#METABOLOMICS WORKBENCH DATATRACK_ID:3987 STUDY_ID:ST002672 ANALYSIS_ID:AN004344 VERSION 1 CREATED_ON 07-31-2023 #PROJECT PR:PROJECT_TITLE MoTrPAC 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 PR:ADDRESS Falk Building CV267, 870 Quarry Road, Stanford, California 94305 PR:EMAIL motrpac-data-deposition@lists.stanford.edu PR:PHONE (650) 725-1846 PR:DOI http://dx.doi.org/10.21228/M8V97D #STUDY ST:STUDY_TITLE MoTrPAC: Endurance exercise training study in young adult rats, Tissue:Lung - ST:STUDY_TITLE Untargeted Reversed-Phase Negative 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 2023-05-02 #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 1628FB23-6F66-47D4-8D82-63C87726F0FD 90245016606 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042290-90245016606-N.zip SUBJECT_SAMPLE_FACTORS 69FD4884-786D-4F2A-97B1-6174FBD25D60 90248016606 Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042291-90248016606-N.zip SUBJECT_SAMPLE_FACTORS 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Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042294-90254016606-N.zip SUBJECT_SAMPLE_FACTORS 0A4A7935-3AF4-463F-84E3-DCF07671509D 90258016606 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042295-90258016606-N.zip SUBJECT_SAMPLE_FACTORS 04C84D7E-FC8C-422F-AE4B-CAFADB63407B 90259016606 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042296-90259016606-N.zip SUBJECT_SAMPLE_FACTORS 2B969165-1A52-43AA-8FD9-39AFA62F094F 90267016606 Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Sample_Data:raw_file=20191025-EX00979-A003-IN0028-S00042299-90267016606-N.zip SUBJECT_SAMPLE_FACTORS 0BD282C7-7832-4581-9089-08A32D557034 90218016606 Group:Training | Timepoint:8 weeks of training or control time | Sex:Male 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Lung #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY See SOP SP:SAMPLEPREP_PROTOCOL_FILENAME pass1b_experimental_design_metabolomics.pdf #CHROMATOGRAPHY CH:METHODS_FILENAME pass1b_rpneg_rppos_ionpneg_methods.pdf CH:INSTRUMENT_NAME Agilent 1290 Infinity II CH:COLUMN_NAME Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) CH:COLUMN_TEMPERATURE 55C 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:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% methanol; 0.025% formic acid CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 6545 QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:MS_COMMENTS See SOP protocol MiCAS_SOP004_Data post-processing and QC_v2_20190904.pdf MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples 90245016606 90248016606 90252016606 90265016606 90266016606 90217016606 90229016606 90232016606 90237016606 90239016606 CS00000PB-01 CS00000PB-02 CS00000PB-03 CS00000PB-04 CS00000SB-02 CS00000SB-03 CS00000SB-04 CS00000SB-05 CS00000MP-01 CS00000MP-02 CS00000MP-03 CS00000MP-04 CS00000MP-05 CS00000MP-06 CS00000MP-07 CS00000MP-08 CS00000MP-09 CS00000MP-7a CS0000OP0-01 CS0000OP0-02 CS0000OP0-03 CS0000OP0-04 CS0000OP0-05 CS0000OP0-06 CS0000OP0-07 CS000QCMP-01 CS000QCMP-02 CS000QCMP-03 CS000QCMP-04 CS0UMRG01-01 CS0UMRG01-02 CS0UMRG01-03 CS0UMRG01-04 CSMR80016-01 CSMR80016-02 CSMR80016-03 CSMR80016-04 CSMR80017-01 CSMR80017-02 CSMR80017-03 CSMR80017-04 90559016606 90560016606 90564016606 90567016606 90571016606 90421016606 90422016606 90423016606 90426016606 90430016606 90576016606 90578016606 90581016606 90585016606 90587016606 90439016606 90441016606 90444016606 90449016606 90450016606 90406016606 90410016606 90412016606 90416016606 90420016606 90280016606 90281016606 90283016606 90289016606 90292016606 90251016606 90254016606 90258016606 90259016606 90267016606 90218016606 90222016606 90223016606 90225016606 90227016606 Factors Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Female Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:Control | Timepoint:8 weeks of training or control time | Sex:Male Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-Blank | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-DriftCorrection | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-Pooled | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-ReCAS | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:QC-Reference | Timepoint:0 hour | Sex:- Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Female Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:1 week of training or control time | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Female Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:2 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Female Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:4 weeks of training | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Female Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male Group:Training | Timepoint:8 weeks of training or control time | Sex:Male 2-hydroxybutyrate 72163.3721 106933.2778 161231.4922 63389.7804 91883.5777 159403.0745 90205.7674 60923.8993 132735.7665 59293.0370 97549.4673 98730.9841 83772.2427 106332.4855 101303.6657 107935.6777 118872.3320 107961.6757 121858.6559 162513.0127 168911.8816 144091.1004 170087.7490 146096.8692 150158.9408 149899.1459 168083.7442 93007.7474 110057.3181 101565.3862 96721.6692 167960.3871 168811.8096 149787.0572 159982.0800 194113.9887 162483.6391 186151.7494 170801.6529 79743.0281 80997.3404 83926.3083 85595.8476 73271.2361 72498.6944 93062.5479 73073.8393 88774.1160 82175.0613 84134.9155 41315.4683 55457.2651 50290.5544 76704.9197 79766.5926 121917.6129 101022.3808 102758.8200 101029.4014 61334.3663 82996.4095 51388.8045 51898.1928 56676.9598 70655.8739 55136.8030 66511.1694 55470.6206 49931.2395 47907.0268 114512.4121 72703.6504 81162.1366 128272.7136 105885.5847 57012.1456 47000.5769 70083.2755 64148.5739 49740.1129 44583.4907 83662.7313 48898.7135 3_4-dihydroxybenzoate 14565.4196 14344.9502 10823.5936 19915.7291 21924.0106 12936.2004 16485.5104 13380.4547 23469.2983 14808.7960 12755.9179 12529.0915 11498.3277 12424.4338 11602.3491 11237.3009 12129.7511 11647.2463 13183.1246 11728.1805 10071.5631 12945.7110 12320.6344 12554.9601 12343.7402 13902.3795 12700.8906 11483.2909 11396.0221 12639.6474 12666.3746 3757.0127 5161.1910 4707.4235 5790.8461 20497.3573 21374.1584 24934.6485 26053.2390 15178.2446 14971.1774 17684.2783 18289.6686 10000.0824 15194.6179 9106.8175 18181.2056 11502.5716 15449.7178 11623.9921 17541.2473 14784.0870 15017.4265 10474.9165 16832.5942 9815.8410 12458.1961 17498.6763 12977.6570 21227.6597 13077.6955 14390.6903 16511.4909 12759.7947 18659.4395 15143.0399 12841.0996 20371.0672 11185.6569 19149.3159 9564.4457 13571.2605 12411.7341 14523.9639 18033.5903 15699.4370 21582.4756 28452.8921 11395.4758 9671.5872 13055.2707 14616.7603 16181.9611 3-hydroxybutyrate 224892.8401 188463.0578 227992.9528 89865.3696 188411.4388 76581.0649 74863.5600 68268.6615 75242.4398 54232.5130 133771.0325 125004.4018 144028.7650 131814.3399 146757.2750 136307.0197 139295.9507 162085.0598 129553.7860 124228.1128 125516.2925 119462.6875 119362.6478 107192.6379 117923.5122 124507.3889 106179.2921 127919.1585 141443.4184 149516.8828 146224.8095 265980.1261 287941.9409 244268.4672 316474.1548 131647.7643 128016.9062 119750.2095 115932.2464 53267.9939 55082.5897 52520.4361 48809.1696 262076.3913 139912.3179 232728.5542 207002.8774 230313.9910 65368.4711 62583.5963 71228.4391 67540.5068 77035.3523 211376.1115 198374.9231 212132.8334 200933.1429 282772.6713 122741.7605 65322.6581 121147.9322 56310.5859 74119.1991 125681.2816 184013.3046 116028.1872 111341.8593 172240.4104 104421.0444 75647.8000 92518.0884 70481.5297 59858.1809 285903.7597 210395.7273 169520.6233 113097.5783 134921.5373 66827.1920 61036.8901 69995.7030 96075.1947 63834.3207 3-methyl-2-oxovalerate 150850.6687 86409.5183 99291.5050 50599.4142 65466.4281 47737.1063 101635.9826 76750.6331 93471.4211 75012.9954 76770.5680 93319.7395 79198.1839 96164.3556 78794.7211 88913.7658 87004.5327 92153.7084 109856.3246 75323.3305 106058.9780 69369.5133 67660.2788 66142.6866 90812.0990 85288.2144 86681.6568 76956.7163 91072.7664 97232.6283 92297.0284 169497.7324 189021.0479 192718.7212 181764.7166 146555.6686 142928.9778 181345.4494 168912.8940 52346.3594 67187.2898 74574.5893 71492.1354 65578.6088 57420.0353 90688.6361 111391.6896 83416.2179 77396.7122 67024.4122 90857.6776 71010.2187 76314.2017 56765.8342 100583.0576 129046.1505 114653.0020 111959.4544 91654.2324 59345.0674 107951.6823 62855.3403 57740.2912 87533.9591 69813.1927 91088.7640 69938.5861 62315.5577 70481.7220 90088.9534 81437.9707 77932.1937 68291.4363 116267.0210 92568.7412 77076.5874 85877.9678 98982.8486 65497.7364 85357.5730 73684.9682 81970.8234 91962.6636 alpha-muricholate 254358.2259 76940.5265 200907.6095 56768.3186 104988.7629 90687.9752 165216.3603 88592.9087 105730.7243 118552.4321 105388.1121 109625.5340 116933.2021 115313.6409 114753.2172 109815.1702 112524.6977 119917.9627 126713.9176 98466.0733 98019.9469 88903.5277 89449.2483 94982.5313 90055.5520 110875.4979 98860.0218 106307.6712 105592.1912 105548.5680 115758.9496 30024.4765 30241.1209 29985.9736 28800.7819 102905.2570 114984.1945 113008.3575 110730.6663 141353.4560 159702.8094 165862.5130 182510.9306 27167.5688 6396.6953 621572.2444 202313.9819 136789.7805 58401.6449 79405.4013 10829.0765 86612.6543 9364.0550 13504.2460 53149.9410 236098.0979 35098.4269 56049.7537 20088.3830 89242.5406 403632.6908 56472.7361 63991.2813 268372.4892 75682.7670 119227.0138 81850.2875 96256.7157 53578.1863 70622.1416 68264.2089 22702.1961 35607.2898 145815.0814 86489.6199 49008.8899 51738.3133 162890.6876 54671.2192 139341.1341 57030.7298 53384.2981 160929.7086 AMP 11538466.0242 18078618.9648 12791860.2491 20835379.7674 14966326.6708 20973416.3519 17184635.0052 18414605.9952 26896888.7913 28212206.6126 17836054.3180 18430912.2876 20611822.6602 20565548.5136 20236449.5448 19411843.5006 20171038.1007 20512668.0931 21074479.4131 17758901.7756 18346516.0839 17453404.3629 17768271.5891 18199402.3317 17097424.7672 21018463.4725 18689373.9924 18516593.8486 19577215.9543 18556858.9952 20584067.4955 672279.7886 653605.9939 691251.0297 705314.0619 18190414.2518 19414426.1290 19288264.8175 18974920.9736 20730119.7730 22558487.9347 23546539.0531 25784732.9450 6814173.0453 17305482.7945 16157518.6062 15120905.5417 17187292.4994 11567152.9130 11769938.9964 17377722.5665 15098855.0511 18206145.0654 6664787.5977 17755061.1637 19098188.5656 15211447.5429 17985957.7911 17871729.6860 15227172.4081 22260957.7618 10664458.7088 11474433.7565 11878558.4140 13148634.3183 20862486.7236 14564150.0024 17886819.0894 13626373.4078 38318939.0921 15289487.1673 10669775.7416 17523443.0274 13294480.2619 18983483.5356 11561144.7299 13649326.2619 14961739.8906 10111139.9534 10837007.3934 22632877.1451 22571996.7374 13491136.8668 aspartate 270540.2572 277370.4682 238465.2309 225099.2075 201466.1067 284471.9315 201597.3370 190066.3661 235762.3117 188997.7000 198471.9304 188695.7858 189165.4370 181847.1978 170874.4064 183952.7212 183997.0404 186990.2472 188799.3165 218248.7409 227193.4613 226600.4930 220103.0101 219294.8411 260818.1127 259105.9001 221344.4646 192694.4697 186519.0947 178498.3681 180214.9800 