16627 53661.3509 107217.4055 83473.66788 77903.47939 78460.11211 105821.9974 82554.40507 72046.84084 90779.00118 88704.28043 67060.42726 73631.71727 67026.77605 83460.16024 77711.61318 74399.06068 92332.68365 83895.34644 68979.59876 80273.93007 73131.28876 56724.58465 70581.58106 59663.72932 77435.7079 85190.83172 76933.14795 55254.4552 82383.24626 54308.59186 109242.9079 66601.46649 90576.94394 77083.83412 78063.97949 797 588 222 nan 124525.778 119991.7073 77604.58627 78022.89852 42610.25107 42208.09951 76682.77286 Car(12:1) 6916 nan 434503.1653 nan nan nan nan 210923.4193 404946.9042 283158.0957 289322.8997 88345.85285 91266.46871 218834.521 407313.5769 405330.8424 332683.0212 366378.7376 551102.4835 265983.4008 444315.703 557837.7341 341471.8177 465751.1029 458270.7506 491946.247 439988.2943 442576.0117 371173.2085 381326.0027 359321.7959 583659.6313 380514.5113 503076.3485 583133.9767 396696.8218 238321.7439 414722.5528 413778.9407 348612.6706 897503.039 499103.8735 355714.0273 577790.308 344566.0643 366829.5083 422987.9022 566189.9704 256417.8319 420104.1888 391371.3911 509822.016 328318.639 277980.1522 398463.2799 392476.1314 459822.457 332076.3878 396733.1116 465075.0842 425207.9024 423673.2003 519719.1495 304833.873 360055.013 547319.1849 332566.7867 387871.1398 502056.0795 362543.4847 533181.6667 480312.6051 426723.3992 309167.3393 403711.1251 459153.2832 546780.3574 503479.2662 222286.9897 421414.371 425748.2343 nan nan nan nan 630713.6159 692780.4229 366212.9836 396349.7447 95164.01449 91588.95145 425167.1102 Car(12:0) nan nan 3395790.637 nan nan nan nan 2409026.286 2728434.393 2141591.038 2181369.031 329739.6831 340431.234 3327886.044 3283507.523 3243279.241 2340943.923 2708273.626 4750737.979 1831587.776 3355477.432 4534744.112 3174759.715 3535668.06 4390732.453 3539472.747 3470063.925 3375652.243 3303902.358 3151474.736 2840455.766 6160197.654 3663357.519 4038206.977 4644420.984 3509817.302 3476287.552 3388023.647 3320594.57 2360994.174 6219747.119 4297652.129 3234681.549 4242367.503 3368622.484 3191570.579 2958897.708 4100848.34 3477488.943 3394388.006 4577129.681 3754672.06 2559678.985 2271287.895 3444506.889 3549326.782 4115279.932 2630055.106 3742883.429 3364385.577 3361490.102 3292158.91 3711662.826 2526366.615 3017453.384 4092446.967 3279007.613 3632306.442 3660791.195 3086117.986 4763918.687 3326939.386 3372217.386 2883868.66 3091409.955 2766265.74 3940340.687 4856416.903 3422802.675 3436790.924 3353628.379 nan nan nan nan 3033648.78 3256707.401 2358662.982 2343499.169 344344.3219 353381.6401 3351190.494 Phe-Trp nan 10417 28446.2593 nan nan 8704 9705 24849.00345 22351.54095 20442.23586 21764.23887 nan nan 8275.621084 29629.9193 28518.44715 52077.31927 32229.01152 37202.17337 38719.64153 27552.74131 19437.06896 34544.05612 44771.95624 9444.663793 8201.347945 28500.85959 43829.14245 35783.62012 29385.40544 34379.71037 30421.99624 20191.27735 29170.24528 21725.551 30638.83947 8335.381316 31389.44104 30402.75679 37625.41025 60816.78832 13142.45314 38143.83748 42437.09009 50832.71214 46709.89653 34976.223 41906.61982 7948.533439 31933.41476 30485.79842 37141.443 28949.94186 37403.26163 43031.34216 28606.63386 36007.7728 42641.37662 42124.5058 8197.09787 37010.76521 33203.44051 29230.49132 34430.17836 28606.00371 38369.23996 31264.66337 22797.77823 26045.31033 28611.04728 24377.67619 8308.945795 31713.00783 25839.01789 64474.12566 50456.48967 51902.75202 36832.88103 8770.620431 33437.20134 29065.71194 8739 9036 6687 nan 29329.10178 29066.42367 22750.84604 13609.24123 nan 12313.34436 33330.35482 MG(18:1_0:0_0:0) 200546 25524 8870310.58 37145 39421 46051 41975 3361341.144 3484617.079 2002009.946 2010027.682 1748552.119 1753821.927 9181733.952 8712224.689 8631733.129 8690055.928 4136733.6 8958943.119 2226968.219 6941390.228 4510475.355 8677014.589 6040091.975 5391217.61 9003650.322 8425519.384 5722763.862 16278141.93 8250397.992 3799691.745 5569260.106 9823813.532 3165551.359 3500235.227 5480242.249 8708526.358 8448672.938 8535112.172 5334772.286 9434104.509 3108761.818 2079718.622 6817067.219 12528509.65 1453280.584 2911613.751 13188413.48 9056174.219 8991311.391 2220598.968 8374625.825 9528751.054 6667772.947 11037787.76 9464823.498 2551986.608 2901310.593 1676982.253 8930561.399 9035472.282 9157941.896 13580284.07 12016330.82 8579434.66 464722.7324 10044350.02 1804271.272 3807693.637 1788847.722 5409231.609 9021289.049 9175659.601 10271204.18 3140914.425 3544282.355 6876744 5414455.007 8898476.654 8955282.825 9335979.47 50140 33527 40504 40182 3944582.415 4060818.861 2354658.37 2311398.144 2010155.102 1968951.781 9221045.593 cortisol 15897 nan 27170.34896 nan nan nan nan 42390.09747 45758.10925 68578.37651 60293.49591 7973.697109 5975.965167 17504.46654 32401.15069 36139.49138 22060.91178 5186.660574 27091.20427 25427.60261 22150.34513 54265.64704 21704.44934 32343.44633 23719.28498 17481.80564 27804.66718 28805.33541 4734.866065 19524.9531 37809.85641 30913.18438 29789.61325 853628.2436 76135.63423 22734.0226 15463.8065 36967.32149 27453.71528 18038.33616 32967.14609 133413.1358 28664.82408 16277.21791 17129.31544 283447.903 40798.77413 17862.76741 16775.18552 23103.14497 37227.65114 21405.75769 10785.16603 24062.59476 13871.32707 46396.05991 26468.69639 17574.72132 31377.66478 17112.39322 34522.2116 33289.29331 11219.80829 17256.87197 320689.7112 66082.46825 19988.51043 50000.6168 94489.75011 81900.56686 66288.11505 17982.09893 28979.43352 51424.14891 16600.56689 50583.16996 20188.06566 266920.2879 17784.17379 38554.94571 29396.15592 nan nan nan nan 39136.53041 43807.23134 67807.00154 67346.82411 9290.925827 8718.734051 36445.0977 GMP nan nan 1775234.998 nan nan nan nan 1924377.866 2002858.759 1889470.739 1893986.052 nan nan 1430294.354 1786984.985 1671061.204 1970313.294 1699698.12 1915382.01 1904284.612 1833671.761 1666580.952 2039248.852 1839872.573 1981649.181 903615.3625 1680252.826 1830813.87 2088240.449 1749551.123 1701386.173 1979659.134 1563125.261 1641214.593 1677263.338 1708217.913 1433150.059 1736904.125 1671183.436 1662783.006 2099120.657 2049591.187 1973979.694 1765917.576 2386116.332 1717195.089 1710643.757 1746059.985 1409027.008 1699060.509 1970404.392 2011188.784 1865742.087 1958893.735 2039211.768 1789638.333 2004104.186 1973234.791 1557603.906 1401336.321 1708376.722 1704737.046 1994216.415 1725669.636 1774751.422 1477984.712 2096994.204 1732819.875 1378191.011 1661722.695 1692467.474 1542238.944 1730531.327 1762989.168 1734648.624 1488609.507 2025183.879 1869649.015 1483794.187 1629753.583 1720845.239 nan nan nan nan 1949249.902 1794955.36 1828502.651 1813353.34 nan 8310.310356 1608727.845 Car(14:2) 6045 7636 1220497.727 nan 8634 6508 6351 1272439.196 1246395.997 942439.6992 945847.3244 236977.1673 237377.9219 1209063.47 1193679.899 1188356.153 857030.3018 1063761.672 1438450.832 750645.4461 1135563.553 1542592.714 1130745.779 1230669.827 1145152.441 1200318.11 1178324.23 1180429.516 1084019.557 1169422.568 995632.1174 1768386.8 1138305.821 1408906.35 1408616.208 1013847.35 1195430.185 1164250.678 1160706.848 809086.7105 2054745.592 1049717.112 1087308.875 1423784.953 1044567.356 1043573.834 943560.4085 1510968.932 1241788.314 1155636.914 1217512.969 1310635.252 858744.1473 823026.5001 1207821.153 1097293.909 1150786.372 905824.9511 1093346.085 1265131.975 1187471.232 1149950.642 1443749.317 811911.4673 991693.4862 1450239.31 917499.7961 1126700.899 1344101.526 760173.6884 1529998.451 1290912.037 1167863.931 943545.5227 1067056.704 1035568.843 1462035.907 1457556.235 1272460.711 1160592.627 1160326.045 nan nan nan nan 1239407.956 1177575.101 890409.9083 915346.5658 221534.9292 214701.154 1175441.828 cholesterol 28183 4572 1410372.441 29036 nan 11807 13098 1504991.174 1527319.856 1458613.515 1424169.292 1312460.388 1234542.653 1180815.466 1453882.895 1390575.053 1434908.367 1366388.814 1572327.052 1266440.611 1386736.816 1576856.488 1414578.989 1469901.025 1419973.172 1062623.299 1384295.502 1430111.326 1352218.843 1243903.178 1468475.001 1511075.905 1381217.472 1715109.596 1555184.754 1538362.404 1084706.062 1347508.518 1336645.388 1409985.371 1537674.302 1294682.248 1398477.916 1487028.202 1521813.933 1503965.49 1614856.077 1496292.968 1147357.47 1382622.205 1462821.056 1302892.973 1409255.881 1481039.674 1403402.629 1561499.729 1403220.21 1427588.753 1503949.493 1136911.826 1441068.056 1450826.066 1221424.667 1392360.388 1563961.822 1598451.827 1444790.727 1544710.855 1571768.968 1598172.234 1758582.157 1136348.658 1288693.411 1808741.705 1328492.418 1432016.623 1329612.087 1429732.332 1192114.218 1357456.121 1347079.758 18752 24969 29305 7008 1284973.834 1333189.153 1423083.172 1294708.082 1431189.666 1425482.916 1393504.924 Car(14:1) 26884 2237 3863320.457 3363 2348 3664 3154 3796441.285 3846021.768 2441855.583 2463882.856 625254.2134 626820.0797 4351679.486 3856927.216 3927406.016 2505168.544 3032466.271 5147272.866 1893172.486 