#METABOLOMICS WORKBENCH dezhen_20220729_162616 DATATRACK_ID:3371 STUDY_ID:ST002244 ANALYSIS_ID:AN003663 PROJECT_ID:PR001432 VERSION 1 CREATED_ON August 8, 2022, 7:10 am #PROJECT PR:PROJECT_TITLE Multi-omics study of Friedreich's ataxia (FRDA) PR:PROJECT_TYPE Untargeted and targeted (PRM) analysis PR:PROJECT_SUMMARY Multi-omics study of plasma samples from FRDA patients and healthy controls PR:INSTITUTE University of Pennsylvania PR:LAST_NAME Wang PR:FIRST_NAME Dezhen PR:ADDRESS 421 Curie Blvd, Philadelphia, PA, 19104, USA PR:EMAIL dezhen.wang@pennmedicine.upenn.edu PR:PHONE 5312185610 #STUDY ST:STUDY_TITLE Metabolomics analysis of Friedreich's ataxia (FRDA) (part I) ST:STUDY_TYPE Untargeted and targeted (PRM) analysis ST:STUDY_SUMMARY Friedreich’s Ataxia (FRDA) is an autosomal neurodegenerative disease caused by ST:STUDY_SUMMARY the deficiency of protein frataxin. Frataxin functions in the assembly of ST:STUDY_SUMMARY iron-sulfur clusters that are important for iron homeostasis and metabolic ST:STUDY_SUMMARY functions. To identify metabolic features that can be used for potential ST:STUDY_SUMMARY biomarkers in FRDA plasma, we performed a targeted multi-omics (metabolomics, ST:STUDY_SUMMARY lipidomics, and proteomics) analysis using discovery-validation cohort design. ST:STUDY_SUMMARY Muti-omics analysis revealed that FRDA patients had dysregulated sphingolipid ST:STUDY_SUMMARY metabolism, phospholipid metabolism, citric acid cycle, amino acid metabolism, ST:STUDY_SUMMARY and apolipoprotein metabolism. Sphingolipid dysfunctions were revealed by ST:STUDY_SUMMARY decreased very long chain ceramides but unchanged long chain ceramides in FRDA ST:STUDY_SUMMARY plasma, which resulted in the increased ratio of long chain ceramides to very ST:STUDY_SUMMARY long chain ceramides. Decreased very long chain ceramides distinguished FRDA ST:STUDY_SUMMARY patients from healthy controls and showed good predictive capacities with AUC ST:STUDY_SUMMARY values from 0.75 to 0.85. Furthermore, by performing lipidomic and stable ST:STUDY_SUMMARY isotope tracing experiment in induced pluripotent stem cell differentiated ST:STUDY_SUMMARY cardiomyocytes (iPSC-CMs, we demonstrated that frataxin deficiency affected ST:STUDY_SUMMARY ceramide synthase (CerS2), and preferentially enriched long chain ceramides and ST:STUDY_SUMMARY depleted very long chain ceramides. Moreover, ceramide metabolism was ST:STUDY_SUMMARY differentially regulated in a tissue-specific manner. Finally, machine learning ST:STUDY_SUMMARY model increased the prediction of FRDA using the combination of three ST:STUDY_SUMMARY metabolites (AUC > 0.9). In conclusion, decreased very long chain ceramides are ST:STUDY_SUMMARY potential biomarkers and therapeutic target in FRDA patients. ST:INSTITUTE University of Pennsylvania ST:LAST_NAME Wang ST:FIRST_NAME Dezhen ST:ADDRESS 421 Curie Blvd, Philadelphia, PA, 19104, USA ST:EMAIL dezhen.wang@pennmedicine.upenn.edu ST:PHONE 5312185610 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - Carrier_Negative_P-16 Group:Carrier RAW_FILE_NAME=Carrier_Negative_P-16.raw SUBJECT_SAMPLE_FACTORS - Carrier_Negative_P-17 Group:Carrier RAW_FILE_NAME=Carrier_Negative_P-17.raw SUBJECT_SAMPLE_FACTORS - Carrier_Negative_P-18 Group:Carrier RAW_FILE_NAME=Carrier_Negative_P-18.raw SUBJECT_SAMPLE_FACTORS - Carrier_Negative_P-19 Group:Carrier RAW_FILE_NAME=Carrier_Negative_P-19.raw SUBJECT_SAMPLE_FACTORS - Carrier_Negative_P-20 Group:Carrier RAW_FILE_NAME=Carrier_Negative_P-20.raw SUBJECT_SAMPLE_FACTORS - Carrier_Negative_P-21 Group:Carrier RAW_FILE_NAME=Carrier_Negative_P-21.raw SUBJECT_SAMPLE_FACTORS - 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Patient_Positive_P-32 Group:Patient RAW_FILE_NAME=Patient_Positive_P-32.