37458.1731 34058.3316 30812.6048 33867.2404 187860.6808 195729.7006 170158.5577 170423.9888 238025.3232 243031.1001 236212.1209 237774.0936 246796.7916 234647.5803 240442.5693 232076.1337 251438.6740 215825.8807 189237.6657 203631.8918 163401.9277 214456.0714 189779.6981 200039.0483 194849.2081 241847.9188 265900.5481 184902.5529 199695.2024 213313.0649 154033.7865 172066.4421 197071.1232 249556.5171 211395.8183 183824.3471 221570.1815 179174.1746 226533.4914 194793.5693 156392.9641 174031.1531 235194.5149 215162.7792 212898.7322 222881.4456 225294.3435 156559.5249 202969.9134 187427.1496 185183.4697 190167.3253 beta-muricholate 2709197.1185 10720.6239 49324.1300 335842.2442 482660.3478 18861.0053 234736.0892 25199.0052 17986.3868 5154.5873 509423.6287 512100.6168 501393.5706 482178.9032 487951.7773 485978.3119 483208.6648 489631.9898 546864.2013 430649.3763 414731.0598 395878.4710 380629.4989 392518.4688 390976.4121 381350.3644 386832.9260 506019.3408 481648.3247 476078.5436 498677.2315 285146.0999 285947.8499 297374.5730 293453.6915 395693.6334 401763.3982 405950.2983 423407.2401 914316.4755 924063.5976 969282.9364 952244.1101 18169.4248 10844.7833 4648582.6673 3487930.5855 2888334.8489 14053.6676 71394.1909 6654.4101 141157.1904 5140.7319 9550.9385 717743.8088 4873873.4300 73060.7494 454043.2354 5740.2402 19190.1530 2398788.2513 230865.4492 190332.1171 1978513.5086 159497.9638 188201.8298 548018.6844 21598.2737 17923.7089 9107.8137 8219.3399 3445.6336 6317.0116 43388.3644 74553.3248 38969.0461 16938.1731 1024324.9742 8518.1243 287012.2189 4400.5033 7620.2841 126597.8077 chenodeoxycholate 298475.3412 106685.6766 203943.3922 236170.8176 148793.7917 137724.9008 183618.7384 112743.4013 104562.9668 183969.6205 19764.0000 17537.0000 19853.0000 15290.0000 21417.0000 353139.0000 21940.0000 16358.0000 266566.4751 136866.4151 318003.1121 345940.7150 283186.8462 260756.0712 329930.6723 609074.4565 159271.1564 306730.6609 469845.3692 685717.4294 593716.3220 635950.5268 926375.4142 833546.0046 700431.0203 489454.2572 612129.9206 657188.5144 261290.7763 432486.3802 488221.4047 403852.2875 395445.4321 90198.2293 82158.9016 92599.8075 93097.4536 137541.2999 169889.4443 167362.4638 166462.0077 174638.4752 101161.5907 527992.6730 347222.0739 524794.6411 101573.1341 145894.1667 189274.0148 142309.3103 70498.6943 206161.8242 295341.0784 592989.9344 166840.7800 346902.7881 225183.6862 131197.4528 300986.7117 134018.8166 111273.8310 231702.5252 113309.2887 193134.5783 90959.5404 92214.6127 80246.6805 100053.1336 100887.7185 144102.6392 130940.0983 117108.6191 170283.0215 59899.7953 79912.4477 201433.3755 135840.8259 186506.1359 65019.1620 102515.0382 132447.3702 cholate 2709197.1185 10720.6239 49324.1300 335308.4906 482660.3478 18666.7288 234522.1013 25199.0052 17926.3370 4930.2619 510689.9544 511399.0647 498413.6288 481763.9349 482733.8053 479357.3309 477834.6923 486415.8182 542726.8921 427206.5536 411905.3742 387586.2616 375442.4467 389732.8228 384901.1608 374665.7185 381697.0060 501680.4217 477705.9150 472141.3324 498012.4640 282653.3001 267684.5787 293434.3322 275402.5678 392444.9877 396657.9793 403928.2065 421213.1294 913877.7967 923033.8283 963066.9636 943376.9015 18021.2306 10844.7833 4648582.6673 3487930.5855 2888334.8489 13886.1566 71394.1909 6654.4101 140808.6066 5039.8751 9550.9385 717248.8388 4871082.6039 72841.5032 454043.2354 5584.7020 18901.4696 2394676.1145 230865.4492 190332.1171 1973928.2470 159497.9638 187995.5040 547228.6013 21598.2737 17709.8014 9107.8137 8219.3399 3445.6336 6317.0116 43388.3644 74390.4383 38702.9013 16868.7082 1024324.9742 8518.1243 287012.2189 4343.2564 7541.3564 126314.5799 cis-aconitate 92955.7915 31613.7532 53492.0404 72246.9681 55294.7201 42665.5338 29571.1547 27946.5190 29844.5061 79911.4763 63260.3142 34441.9920 39681.2020 31936.7456 29713.3791 26226.7376 32196.6545 65521.4859 72807.7741 82968.5384 29656.6056 71660.0711 24318.8320 54369.1848 58492.9146 36038.0263 25093.6397 34771.2100 38923.0111 32121.5131 96807.0863 17345.3076 20078.0524 22699.5533 23457.2870 45892.3694 64991.7942 112612.7239 112106.6162 79912.9761 42349.3330 25101.1452 62575.1517 68242.8595 26960.5335 46329.5389 63899.3363 29021.6656 37318.6666 50279.0017 61034.8455 9793.8966 44779.5133 44383.9057 89930.5223 20640.9134 58725.4255 28281.9190 33781.7620 44373.3254 33345.1809 66080.1383 38180.0541 25428.6839 70991.5617 29615.3479 54648.3273 35667.7425 22729.2084 29068.0194 79929.8442 55317.4758 79626.8080 85632.8703 82470.4067 52890.9533 49319.8186 94591.4783 53159.5901 28131.3337 26658.3825 38650.3883 27314.1600 citrate 4621917.1915 3957252.1649 4821153.4927 4316602.8943 4513073.0643 4439512.2479 3989398.0249 3881388.8376 4334137.3056 4488794.0420 4449190.9038 4310803.8877 4246783.2412 4266407.4888 4182838.3276 4269819.4122 4267537.4760 4240324.4881 4222287.7637 4309427.6608 4397763.2854 4422260.4784 4442633.0783 4377012.8265 4446948.4688 4390401.0298 4410507.3204 4302705.4046 4198940.6564 4260133.6968 4213618.5160 1697002.5141 1691494.7742 1701220.5985 1668547.2744 5555949.9527 5477158.3943 5515958.6418 5523677.5094 3543789.6146 3598281.8599 3570315.5531 3563586.5456 4511360.7958 4514878.8406 4886868.9746 4588377.9456 4790755.7446 3673678.5382 3833588.1756 4407281.2984 3263020.3832 3463614.5435 3974001.6159 5163724.8074 4865468.2439 4583158.7598 4584611.5369 4336372.4900 3968051.5385 4466060.1210 3387550.0822 3458558.6876 3661803.3722 4574198.7892 4642249.3878 3765348.9286 4909568.5947 3275725.7677 4643613.9774 4136099.0552 3060890.2433 3495350.9435 5536999.8632 4409139.6428 3759900.8023 4001554.3425 4261504.2123 3057320.0806 3343285.4013 3645092.4493 3429603.5335 3652759.4016 deoxycholate 137155.2430 62909.1790 90423.4683 77030.5324 52926.5068 44886.6216 126150.9875 62318.4018 41020.2715 86884.9524 111565.8687 102362.3424 107194.3071 98629.0115 102457.8312 87804.7704 98560.9582 116886.3333 95123.0178 110766.5298 113912.1317 87029.9115 93738.8757 91455.1331 99911.9546 87219.8340 87438.7021 132408.4413 77351.1239 128910.1129 86547.8538 101815.6339 104533.2866 100529.3191 103866.1069 74157.5610 75209.2429 60412.1364 65902.9588 126999.6530 123785.9291 112375.1233 117350.8935 72268.7265 35811.0718 309785.3899 110630.5203 325797.5376 26431.4257 79415.8860 101806.0042 42683.4374 51328.9551 133794.0139 105186.3692 153781.2326 79003.7923 142087.1614 54793.1991 41462.8129 99375.0509 48208.8759 64053.3347 82657.2803 46348.3623 93646.0043 50660.6538 60126.8736 47422.6082 61344.9384 71661.9657 58341.7561 73311.3500 74266.5081 75861.9158 26147.7919 38596.8546 68835.9750 28304.7018 68129.3930 39791.3017 31503.0895 86955.9952 deoxycytidine 8581.9165 5334.4568 7852.5036 4393.9038 8432.7705 8425.0591 13092.2625 10052.0390 14467.2448 5399.3064 8980.8931 8270.8171 8208.7807 8713.1515 9689.2810 8777.9479 8895.0473 8404.3038 8696.7780 8238.3395 7514.2395 6937.1803 7716.5213 8479.5483 8785.1267 7271.1987 9363.2443 7353.3610 8434.3431 8322.7363 9277.8933 3545.6054 3530.3949 3919.5421 4265.3540 6284.9159 7333.7697 7132.3237 7326.5168 7758.5197 8173.2958 8735.8756 10245.7090 6899.8542 6520.1732 7370.6209 8040.8404 8206.6401 12449.3236 10861.5385 10533.6846 11949.6612 10083.6771 7140.6527 8487.4140 8760.7563 5852.2387 7838.2359 9875.5462 12324.9237 13687.9063 9178.4032 9981.6304 8876.0001 4889.3125 7828.2202 5978.5136 5747.3997 9522.2761 8047.3639 10529.4119 11663.6312 10937.8158 7317.4844 10242.0283 6196.5429 7550.5595 6419.6563 8599.5960 9247.7244 6752.8939 7298.2511 5846.0253 FA(10:0-COOH) 12513.6359 9643.0959 13470.8870 11716.0266 12278.8041 15188.8721 13419.5939 9157.9460 10734.0676 11887.1136 5778.0000 6694.0000 6908.0000 7263.0000 6347.0000 5830.0000 5094.0000 5350.0000 19838.4897 20445.0445 25056.9317 20681.7745 18571.0088 20330.6285 21425.1467 18204.5342 21351.2449 22130.0023 22363.4450 23459.7422 62621.1683 20672.7466 20568.6152 23981.0938 23199.5135 21059.3265 21880.4057 21336.2083 24318.4636 44749.6759 41308.0602 33105.9191 42031.1736 15484.8728 15654.1260 18540.2786 14867.5083 8884.5595 9494.4101 11409.5972 9420.9119 14823.7307 11276.4214 16678.9529 14913.4089 16964.3858 10714.9497 11688.7566 10443.9931 10919.3989 11187.3774 10001.1958 13573.5602 12352.6200 11645.1923 18286.8530 10424.8250 11080.9373 14497.0958 9086.3431 8584.3656 9958.8882 11835.8420 12894.4515 9212.0189 10707.8317 13997.7866 9770.8924 11969.1352 7107.3223 7765.2526 14571.9373 14281.4949 10178.7213 13950.5385 13657.2333 9633.3756 13254.6665 8243.3107 9563.8109 13468.3572 FA(10:0-OH) 8787.0316 7774.0136 6790.2613 8429.8180 8756.5479 7867.9062 7181.2316 6879.2972 6274.4269 7086.3483 5836.0000 7379.0000 5738.0000 8137.0000 3495.0000 4852.0000 4466.0000 4828.0000 22929.0810 21423.0914 23177.8437 22363.4411 22604.9836 23238.7456 21062.7561 23184.2307 22405.7215 24643.6320 22312.0838 23342.6147 21420.6374 21735.5069 24016.3231 25660.3011 22668.8605 22740.5271 23618.0253 22045.7961 23686.6754 44255.1309 38324.3754 64928.8290 56853.0579 12141.0925 9987.6263 10688.9633 12031.3769 8611.7239 7811.9429 9517.7331 8060.9805 11745.5042 9021.3157 6860.4896 8550.6299 6158.5052 5055.7009 5609.5268 8105.1183 5591.3079 6302.5444 10378.6889 7618.6114 5027.0214 5693.2292 7329.5519 7310.4700 9124.1160 5644.5033 5665.5015 7593.7986 7627.6269 6244.0614 6248.1556 6509.2320 5728.9654 6247.8770 5764.1460 6325.7860 4929.1041 5851.7587 14900.4931 8584.9623 6136.0851 10047.5436 6168.9667 4202.3880 7454.3759 6077.0025 5543.1719 8370.2312 FA(11:0-COOH) 7330.5789 9627.6133 9475.9809 12964.3640 10448.0225 19040.2325 11776.4648 11265.7881 10028.6280 10729.7058 11499.0000 11854.0000 11112.0000 12795.0000 10913.0000 10717.0000 12267.0000 12566.0000 32783.0591 37710.1214 38248.6995 41473.1479 33701.1126 35192.9658 36562.5115 36265.6487 38176.1579 39123.5626 35660.4355 27193.1069 109544.3871 30306.4468 4913.8748 27004.2699 30319.7149 35289.8940 34868.4427 33704.7520 40881.5958 49063.1596 50719.8619 49349.7054 60509.1016 16953.8903 18257.8678 21808.0171 20447.0632 11824.3035 13466.6815 16139.2644 14352.7424 14633.7399 15902.4540 13283.2433 15501.0211 14328.8789 13303.9935 14652.7829 10328.2560 14730.4183 10441.5523 11602.3279 10724.1881 10551.9770 12802.7798 13854.2283 9839.7019 10012.3560 13780.8225 13209.7449 7082.9768 11411.9645 12040.8627 14117.8028 11653.2312 11935.4948 15161.0316 12590.6461 10692.2899 9521.1151 8033.1068 14029.4634 13812.1410 10389.9885 17487.4203 14601.5275 11695.1243 13237.0977 9408.6642 9559.3914 12843.8023 FA(12:0) 25728.5439 23933.5602 35533.8245 34262.1629 26998.0842 52549.3001 37859.8132 32261.7741 48351.0791 46619.6450 16884.0000 17057.0000 18853.0000 19787.0000 12435.0000 11547.0000 12078.0000 14346.0000 77201.6357 95668.4960 92866.8461 87227.3660 74039.0172 74074.5215 87295.2700 82481.8866 86717.3784 85400.0125 83094.4876 71765.2829 234316.3387 63990.5586 68221.5908 70807.4259 71960.5639 79098.9949 81122.2695 74963.9320 92344.2716 77534.0152 88252.3686 62778.8599 95271.3587 51545.1721 55856.9119 66641.5952 60127.2768 28547.3533 29372.5951 36568.7002 32255.5100 33247.2881 23899.5679 29109.0207 29351.2814 35322.4494 23734.9531 32565.2762 25592.2385 28710.0244 27729.4529 22277.4466 32706.2399 19902.9444 