3610038.067 5739894.797 3428694.327 3559747.671 4145240.256 4350302.233 3777023.59 3476580.722 3108319.879 3757494.375 3054990.354 7080835.763 4105207.785 4583525.98 5588810.289 3170660.962 4364091.993 3783942.817 3796014.195 2328788.57 7410633.157 4129151.293 3228653.453 4795060.694 3381929.852 3564292.959 3135329.471 4713289.476 4424097.396 3868897.811 4752124.058 4409975.652 2665845.037 2190934.883 3655483.615 3725748.941 3969940.581 2658627.849 4377733.906 4478727.927 3879766.027 3883231.464 4309009.933 2691256.237 3195606.89 5215313.311 3107894.703 4412192.648 4545060.352 3428444.773 5383838.295 4562884.5 3854163.857 3062016.392 3181696.032 3417491.342 4459944.638 4978871.1 4510429.753 3881702.967 3846015.161 3564 4706 2946 3049 3975774.483 3842333.828 2461584.315 2459368.189 621473.123 605564.3103 3821233.73 Car(14:0) 7568 nan 10926475.65 7335 nan nan nan 11003837.33 11032272.6 8217426.928 8187997.189 1238827.769 1242918.03 12310710.88 11222396.64 11264820.14 6916794.485 8645531.717 152418.5532 5875886.432 10955405.65 14062502.52 11225028.14 11312762.02 14227927.08 12213387.39 11062962.26 98703.79471 9536494.686 9007101.357 9162547.108 18732048.74 12328794.66 13006371.17 13128458.29 11484344.41 12335087.39 11228439.49 11175576.94 7904362.317 19476348.07 14344747.17 9890058.852 12443255.59 11867274.46 10363570.65 9569436.414 13045675.62 12540508.58 11399345.01 16867143.78 11938748.25 7798246.097 7739254.13 11302577.82 11009364.49 13871157.47 8432757.191 13111210.28 12608305.09 11630689.2 11510784.19 13514710.39 8100400.701 9948995.176 13783009.77 9486799.79 13809447.11 12045349.46 10237288.72 15544929.17 12897668 11438660.69 9712717.217 9395595.023 9266692.209 12712517.8 16881488.71 12900304.42 11594302.61 11419966.68 nan 4511 nan 3466 11229602.58 11035409.67 8315814.889 8324234.751 1282602.755 1251650.098 11411665.5 sphingosine-1P (C18) 46029 18892 563928.1104 40628 16244 11971 13893 424861.3261 476829.0134 409308.594 410725.8451 273321.3663 269382.2852 282669.3955 512945.1799 438380.531 363599.1632 531155.8104 426322.4635 630134.739 516783.4696 971750.3049 624022.1478 594193.6946 337777.9294 252277.2101 494522.8161 385085.7013 435058.4162 545713.7344 510476.3764 430640.7114 576603.9677 948225.636 917988.4104 461600.2188 264312.5545 464562.1673 536155.0771 645509.9506 734964.0614 571205.3675 567536.4584 716654.5035 306329.1682 644093.0578 551194.37 599477.9442 293821.0831 527323.3189 479522.6034 675778.1983 620707.9657 481415.0003 530501.533 531166.9164 419558.9531 543500.4154 679685.1983 284968.732 556208.7844 550438.8149 593910.3693 595925.7258 476567.7082 594157.7215 543218.0313 632172.228 841606.4978 821861.6332 770006.7656 281939.5748 533024.3871 419579.3294 564020.0743 539234.7825 556310.1872 409296.9641 267503.1279 491856.2239 516335.7096 40952 23955 17725 11426 496659.6157 544047.7015 494257.5208 458756.9973 303174.7811 294565.4222 488664.5595 25-hydroxy-cholesterol 25599 19931 269076.1103 30047 20508 28292 31481 396788.1744 333073.301 318700.6612 305619.9576 123621.1854 111517.7233 418639.0013 304092.3602 308142.4743 282803.1576 319497.7084 297841.3981 283758.4218 295052.7731 285287.623 301839.7788 283049.0711 267917.772 354741.8955 276914.5709 257549.9864 288897.681 261250.0089 268071.612 282897.0652 246092.4725 245059.3139 235938.6857 248389.8577 287686.1233 241379.1983 247694.944 240091.5109 265836.5569 257294.5277 268575.3068 256759.7065 252402.6524 266876.1623 254756.3554 262253.5806 274891.978 284898.8323 257635.8013 251920.6594 221709.9394 297029.7255 323160.2038 283986.0675 300656.5226 275812.3803 330060.2295 365306.5981 306941.9552 230437.4836 319045.5281 281027.9505 311340.1892 315248.5776 226418.6616 305253.0773 283373.6994 280274.6696 282143.3966 412431.9224 273599.9982 316257.0335 282085.0179 315987.1441 298931.7748 226750.0701 377264.1155 286996.045 296706.182 29170 36155 43881 26017 262794.1756 227830.8668 313986.8222 291278.977 93146.33023 85171.66174 238518.5551 bis(2-ethylhexyl)phthalate 174199 83068 1628494.425 121055 113813 336479 287531 2499072.539 1722579.721 1514817.294 1484178.806 2114245.628 2125868.971 2397604.864 1695092.744 1699438.71 1506217.11 1397334.28 1692271.479 1704371.184 1665923.235 1722785.644 1496562.777 1314666.701 1454887.052 2299280.296 1615763.094 1404042.417 1520521.764 1404565.851 1274256.141 1432809.395 1071578.912 1237206.34 1774078.608 1391527.219 2224745.447 1593973.57 1601862.695 1453309.636 1311958.043 1922579.035 1951454.491 1442689.796 1623268.163 1905788.015 1439485.767 1724642.578 2276844.613 1631962.601 1511677.89 1624250.425 1352490.567 1634587.85 1669699.038 1525966.49 1752181.86 1947695.767 1839903.746 2315406.417 1713487.025 1691949.767 1613539.835 1780199.217 1598451.731 1907304.922 2121122.703 1492810.237 1571497.249 1733601.592 1725152.905 2394959.828 1694458.392 1746407.965 1932580.967 1721819.72 2226906.934 1474363.511 2407613.276 1648489.809 1708848.29 1183493 213707 180425 80928 1675873.575 1732525.497 1643488.001 1603784.637 2205815.427 2161602.153 1709549.979 deoxycholate 199254 8247 31535.05101 12311 9215 10154 6239 24446.4633 18014.20608 32193.68001 34234.53294 92343.02247 98973.99027 33770.00239 31777.24726 31726.73345 12325.65607 7004.34181 18593.3055 6955.141307 4025.294249 133486.3946 10022.60786 13971.51631 21798.1634 34545.3297 30433.41973 9847.424632 7439.370478 8265.093818 7104.78964 46741.6239 8716.270039 151830.8967 325471.3986 8930.293137 30859.12362 24436.48642 27456.26012 12104.42797 124112.7729 9716.740988 10729.73938 12006.50016 10747.34887 24719.39133 8118.716405 10908.28401 31065.83505 29286.21079 11573.47985 11006.43967 13724.27638 22689.19175 6707.243377 13499.7016 12697.50454 15595.06744 8725.176327 29819.50814 27752.19707 27925.35383 12280.9976 18332.49159 23803.40845 15902.49825 18762.17121 8876.086958 135874.0274 77407.69593 75487.19651 36079.75685 33849.67993 72279.15699 10503.90754 97323.26117 9724.102485 10967.59655 31166.42576 36984.9259 28704.43756 4635 3996 3612 5084 26355.07993 24363.25734 35453.65902 34194.36142 126764.936 129735.8892 28640.98865 Car(16:3) nan nan 486396.669 nan nan nan nan 350309.3694 383052.8302 380896.7282 390022.871 76594.92853 69239.82612 447490.1419 486664.6727 506159.2437 426549.5047 418958.9676 608672.6526 316771.2097 475370.8651 556944.1443 572236.3992 532243.8501 527947.2905 463436.3546 484288.3404 544060.4311 410983.6482 582112.4657 409636.995 899124.2251 611448.6604 654826.7504 589314.2345 441290.1263 474843.0252 502724.1699 514362.7609 338153.2937 1042932.185 400812.8522 561706.4114 634769.7302 772619.8401 431999.8033 421203.0173 670512.3421 472922.7537 520569.3915 662845.431 545842.6932 423040.6472 462332.1705 634711.136 589399.5919 505417.7083 456160.2286 426244.5282 487905.8577 509999.6909 511569.9362 577702.6363 356909.4914 452502.5241 535329.9717 609324.1526 538374.6683 524069.1897 396298.1324 673560.9067 489359.6486 520594.8174 469620.9193 459516.5634 348334.0717 471275.0123 601097.9827 486302.5525 506305.1001 498911.0864 nan nan nan nan 415787.7068 392167.6267 384636.2524 381999.216 79719.82248 87406.243 518134.1573 Car(16:2) 5714 nan 3539438.36 nan nan nan nan 4192572.225 4434453.793 3218562.524 3284188.347 444385.4506 441801.6635 3208194.89 3561868.918 3570706.432 2542446.585 3045334.813 4430194.129 2289873.769 3390655.644 4673628.54 3491792.963 3950406.406 3924582.499 3158541.358 3413755.206 3646151.826 3456259.069 3079220.84 2876609.782 5224921.021 3705954.219 3938476.26 3881082.477 3078846.861 3096419.602 3453838.988 3434980.245 2423593.961 5780817.874 3723320.762 3145469.555 3864894.379 3437730.812 2930749.784 2818413.365 4088393.772 3128138.023 3469914.541 4265213.652 4067333.713 2393027.862 2752476.166 3450490.724 2849189.522 3651253.037 3036309.553 3211478.663 3143572.925 3532176.502 3494840.224 4660979.324 2299715.491 2846172.863 4397429.843 3002438.724 3775685.8 3555572.175 2940863.979 4644956.756 3180790.765 3474412.176 2745379.951 3001303.001 2731541.278 4679018.463 4771350.243 3193412.878 3504713.716 3442812.954 nan nan nan nan 4531358.984 4448702.389 3168290.613 3196817.683 444119.6789 443088.2446 3491124.041 Car(16:1) 28531 nan 7275354.564 9234 nan nan 3653 9578679.083 9626747.474 5545144.368 5521476.436 1119725.336 1106275.476 9686111.033 7035406.926 7117719.89 3808661.472 4661782.19 11614441.28 3091259.968 5746469.464 11165990.82 6187170.281 6443257.332 10551481.8 9766176.299 7201713.863 5982606.764 5681334.146 4911410.056 5893216.909 16114237.32 9145449.812 8542835.402 9959680.974 6861852.89 9691185.666 7111610.409 7183014.629 4017273.594 12668279.61 9174834.416 5222310.216 7090701.205 7560491.787 6604298.37 6279676.279 8065946.5 9880513.867 7224630.428 12322282.88 7233203.467 4490389.06 4659791.715 6050916.626 6825991.206 9019451.815 5287081.36 9306856.34 9995619.581 7440028.281 7394451.328 8017443.055 4475803.014 6500809.642 9444517.185 6078245.59 10938606.05 8399948.15 7110831.595 10958748.46 10049134.28 