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-33 Group:Patient RAW_FILE_NAME=Patient_Positive_P-33.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-34 Group:Patient RAW_FILE_NAME=Patient_Positive_P-34.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-35 Group:Patient RAW_FILE_NAME=Patient_Positive_P-35.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-36 Group:Patient RAW_FILE_NAME=Patient_Positive_P-36.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-37 Group:Patient RAW_FILE_NAME=Patient_Positive_P-37.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-38 Group:Patient RAW_FILE_NAME=Patient_Positive_P-38.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-39 Group:Patient RAW_FILE_NAME=Patient_Positive_P-39.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-40 Group:Patient RAW_FILE_NAME=Patient_Positive_P-40.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-41 Group:Patient RAW_FILE_NAME=Patient_Positive_P-41.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-42 Group:Patient RAW_FILE_NAME=Patient_Positive_P-42.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-43 Group:Patient RAW_FILE_NAME=Patient_Positive_P-43.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-44 Group:Patient RAW_FILE_NAME=Patient_Positive_P-44.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-45 Group:Patient RAW_FILE_NAME=Patient_Positive_P-45.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-46 Group:Patient RAW_FILE_NAME=Patient_Positive_P-46.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-47 Group:Patient RAW_FILE_NAME=Patient_Positive_P-47.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-48 Group:Patient RAW_FILE_NAME=Patient_Positive_P-48.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-49 Group:Patient RAW_FILE_NAME=Patient_Positive_P-49.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-50 Group:Patient RAW_FILE_NAME=Patient_Positive_P-50.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-51 Group:Patient RAW_FILE_NAME=Patient_Positive_P-51.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-52 Group:Patient RAW_FILE_NAME=Patient_Positive_P-52.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-53 Group:Patient RAW_FILE_NAME=Patient_Positive_P-53.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-54 Group:Patient RAW_FILE_NAME=Patient_Positive_P-54.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-55 Group:Patient RAW_FILE_NAME=Patient_Positive_P-55.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-56 Group:Patient RAW_FILE_NAME=Patient_Positive_P-56.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-57 Group:Patient RAW_FILE_NAME=Patient_Positive_P-57.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-58 Group:Patient RAW_FILE_NAME=Patient_Positive_P-58.raw SUBJECT_SAMPLE_FACTORS - Patient_Positive_P-59 Group:Patient RAW_FILE_NAME=Patient_Positive_P-59.