22953.7038 24519.0303 29917.5515 28157.5000 36306.8150 26830.2379 22362.1362 22761.4855 27606.0302 31769.1615 22116.8732 59974.7652 50079.9627 23822.0575 24243.5581 29105.8410 21969.9215 56040.0796 34080.0394 26553.3508 50282.0157 28317.3217 35532.8042 29307.6487 38725.2824 24876.2942 57760.1993 FA(12:0-OH) 9599.2838 17373.2273 48559.6556 23163.5935 16566.1957 61396.2655 24107.3532 24265.5855 23591.5697 20733.4574 31346.0750 29525.3948 33838.1128 28842.4249 26952.9488 25498.1251 26923.6714 33079.1967 26234.5657 28390.1924 24475.5393 24524.9132 81766.3028 24551.7784 26906.2957 30858.5598 23497.6397 23700.7112 23186.2709 29074.8423 33068.7767 37836.9224 36598.9732 27335.5392 50023.1394 31932.7682 39548.1549 57640.2392 48225.5517 18180.9313 20320.7639 22481.4337 23777.2248 30281.8754 18973.6702 13827.8804 13266.8379 14705.3799 25438.8942 25539.7021 21166.5746 20091.7355 34646.5730 19683.9744 22373.0001 16476.8420 13749.4468 15422.1352 24317.2315 31456.0217 36154.6356 16869.3303 19348.4677 11862.5700 14778.9134 15410.9426 14601.6611 26229.0010 22082.2313 15197.7029 27305.7178 23152.4982 15194.6379 38145.2468 18246.7256 18438.9848 15648.5627 19365.8732 25638.6616 22447.0412 25846.8135 26072.8754 52627.8342 FA(12:1) 6380.5200 7249.8839 10529.2748 6233.2388 6044.3123 11264.2200 5344.0969 4239.1175 6211.1751 6092.6844 579.0000 1456.0000 881.0000 1150.0000 7836.1842 7025.3357 7590.7242 6807.4981 7668.8012 6710.6430 7339.3104 8254.6444 6811.7732 7903.1103 9985.3749 6130.5504 9147.3618 8029.6885 8514.7635 6239.6297 8890.4629 7359.5544 6500.3609 7493.1113 7440.3479 2481.3475 2283.0198 1562.6052 1752.1873 7398.4113 7417.8785 7960.2398 6987.9024 4722.4751 5585.4381 5134.9625 4136.8123 8051.2592 5999.0249 7882.5550 5637.0543 6511.5002 5355.8494 6226.2143 6296.8988 4526.9708 6126.6023 8556.5555 7038.5480 8449.5020 9415.0645 6648.2864 5419.2116 6425.2647 6866.6736 4432.3630 6804.9167 7037.4716 6674.0470 6572.3502 6743.7000 6380.3605 5734.9264 5632.7385 6459.6859 5999.4653 5282.9584 10224.6553 7004.1231 6763.3296 7494.1288 6982.0839 4937.3060 6307.3142 4445.0541 5587.4498 12542.1400 FA(14:0) 269492.6702 310573.2127 518163.2664 313975.3607 296138.3533 386504.2155 343924.8915 357124.1165 473240.1522 345957.1692 24138.0000 24092.0000 27812.0000 24177.0000 28983.0000 29295.0000 26250.0000 34104.0000 343277.7442 385065.1793 405256.9803 395774.1658 409050.6295 405138.3308 424880.9858 416467.5180 473755.2901 371752.5805 380800.8191 323789.3807 352393.1601 367036.6863 328183.1399 432228.5382 357991.0599 378944.2472 371442.0332 368910.6094 428861.8327 67726.0447 67156.7982 65976.4337 62931.5665 496429.4247 537049.1460 528000.2759 541074.3294 305839.0296 346184.3210 342800.7160 380946.4005 213538.5658 247841.4373 253626.4344 240242.7925 231948.4698 236840.8286 214693.2856 244194.4353 250977.8140 309418.6893 187516.0769 382230.3532 257022.7929 279512.3061 210568.6077 303576.2841 282023.9658 413842.1293 182340.7162 235019.2633 241132.5777 277529.3876 331681.0400 229443.1000 403276.6501 457295.6358 310800.5833 301283.3533 340077.3240 240220.1369 598530.7869 368200.6234 215427.4098 536884.8530 293613.0226 219874.6992 252611.4122 295464.0197 260553.3856 353782.1616 FA(14:0-OH) 29906.2539 25791.2156 103682.5012 34968.8249 33592.4488 74914.2241 30869.8762 40872.8913 39241.4719 34069.1511 8659.0000 5697.0000 7741.0000 4623.0000 10549.0000 5734.0000 8753.0000 6667.0000 31417.7405 32796.3199 27201.3494 28474.1912 33230.1490 32790.6270 33326.7366 28315.6768 29249.0817 37649.8159 35012.5208 40522.0542 36889.2662 34019.0395 35535.6649 37926.4940 39687.5498 27818.5697 40028.0543 34034.9490 38597.0879 5647.0384 4713.2450 8330.0297 7744.5827 37311.3746 44369.9283 57850.1379 62787.9537 20260.5106 22167.8955 26766.7496 25515.6703 37373.5119 31414.2739 46225.2764 38676.1379 35083.2002 39084.8304 34866.8819 33813.0388 34913.7643 39447.4690 33796.6629 43376.3005 54693.6245 26773.1788 27719.8168 57164.1654 34695.5026 8377.9778 27042.1734 34204.5402 22026.0746 35774.1617 22865.4156 26815.1386 52402.3503 30638.5782 26177.5106 38043.5891 24504.3627 23196.1263 90333.6834 32914.4855 23733.9611 37374.8526 28791.6998 19128.6221 27077.4100 28219.6879 27960.1607 42531.0392 FA(14:1) 53814.1967 63597.4690 136309.8347 83130.7680 72114.6223 135359.1291 73784.9745 74249.9118 95558.6141 79751.9880 3930.0000 2818.0000 4025.0000 3229.0000 68733.7899 87577.6925 89959.9724 86325.9704 73100.5886 73846.0333 79123.7811 80899.3927 86468.7242 82777.6642 80721.3569 67662.5840 230207.3866 67191.4331 69408.9266 69889.7378 67424.5874 71690.4897 79799.0064 78550.0075 89284.1494 39914.4750 42955.2848 36882.7085 49411.8658 96445.0803 103350.3858 131320.2379 127004.7509 42254.5813 41763.9615 55343.9223 50173.4525 79540.6148 83729.5899 74024.1441 58405.0907 67270.9506 65160.6014 70718.7739 66126.8536 55930.8515 79326.3998 75519.1598 156392.7729 68463.6533 77886.1355 61465.9993 88020.3690 77717.1885 100104.3344 48422.6410 51807.2492 53570.5829 67185.2663 61011.5688 49935.3822 83497.1326 84042.8316 60064.6035 81466.4414 55426.2952 56235.9459 156707.8717 95905.2695 57336.7826 87405.9042 69588.1005 67250.7167 62519.4702 75920.6596 78247.3530 183101.2261 FA(14:2) 45081.6859 50327.7621 96856.9082 46715.4652 54387.5645 103316.6733 52236.5321 61644.0134 60102.6274 63633.0822 67655.2222 65015.0758 67194.6276 63790.1408 65181.9444 65267.8676 67839.5142 64481.2757 73169.3711 71358.5057 67086.1967 67782.7365 69818.1967 73615.9376 66469.3094 69134.1656 70111.0850 63369.4015 65776.5049 67867.1584 65004.8556 75334.3499 57546.3443 63145.7835 77396.4114 61877.0468 65889.0233 61757.0202 61985.7828 30484.2150 29127.5491 29674.2076 31462.4184 60875.9034 50340.8715 52270.3110 46879.9930 45163.2771 46103.1191 59983.3381 58094.6359 40891.9890 55447.8463 61964.1931 57875.5082 47486.1872 60124.6444 43189.9938 57210.1532 60408.2789 59762.8352 38733.8325 54331.3601 44703.0424 53403.8167 37315.9572 45990.7491 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3483430.7134 5308317.1575 5645193.9091 4878551.9026 5873524.4554 4266296.9507 6716042.7782 12824904.6613 7137616.8594 5956045.0086 6473058.3308 4428701.9182 10908449.0400 5309864.4465 4427260.8357 8304861.4999 5830920.6588 6471599.9969 4547272.0796 6865323.3695 7697328.8953 6153536.1836 FA(18:3) 536731.8344 741982.4892 1613893.1589 864398.5456 935359.8251 1346535.2955 760233.5614 769232.8443 2135830.1592 821816.0548 3481.0000 2187.0000 10971.0000 5093.0000 3909.0000 2299.0000 2803.0000 2463.0000 861393.7138 933879.6663 765616.6138 947644.9005 831937.1946 923395.8283 1033612.2436 955019.5731 1113582.0843 1193984.0095 1314506.4234 1096847.3815 1209334.5405 986566.9224 1007570.7784 1064923.0942 1188750.1052 869813.4961 884515.6984 815278.7198 845310.1093 225364.1995 203054.9334 173668.6950 186253.2216 2089835.7281 1724582.4538 1865767.5485 1768773.7949 829062.1486 884108.9583 840730.0857 833020.9067 646717.1709 669152.5008 694287.8847 552551.7762 639471.5778 672967.7003 518877.9372 490447.5675 579797.8844 901547.1933 607861.2517 590316.5330 665444.0985 738406.2679 626294.2275 1097949.7728 575728.2704 954453.8286 407637.5092 677372.9672 710854.8612 603057.8302 1024989.9068 685620.4892 1075300.6011 1883048.2813 929067.8827 972856.2424 1198105.2787 631737.7151 1882264.8923 795847.2224 532669.8877 1354869.6729 929451.0350 855441.4875 539517.4615 809399.1718 816021.3200 852820.3365 FA(18:4) 24011.9216 32778.7339 82072.2747 35236.3755 35851.7675 51112.6072 25759.7997 27458.2378 67247.8898 29405.4981 35453.2155 34797.7702 28702.9712 35612.2222 31976.9727 34267.3193 40711.2602 35750.7256 41444.0176 45274.2149 49617.8611 42854.5866 47214.5012 36803.5668 36015.7553 39838.2946 46904.7229 33776.7943 32717.0651 30608.6899 31627.9816 23854.0178 22024.8227 17429.2723 19736.6497 56662.4931 49041.2396 48298.5500 44091.3036 30720.3607 33902.0031 31976.3239 31927.5504 28903.6967 25515.9839 31827.3460 23413.9741 25580.1328 25181.3885 17829.5289 21434.6586 21654.3795 32076.3108 24714.2091 22232.2106 22691.9703 26470.6451 25774.1289 29095.8098 18361.3841 30388.7374 16298.3921 19740.4040 26590.6927 26846.0250 38958.3858 28823.3799 43193.5268 85478.1317 48411.8751 35851.7541 35814.4193 27477.1850 81356.0209 33808.7834 23819.1597 43860.8856 40422.8698 24751.8675 22148.0479 25318.8274 27234.1933 36381.0823 FA(19:1) 50838.1267 65127.8256 138476.0449 69040.4419 73065.7049 116215.2745 75927.1664 79095.6311 192368.9695 120792.5704 95760.2317 96712.0983 90432.4604 103510.9654 91596.2197 108396.0542 116715.9179 92247.8092 108940.9693 164883.8171 164287.4825 147337.3290 153908.9235 130003.8975 134729.2329 136776.0143 153373.6758 91207.7793 102086.1392 91345.2561 95621.5564 38838.4001 36278.7103 31058.6369 28927.1350 171630.1149 130624.7681 148826.9780 131392.1466 76091.6551 75796.4595 64450.1285 63445.4191 54629.4469 79391.8706 61092.7762 58596.1155 61478.7899 72668.0326 70453.9580 49243.2689 53761.8647 88862.2273 59854.6222 155145.0100 77900.4971 98231.4696 67510.4501 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13481.5748 13941.3912 12177.4439 15068.3588 12594.9202 12930.0199 13495.1532 13475.2405 14114.6686 11259.2979 13038.1228 5481.0687 7344.0675 5340.9536 5886.8130 5414.8781 5359.9421 4359.9326 5920.9737 6998.0270 5170.7600 7532.4746 5728.0490 5078.7184 4122.3966 5034.5790 4710.6577 4840.9651 4593.4611 4932.5215 5480.1546 4622.4430 5633.8239 4837.4292 5147.3762 5242.0952 4710.1340 4556.9549 3827.3182 4639.1581 5655.4892 6284.4828 4417.7320 5617.8437 4485.7297 4987.4250 4396.3964 5410.4903 6454.2125 5089.0706 4878.4445 4041.9052 4524.5919 4241.3528 4250.4153 4924.0712 5042.9819 5275.9202 4911.5186 4886.5748 4286.2351 5046.8197 5250.5200 FA(8:0-OH) 5172.6040 6466.0064 14408.9771 5621.9231 6365.5004 13789.5445 10446.3890 7922.4179 10783.7980 9169.1455 12813.1132 13320.9918 14212.1426 14183.2058 15321.3038 14954.5475 14634.5449 14460.2850 13563.8183 12373.6602 11833.4997 11288.2207 11042.8627 11349.1944 11486.8442 11871.3256 10521.2148 14350.7356 15276.4004 14365.3630 15417.6819 3794.7350 4220.9348 3490.9556 4366.7429 14311.8892 16044.2548 17357.0554 17985.5370 6639.9325 8869.1895 8134.7371 10350.5296 7579.3829 6485.2650 7379.2486 5912.3376 7242.6113 10904.2739 7658.2898 10335.9446 8407.2028 8154.1525 3740.5276 7121.4076 8100.5347 7783.4342 5056.7398 11855.0262 12337.7085 11959.6665 6118.1045 8393.6874 5242.7763 4672.8505 6187.0996 4080.8229 7159.5057 6163.6640 8450.0628 7952.5566 4882.0499 5653.2430 10799.7160 7457.9311 5065.3762 7660.7297 8055.8353 7843.0232 8987.8861 8787.3657 9413.1206 12802.7921 FA(9:0-COOH) 48972.4963 74702.8170 46829.2804 54826.8965 68477.9993 80433.6970 54273.4218 33534.5659 41839.6624 48558.9422 35625.0000 33720.0000 35902.0000 36021.0000 27917.0000 29075.0000 25612.0000 26788.0000 150119.0208 146002.6080 150849.4466 146728.7820 143175.6831 143590.1916 149729.0425 150448.3069 150153.9622 162318.6412 160499.2255 159409.4606 156028.9709 155611.7324 191175.7339 180849.4175 155063.5956 143144.8085 150355.6959 153174.0867 143569.8712 110134.9046 104901.5282 102388.4960 105482.2446 92731.0347 91924.4345 85992.4979 92917.9908 56796.8683 58266.9694 59714.1311 64451.9506 69540.6207 70515.6435 66332.7233 