7357941.757 7065111.066 4931906.973 6713595.337 8345997.053 11352840.35 10208490.06 7513553.375 7376009.977 nan 3903 nan nan 9946702.884 9680936.378 5607964.087 5618581.717 1098626.865 1094443.76 7531005.395 Car(16:0) 88466 6300 29425593.47 65148 22031 nan 11362 34482196.39 32724012.6 27154944.52 26805155.25 4491757.352 4470621.673 30017633.47 30808099.02 31358427.43 22199886.75 24586668.86 38903824.8 21169632.13 29294272.37 34872385.95 31708394.44 30026561.85 36849326.99 29857784.02 30884089.29 29882002.73 29152949.67 26014402.36 27358321.71 46044608.66 33489233.36 34655417.63 33986972.82 31291643.21 30527931.08 31033745.64 31217804.05 25202717.63 47722639.63 37275342.62 29275799 31085530.43 35710052.97 29392760.97 28560810.9 33346624.27 30660496.46 31955688.23 43204779.54 31970814.75 25250943.94 26091877.33 31992491.87 30381344.98 36201111.71 26947934.44 34243754.36 30352217.35 31192898.94 31390747.41 33818542.01 25990434.67 28857357.76 32510077.96 27747159.19 37137401.81 30162034.53 30004076.05 36205031.47 30429890.38 31127811.94 30855346.97 26516278.53 27114941.81 33237071.75 40465996.25 30442366 31467352.39 31418764.23 18506 18108 22414 nan nan 31841701.21 nan nan 4501982.903 4450193.155 32039482.84 Car(18:2) 3434 nan 19069575.01 28431 11798 164837 155921 25486659.86 24371258.76 19012211.01 18768714.35 2743491.153 2704036.738 17231202.08 19380238.51 19738037.46 15094685.66 14299472.6 24178359.15 15118261.4 16564173.56 22182074.52 19032459.43 18655479.72 23480947.17 17100161.56 19402625.1 19191515.61 19200800.91 17580498.75 18145657.99 30648731.49 21325303.22 21543252.22 21735772.2 19751186.93 17348275.13 19497194.63 19578736.91 14515357.28 29393802.95 22988971.17 18699212.66 19701932.34 21801707.95 18872538.59 18792865.73 20377861.92 17634842.02 20101509.81 26695952.12 20342067.97 16320592.15 18741678.99 19094724.44 18729106.86 22642632.29 18845350.2 20172134.59 17421776.79 19676094.75 19622118.65 21958741.07 16267783.8 18323641.94 21563969.44 17606354.55 23525390.7 19111208.05 18501451.54 23580084.96 17302017.94 19335163.78 19117551.36 16176822.23 16323263.08 22131818.46 26181650.91 17388937.42 19534401.75 19532488.59 88034 105905 13013 8386 24074619.17 23647255.68 18731600.6 18642907.34 2737416.724 2763218.942 20006778.05 Car(18:1) 73358 4851 39745995.13 63443 20637 nan nan 34564186.77 38516410.27 32031673.63 32225151.99 7289887.042 7435442.07 37702392.85 39107973.66 38607051.59 32362371.15 30693145.52 49231904.72 28863939.19 37427705.26 47224407.21 40890064.84 40275776.44 48834278.47 39725500.48 40606111.29 40400915.19 39428618.9 37740213.09 39288529.38 59044918.55 43901479.55 44577846.27 44582649.91 42478039.32 39397175.51 40618683.83 41135344.29 31875022.62 54561326.58 50560590.71 38171959.63 43162279.51 49849081.87 41077134.91 40864545.58 41978929.72 39677380.87 40566797.68 51748925.5 43168763.26 34239734.95 38380211.43 36735675.87 40268672.14 48068663.09 40680522.62 44084474.8 38509182.52 40415271.79 40122940.96 44860413.54 33627566.59 38246618.55 48764053.36 41628750.5 48863210.25 39403365.73 39690476.6 51276530.7 39319844.39 40455454.6 35874785.16 35952944 35861987.68 46800389.52 50234862.21 39280544.15 39701999.24 41218805.37 19775 15187 15900 18305 43100489.76 45068834.9 36806927.92 36309067.77 7773355.925 7775748.868 40367608.59 Car(18:0) 56968 6391 32734105.47 53243 14274 11722 nan 34912783.34 34129940.59 29737914.77 29620134 2492031.717 2487375.684 34748923.32 33802890.26 33643813.32 23288517.13 23041576.07 41074757.54 21598767.7 29525836.29 35444663.09 37427623.62 34555943.92 41342036.47 34608687.48 34250126.15 33848175.66 33800918.45 28579738.13 27276747.43 53373836.3 34519114.78 36350790.73 33017287 32915995.4 36038509.79 34449873.13 34931419.31 25571092.82 49903622.21 42947833.96 30483349.32 32381136.19 47531080.44 29306786.56 29020424.61 34217157.57 36492171.83 35779881.07 49096801.61 34890762.87 27574775.62 31017000.85 34519848.27 29834798.07 39992172.42 32205636.9 31826531.43 35550787.21 34936290.65 34218934.23 41066531.37 26563390.65 28598899.45 33722740.53 33118809.65 40850940.64 30029465.11 28974721.95 39034911.59 34915189.4 33890086.42 31790350.82 26867692.21 24457405.44 38170155.26 46539775.23 35234436.05 34024615.68 34409169.48 14326 15418 15511 10351 34619654.59 34100756.64 31083247.48 30761432.84 2599372.962 2565853.227 34986428.5 alpha-tocopherol 70989 11061 99580.61878 27425 16239 16202 9859 104561.8072 109762.9985 93628.94817 92211.70983 85197.8903 80093.09167 145114.5599 102415.2076 97083.84636 65259.05203 61767.55058 142850.3986 62525.04425 86473.11954 176584.3226 74906.21019 84648.21417 103724.9249 150046.0116 100189.3646 99952.34757 97373.16334 75440.64027 112953.36 178348.4744 90521.71495 151703.0008 176084.6181 98397.33736 147692.2918 94829.85561 96172.23997 72414.22831 115167.7341 66421.219 82990.39487 105153.4318 66603.3595 80574.6757 75082.6119 133954.4794 155202.8653 97995.16912 111905.5526 85249.40331 80817.35368 86744.13188 107969.3457 128298.3863 132081.4744 93767.04735 126153.3183 154804.6908 101377.985 96394.49213 72050.32713 105997.4779 142820.5517 159298.9766 108734.5468 179863.4872 116046.7439 102107.9688 115841.0806 174698.9655 106085.7003 179474.8297 128619.5361 106186.0173 91613.35512 173214.1054 172856.078 105213.1529 99038.22329 8574 6656 6575 7786 102738.4193 98352.38177 92615.52217 78796.67635 69104.89946 61351.71331 95943.70465 Car(20:0) 28423 nan 2824138.034 3658 nan nan nan 2583919.551 2381619.033 2398004.143 2384052.4 92980.25309 nan 4216302.509 2797783.289 2751607.969 1688549.874 1315160.769 2893131.471 1474220.877 1802915.709 2581647.33 2736218.056 2329353.56 3894761.984 4179110.909 2728268.292 1760527.231 2266553.049 2262508.406 1970852.093 5778275.081 2865661.472 2321567.194 2200943.992 2388841.727 4256101.572 2771846.268 2817918.576 1417761.317 2855482.799 4089812.914 2273412.181 2257239.398 6733535.545 2088201.498 2266783.114 2219237.795 4437388.682 2900637.819 4237445.099 2619580.711 1963590.366 3042597.391 2412609.162 2021673.896 2948913.24 2756792.471 1932183.387 4485556.918 2980939.131 2939564.629 3138375.482 2028158.379 2372374.104 2348179.423 2549261.817 4085826.163 2346076.97 2173784.818 3440626.182 4530591.866 2907612.973 2263295.586 1885568.936 1653729.643 3039855.891 4206275.452 4479889.971 2937336.806 2828211.606 nan nan nan nan 2579951.877 2666257.331 2713317.289 2738744.097 84278.76659 nan 2964058.094 glycocholate nan nan 5020834.761 nan nan nan nan 303174.1327 298336.4893 1009846.292 1038510.455 21723.08535 26768.41112 2462384.815 4846678.928 4738674.594 2484762.907 2298823.591 5364216.333 170159.0515 856250.6785 12986931.8 1113903.277 296832.0285 7724017.79 2460903.997 4762739.371 1505056.069 662878.944 538270.438 11731525.71 8577646.944 2149269.506 11571337.44 7043004.779 6820127.006 2508603.378 4931872.215 4867438.299 843504.765 7829846.183 3444398.859 220241.412 265155.4227 3532476.801 4885138.451 14875407.96 370365.4545 2631966.187 4984506.416 9759630.012 790114.5116 258870.8213 1113353.934 818254.6265 2739550.127 7073625.411 4853874.798 13755931.03 2650759.451 5026639.386 5041210.977 226519.6948 1053399.931 6809117.879 3482602.821 4960314.346 419732.4719 9179525.581 14114204.48 5323720.731 2666666.611 5014462.511 11287870.81 366635.736 9006914.984 3027207.255 7767507.835 2545169.075 5113917.226 4907536.296 nan nan nan nan 298223.7349 285993.9225 988405.7689 1015091.636 61991.52198 27146.82401 4964834.227 PC(14:0)PC(14:0_0:0) 26757 19389 1507152.663 12999 7912 9275 8753 839565.2484 1006494.205 1511993.016 1697578.253 561947.2566 581345.4991 1543551.945 1602563.731 1259408.528 1852451.608 1161009.34 1630262.447 1680686.803 1089396.806 1545876.377 1483241.347 1232497.213 1886033.893 1635314.295 1588643.598 1125047.428 1595229.966 1401730.944 1804071.214 2299734.604 5866293.13 1215001.592 1421407.567 2057845.735 5760701.324 1615072.537 1393331.265 1432375.425 2719410.552 1502927.536 1581883.708 1490778.608 1888434.434 1435100.187 1490403.579 1633291.147 1814902.44 1703184.159 1792392.908 1468428.018 1693316.907 2769974.977 1381487.589 1674933.312 1620601.269 2371315.455 1126172.339 1609211.745 1573699.521 1458294.928 1027002.394 1883556.728 1864839.544 1335651.285 1384801.555 1673669.338 1390659.86 1690816.63 1868749.35 1802760.935 1628022.418 1028129.037 1479284.649 1285006.088 1295268.098 5344797.728 1742610.773 1444707.115 1673303.361 17571 18659 13564 5627 1265539.004 1422766.165 2035663.277 2065947.378 706538.948 671311.8635 1508087.882 PE(18:2)PE(18:2_0:0) 36577 9376 390498.8129 9407 5726 5104 6473 273299.4972 296680.3751 295125.0941 313903.6932 199301.9922 203652.23 371579.8912 421085.7159 400390.7358 366554.3787 321047.6391 422159.3742 329118.5166 346106.6484 353182.0637 329607.4154 313098.6575 425172.9134 355346.1144 372520.859 308658.5505 340110.0517 342804.3738 365370.1054 406594.2694 366458.396 292453.6195 310098.1158 399063.3383 324123.7066 367555.991 386434.7355 283211.092 