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_1 Group:- RAW_FILE_NAME=Positive_QC_1.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_10 Group:- RAW_FILE_NAME=Positive_QC_10.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_11 Group:- RAW_FILE_NAME=Positive_QC_11.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_12 Group:- RAW_FILE_NAME=Positive_QC_12.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_13 Group:- RAW_FILE_NAME=Positive_QC_13.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_14 Group:- RAW_FILE_NAME=Positive_QC_14.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_15 Group:- RAW_FILE_NAME=Positive_QC_15.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_16 Group:- RAW_FILE_NAME=Positive_QC_16.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_2 Group:- RAW_FILE_NAME=Positive_QC_2.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_3 Group:- RAW_FILE_NAME=Positive_QC_3.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_4 Group:- RAW_FILE_NAME=Positive_QC_4.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_5 Group:- RAW_FILE_NAME=Positive_QC_5.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_6 Group:- RAW_FILE_NAME=Positive_QC_6.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_7 Group:- RAW_FILE_NAME=Positive_QC_7.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_8 Group:- RAW_FILE_NAME=Positive_QC_8.raw SUBJECT_SAMPLE_FACTORS - Positive_QC_9 Group:- RAW_FILE_NAME=Positive_QC_9.raw #COLLECTION CO:COLLECTION_SUMMARY Venous blood was drawn in 8.5 mL purple cap Vacutainer EDTA tubes and gently CO:COLLECTION_SUMMARY invert to mix. Plasma was collected after centrifugation at 1000 g for 15 min. CO:COLLECTION_SUMMARY All samples were immediately aliquoted to Eppendorf tubes and frozen at -80 ºC CO:COLLECTION_SUMMARY until analysis. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 20 μL plasma, was mixed with 30 μL internal standard working solution, and SP:SAMPLEPREP_SUMMARY extracted with 200 μL methanol for 10 min, and precipitated protein at -20℃ SP:SAMPLEPREP_SUMMARY for 1h. After centrifugation at 14000xg for 10 min at 4 ℃, the supernatant was SP:SAMPLEPREP_SUMMARY transferred into a new tube, dried under nitrogen, and resuspended in 50 μL SP:SAMPLEPREP_SUMMARY acetonitrile/water (75/25, v/v). 5 μL of each sample was combined to make a SP:SAMPLEPREP_SUMMARY pooled quality control (QC) sample and ran every ten samples in the long SP:SAMPLEPREP_SUMMARY sequence to monitor retention time and signal intensity drift. The remaining SP:SAMPLEPREP_SUMMARY samples (30 μL) were transferred into injection vials for metabolomic analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Ascentis® Express HILIC HPLC column (2.1 mm x 150 mm, 2.7 µm) CH:FLOW_GRADIENT 10% B for 2 min, and ramped to 30% B in 8 min, and ramped to 100 % B in 5 min, CH:FLOW_GRADIENT and maintained at 100 % B for 3 min, and back to initial 10 % B in 1 min, and CH:FLOW_GRADIENT equilibrate at initial condition for 7 min. CH:FLOW_RATE 0.25 ml/min CH:COLUMN_TEMPERATURE 35 CH:SOLVENT_A 95% acetonitrile/5% water with 10 mM ammonium acetate and 0.1% acetic acid CH:SOLVENT_B 95% water/5% acetonitrile with 10 mM ammonium acetate and 0.1% acetic acid CH:INJECTION_TEMPERATURE 4 CH:ANALYTICAL_TIME 26min #ANALYSIS AN:ANALYSIS_TYPE MS AN:OPERATOR_NAME Dezhen Wang AN:DATA_FORMAT