75713.3219 81436.0718 49506.3631 49291.0318 47693.5053 50055.7803 34051.1713 56718.0511 59331.8178 84514.1658 70645.0025 100386.5486 40609.8691 42964.4798 45598.2642 37854.2947 27541.5347 48283.3787 80800.1378 69867.1201 48413.9641 49167.1565 44730.1296 65041.8875 42537.4625 32668.4080 28137.4995 73189.1557 69200.4302 51569.6529 7868.8535 99110.3825 40554.5495 61545.4947 47004.4015 37235.4189 54644.2508 gamma-glutamylisoleucine 11875.6173 9916.7957 10991.6747 7288.6714 9104.7740 9413.0124 10466.0932 8600.8313 10944.0630 9486.8784 10774.5738 9702.2201 11512.6901 10864.5986 11901.1464 10720.4405 11193.7527 9595.0642 11380.2586 10139.7991 11511.4465 11998.2049 11501.7377 12363.4670 10828.7301 9008.7301 12215.4890 10027.3972 10569.8117 9495.1295 9965.0515 11283.9053 11698.7294 10898.0542 12491.9737 10104.6763 10843.7912 9258.2589 8540.8199 6465.6900 7023.9458 6877.0150 6847.3513 11705.3171 7925.8128 10129.7514 9537.2775 9063.8194 7850.3462 9263.6392 9498.0181 7562.4161 9255.0440 8191.0093 9779.1281 8930.4255 11298.1151 9522.7938 8484.4700 10282.5315 8962.3053 7846.8167 9719.9034 9384.3668 9633.8576 8963.2338 7809.7317 9455.4106 6199.0532 9563.6033 8241.5494 5633.9031 6929.5673 13650.1181 11566.2625 8944.4471 10584.0979 9823.0160 6539.1913 9476.9280 8803.5214 8672.6986 8459.1425 gamma-glutamylleucine 77988.6793 62504.0235 76182.4075 62453.2106 68917.5125 72579.0785 66183.2201 65181.4646 92867.4442 68618.7897 73111.2088 65586.1858 64602.2539 66481.3399 65038.9359 67401.1731 68642.4006 64888.6421 67229.8228 66441.1767 69498.8626 61966.6741 64722.2677 61942.0769 68963.6918 64170.1982 63957.8323 69284.0795 64457.1700 67523.2301 66054.0424 15089.6136 13148.4152 14495.8729 13494.5791 75896.1268 73596.4219 75246.3306 74221.4518 66793.2704 65246.0408 67097.6810 63905.8517 67409.9110 55379.7757 75080.5661 66376.5876 71006.0225 67063.9219 65933.5222 72203.3911 61320.4824 66636.1085 61325.3208 63838.6800 66449.1815 66675.5257 75981.3146 66442.5371 67995.2038 72763.1006 53020.1141 55606.4115 61788.3409 70923.9864 71792.7914 58636.4763 68052.0390 58223.1232 61350.7668 64946.0322 57096.0742 57331.9102 80346.3833 70847.7793 61843.1385 59234.0267 70787.0200 49612.2722 63554.3107 54522.3785 62315.0011 63515.9383 glutamate 769388.2189 620674.3282 781784.5514 617396.6370 715095.6427 693065.7191 709508.5506 645910.3520 32950.2175 616269.9063 543563.8253 558731.3613 508989.3399 533166.4509 524793.7465 529884.3946 510242.1497 501100.0857 498045.0877 523803.8013 558140.2489 538449.9522 578562.8296 624828.3285 558279.8589 611808.9232 569779.7564 521519.8929 522880.5403 500411.1292 513841.6384 90098.0497 89227.6592 90032.3538 110114.6822 603644.6147 587059.0018 520567.3699 517311.8520 787592.1572 767923.1039 738149.0844 724390.7762 634499.4109 583490.9923 739755.6628 697623.5134 694832.9926 732066.8461 672036.6488 641516.3693 592004.4490 723518.6822 585673.3341 616208.6159 658031.6107 616208.4873 698662.2541 569623.9858 646523.3604 631218.8234 561180.1922 560938.8869 753131.7604 584127.8135 623810.0968 561917.9169 549726.6887 704998.9036 608174.0230 652310.0118 849675.5300 743587.9841 631148.4423 22423.7012 870638.1750 614212.1452 690671.5341 703298.4579 599317.4373 538378.1594 725278.2603 484619.3620 glutamine 332939.8887 299766.8021 305248.0052 261473.8241 283868.1535 346656.9800 294725.0042 277182.3058 278016.7161 286449.8790 6908.0000 6862.0000 1522.0000 1422.0000 265492.4606 270474.0669 273490.5249 276804.8035 266533.4356 274985.6928 273546.0884 271786.2672 289614.6954 278916.3883 272153.7893 261254.2817 274414.2720 276261.3691 280313.3542 271836.1724 271252.9278 259267.4718 277755.8380 274618.5896 285180.4219 119046.6181 118068.3725 129785.2000 126752.8106 344451.5395 349060.8365 363254.6310 382627.8638 255762.7536 276168.0849 289441.3595 283923.3683 347191.9715 321808.4713 304332.4646 303367.5474 298396.1867 326066.8138 337444.3467 333184.2702 308311.8011 287976.9008 318038.7059 300124.2067 304867.9178 277988.9498 290206.3322 323624.1400 280675.0628 286805.8909 300043.2219 300618.6657 288382.3955 284536.3630 276539.0553 281434.2311 291317.5716 259792.1486 252858.0171 294633.8856 300356.6916 280076.9649 280784.0909 252115.4418 271631.0365 249548.9289 289280.3596 301764.7092 281511.3512 274174.1634 249498.0618 299617.8580 glutarate 6684.7567 3994.8040 3912.2958 7012.2712 3452.2943 3791.4662 12457.3112 4381.6748 3771.2661 3384.6595 4939.6510 4761.0855 5292.1629 4873.1011 4596.7214 5550.5820 5216.0179 5161.1013 5027.2050 4817.5678 3386.8318 3896.2231 4389.0555 3539.2803 3644.9990 3843.2734 3698.9995 6209.0964 5819.0152 4957.2227 5832.0711 8654.0496 7756.4289 7493.3956 7794.5587 3121.2937 4723.6688 2744.4361 4326.3827 2617.1000 3700.6594 3232.9831 2550.2834 19695.9596 4650.2660 8317.8814 8203.2731 6707.9306 2951.3300 3114.4576 5755.1323 2941.7989 3559.1511 3869.3641 3834.2406 3984.0085 3204.8588 4004.3823 7846.1838 5270.4000 3645.7943 1260.4512 3742.8048 3043.0613 3430.6325 1684.6525 2804.6185 3425.8756 1634.2043 12600.5129 4026.7823 2101.7915 2799.5796 7850.0523 3567.6862 7465.9097 5030.3851 2840.5721 5795.3993 2609.0969 4979.6751 1788.6355 4027.7807 glycochenodeoxycholate 63754.5995 35948.2601 39996.7123 31442.9963 43495.6807 25090.1565 17393.5557 6845.7538 15355.8822 9985.9467 25746.9073 25571.1510 23490.3465 23131.7263 23331.9796 21008.9058 25564.2262 21082.2289 25139.0253 26753.8780 29435.0253 26853.5400 23974.5184 28231.0932 29775.4923 28126.5044 24507.0103 28179.5632 23450.8090 22455.7471 25904.8728 13702.2588 14755.8000 13237.2002 13972.7041 18720.3736 13474.1095 11510.2780 12338.6372 10920.4927 13669.5414 10644.4961 14026.4269 18369.9450 12974.1682 65744.4635 80880.3962 130812.8669 7517.4222 9513.5995 11301.2600 7606.4010 7723.9212 9741.9527 38255.5192 40253.6363 34993.1434 50169.8467 7378.4154 16545.0433 22326.1090 7908.7587 6439.3822 39794.6098 36506.4478 54100.2713 20056.8918 48820.5668 6284.4306 8640.6947 7124.8230 5495.1963 7340.5753 34045.9292 15749.8665 36642.3864 51975.4864 53831.6448 9085.3384 41242.1304 7150.3886 13931.1474 12070.6633 glycocholate 1406986.8009 1166362.7753 1024631.5111 426910.4220 1008701.8658 639526.3548 1602308.8620 190099.2956 897874.2786 144769.0938 6432.0000 7157.0000 7980.0000 7095.0000 614088.8174 624533.7945 585625.3765 602573.4107 611859.1699 627383.8622 590994.5718 583509.4487 588289.4812 623370.4302 669381.7866 618378.9213 690880.8572 732239.9337 648362.6519 699466.7723 697947.1891 582160.4239 600533.8186 581544.6930 633675.5318 35153.1235 35143.8797 39174.4107 35110.6640 96435.0140 95658.7765 92971.8294 94604.3863 193337.3508 207549.7004 215209.5265 202747.7126 247104.9057 289106.2936 2946131.4948 1441465.3765 2505993.2025 49977.2216 431510.0768 106779.0395 147216.7151 61842.2761 19901.2628 1142473.7881 759217.2552 282753.7317 1550328.3111 45584.3859 608554.5303 890848.9477 132993.6512 120023.2789 809384.8620 766918.5319 2446105.1607 292892.0948 749296.0735 32638.3101 35327.8513 27229.9274 148185.9400 126690.5982 959173.7970 320809.2961 941411.1347 1306921.5108 944067.8529 131495.0584 1124112.2501 123205.1141 535369.3482 190228.7077 glycodeoxycholate 15769.7522 5745.4927 14187.0634 5152.4514 15266.7398 51473.1405 23971.4682 23414.7146 16799.1731 12509.3272 16654.1598 22870.0262 22558.0542 16371.2614 16075.5704 16031.0339 18875.6640 17928.0851 20331.5999 19219.4951 17884.5943 19280.2929 17569.6111 19647.0588 20361.1675 16510.5726 20476.5209 16455.6825 17455.0306 15251.9701 17312.9843 3100.5752 3016.7835 1975.9463 3335.5231 8188.5913 8859.8778 6651.7795 6270.4294 12906.1323 14518.3256 14536.1269 11607.5122 9264.6626 6450.6721 26551.8686 33305.7025 55663.4106 7610.0767 30181.5764 12257.0529 6333.2481 10267.6208 6505.6083 6622.1140 14704.2340 11293.2091 10248.4212 9563.1541 26908.7877 25287.1070 7564.3637 15140.4655 15102.9554 8544.9777 15746.9830 14154.3155 8645.1460 7265.1128 3980.5190 10011.4684 6817.4663 11274.3580 15426.1174 10443.6035 9486.4500 7560.4104 18017.2351 13402.0290 115553.6031 8350.5393 7998.0097 14492.8271 glycohyocholate 1286863.9758 1302219.9551 945788.4109 497858.7142 957525.8112 695494.5721 1300708.1042 174576.8556 611626.5824 147116.5566 6198.0000 6302.0000 7834.0000 7074.0000 655350.7022 638535.8168 618011.2550 643325.7432 631425.9788 656084.6940 633525.8698 648510.7180 677870.5956 641113.8094 607003.2515 578184.4215 607731.1810 595909.5156 604305.3691 610053.8140 614849.7764 624198.5595 626784.9095 623726.9593 673520.5143 30388.2599 29705.0638 33550.9075 26842.3701 93397.6253 92849.5405 98870.4291 100311.3228 183129.6285 191160.9877 199841.3927 198152.8892 295745.5036 355987.4755 2907529.7734 1499216.0735 2621031.2379 44839.9193 420858.6262 99794.6404 135655.3770 50696.8003 26760.6458 1316610.7222 765929.6621 327055.7992 1633962.6805 47827.3043 583822.3033 847472.5567 146030.5923 129857.7684 788146.5428 1022793.7020 2687366.0576 346628.6313 969194.5753 28744.3013 33894.9848 26224.4040 114845.7525 107182.1003 971541.5249 275254.5625 815322.5325 1351198.6528 937062.1154 115590.6957 1126774.4375 120434.3934 443458.3999 250108.5165 glycohyodeoxycholate 20902.2159 20010.1642 22557.3295 10610.5726 16366.4256 12774.6884 12357.3213 8690.9418 9734.9559 7705.4321 28908.4889 28706.4439 29126.7123 28345.3814 28130.0919 27530.5333 28167.1913 30185.5023 29508.3307 21182.1553 19640.4633 19587.7582 18308.9552 19083.8407 16861.4621 19867.7453 20403.4704 28420.8678 26998.6105 29463.9044 28669.1873 10718.9473 12335.0053 12798.5001 10840.4501 6481.9531 4910.8403 5061.3818 5410.2690 5828.4472 6357.3530 5590.4054 6097.9510 32091.6219 22173.9965 38152.3477 159792.5052 381926.1748 6947.1392 10966.0261 31256.3417 6763.6817 17903.0760 11053.7227 107939.7525 100198.9803 43978.1476 92686.9789 19140.9817 13363.9980 22807.1018 6435.2971 15374.4640 13131.0098 14834.0812 27322.3446 10479.2462 16425.8781 6320.4352 7465.1078 6827.9418 12980.3102 18147.5962 18366.1122 10675.0214 18283.3429 20420.8057 19777.5867 7633.2121 21443.2609 5589.5496 8291.1698 9498.1751 glycoursodeoxycholate 22085.6104 20460.2631 23336.1475 10989.1544 16574.7362 13036.7592 12873.0129 8846.2233 9895.4168 8086.4915 29127.4196 29178.2758 29126.7123 28844.1048 28457.8323 27984.0639 28820.5906 31034.7373 30215.1719 21755.1214 20300.5378 19846.1225 18623.3220 19616.6145 20179.6573 20577.1036 20640.2953 29110.5475 27563.5782 30068.4666 29283.6376 10768.6744 12500.3465 12985.8995 10840.4501 6979.9356 4964.2738 5061.3818 5585.1071 6308.0030 6663.0340 5666.5894 6385.4243 32479.7498 22250.5385 39931.0879 160575.2032 383281.5085 7183.6850 11214.0719 31634.4211 6987.0835 18068.2044 11053.7227 108458.9166 104976.3772 44101.9811 93309.7180 19611.5092 13751.8252 23585.3961 6496.4310 15374.4640 13409.2298 15338.4939 27687.0136 10532.2338 16842.4874 6379.4776 7641.1479 6994.8319 13189.2527 18320.8318 18907.8547 11118.9863 18691.6333 20719.3170 20392.0201 7774.1032 22142.0490 5902.0613 8880.3089 9661.8847 hippurate 83155.7720 92513.3843 67818.2673 126187.5730 202760.4948 59899.7964 114418.6128 71357.1583 156400.8656 41760.8664 91142.6489 86698.8951 90886.2206 87591.2833 86199.3757 88711.7736 85564.9713 85617.0264 87423.8984 85766.1853 90135.3374 82796.7705 81548.0650 81608.6807 