341918.904 402990.9909 346030.7357 334814.4777 423950.3743 393197.8319 415397.642 308483.639 369639.3416 404330.3743 435547.6124 300380.358 315478.8753 403631.0699 327019.4789 412108.0153 380093.2489 414896.5941 378375.9918 353743.5251 388751.9316 400119.1338 342632.5365 330834.4665 417877.0316 339878.4955 355624.5637 309971.8748 294932.9922 365910.2975 372154.2742 337260.707 388001.7719 350147.794 345270.2164 374215.62 318553.2772 379206.7716 348354.316 375455.481 371977.8553 20477 11936 14094 6206 306530.2587 319541.0781 321534.3697 312292.6087 206786.6266 203801.6197 383987.5372 PC(15:0)PC(15:0_0:0) 289509 18145 2279513.439 28797 15434 12280 10691 2002083.263 235913.097 222329.8402 241628.2008 772643.8748 784695.6671 1790428.276 2146075.192 2107032.429 2596727.623 1952847.046 1961624.215 276845.8917 1729480.437 2087861.999 277303.7882 2170558.616 2131670.07 1826792.415 2155296.006 2307255.519 2093179.222 264213.9422 2116111.351 1869348.341 1846244.592 1977956.11 2146232.92 2114777.651 1651490.028 2108802.471 2143622.625 1974267.231 2452734.698 1654248.062 238585.6116 2217966.447 1786958.399 2063087.518 2113846.04 2051430.102 1778812.495 2211998.86 1813492.061 2029974.518 2139318.323 379578.0859 1834068.382 2033075.854 1750487.064 2458179.315 1708627.627 1755133.259 2246861.081 2213752.172 1818132.333 2494478.628 2284583.198 2238618.534 2075934.358 1729925.876 2239910.054 2249859.484 2334721.837 1708813.604 2152134.855 1765511.702 2164009.113 2076850.033 2292796.911 1814269.258 1772314.458 2227244.865 2136672.244 14400 nan 7257 8126 2479436.995 2641161.049 2801755.537 2735620.006 794271.9421 818440.095 2202724.398 PE(18:0)PE(18:0_0:0) 106135 16022 714675.2473 54269 23250 21435 18157 580102.3239 567214.9519 624473.9429 622982.6107 694340.8644 687026.4852 779613.3157 758299.5558 712473.2811 823850.7112 690411.2524 850336.1754 759580.9196 622971.7833 697661.2 735267.2304 661486.9675 580020.5696 691698.3483 680448.5694 617397.1566 723120.0122 658289.8445 575382.9575 680028.8778 642026.4936 515190.2966 594482.4949 741167.041 723109.4492 672800.6716 608462.0408 580446.9693 694937.3774 730800.7805 699009.5788 629493.4897 924543.155 669272.4496 714942.3016 624275.1131 814926.642 732611.1562 758972.5296 676973.2824 622230.3333 875410.4656 690803.2457 696122.5438 714484.7251 618490.185 718778.8951 798000.2393 768530.2205 726910.0781 706999.8826 699015.1191 867173.3376 666510.6386 742007.0767 629318.0184 706378.428 739143.9364 692124.631 783567.0884 732973.5495 719609.556 776218.8571 783821.379 766682.4833 688299.3389 798214.5961 722020.3227 703898.19 24414 19953 23462 13256 512746.0128 605244.1644 588365.0563 612501.0598 738159.4659 724093.7128 736208.2383 PC(16:1)PC(16:1_0:0) 98368 21136 3699736.191 23135 23738 26623 27236 1756089.661 2023655.043 3234776.307 3563130.959 1593597.28 1637186.923 4478997.845 3911061.627 3159840.688 4809287.123 2642207.564 3929782.324 3080013.623 2361066.044 3934142.81 3065143.309 2708071.954 4559891.378 4844801.993 3752515.975 2250447.393 3874977.351 2551644.536 3743306.042 5958365.874 13616495.72 2845353.436 3629904.461 5063050.358 16196488.45 3829326.778 3342989.061 3121659.75 6287280.405 4227994.558 3467961.253 3061579.634 4156169.894 3259034.335 3692459.64 3745808.746 5095873.396 3923145.154 4937631.423 3067412.38 3765073.507 6621997.827 3104647.03 3471020.878 4230661.354 6994915.655 3014320.118 4559052.773 3628091.217 3392908.002 2188013.88 4063063.735 3969277.349 2694203.787 3180374.558 3923797.581 3297173.737 3827204.233 4373509.104 5044757.429 3780063.382 2570574.189 3504448.829 2801908.587 2585822.112 13047573.67 4853396.178 3431446.401 3866105.376 26529 24475 23021 25297 2444599.874 2715615.155 4072150.589 4168063.907 1913773.436 1789926.313 3544926.029 PC(16:0)PC(16:0_0:0) 3823034 199383 46251396.27 621181 325418 230389 181694 42622947.17 44064801.57 44408523.74 44304045.46 31481774.12 31751833.65 37059537.61 45487272 45512375.89 48297547.3 46550246.59 46960680.07 47591444.55 46922098.05 44271628.19 47118755.62 46200206.71 46153315.52 37814041.76 46279907.11 46154690.22 47436129.17 46249392.13 46832146.97 45267427.96 42941159.03 42367842.98 45323763.32 47431470.65 37258166.54 45568548.99 46397683.98 47279894.53 52182152.79 45734469.42 49445404.9 48255854.01 49491417.31 48062260.34 46992770.43 47845915.36 37729195.82 45958571.14 45994761.49 47804543.16 46310168.04 46990402.87 48678657.95 46007638.08 46792260.31 48751069.38 46243987.36 36919438.41 45215247.27 44930510.74 46945684.81 48307739.49 46521485.52 46735637.99 47851425.63 43241056.13 42521626.42 46210569.94 45916293.68 37537111.18 45454590.31 44762561.81 48402684.89 48256685.73 48401967.56 42394488.75 37665143.71 44595995.28 46242504.38 1298580 560515 402804 349499 44634459.55 46066314.22 46024956.63 45806876.01 33013358.27 32208503.86 45167615.46 PC(17:0)PC(17:0_0:0) 116840 22993 7198207.05 24221 28347 20080 47513 7990546.862 8572690.956 8791836.038 8635468.47 4216363.114 3973727.588 8082082.155 7236471.56 7066654.256 9408148.876 7447500.495 6830360.129 9748857.659 7207374.567 7303030.437 8446278.522 9194271.955 6333118.221 8011304.357 7775611.314 8687230.165 6982834.031 8007275.634 7465222.181 6768883.806 5129795.006 9141842.284 8773429.997 7615758.662 7171075.668 6700622.633 6690022.762 8166942.872 9194098.478 7094303.222 10335541.24 7890165.959 6983009.319 8780602.319 8898952.809 5813693.202 7686504.765 6865643.438 7441315.074 7412723.988 6785526.049 9417019.601 6062809.777 6819719.415 7493958.056 9780147.167 6642043.34 7159022.001 7134456 6923377.314 6174491.628 6881902.179 6982475.711 10538276.41 6632846.574 7986481.595 9112845.389 7595101.402 8164524.149 7446035.308 6903813.699 5740762.536 8601716.245 8146990.121 8266326.124 5643932.498 7667188.229 6860966.307 6997331.963 25450 17518 26991 3861 8166296.89 8619870.579 9751233.694 9276417.646 4390258.85 4356414.921 7116325.912 PC(18:2)PC(18:2_0:0) 178722 16728 27207691.68 76700 31033 23003 24105 23645981.58 24577687.42 26715491.04 26853033.61 18532810 18957045.97 19869302.77 26431830.35 26402381.53 31866485.23 25478705.24 28484963.02 31215351.65 25369866.66 24922861.86 22534824.73 26895667.32 32817981.62 20525341.4 26959848.99 26895502.3 27606607.71 27322534.23 31876428.25 25278929.33 24765041.02 26776981.37 24863836.76 32391571.45 19981076.51 26209679.81 26123651.23 25789114.02 27095301.24 25497766.85 28718986.5 25070649.64 23721925.31 28796466.8 28767622.16 26070158.42 19927103.17 26428614.41 27599542.87 25567628.33 27097619.04 32438009.44 27075130.71 25672595.14 26559819.86 29559724.22 26949112.2 19791208.36 26870204.41 26341688.83 23550778.15 27432499.03 29956996.77 26801373.71 24056186.58 23609789.07 25976344.33 26841707.73 28857796.73 19663485.78 26064570.59 24814110.17 28013021.61 28284784.84 27185672.44 29018121.93 20021913.25 27007586.95 26075631.75 222670 94900 61836 46350 25276454.38 26128311.81 27539964.72 27287170.43 18770461.3 19067922.26 26827322.4 PC(18:1)PC(18:1_0:0) 445037 31152 35774766.59 86782 43564 33356 30951 30904816.63 31718287.69 34358860.24 34202408.51 18061978.01 18294764.03 36836797.37 34688678.4 33721506.24 39177029.68 32721330.04 34257964 33981091.05 31215148.62 32468651.56 31099239.65 33282946.15 38065346.44 37681270.16 35582171.59 32762262.9 34183942.99 32960589.97 36906949.68 34852028.96 29772796.69 32984764.25 35182858.63 37851371.14 36529282.86 33831837.54 33960165.04 30706942.81 41188247.45 35148337.88 35879353.04 33904117.53 32769866.82 37976899.92 37217307.83 31878848.34 36616850.97 34698943.35 35813738.58 33775577.92 31451677.54 38156708.61 30208744.08 32921511.76 36298011.38 38371231.74 33420865.28 36317550.59 35251115.75 34674406.91 26775726.26 33779750.78 34207590.37 38634945.71 32353766.06 31780474.19 34587634.23 36830391.57 37501765.99 36100993.48 34574929.93 28894601.37 34654711.27 36066611.07 34404322.09 32272726.44 36835996.99 35721944.81 34631406.58 273047 116017 82579 82443 32421548.71 33348279.89 35806315.97 34873750.44 17221787.84 17912268.01 36026958.15 PC(20:4)PC(20:4_0:0) 221037 13625 28884208 78821 31110 24946 18588 26183470 27489159.58 28321596.82 28418897.52 12832423.35 13131823.63 28713091.4 28498899.56 28291649.29 26625425.48 29801878.99 29937178.84 24189838.64 29571235.13 28651816.2 30027826.26 30778110.75 27703542.2 29407475.33 29138529.9 33128071.01 28457303.14 25980462.3 23954048.99 26996707.93 26722461.79 29015158.94 29189560.09 23209556.43 28721004.9 28155925.55 28215796.89 28773730.24 36335878.1 25018028.35 28924798.57 32047214.18 31233949 26052193.73 26011317.94 32653751.6 28884787.38 28838197.06 23515089 31219446.03 28977323.78 24469893.68 28544718.16 28440648.39 26923102.15 25733669.73 25938346.21 28759173.12 29286912.04 28675167.09 28569656.94 32531105.01 25232450.13 29087681.45 29968275.45 27306247.94 28447587.59 28213438.66 29505860.06 28637611.4 28358271.82 28538500.29 29136401.77 28318793.23 31812797.1 26618134.96 29182968.87 29378022.61 28350298.96 85768 65732 