raw #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Samples were analyzed using a Q Exactive HF (QE-HF) (Thermo Scientific, Waltham, MS:MS_COMMENTS MA) equipped with a heated electro-spray ionization (HESI) source operated in MS:MS_COMMENTS both positive and negative ion mode. To build up metabolite spectral library for MS:MS_COMMENTS targeted analysis, we ran the pooled QC samples in full scan/ddMS2 mode MS:MS_COMMENTS (untargeted metabolomics). The Full Scan settings were as follows: AGC target, MS:MS_COMMENTS 1e6; Maximum IT, 200 ms; scan range, 60 to 900 m/z. Top 20 MS/MS spectral MS:MS_COMMENTS (dd-MS2) @ 15000 were generated with AGC target = 2e5, Maximum IT=25 ms, and MS:MS_COMMENTS (N)CE/stepped nce = 20, 30, 40v. Metabolites detection and identification were MS:MS_COMMENTS performed using Compound Discovery 2.1 (Thermo Scientific, Waltham, MA) by MS:MS_COMMENTS searching against online database (mzCloud) and in-house database built on Sigma MS:MS_COMMENTS metabolomics library (LSMLS, Sigma-Aldrich) (mzValut). Well annotated MS:MS_COMMENTS metabolites (MS spectral match and retention time match) were used to generate MS:MS_COMMENTS an inclusion list (Supplementary Table 3) for targeted PRM analysis. Final data MS:MS_COMMENTS acquisition was performed in Full scan + PRM modes. The PRM settings were as MS:MS_COMMENTS follows: resolution = 15000, AGC target = 2e5, Maximum IT=25 ms, loop count = MS:MS_COMMENTS 20, isolation window = 2.0, (N)CE was optimized for each metabolite. MS:CAPILLARY_TEMPERATURE 325 MS:SPRAY_VOLTAGE 3500 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS intensity MS_METABOLITE_DATA_START Samples Carrier_Positive_P-16 Carrier_Positive_P-17 Carrier_Positive_P-18 Carrier_Positive_P-19 Carrier_Positive_P-20 Carrier_Positive_P-21 Carrier_Positive_P-22 Carrier_Positive_P-23 Carrier_Positive_P-24 Carrier_Positive_P-25 Carrier_Positive_P-26 Control_Positive_OP_14 Control_Positive_OP_15 Control_Positive_OP_16 Control_Positive_OP_17 Control_Positive_OP_18 Control_Positive_OP_19 Control_Positive_OP_35 Control_Positive_OP_40 Control_Positive_OP_41 Control_Positive_OP_42 Control_Positive_OP_8 Control_Positive_OP_9 Control_Positive_P-01 Control_Positive_P-02 Control_Positive_P-03 Control_Positive_P-04 Control_Positive_P-05 Control_Positive_P-06 Control_Positive_P-07 Control_Positive_P-08 Control_Positive_P-09 Control_Positive_P-10 Control_Positive_P-11 Control_Positive_P-12 Control_Positive_P-13 Control_Positive_P-14 Patient_Positive_OP_1 Patient_Positive_OP_10 Patient_Positive_OP_12 Patient_Positive_OP_13 Patient_Positive_OP_2 Patient_Positive_OP_20 Patient_Positive_OP_22 Patient_Positive_OP_23 Patient_Positive_OP_24 Patient_Positive_OP_25 Patient_Positive_OP_26 Patient_Positive_OP_27 Patient_Positive_OP_28 Patient_Positive_OP_29 Patient_Positive_OP_3 Patient_Positive_OP_30 Patient_Positive_OP_31 Patient_Positive_OP_32 Patient_Positive_OP_33 Patient_Positive_OP_34 Patient_Positive_OP_37 Patient_Positive_OP_39 Patient_Positive_OP_4 Patient_Positive_OP_5 Patient_Positive_OP_6 Patient_Positive_OP_7 Patient_Positive_P-27 Patient_Positive_P-28 Patient_Positive_P-29 Patient_Positive_P-30 Patient_Positive_P-31 Patient_Positive_P-32 Patient_Positive_P-33 Patient_Positive_P-34 Patient_Positive_P-35 Patient_Positive_P-36 Patient_Positive_P-37 