86652.8229 79479.3678 79238.2291 88961.7803 86509.5795 88428.7936 84619.0291 68279.1274 69524.4433 69359.8856 68982.4315 136413.1972 135459.6193 134405.6137 135486.3086 110199.1918 110722.9142 110691.7936 109599.9207 60094.4901 77021.4949 34458.3458 150433.3927 74198.7065 54468.1045 22001.6639 9249.7247 33607.7714 52819.4780 57853.5513 98625.8208 69057.2967 90299.4649 113439.7367 55987.2289 88075.5245 67613.0899 96939.5700 45950.1381 69894.5900 113880.3012 101509.8305 76211.7802 107317.3401 71402.7696 97605.3153 51805.8767 74512.8145 67820.7176 82664.7703 128395.2496 138379.7489 136046.1144 245190.3550 62248.1187 65770.4463 78717.0913 77978.5931 67485.6845 histidine 49479.4208 40357.1864 45565.2421 48922.2970 38187.4204 58882.2761 51848.6718 45607.6065 44440.6664 47070.6633 49103.4152 54361.3438 56732.0288 56289.1403 51734.6313 44410.5843 53171.2698 51810.5784 56953.1612 59618.4346 44013.6019 49569.4220 164401.8957 44057.4316 51335.3546 45882.3254 46167.7702 49428.6205 49209.4214 48568.0000 58376.6945 716187.3532 726891.2279 634800.8036 823892.0393 45875.1726 45612.9937 57748.0092 54641.2797 32731.6302 34578.3658 44791.9524 40395.4849 58506.0720 44799.4177 43525.3596 46516.6800 47975.7949 43070.8981 41939.8951 47315.9899 44191.2549 48228.2125 35207.7191 42583.3734 38723.4112 35865.4098 43750.6737 51695.5698 52841.8378 48769.5118 39547.5095 32810.4021 39313.2218 47367.9705 53480.5687 42714.8306 50672.1158 51386.7249 52255.5872 46758.5277 32523.8782 32424.6317 50178.8340 44468.6583 46952.4784 46291.4362 50722.0862 39384.2784 45913.0714 49129.6473 57033.7244 61877.8091 hydroxyindole acetate 8012.9587 10809.2933 8414.2704 5865.6011 8319.6836 12175.5849 13335.1845 5691.0901 9914.1369 7634.4792 5933.3625 6773.0523 6829.4286 5725.7726 5320.6666 6741.4410 6082.2252 7513.5241 5946.1305 6475.6092 6995.0465 6855.3845 6594.7371 7454.0773 6727.2940 7401.3608 6648.3434 5597.1595 6968.6290 5651.7831 5155.1938 1927.1258 2009.8640 1681.4064 2218.6256 11790.6452 10316.2170 9192.3479 8927.5247 5941.8908 7724.4008 7434.5624 7404.7484 6085.5354 10614.5778 6597.5401 6260.6442 17911.5948 6978.7353 5038.3485 7632.3926 6575.8664 5557.2887 5370.2610 9591.5019 8509.7207 3443.4536 7480.8973 7601.4538 5681.4789 5722.8820 2209.5480 3347.5121 9145.4105 1802.1927 6797.9715 3751.4291 4244.1896 3051.8125 3829.0842 8918.0356 3470.2497 4473.7466 966.3688 4684.0810 4755.0817 819.9437 2901.2483 2032.0560 1286.0480 2291.7699 3398.9271 2433.8338 hydroxyphenyllactic acid 39169.9251 30954.9314 39924.3358 37959.0760 46058.2528 31718.4642 35562.6128 28356.6587 36733.6871 22952.5089 31021.7400 40331.0229 41460.6579 35626.3779 30819.9721 34541.2442 36876.7995 36659.8087 34868.3348 36422.8509 32428.0267 31369.5322 108783.4701 27578.6248 32852.2338 31643.9622 31853.5325 36554.6207 35151.9259 35688.4331 43152.3657 233816.2803 232711.0996 194340.4432 257251.8799 40130.7020 48717.2114 52916.3235 48554.1735 17334.9796 18693.4872 19782.4002 17410.0309 49946.4841 41755.9471 39547.4517 44914.1013 46727.7253 28118.8149 26773.7720 23511.0191 27250.8596 23936.0881 30045.1988 42837.8001 33970.7944 43753.6412 48511.0415 26992.9399 30635.2115 34987.5450 23646.1438 20259.4139 33316.1181 39230.7010 51472.0968 32391.6770 47816.8367 32802.8611 35504.1838 30730.9223 18923.8531 19994.1820 56492.1412 40500.5715 39176.3295 33556.7008 51946.6360 25211.8664 31167.9870 30188.1087 29906.7968 41485.4461 hyodeoxycholate 15908.6162 6638.9048 19206.9172 4062.0465 16841.5243 7218.1620 33214.4005 14692.7230 17173.8250 20744.8407 13923.0109 15119.8362 14031.1165 13273.8308 13325.5315 13301.9983 13462.0010 12879.7476 14207.9203 14878.1052 18543.5876 15070.8461 18152.8389 18672.7097 15477.8617 18835.1580 16239.4737 11954.3673 13537.6691 12727.6335 12656.5030 8651.3124 6855.0779 8577.0474 6409.2769 9806.7906 10381.9620 10807.6037 9948.5488 21292.0144 22514.7387 24680.3908 19854.1292 14804.5808 11199.3565 33595.7708 16531.0990 63824.0207 8945.5501 22641.1170 31738.7053 10372.4990 13098.9676 20738.3095 23143.7432 10755.0488 18439.6968 18120.3574 14813.6539 13861.0070 12352.1147 10138.5779 12459.1300 15015.0296 5419.7580 19451.1826 7245.7478 6083.5386 13196.3572 14347.8492 15257.9709 18625.3277 22365.4019 15313.2915 16378.9107 8775.9560 6550.8857 11029.4370 16365.9683 17190.0360 10891.6073 10435.8451 8665.7340 indoleacrylate 21009.9538 17268.6474 21759.7690 16596.0988 21032.1186 19386.7982 18685.9668 18865.5992 25298.8257 15570.0493 18271.7089 17755.0712 19114.1637 18417.0087 20022.9074 20231.6322 20403.4938 20082.8446 18695.2549 19557.7811 18810.1402 20227.3341 18984.4970 18215.2489 19158.5577 18259.8504 20396.1819 20209.8404 21147.7962 19725.5747 20098.8996 18253.8862 17705.8519 17353.9555 18243.2552 23845.4821 23058.5569 22624.4958 24103.9888 21819.7169 19953.0850 21085.6531 19342.5419 20189.4894 17821.7640 25904.3774 19668.9858 19916.8375 17402.6013 17136.1432 16741.5508 17339.8875 17501.9551 19381.6616 19462.7187 23826.7878 23574.6077 23313.0734 18821.0359 19169.8384 19041.1144 13811.8709 15835.1732 20403.1638 19702.9285 21940.2465 20032.1598 20006.6330 17445.7261 22686.6750 17333.7852 17529.7302 16367.9177 21045.9766 20837.1969 18926.3061 21830.2495 21950.9494 16363.1940 19394.9939 17659.9972 20539.9863 21542.7063 indole lactate 9315.1990 6735.8027 5694.7722 11824.5290 8711.4973 9133.8639 8507.1681 7444.0662 9553.9301 7598.3205 7716.4698 9687.4960 9399.3488 10278.8184 7864.7874 9628.3188 7932.9938 9616.9191 10201.0128 9687.9855 9661.5224 9338.6780 25654.4340 7668.2872 9536.4356 8841.6648 9231.4644 7569.2269 8626.2834 7860.4477 10168.7152 20160.6451 24036.0976 16646.6096 27912.4996 11525.6666 13000.7591 18074.5585 16269.7062 5697.5628 5924.3302 8264.9637 6410.0406 11671.6603 7286.4016 7967.4419 10550.8335 9570.6136 8455.3345 8045.0678 6705.5823 6718.9928 9652.1753 8530.3253 11425.4129 7736.8382 11586.7683 9510.6202 6157.3410 8829.1669 8630.7493 6119.8288 7913.7971 8477.9656 7430.9734 11214.3960 6816.4196 6829.1434 13347.1032 10636.8728 7472.3296 6342.1837 7934.8656 10394.4995 9615.5655 8916.8024 8276.1964 10523.1806 5971.3796 7219.7914 7543.4927 9328.4722 13047.6907 ketoleucine 196017.2329 117068.5101 133878.6302 72622.7074 139348.9800 60791.8088 131751.5991 85341.6004 119830.9890 108647.8113 105213.4589 115468.2583 103393.8330 127376.6894 105562.8465 122188.3398 111047.0280 118272.0731 146464.7499 98220.0550 129524.2530 80942.0709 80606.8948 81941.2366 115761.2686 109141.9302 113292.0062 103273.2622 119916.2494 129975.9356 117689.1914 298804.3944 310105.4673 332240.9873 303579.4026 179226.7020 168654.1332 205105.5468 195424.0031 61885.4088 77207.9050 85257.0424 87226.9745 96033.7185 86707.0326 120331.0954 146193.4389 101119.5528 102357.4236 94308.4881 135530.4292 91900.1632 93840.1755 76799.9492 135550.3916 158911.0060 169425.6810 142117.2951 117063.0867 90031.7786 127069.7377 78156.6669 74633.1892 116790.9254 105970.3842 127876.1262 99121.2643 87984.2144 86791.9344 116065.0334 110157.6180 94486.9665 97660.7324 151614.1395 128002.9595 109824.0681 110321.2475 145419.8492 83574.6610 106109.4449 92854.5671 124752.0905 126663.4523 kynurenate 8337.8320 3524.0456 4837.5441 12857.5853 3757.9547 3428.6728 12343.4582 5514.6725 3894.2624 3737.9285 4613.5860 4995.4659 5301.9365 5183.8037 4873.9748 5337.5764 5010.6155 5510.1419 4792.7778 5106.6399 5386.0968 7080.4665 5796.2670 6020.5125 6003.8453 5666.7461 5890.7641 5668.6674 5023.4051 5205.8844 5932.7408 8727.3962 9622.7330 10899.4236 10867.0888 5627.5775 5028.8810 6447.6612 8540.1481 2942.7209 1936.9357 2149.7421 2749.6674 42931.7058 3601.7193 16396.1197 13979.3270 5293.5134 3545.6431 3865.3244 8586.3096 3470.4069 3720.0369 7958.9496 5477.2064 3554.6361 4079.3992 4413.1647 13649.7312 7466.1683 3133.9890 2903.6365 4837.0410 1739.2434 4498.9113 4489.7533 3209.4344 4804.8270 2453.1942 11391.8421 2451.9252 2295.3772 3810.6201 25195.1593 3139.6360 9385.6580 10041.8533 3474.5177 8804.8762 4350.3402 10034.6117 1837.8044 5908.0613 lactate 1683513.3763 937562.6562 1897703.7919 1579914.3585 1505898.1536 2140655.2939 1399054.0814 1026778.2041 1102519.9331 964138.0278 14233.0000 14399.0000 12661.0000 14692.0000 9298.0000 8882.0000 9252.0000 8330.0000 1482323.4210 1459771.6682 1487805.8220 1497050.5359 1480119.6884 1474191.3206 1492661.3339 1419329.6440 1513267.6252 1498723.5594 1445218.3335 1491982.7626 1467701.7402 1484407.3594 1488812.6473 1465620.0255 1442146.0822 1460890.3942 1464396.4143 1457006.1780 1474681.7233 2037042.0114 2011997.8689 2091220.1577 2080235.3483 2090810.7725 2073048.0805 2155391.8855 2232968.9937 1130474.5014 1171605.3142 1224095.9732 1168879.0661 2940385.1520 1508682.7896 1610829.3041 1535400.2916 1818089.6353 1195638.8918 1429002.0243 1407561.4407 896744.4085 872486.7233 2520348.6999 1715386.6039 1374150.4248 1675275.4012 1108273.2894 1287653.8573 1589629.5364 1244364.2238 1307670.1467 1224507.6216 1356671.2136 1494594.2758 2053477.9827 1495211.9629 1742820.5822 1212466.6037 797686.1459 1219194.6401 1089501.6622 953836.9068 1882950.0009 1437044.8088 1830114.6374 1503188.7037 1510751.4068 1257768.0692 1399772.7874 837481.7614 1189640.0437 1643415.2853 lithocholate glycine conjugate 13332.0436 10611.2956 10630.4343 12021.4498 11875.4963 9358.3865 10327.8666 11189.9859 9532.5205 9132.3256 10738.9604 9022.0851 10334.1040 10025.5411 8411.9149 5380.2278 5828.1799 6125.0548 4885.7785 4419.0859 5182.1118 8425.6452 8327.2406 10430.9714 9631.7875 11249.2197 12557.5753 5802.1120 4635.5710 9671.1030 4656.7497 4877.1168 8516.1824 10494.3032 8656.2050 6542.5606 12582.2975 12584.9004 7159.7723 14392.4861 16536.0623 13948.2915 17380.1083 15167.2670 10320.8955 10170.8303 7183.6310 13330.9038 5658.0970 6769.1671 9326.0342 9869.2333 10558.9203 12448.9493 8323.9870 malate 768690.4615 576970.2655 700028.6983 613281.9529 610816.6856 770638.5534 552178.4421 467870.5962 533430.3514 504231.6465 524742.5364 562236.0949 517073.5662 596905.0292 494171.6943 534800.5195 500432.2770 512860.0429 568444.1054 555104.0744 932596.2162 666137.2444 639022.5462 613677.8693 776264.0631 849114.9695 801121.1915 511424.6101 548242.3898 576192.5414 526458.2620 867598.9372 915462.5756 846924.5432 841639.1955 707521.6812 732228.8066 764332.3418 707978.4581 499375.1180 581053.2207 546668.6680 533392.2184 921813.0261 527455.2534 738481.1994 696351.3997 768220.2067 529165.4656 533196.2457 653462.8862 374404.7592 462035.5170 624505.7673 698843.6431 592307.6655 648066.3846 629253.5464 528810.7705 584712.5416 660360.7975 425671.4708 504904.9343 498699.7232 591363.3463 682554.4305 493486.2420 613214.5675 459774.1220 582284.4333 494324.7888 447662.7649 428496.3231 707249.1305 576512.3117 601508.6151 599854.7736 705336.5401 441813.3356 587175.9010 380776.8661 580225.5756 722185.8644 maleate 1420331.2049 1070751.2665 1238416.0117 1188015.5460 1121865.2075 1693789.5603 1139679.7658 1129921.3739 1423337.4618 1053048.5332 1049368.5276 1090289.3475 979922.0906 1105635.8793 881666.4334 936415.0678 871983.1743 911816.2607 1004796.7089 320254.6375 470486.8613 298079.6395 324194.1970 317237.1602 417952.5599 404727.3938 390675.4271 969633.3086 1023069.0539 1046142.9389 915079.0185 478337.6111 481498.9695 497267.2137 442124.8869 