47592 52881 29922604.6 30896761.98 30382221.04 29999882.53 13076841.53 13287044.55 29282991.95 PC(20:3)PC(20:3_0:0) 99592 15519 9600522.537 121782 44379 41974 31025 9136674.991 9317749.395 8495933.821 8197502.282 7878669.883 7992301.823 8165510.388 9355721.265 8880496.787 8798278.267 8654589.356 10374257.87 8585348.942 8543163.345 8486916.022 8866245.769 8072374.394 8485555.996 6486020.3 6732019.96 6681432.009 5959177.67 6331444.968 6827436.396 7643642.147 6142891.87 5667709.01 7108534.457 8991899.362 7470312.61 8815556.772 5340642.843 8566251.067 11671215.21 10743571.87 9079360.547 8732783.414 9701843.508 9137606.48 9807589.6 8535911.811 8321707.627 9239307.695 10454381.69 9768695.027 9000364.601 10309312.98 9890072.071 10270804.4 11642623.51 10086603.29 9018585.406 7982267.346 8949504.413 9230015.068 9147547.151 9248620.669 9403217.994 9127052.941 10550929.14 10192454.83 9263805.445 9287522.686 10011422.35 8317160.575 9122947.691 9856367.728 9143995.328 10128376.62 10243370.45 10060504.1 8581407.713 9276048.674 9661049.025 171018 77884 55882 50357 10033811.22 10132995.27 9371485.707 9193417.659 8934716.979 8667794.579 9624536.86 PC(20:0)PC(20:0_0:0) 80495 52146 1878309.66 51564 53928 55130 44597 1546870.799 1498299.502 1744615.529 1878550.875 490135.2659 520201.2278 2338628.432 1934896.063 1674370.273 2110396.76 1321215.316 1822328.936 1709443.265 1420340.912 2090032.041 1901276.44 1361499.617 1577595.361 2215339.288 1703869.856 1264204.977 1802266.956 1686582.508 1287660.458 1866786.033 6555965.525 1189072.687 1345369.673 1357838.232 6295922.023 1473858.521 1122570.353 1167670.71 2301787.863 2074937.385 1385297.176 1548657.62 2359908.453 1340004.704 1534810.245 1566101.54 2419446.48 1841119.665 1460986.704 1822823.985 1808570.145 2251441.082 1356510.362 1811634.38 1753546.481 2034016.274 1044574.712 2139106.217 1733133.828 1601832.583 1675251.976 2239138.023 1918327.947 1310244.956 1512577.787 1613346.617 1702368.096 1562661.692 2159258.575 2350851.705 1756049.492 1045708.023 1330811.85 1273409.231 1529391.572 5202609.58 2222610.245 1571424.213 1774295.742 17759 15973 17982 15460 1338726.816 1477703.117 1711912.996 1723487.611 462772.7104 417420.4535 1584004.846 DG(32:1) 37438 2722 1818365.305 20778 28078 32204 28321 2554026.248 1852517.482 1563152.184 1571980.583 1589286.558 1615067.714 2704996.525 2345792.999 2602597.024 2041608.23 1477659.606 3075457.22 810223.1472 1585998.629 1238287.756 1079903.952 766991.6496 819029.4956 839135.4335 693111.7331 1340971.869 1803070.291 1503364.081 1799170.902 2328742.519 3197659.431 2632151.108 2333063.068 2815068.04 2754138.801 2139106.731 2251749.379 2435095.979 4107929.677 2180822.172 1518184.921 2321362.511 2824191.532 1639131.904 2030791.667 2851489.83 2713421.646 1979157.435 1920701.973 2180304.023 2279379.977 1408519.338 2886657.106 2537144.789 2271894.851 1337438.604 1865784.429 2760034.997 2254546.859 2167761.698 2453940.677 2418943.044 2309248.362 845541.5781 2233850.309 2296241.752 2344808.19 1747413.319 2828122.562 3031139.55 2155317.641 2952945.297 1956406.697 2234913.967 2179476.282 1670471.763 3141202.075 2248474.54 2418417.38 13223 7456 11377 21202 1887784.743 1907955.869 1564451.789 1592787.388 1758554.117 1724872.079 2839038.899 DG(32:0) 50738 22232 1998513.291 34250 39446 44440 36860 2978054.749 2105275.567 1576683.051 1187465.787 1206202.787 1201751.43 704696.4282 468114.5246 336286.0789 146043.8393 145271.5593 195782.2072 125726.1322 215338.4269 872208.567 655181.1098 1134160.523 1624774.193 265439.3713 2197390.797 2332626.283 2038832.619 2252959.6 1708781.648 2313418.816 2673996.06 2240977.558 2566103.903 2333314.205 3200183.415 2937166.766 2903625.87 2454703.205 4626848.261 3111346.451 3023882.295 2367735.006 3133772.261 2634156.419 2182491.573 2284647.375 2505217.903 2521832.147 2321458.116 2779965.586 1756117.393 2001322.52 2525304.65 2085374.48 2813184.658 2258780.396 2876082.672 2869758.466 2416940.472 2303153.084 3208038.933 2111666.331 2176778.622 2155929.824 2357256.663 2018732.617 2363865.177 2174919.253 2229685.899 3147667.031 2904610.082 2815225.524 2438100.14 2403700.509 2126173.312 1591838.882 1639106.278 1292126.147 1175691.26 33317 28651 113571 24718 2096427.812 2112548.911 2356807.948 2322443.257 1425559.019 1329288.192 3106655.218 biliverdin 31696 10663 62583.90434 5466 12359 11441 12082 32114.7042 30222.98851 26516.53777 23819.01213 81857.82547 78362.3702 34294.85989 59102.33281 54208.76839 71802.79782 86364.03772 70248.17295 78628.41086 80068.20769 41463.80298 83775.78695 55027.62303 59092.75811 44589.39562 45586.76991 68077.24317 73998.40107 73644.7692 105117.2337 95030.96426 62591.70115 682988.5072 34328.36147 85616.89358 31536.36501 42716.896 40797.12305 78319.59793 128727.8503 767088.6183 75913.04461 61427.69455 77044.93613 615156.3068 100170.0207 44325.7271 31088.49549 53083.03099 97584.98768 134165.0108 83027.78945 163316.842 136616.8046 122278.6439 164762.7775 201485.5301 202980.1278 60257.34306 72196.15283 45772.7783 76198.49051 47882.77652 425892.2803 62820.67133 81371.77064 35286.61722 30480.23145 37937.95654 35591.6382 30556.90989 35014.39765 71240.16734 88898.11892 61347.90305 43090.35374 414079.2957 36025.91637 41877.5722 28925.4588 9348 12577 13626 6962 20631.88925 30122.35251 31657.62311 25981.56094 89791.25415 94246.43261 30683.52926 DG(34:2) 158261 77517 25718780.17 83363 85840 70611 82517 38366578.06 32749755.44 24317518.47 23324761.92 13191092.18 13164421.3 41118480.75 30186939.88 31740720.05 26886689.66 22226695.34 36066324.39 19837008.45 27449489.37 25673790.46 32676910.72 28289587.47 29539781.7 38158753.17 28353692.71 28669911.01 37023156.19 29433004.42 22184540.79 27425310.3 31223064.28 26028300.41 24016902.04 25778873.5 36853590.04 28952135.69 29840604.8 27216089.37 41339894.61 23950490.19 21778032.29 26764792.72 32711282.83 12749785.61 13842564.18 28625167.41 24148680.85 18097471.19 14123089.23 24650235.29 28056110.14 24472077.2 36523649.83 29798427.09 24036324.76 21377075.52 20057561.06 41606083.9 29644442.84 32443959.92 41817207.43 36015676.9 31890692.59 13410120.88 29903799.19 22787657.71 24875605.38 22280652.65 28490296.38 43723777.44 29260654.93 32717918.06 23646449.17 25116187.97 33710021.07 28254187.66 42317793.01 28543625.28 31179469.54 75017 82938 72356 90213 31643687.54 30431173.78 23314778.37 23361658.86 13587299.53 13193321.07 34392258.02 urobilin 8749 2023 37893.53819 1724 1932 735 1529 63054.82919 34561.64535 29631.9555 26885.50828 3740.566517 4442.413828 29224.29944 38359.39332 34757.42114 32952.61456 40913.86598 38063.10942 41084.10259 59741.32732 47542.96291 37743.22365 31140.61998 20015.28983 25212.96204 41531.46448 39558.79499 30940.828 11474.24223 24241.11092 51249.21255 25547.12412 59764.9372 33714.97179 23893.56533 30333.89385 39398.75753 32514.74388 30997.82724 50289.61948 29496.48438 36308.83417 33969.34756 35088.80985 28288.96177 21519.78037 45753.40141 26554.24641 39934.71564 31653.589 42562.01998 24106.9202 34283.44527 47569.53483 25821.76423 29262.82928 22624.92504 69799.37734 22818.24215 42525.42902 43635.89591 20611.61533 27344.2891 28239.28252 22144.11257 54181.50581 37768.67641 17518.42452 78772.8718 38062.66802 31019.00454 41816.58336 48303.68563 27536.58398 45255.2841 32518.99006 30255.32931 26087.28347 46663.1572 41713.10151 5011 3139 2033 1952 38177.62529 39360.22467 28994.07499 34795.32425 4252.911607 3394.810096 43374.19855 DG(34:1) 123358 60603 19407899.69 91591 82164 93522 86212 13248588.87 14713497.48 9085776.329 8806407.573 15515615.48 17351252.75 30934889.21 20082591.63 19182857.22 10927379.49 8879835.114 19163920.82 8043116.488 10631072.77 15321650.48 10190060.36 11522271.16 12353269.52 21501393.63 10614145.1 6167114.429 4983613.504 3392964.024 3075767.593 2585781.295 3282466.466 3416640.699 4701370.73 3455834.973 7568235.956 6805075.197 10007544.02 8571468.893 12433478.16 14875588.52 10124460.6 19292866.15 10905599.93 12042188.77 13908320.44 15259688.93 33905520.35 18576716.95 12442303.42 16388680.91 13061715.96 10784693.71 14908990.66 14660385.18 11474653.66 7845748.487 11225665.49 38213270.62 20215928.86 19017593.8 11511099.91 16638104.1 17315428.23 11324925.65 12671819.19 11608175.51 13183601.47 11626136.42 19105148.43 43698786.49 19862128.06 11597223.08 11583704.6 10619799.05 12475713.98 14054952.84 33954788.97 21062984.6 22824478.29 70961 74904 74442 79656 12679643.89 12941771.39 8458764.635 8562631.746 18751595.49 20002203.49 16456317.35 DG(36:3) 1808764 841281 9112572.978 1243596 1230808 1296489 1296291 65410916.76 50227316.12 35291576.59 34110029.57 14211473.92 15106523.54 60190564.84 45435209.1 51495610.19 45551152.24 32932039.23 47852729.18 32451389.19 46045323.91 37699487.71 51409459.82 39700620.36 35341561.23 65222643.75 42778276.72 39771657.76 57924859.64 45510961.12 32342736.11 37960542.45 37663468.41 32573555.81 33374376.5 37410890.44 65853497.53 43339906.13 41547111.77 38862167.83 51206113.1 29127922.91 33672720.3 