Patient_Positive_P-38 Patient_Positive_P-39 Patient_Positive_P-40 Patient_Positive_P-41 Patient_Positive_P-42 Patient_Positive_P-43 Patient_Positive_P-44 Patient_Positive_P-45 Patient_Positive_P-46 Patient_Positive_P-47 Patient_Positive_P-48 Patient_Positive_P-49 Patient_Positive_P-50 Patient_Positive_P-51 Patient_Positive_P-52 Patient_Positive_P-53 Patient_Positive_P-54 Patient_Positive_P-55 Patient_Positive_P-56 Patient_Positive_P-57 Patient_Positive_P-58 Patient_Positive_P-59 Positive_QC_1 Positive_QC_2 Positive_QC_3 Positive_QC_4 Positive_QC_5 Positive_QC_6 Positive_QC_7 Positive_QC_8 Positive_QC_9 Positive_QC_10 Positive_QC_11 Positive_QC_12 Positive_QC_13 Positive_QC_14 Positive_QC_15 Positive_QC_16 Factors Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Carrier Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Control Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:Patient Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- Group:- "1,7-Dimethylxanthine" 6521117.612 8064726.179 9269603.434 9863928.854 9204812.499 4121748.542 3441408.133 10509803.08 4968870.739 9143847.271 10480650.13 150645.8321 281831.7651 6551619.425 12449067.92 13653567.12 2060472.246 17252184.51 7213071.102 4813331.477 11761155.44 28883606.27 19371235.05 10310.68687 6909417.096 0 12157230.33 9416999.382 3594305.056 18758968.12 2135901.067 5040923.308 1128257.852 3553129.537 2670951.42 1197464.43 2722211.565 5688620.978 3774934.51 3798654.097 2834740.611 2751031.592 21982281.93 6108221.528 51183.40675 6158572.226 509677.0339 2850816.807 923827.385 2125845.887 2130137.581 115966.6559 7113042.044 5312567.191 5575696.456 9134768.568 3278550.444 5955395.331 96525.64573 5579069.198 0 1059461.27 23356.57095 4912980.392 3671779.06 1896016.6 1098573.884 773900.8639 1550120.375 152657.5825 1952467.619 1380431.78 4888248.013 300664.9678 3022589.285 497295.7799 86663.86993 759888.6426 7038229.834 5333043.478 409155.2301 0 11383760.77 2977461.831 2129369.076 6277123.881 5566346.633 5618084.568 1172922.997 5530285.759 1004211.596 0 709691.5039 4739378.587 2826037.671 6463343.163 5349368.438 5043366.232 4660714.811 4982818.223 4978729.985 5210380.712 4897657.048 5033263.975 5508452.236 4558289.411 5135596.911 4716414.002 5388582.159 4508368.019 4809306.155 5451949.395 1-Aminocyclopropanecarboxylic acid 52407613.23 75452010.73 82980250.38 74168558.08 57738401.19 114178881.6 69485366.18 57831916.24 85777932.88 54589690.35 52654142.19 55589923.31 51599202.42 77681569.77 60009017.09 50836384.09 50902942.8 85729500.68 55877220.8 58110316.45 50834742.21 77872768.16 68183707.11 88730224.19 68746856.74 61094155.28 66289507.88 54695465.52 56748347.95 59384528.74 32842968.11 32315444.38 62134210.84 85124596.9 90114547.42 66586734.53 56867202.52 68616022.64 74851329.61 66812888.26 49408304.63 52466586.86 117041698.2 59766449.16 71959703.13 56225582.99 45959095.65 56034473.68 48300913.78 85388989.64 58426485.54 71795611.24 84426376.56 68830509.89 62021268.06 47439181.69 57262379.4 51506051.62 62010605.6 53913624.48 71239978.97 76185997.47 87315284.86 61530532.04 68397120.41 52148912.77 66419171.09 87997669.87 73364522.16 52687034.39 59399393.22 89669265.59 83589693.17 62672348 55637539.18 109347342.8 44856770.33 45404935.72 89358960.78 74905871.33 74972192.97 54535829.8 80222153.4 61450187.1 79998013.53 41131416.66 76228065.9 64346648.25 67445644.18 74308197.86 54611642.7 70662176.16 #DIV/0! 