1695823.2423 1633305.1550 1682344.8917 1524948.8125 1194520.6583 1401138.0315 1204425.1729 1228648.9458 1814336.8832 1032357.9179 1333245.1481 1430851.7320 1389689.4760 1241079.3821 1297675.9101 1365563.1837 877265.2380 1139418.4570 1307474.9336 1314284.5326 1252863.9534 1131962.6247 1378768.1368 1195208.0954 1451232.2525 1429288.9633 1089900.7071 1280456.0542 999474.8016 1236179.0162 1436145.6948 1056683.1713 1426089.5007 1181977.9025 1321565.0571 1294348.3418 942241.8474 990698.6573 1231973.0713 1143881.0398 1169781.0421 1083639.1095 1497671.0389 1000264.1125 1404577.2660 949553.2557 1225321.9041 1460524.4660 m-hydroxybenzoate 10828.4004 12929.3463 8125.7683 17950.1657 20827.8174 14182.3756 15924.0218 10138.9455 19950.3009 13081.0575 18683.6798 15537.0798 16651.7486 15701.5611 15409.5418 17137.3366 15960.8988 17545.6033 16515.7233 17923.1403 17979.2261 19601.3047 16090.7957 17825.0840 19768.9642 20541.3195 18180.8359 16355.7430 18926.7011 15645.5641 16553.7443 12858.2004 11282.8812 9743.8231 11224.9065 15360.6722 15303.3273 13528.0179 14752.0912 12885.7799 17605.3431 17305.1238 14834.1145 7056.1693 12654.6883 8001.6593 9604.5828 7004.2971 10437.5819 10398.5163 13754.2947 12506.0888 11856.7207 7739.7236 11975.4225 7887.7821 10922.0411 12316.4938 11248.9983 13046.4671 8931.6061 11319.4811 9449.6852 10072.6131 16118.2762 11064.2000 10132.2532 10573.9620 15692.5263 27343.5650 13322.7672 14460.9173 12123.9058 10908.9928 15416.5418 15731.9168 16253.7418 22538.5522 13948.2821 13480.8389 15662.5761 16053.7366 18836.4471 N-acetylleucine 31088.4089 21509.6690 27771.8385 26675.9406 26161.6650 27579.0890 19217.1892 15589.7880 21299.3990 19137.3880 21328.6287 25390.5425 25933.3359 23759.4927 23155.6540 21994.6395 25490.6797 24230.1091 27783.2377 29972.0033 29677.2261 27116.5719 82155.9845 26685.6948 26608.5714 26600.4872 26484.4743 21239.1817 24329.4147 23283.2463 25963.5003 14303.7479 11957.5125 11504.8393 14275.8586 20319.3686 22578.4319 27693.0257 23284.2043 12618.9853 12447.7405 15284.6891 13645.7723 45195.6017 27818.0896 30378.0521 34812.6183 33854.9276 15458.5324 19347.7925 20256.0411 22710.7757 14593.1309 24227.7521 32446.6420 22022.5783 31000.3732 32047.0068 21262.1466 23897.3642 24051.2197 20380.3247 13384.1423 19406.4152 23802.8972 30388.7860 24322.7220 29389.0572 18743.5672 16238.9051 18216.1884 13066.9367 14665.6468 31255.4396 23552.4233 25987.7610 18735.3121 24775.4343 15244.5589 19565.7617 16048.3516 29100.2370 35769.5381 N-acetylphenylalanine 8392.4010 9075.3970 11874.4779 7336.6554 6244.8907 7244.0367 7046.9444 5073.5193 12423.7148 6923.0339 6874.3198 6649.8012 6504.1262 8384.0805 7853.9378 7426.3253 7658.5919 6541.0604 8706.5207 11868.3303 12305.9378 11148.6519 12415.9356 10442.3124 10638.2377 11262.4096 12344.8845 5634.6830 7633.1745 6566.9816 6695.2426 5306.4944 5928.2272 6384.3887 5145.8937 9838.9528 8685.6039 11547.0520 8189.2826 6397.4764 8025.6526 7772.1933 7167.1274 10000.2897 6444.8318 8226.6153 6473.3731 13736.8706 7708.0359 5180.8451 9588.4105 8217.5479 6265.0463 8420.4404 9253.9487 10176.3336 12706.0530 8095.8685 8552.6880 4916.7982 4754.2272 4372.9258 2923.5309 9417.9109 1508.2037 11125.2912 8248.4736 5647.2877 7309.6963 6494.6512 7650.7403 7669.9523 7248.2149 5471.2726 8914.6655 9189.3732 2772.0490 6237.9569 6135.7255 6403.6161 3924.1073 6016.1416 8301.3480 N-methylaspartate 16867.1054 23627.1023 14594.5397 15480.2584 13982.2890 30189.1970 13054.4716 15413.8375 18324.1887 17590.1607 30641.5793 14549.9229 31974.7912 21021.1482 25149.6949 29677.9076 10273.1822 36516.4919 34194.4937 37287.8238 30511.0307 30741.1696 39225.0335 29120.6584 29949.4358 32050.0886 31253.9696 26126.6658 11556.1908 50026.9403 51885.2632 37528.2257 51690.8055 22774.2635 21175.3654 20001.3604 19231.1623 18584.2064 20483.5530 22068.2502 16848.0524 15558.7247 19658.1664 13701.4015 19358.2471 20324.2778 18887.5346 16899.8861 20855.0578 13924.9712 18537.1258 10447.2818 14203.6126 14127.8321 17096.3981 20887.8749 19525.6778 19100.2559 18304.1024 10836.2852 17840.4171 16054.6021 21548.7044 15463.6046 13295.0180 13802.3574 16888.6718 12865.0412 14633.1606 19751.7380 12553.4840 15496.7298 16110.8700 15155.7010 14297.8391 19755.7813 11462.9544 15181.8483 13826.7272 18202.2551 34737.4538 omega-muricholate 255500.3186 77349.1845 201318.8794 57409.4626 105258.3054 90879.6542 170435.2284 88770.2762 106437.1567 119304.6560 107898.4990 110186.1303 117051.5072 124718.5474 114811.0243 110103.2062 114101.1784 120424.5600 127120.7180 98658.1096 98112.2437 88939.3765 89516.0413 95618.4839 90941.4536 111065.9558 99586.9661 106408.5012 106011.9741 105705.4699 116097.8392 31613.7905 32616.4647 30023.5050 29822.3569 103288.2046 115312.5534 113193.0894 110822.0076 145731.3918 161275.9639 167634.3166 183814.8207 27732.0642 6556.1207 627756.9384 206188.6152 138517.4474 58475.7117 79819.7798 11237.9546 87375.1681 9424.2550 13791.8460 54060.5267 238808.3933 35864.3704 56567.8943 20548.3471 90219.9011 403722.8255 56651.2854 64774.3600 269394.3863 75697.2758 119417.3670 82450.1095 96753.6187 53882.4517 70873.3468 68476.4384 22842.1502 35985.5627 145870.1059 87275.5660 49432.3018 51985.2207 170903.4883 55106.1505 139692.0622 57096.0904 53675.0109 161030.3678 phenylacetate 5799.3538 4955.3707 4148.7613 9396.7128 10801.2902 8516.0861 7629.9800 27296.4820 23003.7817 9273.5174 11874.6560 11502.9885 11382.6624 11587.6996 12545.7156 13631.4168 12351.6717 13810.4635 12708.0371 10518.8173 9358.8492 7825.7729 8783.0555 9476.8681 10380.2915 10182.2569 9728.9350 14623.4682 10812.1894 9492.4882 8954.4352 4220.5639 3575.2918 6372.4967 2944.9407 8046.1495 7975.6815 8387.2696 7641.7188 8405.6582 7174.7947 6390.9739 7895.2900 3079.5135 4068.0143 5391.4513 4683.7715 5995.0953 9110.0086 2534.9787 9500.1329 12806.8477 7554.5499 2324.4598 2837.3790 8665.7188 4019.1184 3029.9070 6828.7253 12576.7295 8950.6475 6838.5856 10263.2033 5446.2792 5172.6178 7324.5306 24723.5643 5827.4608 5000.8170 8013.4690 38340.5003 9023.0924 10741.7106 4654.8288 6929.3868 7140.2278 6003.4462 22375.0260 16497.7238 9880.1333 10012.2938 10100.5291 14521.0519 phenylalanine 1072094.0578 836495.4933 1025729.6584 1003092.8663 1010324.7547 1133377.5288 946812.4197 940069.4764 1186475.3729 818346.1631 999426.7290 1002375.8179 998173.4915 1000990.3939 990389.5954 1001930.7290 1009336.0778 1002452.9568 993060.7601 1020348.7698 1056090.6878 1049413.5187 1066488.8537 1053144.0596 1052232.2128 1051400.3584 1048476.8817 988123.3608 991882.6444 1018799.6845 997798.0529 854672.1396 853393.6887 861291.3635 851341.7109 868864.2891 847120.2975 906839.4363 883165.5344 845538.3495 849650.6235 872731.7903 872389.4570 1095072.8257 852589.7595 1088686.9404 996605.6264 1079021.6808 891627.1056 842922.3062 932607.9685 901510.8805 804512.6019 984018.1211 965831.0394 989270.0424 1017749.7420 1003896.8376 1025944.8143 964723.0537 929670.5719 749169.8054 807747.9077 917296.2086 1008673.5675 1107147.1224 956787.3015 1063954.7294 931953.2410 994845.2416 942084.8568 845771.4428 847428.5756 1152955.5446 970346.8262 1104139.8004 964142.1702 1048613.6566 826719.7559 996539.5692 820953.3702 1037359.9652 1132091.5096 phenyllactate 3331.2077 2260.5195 15207.5833 5516.5337 2691.5538 30596.9178 5653.8701 1693.7504 4040.0613 79727.1522 30849.9788 30559.8718 31963.2240 31497.0847 29733.7614 30835.3442 29783.9880 28931.3310 29363.5270 30568.6181 27925.0931 26063.1868 26326.6428 29356.9599 27747.5252 27436.8235 26322.4898 29834.6208 30496.3898 29925.6417 27100.4682 13100.9431 10202.6619 11608.7605 13176.0283 4682.8487 4727.0471 3917.3208 4369.5346 3589.6129 3185.3132 2701.3395 4166.5294 13293.3838 3505.1551 4491.7940 3351.4827 3765.3573 83122.8129 88231.9146 144824.9627 116064.1729 51441.3819 2278.1373 28870.9558 2370.3159 7682.3639 4371.3926 63944.2982 23519.5280 1660.5695 9115.0757 56441.5994 8308.5696 1830.4366 3097.9554 1504.8356 2234.6627 2186.4597 6774.7857 2905.1419 2730.4330 47189.9985 2798.9188 14118.6129 6541.6685 3794.6397 7657.1210 2796.6262 6792.0651 56923.7253 4883.2871 122420.3939 retinoate 26727.3735 24941.0550 28952.1559 31659.7202 26842.0232 25810.4358 25076.1087 29077.1849 25072.2613 28858.6358 9579.0000 9316.0000 10875.0000 11621.0000 8403.0000 9294.0000 8138.0000 10877.0000 31081.3996 31284.8385 31543.6807 31424.3321 29166.9782 30856.1101 30439.8845 31844.4292 31759.0350 28190.9382 26410.0644 24653.3360 26215.8624 26720.6556 25538.3588 27699.2442 26550.3148 29703.5963 31098.9067 30789.2180 32449.7501 22914.9730 21552.5444 24609.5126 25301.8783 12116.2111 14671.0220 16675.0791 15676.0736 11869.2550 11822.0361 15344.1068 14430.5419 28281.9200 28047.5828 26104.1308 30684.3647 29890.2095 25192.6433 26399.8777 27074.9773 30938.2589 30110.7076 29259.4345 31924.0533 30133.5011 28246.2181 33608.0784 26917.8920 30276.7601 32186.3920 30723.6006 25710.3501 27169.8955 25045.5885 26668.8194 24453.7822 27269.7954 35472.8376 28603.0015 26667.4934 30588.9833 28091.3178 61030.4170 68789.7270 61517.7630 143669.3889 43535.6777 26123.7275 24260.0354 23776.2321 27965.7850 35190.5528 S-allylcysteine 251009.2871 256725.2128 296087.2267 216045.1622 285860.2753 221039.2129 302277.0292 395780.1043 417828.5492 208502.4343 217162.7648 251392.2836 245991.5184 245503.3592 226908.2046 233755.9489 231968.6255 232904.0533 220149.0950 226560.2354 217872.6461 242119.2768 12021.2531 12176.6004 8919.0672 7616.4860 166690.8672 174767.6174 166702.2884 161728.4716 111876.3666 125444.1833 118229.8138 121410.9304 184954.8414 79460.7337 88466.0151 42098.5061 68357.0175 58174.3011 92700.4720 164558.5964 38508.0302 38105.4359 20522.3774 38542.8916 12939.9465 66909.2226 26672.5496 54536.4062 33074.9759 68519.8756 9797.8946 29352.5008 104506.2826 201295.2885 33814.4338 61580.3703 33648.0810 99142.6935 222702.9366 144069.7112 152553.1704 485800.3680 428601.3078 205276.9397 322293.3161 237834.2228 139247.5295 291021.5170 244006.5755 291927.3901 259322.4982 serine 20722.8205 20655.6290 28848.7902 23807.0876 18126.1459 21743.5324 22687.0717 18017.7418 28904.4091 15994.0739 1375.0000 1111.0000 688.0000 788.0000 22352.6957 20196.5468 18379.3047 22936.6855 19016.1293 21172.6807 22901.6808 23956.7812 26662.1050 28054.0005 31524.8669 27034.9790 27848.5880 25892.2232 26444.4420 26089.2287 31182.0236 18953.4041 21312.9946 20652.2317 18689.3096 28703.5325 31365.8852 28030.9466 30665.8755 23219.6878 21865.3808 21764.8061 21039.7607 17334.6661 14686.3466 16279.3012 18017.7073 22360.2096 18029.1055 17458.0747 20653.5156 26460.1682 18862.9195 20058.0919 22152.3888 18755.6473 23176.8137 14503.6483 16663.4120 24124.5196 20197.0688 24331.7489 23168.7396 20518.4073 26546.0625 11217.5052 19057.0904 18739.1102 16006.8947 27470.8215 19589.8494 22503.6191 19281.1239 22400.2217 24329.4042 18115.7795 18128.1646 25834.7978 27052.0983 21012.4313 29644.5273 25229.0702 14790.5397 16488.3905 17213.2094 21034.5316 20784.3945 sphingosine-1P (C18) 1187465.0836 713375.3024 939060.1961 624403.5282 714003.1883 674691.1466 847505.1720 726106.8886 390651.1961 1208782.7850 8914.0000 9998.0000 55547.0000 25812.0000 36861.0000 20818.0000 25716.0000 19844.0000 980120.5731 1105059.7818 974600.1682 1142809.6223 942109.9890 1014236.9980 