39800508.68 51687153.2 21401835.95 25782619.19 44031982.82 61688040.79 39341199.38 22949815.83 48803659.3 34765666.2 45882321.41 51484155.19 42151874.58 32387822.99 34724131.17 19431159.61 57422118.47 34681444.48 33401580.65 42971847.79 37291801.54 32893482.86 7342965.333 37402670.39 19964419.21 24000876.03 21004134.43 27730396.62 47049029.63 39867416.52 46270797.89 33859234.25 36186200.02 42218368.55 38535742.73 59662220.72 40314020.45 42238581.43 1248507 1444343 1497375 1665002 40033427.66 39501896.8 29928892.28 29583833.21 15834605.56 15631625.31 45089768.57 DG(36:2)DG(18:1_18:1_0:0) 132491 131068 6699844.293 145257 150444 149446 143092 13446660.89 10440603.4 6544262.947 6025398.679 5218237.757 5081122.448 15610158.55 6959267.29 8579761.87 9258756.195 5082279.413 8066893.493 4887114.065 8076137.296 7613908.281 9413516.276 7432034.071 4929573.514 13769928.54 5967799.859 6606191.436 11780629.64 8187617.932 4441549.305 6029101.293 8586115.905 7454448.351 6750248.407 5742271.602 12126648.07 5045372.527 4937723.671 4718998.348 6406052.295 4260171.132 1580039.629 2584382.274 3425250.204 697977.3646 761485.7027 2506907.165 4839802.664 1128870.9 662964.9248 1809548.067 6384256.262 5580580.581 8086765.941 7483641.073 4884492.06 4105187.856 2280280.128 9028287.541 5987992.638 6303424.85 10014075.79 8628046.176 7035549.161 1453443.172 7188426.299 4806450.291 5730116.913 4218940.48 6907045.879 13446645.14 6330647.693 7219506.782 3892035.158 5388567.244 7124675.951 4765758.73 13206692.52 6082932.045 6854521.055 67894 69982 68915 77273 7730081.311 7442435.951 4976117.786 5058665.599 4639341.331 4489780.609 7195091.447 SM(d32:2) 15472 8216 196502.6827 10675 12679 7961 7829 197932.3861 173422.7774 177949.2285 154126.1041 39704.29954 39237.22841 219087.9847 182173.3197 178990.3002 132397.7763 184718.0201 236422.85 138329.7187 142133.5763 182379.7393 148411.3866 146771.6191 209286.3721 200478.378 163525.091 123622.9639 147485.997 113209.1862 158887.594 241138.8487 183162.1851 165866.4009 161929.0328 166446.2399 191388.1245 133586.7609 157916.8789 105209.9258 181413.9224 147302.5849 110445.3679 96199.44877 117711.4937 167600.9882 164282.2639 87010.90394 171479.5613 181877.7339 121568.9425 145467.2794 111758.7273 127711.4501 139545.1861 167853.1968 193169.6316 132615.2629 210202.0479 196397.749 194628.8137 160274.988 153631.8853 145496.7928 167516.0143 167070.0669 132280.1528 176041.2261 156380.8675 155114.9048 161708.5697 193495.9975 206133.212 180184.077 157489.9024 208686.9266 160799.7514 219043.6037 231392.0061 231573.8191 219469.3089 10634 7101 12914 12289 123882.2022 136343.9911 141058.1067 118315.6154 42876.25505 28926.47988 136502.3294 SM(d32:1) 32568 8880 1010645.239 28603 17313 30296 9210 901731.9789 895682.0153 980896.7067 918899.5117 329291.6059 240611.5843 1625762.416 1041268.48 965098.2855 930450.3983 965308.3748 1035035.935 1119805.572 831862.2124 999649.53 841613.1099 820574.282 744090.2743 1558599.247 928410.2933 635777.2491 820054.0746 841843.5208 732671.8891 950779.0705 902936.7744 778551.4446 880501.5968 845447.9264 1280290.503 863260.1971 825082.383 721059.1074 810375.6536 667325.989 625657.9118 543019.2734 626635.6127 694556.4753 474361.6767 487681.4734 993651.4075 914734.4724 584351.5031 675337.583 413731.486 867880.6913 805555.5622 719624.6982 893755.8307 977060.9795 915027.7959 1396859.027 1040427.908 388652.8628 780034.8952 922768.3988 1042660.105 953096.8191 844036.2126 922780.451 1043821.474 1080047.732 901840.4535 1592319.948 1076351.121 817491.4398 898828.0056 891697.3628 900067.617 864363.245 1602714.625 1033661.618 951853.6366 8585 15725 53900 26683 798555.087 803928.3542 1043329.656 933729.6472 331208.4347 286983.0927 933818.2782 PC(28:0) 50101 nan 17038427.29 28986 6644 nan 5794 15114134.41 15378575.28 15474269.47 15338349.51 1194398.032 1180256.715 22032178.37 16356430.25 16207346.33 15417914.45 14882656.4 17836928.62 15783252.21 15504532.19 17660986 16443389.61 16975692.26 15272747.7 20984991.06 16089354.36 13796985.44 14118046.43 12815660.78 15120887.84 15548875.11 14915010.42 15239703.92 16433541.07 17010523.85 22132075.51 15721175.49 15178164.07 13828250.91 17572171.07 15901846.72 15732289.54 13498017.63 15924119.64 16006583.9 16156019.83 13179002.47 21263870.38 15296791.54 13021950.55 15581768.4 12090085.69 14126070.85 14371620.9 16035011.75 16164519.79 13884956.21 15496655.11 21901313.6 16628496.27 14705910.47 14345943.46 15719211.44 16634350.43 15739589.3 14335224.29 13747061.6 14557706.25 16029831.75 15607497.66 21445552.65 15565469.95 14570654.49 13933440.13 16833463.76 16487248.21 14578141.48 21457387.24 15556461.77 16371695.16 12510 4774 5600 10919 13481424.79 14611753.94 16162907.61 15923605.42 1151295.819 964227.7835 16666839.52 SM(d34:2) 174440 nan 29477217.01 37214 11187 4533 4973 27021034.42 27847562.82 27453896.61 26691080.93 2426578.618 2303518.331 36464435.99 30075784.43 28555755.56 28234031.15 27196238.26 32372632.83 27764057.77 27069152.17 32360361.62 29010750.11 29544406.97 27153755.21 34592623.94 28717894.51 25839327.4 25401096.34 24227159.38 26860206.48 28038962.5 26615622.73 28635843.91 30250574.29 28714450.54 33814758.15 26756329.71 25958002.44 24482699.08 30021865.74 26620495.3 27078811.98 24556450.89 27537118.75 27091012.98 27035018.53 21967674.18 34274584.64 25732225.93 22968894.82 25002038.35 21344995.36 24022185.76 25841663.98 28565408.78 28259439.87 24585026.67 26367038.97 34214119.94 28595797.8 24263558.91 26003828.84 28216263.55 31313455.09 30030420.47 26474348.65 26351379.87 29733541.25 30106643.49 30439794.54 36120918.4 29056674.84 28294114.48 27399771.83 31034799.64 31336123.09 28502665.26 35980555.48 29318239.86 29265958.41 24423 15102 10764 8633 25701583.89 26989813.03 30010607.56 28027009.42 2362923.069 2241049.124 29700321.16 PC(30:0) 60099 11986 799884.8125 11260 8484 9558 8317 627602.7901 646149.7963 669007.3748 698144.6536 943755.5119 910525.1861 745074.6494 803810.1264 762105.4239 710079.6058 712509.5841 773406.6136 843535.5829 738502.1544 769261.7794 806228.1051 655731.2124 670551.676 764484.727 752406.2989 603192.7755 726803.6684 699959.548 627895.8814 704481.3738 706313.2229 635403.8584 623944.7276 609046.6515 739883.5937 716912.571 707914.195 608467.1056 817711.9685 716220.6455 696491.3537 617894.791 909054.4061 721221.9995 580971.6805 571252.5473 723075.2116 710310.1267 634616.8811 825159.7016 582472.353 670032.5519 661988.198 610217.124 744519.978 645542.5978 740108.3785 792005.2274 749481.9117 717477.2883 781963.4801 715105.1434 769350.2192 868708.206 659999.3363 771709.247 637285.182 725426.8184 655919.6951 771416.38 779016.035 619739.7572 593212.4304 772343.4879 805337.8146 691187.5604 789933.396 734957.9955 752188.2778 9379 7429 12021 10953 562201.7949 587412.0142 655568.9719 686395.1242 901148.7694 955455.7715 746048.6422 SM(d35:1) 7908 2636 43819.53591 2509 3530 2901 2933 96126.26126 94103.35433 82148.2912 90378.1277 33061.37114 34078.32719 7945.26251 56823.78631 50376.63622 88654.56548 71999.16214 43019.38054 94453.29981 64859.88422 49107.94079 69157.03215 59457.54435 43789.22613 7580.989152 55741.15702 51062.08486 68779.05888 84587.17097 36304.75306 34397.06155 30983.64902 32947.611 25444.77689 43565.05682 6770.798643 52422.93279 57420.95004 60329.64277 63725.77042 55243.61318 72866.1712 59436.1413 94667.25644 51063.10574 39906.69063 44208.58487 8174.036302 53273.43129 22576.02048 67442.61253 38593.47799 86082.10407 58122.96855 24677.02728 37267.15609 62352.97871 30279.77733 4194.036592 43164.7708 33873.39303 48035.59547 56184.76819 27499.71231 41561.77114 29374.96515 29751.41624 41216.72862 27267.68744 29085.97274 2903.168516 25833.77097 26058.02355 47377.03236 28655.57091 43766.3258 20141.58757 3337.713019 32165.63065 43888.50229 1846 911 2258 1629 45742.08973 41106.62046 61591.2997 56506.78119 14772.07355 9402.239477 23717.64021 SM(d36:3) 46840 6357 271514.9615 10008 8154 3902 5781 348726.6787 325141.1853 356596.9245 323705.1564 157111.6413 145214.9355 748061.1383 339740.3172 316243.749 235941.9827 311533.5676 308445.2158 175787.9782 245764.3078 545047.7226 278272.3262 305152.3499 211893.1468 724097.8285 268889.4064 243796.7458 236650.6501 232951.2691 213600.6374 443265.7006 288707.8987 5054372.69 327208.0041 167518.7011 492355.7917 258034.7036 204762.2328 197767.2111 271601.7892 1321053.707 133568.9736 280513.5374 196397.9741 1565686.251 110433.0232 153421.1748 452579.6651 219806.0283 234993.0256 194707.969 156210.9531 148306.9918 229171.1536 235000.4826 216698.7029 160131.4156 214401.9268 516314.49 201448.3416 171203.5687 241200.6085 248176.1923 2094032.782 506781.8861 324622.323 426206.0314 374988.7996 351803.5895 374446.994 670249.6241 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1115855.874 1070534.311 1331861.564 1018426.271 913218.7206 852997.7059 1118043.473 995531.5239 887936.346 1329461.974 1011657.923 1008966.272 7398 nan nan nan 741550.4041 777372.9275 925362.6055 842610.0392 