94124671.48 44200909.88 37128490.28 65557169.27 68095870.76 65740631.28 65274092.96 68178708.47 64182376.11 65256244.08 66550323.93 67352207.43 64167721.08 67233071.62 63291383.57 67304886.3 67204111.86 65187911.76 65929074.74 1-Methyladenosine 2010916.114 1351067.603 2508192.375 2104443.267 2472830.013 1540170.721 1712418.636 2229427.819 2780240.088 1855861.913 2304939.085 1958011.257 3366273.869 1382987.209 2356517.965 2006977.108 2971009.371 2358256.186 1568766.922 2033819.345 1929908.528 2558758.44 2058859.206 2610150.171 2105898.116 1731238.8 3177971.637 1942939.183 1457834.483 2325797.11 1037927.918 2104430.63 2785462.437 1591495.638 1884595.609 2022300.336 1718271.928 2651522.983 1534452.246 2800559.073 2222123.454 2380710.601 3059927.305 1858253.828 2599177.087 2696156.401 1648476.64 1681657.473 2232842.586 1650433.545 1701460.69 2407109.867 2375059.355 3927188.128 1910136.786 2222334.762 2468775.894 2238869.885 2056457.09 2352118.021 2107773.695 1639885.701 2673212.357 1565083.429 1938648.624 1887062.444 2631940.814 1325435.421 1803902.048 1759018.821 1831186.088 1318706.421 2516598.207 2107965.748 2105837.554 1717597.315 1988261.983 1615854.817 1765773.817 1235413.503 1303551.751 1686999.24 2688388.405 1887704.699 1917694.326 2461636.683 1732428.889 1758196.837 1465571.998 1691012.036 2587977.028 1611928.079 1948001.431 2383771.155 2255840.954 1637226.548 2236538.46 2510371.519 2360015.621 2372341.921 2479543.869 2301301.096 2357510.983 2481391.629 2323062.565 2382130.398 2369687.49 2400177.799 2245053.311 2591263.485 2386769.435 2270041.949 1-Methylhistidine 369763703.3 251922424 340010561.1 510535863.4 476201800.5 265428456 246527316.3 442922170.7 543565742.3 328717638.7 354188266.8 418170838.5 654789782.3 319610114.2 579675801.8 680453819.5 532661694 655212119.1 250407178.8 380429605.2 236450969.1 545823051.3 566106112.6 314256205.8 233840420 233744945.1 478364098.8 409102733.1 187552466.4 427408109 153762534.1 178432532 238677918.9 212620173.7 341342689.2 198509530.5 266336298.7 307856779.6 441700402.5 808137237.9 577798068.6 675909381.4 475678669.2 671577894.6 390455207.9 314674508.4 439149044.2 490579390.7 396456953.6 954304165.1 322653469.9 282907300.5 361645319.6 338786321 738430166.3 470007548 310111418.4 421613782.9 299011401.9 561402912 308462966.9 257910993.6 761114109.2 294970117.2 284429244.4 169764415.9 305928180.9 290428466 251170901.1 274476524.6 373648081.5 312901343.2 300293133.8 276403999.2 204681512 269232695.1 214271081.6 435160565 414332130.9 224220846.7 247469273 263889498.9 396077646.3 290617953.8 446334893.5 255898523.4 394473858.9 376891502.8 233270356.1 361350232.8 167518865.4 424233301.7 252194665.8 342068269.4 243718727.9 316493559.9 424182262.5 353054868.1 329990083.2 370012446.3 368719727.3 362168708.2 380674078.5 361416646.5 378487430.3 361031411.6 361090441.4 373048720.4 385876209.5 349423628.3 368621089 374796648.5 1-Methylnicotinamide 10331618 1543980.963 11090296.51 6326842.322 5279701.462 996046.1847 4108369.305 5081012.35 11516891.67 4245916.465 11413226.12 5011959.035 6432686.562 8286599.884 4906939.685 1383939.717 5430464.945 4214828.19 8395671.654 3186719.965 4423988.995 5501973.308 5841196 5081879.229 3304289.388 6127728.384 9657647.219 