927397.7119 902532.0724 1109394.7445 852823.1554 1191949.5897 743604.1566 781334.3160 753171.5273 929433.6663 995302.0412 945116.4281 970673.7558 987470.0918 1030618.6360 967958.4292 639399.1494 619982.1742 594453.9782 531865.4197 924350.5058 895137.6190 845783.8504 779606.1411 902355.2498 1096597.0036 904947.6036 918374.1566 1311440.7762 1196352.5879 1236592.0678 817402.9941 1099714.1858 1118689.7837 1222197.2889 2022378.9599 1247752.9788 1206984.0058 411997.2851 1121610.5283 998358.7614 1501903.5289 881147.2332 1925278.2675 1353405.9447 1915675.5629 1231333.5604 1146759.5423 1084315.4867 1496462.2616 1477581.5306 1024401.3791 1057254.3238 773280.8872 1599320.8530 807595.8599 552345.2814 1144025.2271 1237895.1329 644856.4272 586204.7916 1249130.4515 1164825.7706 675054.3457 624487.0776 1154353.1728 829978.4848 1042098.5154 succinate 251818.2275 209227.0809 316617.8424 276718.5753 253511.8550 350516.0962 176924.3492 277059.8548 292684.3505 153062.9629 201340.9997 191701.1562 231033.9577 198516.0224 225822.5093 208287.4203 235827.8656 270740.8851 216774.7658 228493.5385 228258.0193 245818.9335 242182.0559 208066.2395 234553.4041 248146.7597 210764.3089 184734.8763 211824.6249 232895.0620 248397.2813 660275.3280 772638.9479 609387.6864 817224.2976 290572.6704 257218.7562 281996.3346 272641.4656 218879.1498 232301.5378 230720.3190 219797.8401 366960.6786 232742.2729 239411.3010 239198.8809 273114.9359 215076.2675 113072.0567 126430.1043 192496.5395 190896.2967 250074.8061 208256.4143 187591.7291 200080.3030 219936.8430 302312.9936 222241.8371 192458.2102 99324.2309 171900.4873 173095.8731 189673.0604 234507.7907 173590.6723 326905.1984 246087.9797 233445.5530 186454.5960 189584.5096 111867.1980 319559.1424 224393.4803 248367.4729 222345.5167 216214.6381 180229.5500 206979.7800 194183.8626 155987.6549 179855.6117 taurine 10024557.9361 10538819.2816 9706572.9042 10293461.2535 8266823.9607 11137622.4829 8620428.9733 8095662.0855 8243969.5423 8896215.2127 24812.0000 4704.0000 6561.0000 47274.0000 48141.0000 13667.0000 13258.0000 8556578.2880 8422418.2641 8235792.1158 8026864.2781 8127364.2118 8268761.1867 8120204.9291 8372307.2021 8949890.1419 8649341.1455 8530438.1149 8465625.5265 8026942.9953 8221168.3448 9993354.7051 9719955.1558 8593662.9108 8516977.1192 8332719.5612 8297806.3824 8122594.7892 9193572.6880 9044552.6453 10178028.0936 9524692.1652 12229323.4238 12297398.7685 11046126.4678 11318498.1411 9528816.3362 9228972.9262 10167457.0091 9642013.7040 10465062.5036 10166442.4306 9340082.8331 9840768.0596 11305890.6837 8669408.5161 7556807.0068 9804915.9906 7536034.5112 8686943.3201 8009300.5988 8587721.5222 8798533.6850 11210090.7388 10922805.4521 8260797.0134 9009466.4284 9130559.5025 6236145.7844 6875564.0658 7958380.0405 12029529.0743 9736402.1058 8206322.3882 11223206.5158 7264090.7817 10783005.6572 8343500.8657 8143623.4459 6325743.2100 10244721.3921 8875408.8450 8686806.1825 9101146.2313 10104942.9895 5792447.2526 9044439.7101 8276778.9087 9329936.0819 11024163.0302 tauro-alpha-muricholate 23680.8234 7627.0998 16897.7370 8357.4354 47190.5019 19808.8241 115969.0400 17208.7374 36170.1880 46221.6772 23059.9219 24497.5078 24338.2810 28087.8082 24487.0125 20608.5170 24709.5365 24983.1625 25556.8885 23907.8724 23235.2004 23258.3261 22808.3969 23340.1427 23551.1529 25933.1409 22484.1065 24353.3696 22486.8957 28128.0108 24363.4528 1528.1439 2080.9830 1119.3496 983.9746 8789.1758 8770.7921 6804.7025 6856.5269 5105.6131 5230.9900 6525.9700 6105.2773 22787.7179 18413.0180 56630.9757 21971.2684 46068.4644 13744.6289 33563.9863 44793.9996 24334.2717 9924.2514 5702.2768 37038.0052 14985.8810 8227.5402 34273.8166 17222.6769 26163.3191 71446.2144 46853.2306 11153.7528 21662.2641 31026.5513 42703.2910 5144.3490 13795.2635 8480.4230 15587.4351 9464.6287 9697.4187 22861.0551 12647.2786 4654.2761 8164.4258 10218.5873 5625.3714 8497.1201 14363.5683 15025.1462 57253.7203 17414.5044 tauro-alpha-muricholate + tauro-beta-muricholiate 23910.6446 7809.4281 19648.2510 8649.4099 50540.5635 20093.9647 116954.6973 17427.5056 38996.5840 47229.8113 23355.2109 25050.7872 24519.7595 28276.9131 24545.1163 24217.7143 24970.9569 25034.5182 26251.9841 24378.9915 24165.0717 23766.0288 23091.2901 24444.3836 26052.6325 26435.6576 24060.6176 24687.8268 22719.3087 28287.5177 24725.6046 1839.0128 2171.2074 1168.0803 1112.8284 9717.3535 9400.4714 7353.7819 7478.1638 7893.0130 5777.6920 6999.3773 6463.7428 23134.8672 20432.8653 57433.3942 22288.6848 46185.4893 13984.5003 33721.9493 45123.1773 24719.4557 10423.5056 6114.1023 43654.8955 15291.3501 8422.0093 34595.0007 17335.4687 26606.3934 74357.4639 48562.2782 11597.9461 21987.3959 31054.0688 43045.2133 5371.9396 13915.6054 8664.3820 15934.0327 9623.1921 9799.0246 24099.5707 13008.9880 4777.2611 8410.6400 10353.4188 5905.4202 8659.2184 14783.3543 15291.9103 57512.6304 17748.8745 tauro-beta-muricholate 23852.9006 7809.4281 19648.2510 8649.4099 50540.5635 20093.9647 117011.2952 17427.5056 38996.5840 47229.8113 23355.2109 25293.8518 24535.1227 28087.8082 24709.1190 24358.2831 25140.7355 25080.4679 26499.5109 24378.9915 23862.8346 23766.0288 23091.2901 24444.3836 26455.5700 26828.9316 24060.6176 25033.5579 22683.6971 28420.6032 24871.2218 1708.0088 2335.6487 1168.0803 1153.8273 8979.6646 9072.9415 7680.2615 6856.5269 7893.0130 6028.8522 6999.3773 6463.7428 23134.8672 20575.5387 57354.3153 22139.5103 46185.4893 14169.4011 33679.8259 45123.1773 24719.4557 10801.0928 5854.9536 43654.8955 15291.3501 8422.0093 34460.7077 17472.2809 26606.3934 74516.8695 48562.2782 11329.8647 21987.3959 31382.0776 43045.2133 5371.9396 13851.1366 8744.5916 15934.0327 9623.1921 9799.0246 24099.5707 12938.2436 4777.2611 8410.6400 10413.6843 5804.9149 8548.3580 14783.3543 15291.9103 57512.6304 17807.9345 taurochenodeoxycholate 109948.3371 122139.8940 318271.8838 58139.8137 541765.3255 36857.4036 196276.0809 43844.1519 106496.4754 168627.7098 14091.0000 10396.0000 12789.0000 13482.0000 11057.0000 10310.0000 7974.0000 10394.0000 474289.3772 482449.5008 442300.1322 523995.2833 453492.8136 494953.1095 479630.9529 522847.5932 541455.1776 410350.6167 533686.5416 378933.9338 366650.4624 366052.0883 498710.9762 466712.6931 513618.1553 432331.1706 498635.0881 521685.1219 525699.1596 275330.9422 292943.2410 287839.5296 255977.3816 29710.6995 32769.2062 40561.6682 37377.2375 36040.0786 42592.3136 42473.8126 43921.8501 1849189.2548 963638.0214 643442.9424 1812427.7063 3690597.3977 56635.0493 99142.7804 2588042.8096 108060.6341 655003.8843 706175.8181 2785589.9605 1228772.8691 766791.7844 2338246.8977 971438.0068 85884.4548 214040.4113 165583.8573 350785.4661 242402.3229 215163.0224 245384.7195 46899.0993 113581.4983 107019.9598 82225.9854 47324.6755 652350.1876 1016694.4240 113011.1819 54265.1803 98886.6846 99680.2113 92669.6612 47587.8114 72790.9263 71922.6451 64339.8851 67259.1170 taurocholate 9510710.4719 5436781.4260 13648266.5534 2942674.1616 40246141.2299 1809165.3946 25822035.3152 2944313.2352 9969978.2501 20840017.9140 105197.0000 110110.0000 108899.0000 110958.0000 89694.0000 94206.0000 89448.0000 85561.0000 8275517.1222 8014090.7227 8392033.5750 8362682.0113 8485365.3764 8286028.2739 8593263.6508 8811430.5025 8067107.4984 8262980.6107 7677804.8450 9131710.5718 8463507.0841 8927961.2692 8934067.1997 8999854.5635 9551004.9362 8134780.2799 8393708.6614 8803923.9384 8830554.8090 222012.2957 226781.5504 235040.3063 243988.7711 1008080.8807 973398.3443 1149337.4666 1171600.3553 1041046.3973 1085767.0345 1237109.8231 1251250.3786 14687381.3316 6453474.4389 28575774.7656 12519940.4146 20538143.9135 4068427.7592 5654905.5999 15186721.2893 6917016.3741 2130735.6613 2950405.5395 21130687.1082 8542446.8396 5247676.9339 24629745.3496 4579602.3880 2783598.4560 10786625.2371 12711785.7109 2502533.8432 23768474.3828 23819657.1697 17655367.9166 2145509.8751 7362867.6712 3342968.7170 5407432.0920 2530256.2400 3159992.1074 8421050.5746 5711565.6176 1244904.3884 3044335.3024 4465127.2078 4072868.9403 1615644.6771 1797939.5660 5700701.7989 8904596.0879 3246461.4645 taurodeoxycholate 312894.4801 417330.8121 400354.5400 345397.9144 212741.3131 237506.1338 330608.2487 276843.3964 281185.5262 380583.2125 368832.2745 397377.5350 431903.1045 425204.8295 435653.9623 416625.9515 420118.5776 420384.3215 441274.6153 491306.4144 506018.3054 472457.6048 499454.1621 532576.5669 481971.4998 596758.5191 503748.1803 388055.1121 410590.5558 385327.8514 423834.7703 29596.2876 28331.0335 26879.9828 25041.5766 251971.2210 262085.6438 273491.7072 265429.1199 265366.8340 295724.3303 279185.6252 312855.4325 229260.8436 299087.8240 238009.2573 201817.0349 259438.5350 200448.3289 227772.4271 331629.9351 236509.6045 272135.9871 209429.8166 229918.6841 190454.7439 230688.3477 203307.8228 551389.5911 240322.3807 355241.1088 208502.8431 202898.0910 295022.4076 373529.5717 453335.3676 361437.4904 379997.4298 344459.9815 690501.9548 393487.7045 265782.1067 334766.5064 803443.3910 383100.6876 446575.0242 559189.6974 422792.0895 202538.9442 285169.2761 299470.7265 332521.4727 311425.8251 taurohyocoholate 874126.8973 700631.4964 2087188.5808 390155.8718 5093384.7274 371808.7073 4576418.3394 452493.6842 2194019.3614 4288856.5574 28280.0000 33599.0000 23568.0000 28059.0000 26906.0000 34607.0000 27187.0000 24975.0000 1505071.5466 1445113.1236 1479365.0787 1467767.8180 1484558.1196 1481424.5787 1459574.0812 1523621.6513 577830.5291 1536652.2521 1461744.5437 1501788.5601 1436483.8393 1446763.3017 1807707.5314 1704690.1255 1589638.0680 1454485.0471 1527033.3069 1488852.0449 1490732.2343 119550.2084 109427.1822 95976.7972 101759.9501 215569.4819 232010.5160 107781.4374 109555.6599 140534.2577 143392.7431 161231.4467 166915.4239 1638993.8505 881165.7202 3621954.7614 1070059.2523 2116879.9802 815742.0340 1089166.6302 4219538.8602 1503007.8081 570917.8137 328759.9803 1729810.5369 538164.9805 540017.9632 1933907.6872 1212539.8379 574104.9945 1483322.9126 2406841.4775 461137.4591 2192220.8964 2830493.3806 1525103.2598 152523.5904 543370.6623 727674.9398 1996242.2063 552610.3505 702599.6767 1981976.2972 536459.7990 108299.4981 106207.9469 395313.6403 440722.0624 356813.9238 464131.3902 2025387.3702 3248182.2867 1591842.4095 taurohyodeoxycholate 19298.5123 18750.2721 38507.8885 11292.9546 66359.9845 6293.7475 21040.2191 7678.2363 12627.1897 18648.3995 32532.9001 28778.8868 31430.1319 28558.5761 27022.2911 29032.5587 30541.2088 28881.5218 29342.5536 26418.0102 21732.8640 24217.2731 25863.0730 24012.2912 25295.1590 25533.4738 24812.4203 29969.8051 28111.4257 27689.8923 32653.9218 8798.0088 9168.5834 9396.1828 11798.4843 6489.1110 7308.2902 5025.4927 6154.9499 6367.8229 7162.6854 9463.9876 8817.5730 70606.0039 34175.9730 104588.4953 90047.3055 159878.3730 9689.2439 12488.3074 83848.9952 11884.5900 27190.8035 28474.3980 73542.8654 44947.0415 40125.0988 94335.0559 44883.0440 11078.8312 16884.9091 16270.2117 17567.9624 48910.1072 39446.7242 28765.6661 8881.1020 17364.7584 9901.6925 9341.1926 8542.4469 30363.7471 43810.8068 17732.6902 7132.2413 16071.5181 12072.8134 16503.6808 6612.2338 11208.1285 9553.6626 9149.9786 11869.4547 tauroursodeoxycholate 