1890394.143 1859855.131 1021887.573 PC(32:2) 799071 26218 4353266.261 20456 14607 12866 nan 3998548.299 4122216.696 3775591.483 3676093.459 4545015.974 4302232.111 7643454.781 4308484.007 4062430.59 3654984.68 3539428.638 4895365.112 4016711.627 3404905.933 5269861.316 3718979.183 3943752.017 3758782.968 7033443.234 4048906.522 3163025.372 3034492.199 3632558.158 3852771.863 5300383.69 4362136.558 3985198.512 4736293.026 3854979.628 6684355.31 3611877.489 3449698.29 2858500.434 3267529.663 3283126.434 2973758.804 3484037.618 3431687.189 3403213.517 3274318.336 2519822.847 6669026.362 3314907.912 3590632.852 3049730.135 2689345.497 3137854.411 2882631.664 3277122.107 3567370.532 2902556.342 3401809.986 6945555.883 3390349.822 3195308.576 3063022.723 3351327.292 4409236.037 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nan 2474161.101 2516842.33 3673376.805 2361113.702 1541386.747 2238932.491 5954059.189 5031001.213 7015482.341 6240611.911 8058512.217 5826752.857 10145302.78 8708395.765 2445678.998 7591461.02 1485218.64 1976472.482 10071587.35 2692543.527 991626.0087 1791488.021 1893432.086 1036941.535 1543244.394 1490462.663 576031.9535 722425.4419 1663075.624 2165579.773 1202318.602 1641156.818 864789.2191 1243016.209 1933350.805 1896505.004 800638.8743 2951850.31 1701978.744 1468215.691 777802.6255 2556993.181 1479149.161 1743394.795 1650665.027 736288.0282 1840614.651 1523380.682 1325043.724 2548385.43 2697956.689 2197936.362 2256973.198 1887092.032 1627298.188 2524849.8 1523800.333 1402327.519 1389943.672 1944764.042 1139028.018 807454.4663 681002.9094 728707.0155 1854723.723 1326622.397 2280916.612 2411728.891 2274441.442 2007815.817 3422437.668 7881375.34 3767599.135 2964248.94 nan nan nan nan 604245.3558 651433.7065 771853.2059 630126.8463 552512.7757 1027694.471 931308.0342 PC(38:6) 625933 50964 31494050.86 413853 123447 79587 54643 29849143.03 29547103.87 29342415.73 29006518.07 30617954.67 31644612.26 22610200.63 32011401.04 31361919.86 31035907.27 31290381.88 34090577.27 31459142.53 31350964.99 32224312 30507815.59 31397297.65 33325690.56 22572607.46 31455851.62 31803218.22 31206811.49 29220049.79 32206348.69 30972263.1 30145538.72 32220727.62 32247716.91 32492680.59 21584077.26 29919428.88 29965065.08 29857688.8 34196774.26 31081514.54 31922751.88 31119155.95 29505600.2 33276005.03 32057075.18 30997171.34 22103491.35 30631032.12 30930860.49 30571996.09 30004866.32 30068372.03 31452470.82 33402834.09 33568736.51 30639345.26 32767539.11 22980120.28 31965196.61 31419289.04 31252584.18 31193206.31 31904796.68 33967804.04 29269839.72 30812372.29 31975847.86 32296747.65 33106621.02 22052293.86 30486620.33 31566812.51 31406419.99 34610962.79 31530258.27 33365113.77 22152925.36 31234927.76 29965201.8 215530 125220 90652 83074 27824577.95 28742572.77 28086133.5 27804112.27 28595115.79 29171463.74 31242083.46 SM(d42:2) 73847 17669 6002915.006 18916 13930 11693 12080 6538410.355 6489910.864 6365171.942 6561508.334 4233451.972 4290778.392 4132207.633 12392297.6 14227497.05 20592327.51 20553918.56 21580421.17 31250411.42 22789373.93 19576842.19 27382588.05 25835825.9 23149922.38 8807663.651 22006858.94 11867604.8 15538472.78 16277064.25 9751234.084 7855495.943 6135279.307 5379273.27 4434742.702 7338705.146 3993388.027 7050262.93 7113233.151 5587942.673 5663338.104 8507645.704 6882711.676 5672951.459 8900830.207 8179338.076 5938860.444 4260137.903 1981718.459 6699803.438 7996174.16 7667582.335 4810702.874 7027732.029 5718398.158 4971080.872 7723109.43 7064365.629 9771281.71 2355090.775 7149702.144 6490480.295 5927943.639 5072999.144 5896468.595 6354252.991 4744079.508 6014240.062 6478378.215 6429412.892 5136673.687 2727430.734 7717135.709 5077670.582 7898260.603 9049431.318 6562583.009 6294360.959 2199814.04 7219689.38 9820200.296 14151 12147 13286 14386 5066127.853 5353202.064 6117267.054 5932635.452 3598938.858 3200567.535 8479573.459 SM(d42:1) 18725 nan 5846306.939 16375 nan nan nan 7567697.72 5948720.471 6002390.389 5324718.489 365055.277 350007.085 5030674.76 5870547.23 6671055.926 5227056.35 8169123.959 3995577.822 8221975.597 6311218.216 2817170.051 5714720.358 4751287.798 2055167.087 4164381.463 4442833.042 4018210.029 5021656.024 4801846.14 3493383.806 3655114.677 3419074.012 3217783.69 2930128.25 4924381.932 5237842.617 5560047.925 5281464.287 4734030.208 4196509.501 3194561.615 5190322.446 3379763.786 4503080.215 4540005.987 3573683.688 2973374.817 3905643.504 4498881.921 4099176.128 6124694.628 2371451.449 4371468.292 5103117.302 2972891.751 6163795.045 5984311.679 7043000.901 4312106.134 4997424.205 4752306.659 5737397.835 3884473.319 3709286.103 3622591.292 3998455.942 2710343.715 2623237.388 2675644.999 2121840.542 4232828.366 5031678.475 3667933.33 5527983.629 6795528.309 6228460.892 5252688.476 5741432.072 7459792.622 8787495.638 nan nan nan nan 10612140.26 10684192.47 12577274.29 11239379.22 784561.5543 743435.2278 11356029.45 PC(40:8) 122813 nan 673503.4998 129512 37831 41130 19195 516212.6097 943592.1001 1088808.267 1078174.405 2160536.456 2796375.545 433758.8414 617901.0449 808230.2556 266769.2259 1571065.651 996771.4482 747500.2958 2034249.231 199427.716 2401012.07 756823.972 1113791.46 167039.4702 201597.1412 1103311.944 1823982.441 709862.6945 768929.2247 1158154.532 240408.1389 155709.4186 165547.0395 272580.3438 548145.748 137521.02 832953.3757 1306131.227 610744.3194 750220.3171 1076216.486 572161.4275 1248998.938 562632.1044 734426.9017 1093186.954 519790.6827 839535.2679 793047.982 603639.0755 589223.0586 951466.966 1326333.554 275563.9472 255009.5684 285100.6941 902164.6279 509836.7857 136639.927 70731.91744 226580.9304 1182159.341 673249.4184 168071.811 2227696.715 219411.1622 165351.3931 166715.1915 183747.4921 361864.2236 51849.07908 277719.3119 810320.0636 101296.9397 1110145.043 1260098.637 709578.5315 881681.3488 799740.3886 105058 64994 45370 30757 659860.9576 447622.3854 572367.0484 432547.7405 132743.8952 2726277.853 170945.1752 PC(40:6) 133261 84013 10051439.16 53363 5510 12231 11420 7525999.216 7650453.904 7703535.318 7558652.321 27483753.98 25055094.35 13932468.57 10258311.04 9927725.943 8419636.137 8408837.488 12118883.69 8984188.483 8219293.344 11432592.22 8052000.448 9448700.689 9747666.758 14515016.89 10184343.48 8640023.3 8640724.621 7477512.311 10166193.55 10937655.92 9108242.616 11194135.96 11570209.45 11894757.85 13929146.36 10027827.63 9810303.721 8993244.979 10750344.62 9001608.885 9506712.127 8970100.838 9214795.616 11256973.64 10987376.82 9127534.07 14792508.83 10229570.49 10810759.6 8577850.423 8260519.34 7994020.722 8467014.714 10450343.96 11482679.72 8180009.344 10899380.78 14623457.95 10517760.83 9804403.521 8559425.09 8959260.522 12736533.11 11371083.73 7997373.14 9184332.714 9629892.916 10228364.85 10734376.36 16109172.02 10969702.42 10471178.64 9560129.499 11993556.82 9491153.479 11106301.19 16011855.48 10822276.54 9813459.674 32320 25586 11625 9966 7144639.134 7011301.437 7975733.792 7509948.406 27975724.09 27520559.68 10396743.28 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula mz neutral_mass refmet_name rt 2-piperidinone C5 H9 N O 100.075076 99.0678 2-Piperidinone 3.05 aminobutyrate C4 H9 N O2 104.072676 103.0654 Aminobutyric acid 0.71 dimethylglycine C4 H9 N O2 104.072776 103.0655 Dimethylglycine 0.71 choline C5 H13 N O 104.107676 103.1004 Choline 0.62 uracil C4 H4 N2 O2 113.034576 112.0273 Uracil 1.87 proline C5 H9 N O2 116.071876 115.0646 Proline 0.71 valine C5 H11 N O2 118.086776 117.0795 Valine 0.81 niacinamide C6 H6 N2 O 123.055976 122.0487 Niacinamide 1.36 pyroglutamate C5 H7 N O3 130.050076 129.0428 Pyroglutamic acid 1.49 creatine C4 H9 N3 O2 132.077476 131.0702 Creatine 0.69 Isoleucine C6 H13 N O2 132.101876 131.0946 Isoleucine 1.84 leucine+ isoleucine C6 H13 N O2 132.101876 131.0946 Leucine/Isoleucine 1.84 leucine C6 H13 N O2 132.102176 131.0949 Leucine 1.95 Ornithine C5 H12 N2 O2 133.098276 132.091 Ornithine 0.69 hypoxanthine C5 H4 N4 O 137.046476 136.0392 Hypoxanthine 1.35 urocanate C6 H6 N2 O2 139.050776 138.0435 Urocanic acid 1.35 spermidine C7 H19 N3 146.165176 145.1579 Spermidine 0.49 adipate C6 H10 O4 147.058676 146.0514 Adipic acid 3.61 glutamine C5 H10 N2 O3 147.076576 146.0693 Glutamine 0.62 lysine C6 H14 N2 O2 147.112676 146.1054 Lysine 0.52 N-acetylserine C5 H9 N O4 148.060676 147.0534 N-Acetylserine 0.93 methionine C5 H11 N O2 S 150.055976 149.0487 Methionine 1.14 guanine C5 H5 N5 O 152.057076 151.0498 Guanine 0.93 FA(8:0, 2-NH2) C8 H17 N O2 160.133376 159.1261 2-Aminooctanoic acid 5.04 S-allylcysteine C6 H11 N O2 S 162.058976 161.0517 S-Allylcysteine 2.42 carnitine C7 H15 N O3 162.105876 161.0986 Carnitine 0.64 urate C5 H4 N4 O3 169.035876 168.0286 Uric acid 1.25 pyridoxamine C8 H12 N2 O2 169.094576 168.0873 Pyridoxamine 0.55 N-acetylleucine C8 H15 N O3 174.112776 173.1055 N-Acetylleucine 5.43 suberate C8 H14 O4 175.097276 174.09 Suberic acid 5.84 indoleacetate C10 H9 N