7442518.774 7353838.887 5865941.23 3067904.682 6497020.288 2826621.375 6087170.776 5034718.083 6715329.685 4166910.385 3172350.751 5804853.211 7697071.826 19336043.73 10017946.3 11913658.55 6484224.28 12863812.84 4775692.271 10413485.27 10698269.47 6466106.96 2516985.059 2731231.76 4223164.119 8093019.097 12857588.11 8473787.053 3530995.184 8339221.157 4565485.371 10900167.72 5971066.801 7120609.2 2616884.148 10287095.41 9534657.646 7730317.438 3743514.715 8493062.491 3721287.364 1306417.712 8205102.326 13574525.75 6996486.419 9828885.534 18633036.42 6954452.365 1329090.224 4046536.832 5331739.936 8693392.242 3906278.978 9928822.905 4925334.73 9057861.587 635746081.6 13945551.9 6450187.388 6332898.579 12553138.12 2722911.97 11185977.03 5291002.205 1962008.05 117245.906 5661240.484 4407787.009 4105977.339 27634827.66 30168487.56 27642006.97 28415696.79 29275699.48 28651823.3 26862364.27 28977884.66 27188263.37 29513938.78 28570322.3 28675598.09 27079879.33 29177095.74 27515465.94 29059361.68 2-Aminoisobutyric acid 14208539.2 17357719.55 19494704.06 22723191.61 15165802.91 7845586.077 15490400.67 11928416.19 31103986.95 10643781.28 11524501.22 19644154.62 36756906.86 18512721.59 17865107.62 22184125.77 22804842.43 20506579.7 14080973.27 17226482.42 26094722.55 15509232.45 25673127.45 24931737.65 16002960.14 31688337.34 18644655.07 21540837.43 13206336.92 15170012.77 9172587.068 10091070.15 18954364.39 12680047.46 10614929.01 10835750.12 18848140.21 14945085.86 18574509.69 16294564.29 11892034.56 35424022.21 19294186.17 20481863.57 25039003.29 11937795.95 25355370.64 21731406.59 10604651.91 11760281.92 16566194.84 15125636.35 14105400.98 13662072.15 14272283.14 9603886.789 12792361.01 13968484.17 20577806.23 14345649.56 19821019.89 19298243.33 26218657.79 14349250.53 23488014.42 10839811.84 21371355.98 13225047.69 11346834.84 14259100.92 17251642.58 13270932.78 21280436.87 15355020.87 15460098.09 7283409.693 16032315.93 25403774.64 11156807.68 17933192.79 11266728.22 16896172.97 21058900.94 14139774.31 18832761.58 11025369.52 16105777.78 25445388.33 12109245.17 14463565.54 9370476.515 15966031.89 10911470.63 13585286.91 11251597.45 11200592.4 16962405.8 16803874.57 20507548.39 18138642.44 19467462.11 17535485.11 18406847.41 17791732.47 19249277.15 17268399.85 18595676.19 17182706.88 18972443.02 16945990.83 17434102.61 19389240.42 2-Methylbutyryl-L-Carnitine 21280380.99 21269447.4 58802278.36 61428391.21 38625645.81 29608436.52 17920684.1 23253926.32 80020220.82 35963990.03 36154072.97 48285071.2 78726065.13 27040171.58 33081250.18 108307731.1 50310404.58 55660303.65 51560122.78 77961111.46 74438353.32 26112225.68 36247840.31 65350553.31 38770086.68 42713630.91 58215197.29 84375382.71 31319616.51 213469112.6 14912010.55 36052515.98 38887672 30752776.61 35533630.07 14152371.06 30002082.42 29489527.09 34106049.74 73683127.18 58675699.45 46966510.09 58376914.98 55840257.08 49687917.44 39448593.09 43897380.21 45825510.47 29036668.29 35205742.34 29014794.65 49039041.84 139894597.2 67301564.72 49031610.38 20573990.03 60883247.3 57813855.51 31341115.67 42703717.88 32716392.33 46228659.64 138082156.5 66199148.19 34931574.56 37450571.14 60701426.32 18087112.73 17617382.93 38476585.6 26143395.85 38743110.29 48702847.16 25489116.45 58506587.15 17347879.79 35252016.53 40804596.84 30432942.28 