19259.7459 18648.3267 38825.2974 11356.5190 66542.1351 7089.0667 21383.3709 8037.9879 12972.7221 19167.5807 32154.8349 28652.1118 31227.8432 28751.7839 26744.3826 28642.2018 30480.6036 29204.4570 29404.5929 26607.7424 21816.7017 23965.9231 26221.6840 24314.3915 25877.6523 25652.2713 24818.3115 29969.8051 27884.1071 27568.0352 30728.3216 8976.6580 8860.0697 9138.8729 11509.1188 6499.3365 7120.7689 5025.4927 6088.0366 6462.5376 7345.4847 9662.4952 9189.8406 68839.7701 34123.6022 104520.3170 90100.3528 160375.9533 9467.9263 12433.2972 82213.5076 12403.6140 26908.0088 28474.3980 73632.5850 45132.5618 40402.2016 94118.8822 43434.2887 11448.1903 16948.5245 16425.9121 17485.2068 49140.4929 39248.8950 28675.4585 8695.6454 17355.7017 9846.5218 9714.3977 9425.4123 30687.7038 44348.3053 17526.4114 7119.3295 15979.7788 11767.7310 16653.1929 6913.3162 11311.3250 9975.9758 9971.2028 12358.5750 threonine 17516.6004 8091.6232 9634.1572 8764.1237 8779.0625 11923.8924 10244.9494 7850.6573 14316.3711 9296.4700 32410.0000 32239.0000 32136.0000 14853.6464 9422.2514 13661.8129 12277.5333 10344.9673 10930.8222 17431.0983 11165.8816 12780.6744 16464.1614 32538.4258 46491.3210 29596.8049 39662.2878 66541.3215 39905.1148 38349.3254 12102.2897 14892.9828 9645.6014 13870.6765 6293.1997 7173.5689 6101.0652 5833.0258 15473.8505 9833.6676 10310.7715 15881.8145 11694.3742 12369.0187 9122.1840 12771.1294 11811.2282 11134.0421 13187.3396 13421.2523 16766.4128 18140.7948 36972.8611 25661.9046 10803.0456 17460.2579 14300.7443 7748.8342 10081.7158 16270.6073 9560.5054 10190.1561 12252.2914 30933.2661 6052.1674 17488.7368 11958.8151 12102.4691 18302.6056 11560.7783 11173.9471 12346.4726 14272.4127 13243.8718 13522.7108 23088.4557 16314.8344 9516.4308 26597.6435 11241.6160 13272.5725 13174.7799 13046.0429 16968.0001 10177.5828 15360.4404 tryosine 901162.5294 741026.4196 873924.8109 831921.8540 1085610.3393 818272.0320 924519.4151 813227.0340 862261.4623 933837.0689 807814.5125 694409.2680 768036.9891 748341.0512 731533.8664 795873.2691 785253.4986 793384.1144 807515.1986 842468.6389 827443.1262 904786.7439 859119.3581 854993.8886 884964.8958 910572.6582 909293.0411 704808.9012 749614.1210 751451.8825 802543.1961 659307.8210 629426.4331 623141.0480 613329.9302 780182.7590 753120.9798 857256.9015 834121.9797 573341.4502 583142.5213 606151.8668 625655.3265 998711.3014 800893.2664 1145417.8826 959184.3226 1083807.7401 789041.2582 985104.7593 866448.0986 878182.6148 866785.8603 740302.1037 984414.5260 1024239.9594 1056048.2545 1135997.9357 883684.7104 903201.6018 986469.5871 896660.2678 899471.9014 973583.6371 1017868.1054 1156908.1206 1008656.5524 925577.8300 891388.0194 1222049.9146 860495.2646 747367.0388 924888.0346 986494.2245 849151.5133 1059477.1181 1000967.5168 1168693.5019 877659.2128 992365.2788 882872.3286 1096063.7369 1165744.9153 tryptophan 1971347.3203 1909385.9254 2180947.8151 1762896.5014 2213659.4906 1804587.4704 1814627.9100 1862179.0440 2575401.6523 1514346.3206 1878072.2926 1943917.4762 1910021.3024 1924161.2697 1940960.0013 1938092.0726 1895329.2173 1883546.0079 1934061.3426 1858761.3146 1870508.7391 1868130.2783 1875821.2459 1881853.2559 1894602.3381 1837230.4388 1837130.9019 1919002.6086 1920010.1984 1922822.4758 1891037.1748 1743497.7538 1730063.3705 1726567.0964 1701195.6002 2450305.7542 2422146.9548 2387614.1743 2350051.5211 2009326.0310 2015358.4526 1982685.0648 1983515.0837 2055466.1243 1765595.5959 2529124.7533 2093099.8823 2090519.4818 1768229.6262 1723172.7946 1548919.9532 1641706.7800 1700729.3122 1899942.3760 1980836.7161 2243063.1535 2133228.6279 2482755.5747 1786818.7847 1882864.9882 1811957.7970 1274080.2044 1650592.8489 1993302.4844 1811224.1642 2198037.9487 1984761.8372 1966070.1616 1817752.8331 2039504.1481 1683535.8826 1618579.7333 1628784.8957 2182910.9993 1959076.4488 2017583.8299 2070926.2038 2340685.5825 1548612.6453 1964105.5061 1631074.7374 2099480.7912 2054088.8689 urate 3348144.0698 1982721.7022 3870410.2176 4305616.3738 2897897.6484 2546984.0317 1195487.3100 1204850.7256 702306.9731 829461.5477 2505570.2551 2661106.1657 2395099.3444 2717665.0518 2348066.1584 2601180.0149 2466104.2334 2621737.6460 2855054.6555 2101217.6720 3280708.3901 2057172.2373 2024987.7934 2024964.6137 2623818.4328 2618789.8318 2723583.1677 2391092.2148 2595721.3859 2774653.8111 2575051.7813 1061130.2419 1126449.8173 970233.2672 901629.9629 2865265.3132 2807340.7303 3085562.8031 2901523.7776 648021.4116 811340.3920 758927.8728 729492.3564 8834531.1648 3062208.7451 3697378.7236 3514125.7604 5091065.9644 1213300.4389 1440858.6622 1837216.6878 766886.2345 609710.0910 5442440.6945 4464266.3292 2605052.8372 4198040.9318 1969573.8254 2714669.4435 2552351.0865 1842940.9048 1384735.9101 1205079.5389 2158135.7282 3901908.6899 5400529.9200 2912216.8668 4446607.0086 1192408.2821 1379937.9328 1925641.6233 1006141.2100 658228.3090 4419253.3250 2167633.8486 4703449.8394 2978168.2490 4358084.7480 1662540.6216 2731695.6783 711323.5823 2092399.8851 3281845.9617 uridine 46828.8856 68475.0132 79718.8103 78450.3535 63477.3065 159337.9673 56289.5884 63664.0164 120277.5108 77293.9335 89041.0356 89482.3343 79816.3573 98433.6496 95649.2525 103990.5873 111871.6509 101500.7579 114715.8551 148725.5191 161863.1485 134207.7574 156360.7265 133022.8882 133180.0610 135967.1485 154375.9274 86560.2092 97290.2200 92902.4714 87788.3747 109305.9789 108643.2522 90179.4898 100722.7520 135903.9981 110515.8916 114938.5832 111968.6104 93059.2237 101164.3891 92664.2548 83819.0261 84389.9926 54679.1309 69947.6376 62272.8113 87978.3627 54151.3769 48996.6074 44170.5336 66108.3167 50169.1563 64291.7856 72033.3175 52553.9898 80097.7157 53293.0191 87359.5184 48925.9614 91288.2407 33481.4967 52727.6304 42644.8110 54852.6734 67608.3479 73344.8634 58982.9046 53465.3887 67338.5581 63956.5400 54481.6899 51557.9951 129977.1846 78361.8244 75977.5288 84091.4630 83905.6336 35395.6881 46088.6051 59520.6660 53511.7391 73251.4365 ursodeoxycholate 135211.6574 29884.4053 70741.0315 22168.0774 65717.6828 15488.4069 47139.4042 11516.6332 15883.6748 27060.5334 96734.1689 101518.5621 90579.6284 102168.0513 84609.0018 90064.7349 92943.7505 101342.0269 118901.4244 112076.5704 169963.6645 93322.5730 87150.5110 89889.5876 113566.5229 117838.5185 119726.7039 95009.7433 98268.0940 99752.2640 100540.4647 221014.0372 223433.8851 225779.1267 214871.6646 19125.9419 20049.4255 24808.3370 24448.2880 28420.5997 34269.3365 35989.1533 33302.2064 184228.7997 89150.6631 228657.5604 462114.7732 876871.9329 15586.0705 27269.1553 196486.4341 22065.1321 113111.6206 115400.3363 408632.5306 627744.0686 194790.2892 398043.9855 121643.7109 33956.6495 92345.4741 19694.0063 52549.5953 53522.8529 27281.6930 61064.1663 26285.8824 27653.1348 27146.0708 24043.7522 27375.1082 97127.1838 88221.4373 55849.2440 43645.7289 24039.9777 21278.0849 54357.4583 12521.8230 26917.7371 13661.1568 13439.6809 40771.9993 xanthosine 34712.9550 21862.3629 25971.2194 88336.3663 31631.5041 58380.7297 26995.5975 17040.1158 20849.8395 21592.0387 72075.8685 71164.1912 81127.0037 62585.2881 54711.9821 56700.6134 100882.4165 73008.7767 66291.6913 45359.9307 91793.6826 122501.3558 84140.4121 116613.4244 166905.2459 111448.4786 107778.3250 75279.3675 100596.3601 55268.9267 64216.3406 13001.9496 15313.9036 12240.4481 11800.6599 89143.3565 62500.1886 71350.0618 103231.0898 24386.1550 24100.8726 18939.5562 26372.8913 342984.0525 121049.8364 52588.1044 70346.9133 113104.6830 33099.5430 83632.9346 45708.2152 12824.8901 18758.1452 200648.5760 92564.1730 34698.5858 119509.2570 21166.9190 84574.8021 85553.0656 76159.4447 26303.9617 35193.3451 26671.0951 123398.5863 214813.9552 70637.9747 127385.4526 23147.6384 38466.3583 70503.8670 11074.7907 19493.8458 186905.8591 26424.9483 246545.7083 76937.6199 101966.1081 39198.3118 94022.8270 21586.3630 31384.2887 239134.8912 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 2-hydroxybutyrate 1.91 103.040224 3,4-dihydroxybenzoate 4.31 153.017624 3-hydroxybutyrate 2.19 103.040324 3-methyl-2-oxovalerate 4.27 129.055324 alpha-muricholate 9.37 407.279524 AMP 1.18 346.056624 aspartate 0.61 132.030524 beta-muricholate 10.1 407.279924 chenodeoxycholate 10.68 391.276124 cholate 10.1 407.279924 cis-aconitate 1.12 173.009024 citrate 1.11 191.020024 deoxycholate 10.68 391.279024 deoxycytidine 1.22 226.083024 FA(10:0-COOH) 7.5 201.112924 FA(10:0-OH) 9.12 187.133724 FA(11:0-COOH) 8.17 215.128924 FA(12:0) 10.75 199.170124 FA(12:0-OH) 9.82 215.165124 FA(12:1) 10.39 197.154524 FA(14:0) 11.26 227.201524 FA(14:0-OH) 10.56 243.196224 FA(14:1) 10.99 225.185824 FA(14:2) 10.68 223.170024 FA(15:0) 11.45 241.216924 FA(16:0) 11.64 255.233524 FA(16:0-COOH) 10.35 285.206724 FA(16:0-OH) 11.24 271.227624 FA(16:1) 11.37 253.217624 FA(17:0) 11.83 269.248324 FA(18:0) 12.02 283.264724 FA(18:1) 11.73 281.249124 FA(18:2) 11.51 279.233524 FA(18:3) 11.3 277.217324 FA(18:4) 11.1 275.201124 FA(19:1) 11.91 295.263824 FA(20:0) 12.45 311.295024 FA(20:1) 12.09 309.280024 FA(20:2) 11.84 307.264124 FA(20:3) 11.64 305.248624 FA(20:4) 11.48 303.233424 FA(20:5(5Z,8Z,11Z,14Z,17Z))) 11.29 301.217424 FA(22:0) 12.99 339.326324 FA(22:3) 11.98 333.279424 FA(22:4) 11.77 331.264824 FA(22:5) 11.64 329.248824 FA(22:6(4Z,7Z,10Z,16Z,19Z)) 11.46 327.233524 FA(24:0) 13.71 367.357524 FA(24:1) 13.07 365.341924 FA(8:0-COOH) 6.3 173.081624 FA(8:0-OH) 7.21 159.102524 FA(9:0-COOH) 6.71 187.097424 gamma-glutamylisoleucine 4.03 259.129224 gamma-glutamylleucine 4.18 259.129424 glutamate 0.64 146.046324 glutamine 0.62 145.062124 glutarate 2.7 131.037224 glycochenodeoxycholate 10.06 448.306324 glycocholate 9.57 464.301524 glycodeoxycholate 10.2 448.306324 glycohyocholate 9.57 464.301524 glycohyodeoxycholate 9.27 448.306124 glycoursodeoxycholate 9.27 448.306124 hippurate 4.36 178.050624 histidine 0.6 154.062324 hydroxyindole acetate 4.99 190.050624 hydroxyphenyllactic acid 3.79 181.050224 hyodeoxycholate 10.12 391.284424 indoleacrylate 3.63 186.056024 indole lactate 5.5 204.065724 ketoleucine 4.51 129.055824 kynurenate 4.36 188.035424 lactate 1.07 89.024824 lithocholate glycine conjugate 10.79 432.317624 malate 0.86 133.015424 maleate 0.92 115.004524 m-hydroxybenzoate 6.12 137.023624 N-acetylleucine 5.43 172.097524 N-acetylphenylalanine 5.63 206.081824 N-methylaspartate 1.05 146.045624 omega-muricholate 9.37 407.279524 phenylacetate 4.04 135.045524 phenylalanine 2.95 164.069024 phenyllactate 5.38 165.054924 retinoate 11.12 299.201424 S-allylcysteine 2.43 160.043624 serine 0.59 104.035524 sphingosine-1P (C18) 10.67 378.241524 succinate 1.62 117.015624 taurine 0.62 124.008024 tauro-alpha-muricholate 8.43 514.283724 tauro-alpha-muricholate + tauro-beta-muricholiate 8.43 514.283724 tauro-beta-muricholate 8.43 514.283724 taurochenodeoxycholate 9.8 498.288724 taurocholate 10.41 514.284924 taurodeoxycholate 10.58 498.262624 taurohyocoholate 8.83 514.283524 taurohyodeoxycholate 8.95 498.288124 tauroursodeoxycholate 8.95 498.288124 threonine 0.63 118.051724 tryosine 1.69 180.061324 tryptophan 3.63 203.082924 urate 1.28 167.021224 uridine 1.88 243.061924 ursodeoxycholate 9.98 391.284724 xanthosine 2.82 283.068124 METABOLITES_END #END