O2 176.070576 175.0633 Indoleacetic acid 5.93 serotonin C10 H12 N2 O 177.099176 176.0919 Serotonin 2.36 hippurate C9 H9 N O3 180.065876 179.0586 Hippuric acid 4.35 glucose C6 H12 O6 181.070776 180.0635 Glucose 0.61 azelaate C9 H16 O4 189.111376 188.1041 Azelaic acid 6.58 N-acetyllysine C8 H16 N2 O3 189.123876 188.1166 N(2)-Acetyllysine 2.38 3-indolepropionate C11 H11 N O2 190.086076 189.0788 3-Indolepropionic acid 6.67 citrate C6 H8 O7 193.034476 192.0272 Citric acid 1.25 caffeine C8 H10 N4 O2 195.091276 194.084 Caffeine 4.76 3-hydroxyphenyl-valerate C11 H14 O3 195.101576 194.0943 3-Hydroxyphenyl valeric acid 9.2 sebacate C10 H18 O4 203.127976 202.1207 Sebacic acid 7.68 Ala-Leu C9 H18 N2 O3 203.139176 202.1319 Ala-Leu 2.57 spermine C10 H26 N4 203.222876 202.2156 Spermine 0.47 Car(2:0) C9 H17 N O4 204.123776 203.1165 CAR(2:0) 1.09 tryptophan C11 H12 N2 O2 205.097376 204.0901 Tryptophan 3.61 FA(12:0-NH2) C12 H25 N O2 216.195276 215.188 Aminododecanoic acid 8.04 Car(3:0) C10 H19 N O4 218.139276 217.132 CAR(3:0) 2.21 Ser-Leu C9 H18 N2 O4 219.133876 218.1266 Ser-Leu 2.83 pantothenate C9 H17 N O5 220.118576 219.1113 Pantothenic acid 3.43 diethylphthalate C12 H14 O4 223.098176 222.0909 Diethyl phthalate 8.27 Ile-Pro C11 H20 N2 O3 229.152176 228.1449 Ile-Pro 1.89 Leu-Pro C11 H20 N2 O3 229.154376 228.1471 Leu-Pro 2.09 Ile-Val C11 H22 N2 O3 231.169876 230.1626 Ile-Val 3.49 Car(3:0, 2-CH3) C11 H21 N O4 232.154676 231.1474 CAR(4:0)_rp_a 3.05 Car(4:0) C11 H21 N O4 232.154976 231.1477 CAR(4:0)_rp_b 3.12 cytidine C9 H13 N3 O5 244.092376 243.0851 Cytidine 0.99 Car(5:1) C12 H21 N O4 244.154276 243.147 CAR(5:1) 3.7 N-undecanoylglycine C13 H25 N O3 244.190376 243.1831 N-Undecanoylglycine 8.44 uridine C9 H12 N2 O6 245.075776 244.0685 Uridine 1.88 Ile-Ile C12 H24 N2 O3 245.185576 244.1783 Ile-Ile 4.63 Leu-Ile C12 H24 N2 O3 245.187776 244.1805 Leu-Ile 4.86 Car(5:0) isomers C12 H23 N O4 246.170376 245.1631 CAR(5:0) 3.96 Car(5:0) C12 H23 N O4 246.170376 245.1631 CAR(5:0)_rp_b 3.96 Car(4:0,3-CH3) C12 H23 N O4 246.170576 245.1633 CAR(5:0)_rp_a 3.9 Car(4:0-OH) C11 H21 N O5 248.146476 247.1392 CAR(4:0(OH)) 1.84 FA(16:1) C16 H30 O2 255.231676 254.2244 Palmitoleic acid 11.1 sn-glycero-3-phosphocholine C8 H20 N O6 P 258.110876 257.1036 sn-Glycero-3-phosphocholine 0.63 N-lauroylglycine C14 H27 N O3 258.206476 257.1992 N-Lauroylglycine 9.23 Car(6:0) C13 H25 N O4 260.186376 259.1791 CAR(6:0) 5.02 gamma-glutamylisoleucine C11 H20 N2 O5 261.142476 260.1352 gamma-Glutamylisoleucine 4.02 gamma-glutamylleucine C11 H20 N2 O5 261.144876 260.1376 gamma-Glutamylleucine 4.17 Car(5:0-OH) C12 H23 N O5 262.164976 261.1577 CAR(5:0(OH)) 2.43 deoxyguanosine C10 H13 N5 O4 268.104476 267.0972 Deoxyguanosine 2.42 inosine C10 H12 N4 O5 269.089276 268.082 Inosine 2.47 sphinganine (C16) C16 H35 N O2 274.274576 273.2673 C16 Sphinganine 8.52 N-gammaglutamylmethionine C10 H18 N2 O5 S 279.100776 278.0935 gamma-Glutamylmethionine 2.84 monoethylhexyl phthalate C16 H22 O4 279.159076 278.1518 Monoethylhexyl phthalic acid 10.23 FA(18:2) C18 H32 O2 281.243676 280.2364 Octadecadienoic acid 11.51 oleamide C18 H35 N O 282.278476 281.2712 Oleamide 11.38 FA(18:1) C18 H34 O2 283.265876 282.2586 Oleic acid 11.48 Car(8:1) C15 H27 N O4 286.200876 285.1936 CAR(8:1) 6 Car(8:0) C15 H29 N O4 288.217176 287.2099 CAR(8:0) 6.75 Glu-Phe C14 H18 N2 O5 295.128776 294.1215 Glu-Phe 4.37 5'-methylthioadenosine C11 H15 N5 O3 S 298.097176 297.0899 5'-Methylthioadenosine 3.95 sphingosine (C18) C18 H37 N O2 300.290076 299.2828 Sphingosine 9.67 Car(9:0) C16 H31 N O4 302.232076 301.2248 CAR(9:0) 7.26 sphinganine (C18) C18 H39 N O2 302.305176 301.2979 Sphinganine 9.81 MG(14:0_0:0_0:0) C17 H34 O4 303.252276 302.245 MG(14:0) 10.98 Car(8:0-OH) C15 H29 N O5 304.211776 303.2045 CAR(8:0(OH)) 5.62 dUMP C9 H13 N2 O8 P 309.049576 308.0423 dUMP 1.03 N-acetylneuraminate C11 H19 N O9 310.112676 309.1054 N-Acetylneuraminic acid 1.01 gamma-glutamyltyrosine C14 H18 N2 O6 311.123576 310.1163 gamma-Glutamyltyrosine 3.14 benzylbutylphthalate C19 H20 O4 313.143676 312.1364 Benzyl butyl phthalate 10.23 Phe-Phe C18 H20 N2 O3 313.154876 312.1476 Phe-Phe 5.52 Car(10:1) C17 H31 N O4 314.232276 313.225 CAR(10:1) 7.52 Car(10:0) C17 H33 N O4 316.248476 315.2412 CAR(10:0) 7.98 Car(11:0) C18 H35 N O4 330.263376 329.2561 CAR(11:0) 8.45 MG(16:0_0:0_0:0) C19 H38 O4 331.285076 330.2778 MG(16:0) 11.38 Car(10:0-OH) C17 H33 N O5 332.242676 331.2354 CAR(10:0(OH)) 7.19 Car(12:1) C19 H35 N O4 342.263576 341.2563 CAR(12:1) 8.4 Car(12:0) C19 H37 N O4 344.280176 343.2729 CAR(12:0) 8.85 Phe-Trp C20 H21 N3 O3 352.165076 351.1578 Phe-Trp 5.45 MG(18:1_0:0_0:0) C21 H40 O4 357.300876 356.2936 MG(18:1) 11.48 cortisol C21 H30 O5 363.215576 362.2083 Cortisol 7.62 GMP C10 H14 N5 O8 P 364.065476 363.0582 GMP 1.26 Car(14:2) C21 H37 N O4 368.279776 367.2725 CAR(14:2) 8.82 cholesterol C27 H44 369.351776 368.3445 Cholesterol 13.5 Car(14:1) C21 H39 N O4 370.295676 369.2884 CAR(14:1) 9.19 Car(14:0) C21 H41 N O4 372.311676 371.3044 CAR(14:0) 9.5 sphingosine-1P (C18) C18 H38 N O5 P 380.255976 379.2487 Sphingosine 1-phosphate 10.66 25-hydroxy-cholesterol C27 H44 O 385.348876 384.3416 25-Hydroxycholesterol 12.43 bis(2-ethylhexyl)phthalate C24 H38 O4 391.284776 390.2775 bis(2-Ethylhexyl)phthalic acid 11.9 deoxycholate C24 H40 O4 393.299476 392.2922 Deoxycholic acid 10.61 Car(16:3) C23 H39 N O4 394.295176 393.2879 CAR(16:3) 9.2 Car(16:2) C23 H41 N O4 396.311576 395.3043 CAR(16:2) 9.38 Car(16:1) C23 H43 N O4 398.327376 397.3201 CAR(16:1) 9.69 Car(16:0) C23 H45 N O4 400.342976 399.3357 CAR(16:0) 9.99 Car(18:2) C25 H45 N O4 424.343176 423.3359 CAR(18:2) 9.85 Car(18:1) C25 H47 N O4 426.358676 425.3514 CAR(18:1) 10.1 Car(18:0) C25 H49 N O4 428.374276 427.367 CAR(18:0) 10.36 alpha-tocopherol C29 H50 O2 431.387776 430.3805 alpha-Tocopherol 13.39 Car(20:0) C27 H53 N O4 456.405376 455.3981 CAR(20:0) 10.65 glycocholate C26 H43 N O6 466.316876 465.3096 Glycocholic acid 9.56 PC(14:0)PC(14:0_0:0) C22 H46 N O7 P 468.308876 467.3016 LPC(14:0) 10.56 PE(18:2)PE(18:2_0:0) C23 H44 N O7 P 478.293476 477.2862 LPE(18:2) 10.93 PC(15:0)PC(15:0_0:0) C23 H48 N O7 P 482.323776 481.3165 LPC(15:0) 10.83 PE(18:0)PE(18:0_0:0) C23 H48 N O7 P 482.324376 481.3171 LPE(18:0) 11.44 PC(16:1)PC(16:1_0:0) C24 H48 N O7 P 494.324776 493.3175 LPC(16:1) 10.73 PC(16:0)PC(16:0_0:0) C24 H50 N O7 P 496.340876 495.3336 LPC(16:0) 11.03 PC(17:0)PC(17:0_0:0) C25 H52 N O7 P 510.356376 509.3491 LPC(17:0) 11.25 PC(18:2)PC(18:2_0:0) C26 H50 N O7 P 520.340676 519.3334 LPC(18:2) 10.9 PC(18:1)PC(18:1_0:0) C26 H52 N O7 P 522.356576 521.3493 LPC(18:1) 11.16 PC(20:4)PC(20:4_0:0) C28 H50 N O7 P 544.340876 543.3336 LPC(20:4) 10.91 PC(20:3)PC(20:3_0:0) C28 H52 N O7 P 546.354376 545.3471 LPC(20:3) 11.45 PC(20:0)PC(20:0_0:0) C28 H58 N O7 P 552.402776 551.3955 LPC(20:0) 11.73 DG(32:1) C35 H66 O5 567.498876 566.4916 DG(32:1) 14.31 DG(32:0) C35 H68 O5 569.514276 568.507 DG(32:0) 15.12 biliverdin C33 H34 N4 O6 583.255976 582.2487 Biliverdin 9.19 DG(34:2) C37 H68 O5 593.515376 592.5081 DG(34:2) 14.62 urobilin C33 H46 N4 O6 595.343776 594.3365 L-Urobilin 7.1 DG(34:1) C37 H70 O5 595.530776 594.5235 DG(34:1) 15.36 DG(36:3) C39 H70 O5 619.530876 618.5236 DG(36:3) 14.84 DG(36:2)DG(18:1_18:1_0:0) C39 H72 O5 621.546276 620.539 DG(18:1_18:1) 15.61 SM(d32:2) C37 H73 N2 O6 P 673.524776 672.5175 SM(d32:2) 12.16 SM(d32:1) C37 H75 N2 O6 P 675.543276 674.536 SM(d32:1) 12.42 PC(28:0) C36 H72 N O8 P 678.505376 677.4981 PC(28:0) 12.53 SM(d34:2) C39 H77 N2 O6 P 701.560476 700.5532 SM(d34:2) 12.53 PC(30:0) C38 H76 N O8 P 706.537676 705.5304 PC(30:0) 12.99 SM(d35:1) C40 H81 N2 O6 P 717.589776 716.5825 SM(d35:1) 13.11 SM(d36:3) C41 H79 N2 O6 P 727.570276 726.563 SM(d36:3) 12.62 SM(d36:2) C41 H81 N2 O6 P 729.590276 728.583 SM(d36:2) 12.99 PC(32:2) C40 H76 N O8 P 730.538776 729.5315 PC(32:2) 12.72 SM(d36:1) C41 H83 N2 O6 P 731.606276 730.599 SM(d36:1) 13.39 PC(32:1) C40 H78 N O8 P 732.555376 731.5481 PC(32:1) 13.04 PC(32:0) C40 H80 N O8 P 734.571076 733.5638 PC(32:0) 13.48 PC(33:2) C41 H78 N O8 P 744.551676 743.5444 PC(33:2) 12.95 PC(34:4) C42 H76 N O8 P 754.539076 753.5318 PC(34:4) 12.68 PC(34:3) C42 H78 N O8 P 756.554176 755.5469 PC(34:3) 12.81 PC(34:2) C42 H80 N O8 P 758.570976 757.5637 PC(34:2) 13.24 PC(34:1) C42 H82 N O8 P 760.586676 759.5794 PC(34:1) 13.61 PC(35:2) C43 H82 N O8 P 772.589576 771.5823 PC(35:2) 13.51 thyroxine C15 H11 I4 N O4 777.690876 776.6836 Thyroxine 8.46 PC(36:4) C44 H80 N O8 P 782.571176 781.5639 PC(36:4) 13.13 PC(36:3) C44 H82 N O8 P 784.586576 783.5793 PC(36:3) 13.34 PC(36:2) C44 H84 N O8 P 786.602276 785.595 PC(36:2) 13.86 SM(d40:1) C45 H91 N2 O6 P 787.667976 786.6607 SM(d40:1) 15.09 PC(38:6) C46 H80 N O8 P 806.570976 805.5637 PC(38:6) 13.08 SM(d42:2) C47 H93 N2 O6 P 813.684876 812.6776 SM(d42:2) 15.21 SM(d42:1) C47 H95 N2 O6 P 815.700076 814.6928 SM(d42:1) 16.38 PC(40:8) C48 H80 N O8 P 830.567176 829.5599 PC(40:8) 13.28 PC(40:6) C48 H84 N O8 P 834.602276 833.595 PC(40:6) 13.7 METABOLITES_END #END