18448959.83 19694422.02 24136463.15 48984687.23 43941314.43 37831920.3 23791285.48 37021395.42 40920250.52 24108741.13 18140418.38 22970780.85 62993685.91 14276505.22 32865198.52 24493724.24 37549481.77 42832895.91 38599485.39 41403180.37 41232572.98 41193860.28 39031610.64 42123824.89 51701415.69 42584906.22 37673002.01 41405631.01 40157502.41 42099550.06 37957198.82 40979212.65 42249022.96 2-quinolinecarboxylic acid 2184951.128 1190890.72 2443527.388 1367208.096 974123.7565 546390.7955 1311024.731 1361159.613 3985394.34 1086369.261 533292.4055 2492809.303 1667428.4 1116250.256 2266342.359 2402436.199 1670733.675 1938777.521 1016705.317 2006565.7 1445900.718 1009084.706 903347.9995 1925085.431 814909.1002 581170.9743 2078506.433 1369143.671 731808.795 2269562.01 1105474.135 1498736.109 729137.3938 2324195.05 1539897.461 2151741.175 1534573.465 851219.9934 1077605.661 3259554.707 1481460.767 2746627.596 3193368.587 863355.5297 1576669.31 954120.8315 864404.5434 1966511.594 181284.4222 1780362.485 1149381.324 2243238.332 1547089.435 1796746.566 1586213.103 846504.8212 1924342.214 2055705.214 1750028.639 3343790.995 1242245.617 1359806.579 2044623.273 2512576.955 581429.4561 1485678.988 1948490.138 131078.6616 1632683.331 1397466.502 2561712.954 1196271.958 1166042.807 768188.0435 1607941.298 896424.0795 2738823.966 708663.6159 1006325.813 868303.471 1571556.746 2637627.047 1058166.021 2624336.632 1143734.15 1396270.751 4153693.641 2138428.818 605394.7067 1727351.339 813896.472 3236962.388 583696.1662 1008616.416 1565002.452 1325273.407 1711490.019 1801075.298 1552296.207 1695351.686 1573777.335 1859400.055 1571353.822 1734921.4 1881938.397 1494485.761 1664782.986 1768330.396 1561837.779 1701116.413 1709332.644 1674169.905 5-aminovaleric acid betaine 179891258.6 189703363.5 136587555.4 319122555.3 229104547.2 60102575.78 159832490.4 174338905.8 300133551.3 217597102.9 272537519.6 191488710.2 222328950 165381408.5 305344001.3 252339516.4 278282423.1 110585487.6 27839098.37 69144476.09 43385510.99 265764996.4 20976063.94 216166349.4 50813184.77 20573475.63 262733401.1 54932989.13 33129889.48 224932388.3 232172028.9 219244166 209098976.1 67033889.78 17945650.61 169093770.5 9876495.5 87248942.39 234627278.8 229959737.3 505938447.7 57960969.8 361586491.5 122671812.2 248916139.9 185154412.2 322913792.9 6160494.118 105012424.3 94594248.56 175550615.2 319977233.3 175113150.9 217610535.4 112917759.9 160260363.4 125282586.8 170358174.5 78462948.34 234319918.1 252585260.4 34925402.36 207677472.8 244682794 230110932.8 253862054.7 220628150 71234888.21 235052257.3 152482646.2 199922040.7 119418048.2 219088011.7 215378983.5 239417642.7 33277452.27 235102547.4 135732790.6 158801762.3 85412672.27 291026990.6 105195204.6 348479883.6 194140232.5 251900668.8 166442813.9 315778567.8 199389395.9 254754504.9 213041421 5776004.004 78232661.17 13731539.43 264790223.4 28936646.6 201206861.9 192056223.4 195623678.3 199603011.4 197001354.7 193726096.4 196532971.9 200452951 196636823.4 191378101.2 199212486.2 196952681.9 194023856.7 193875920.1 194377212.2 191393589.6 200041376 Acetoacetate 478229.5859 444948.2322 498086.5322 509770.332 663548.8945 219097.5352 566412.0588 487750.3317 739456.3795 538728.5748 628523.6682 323308.8711 406227.0759 423957.962 456766.1674 534066.0271 348323.8969 511049.2465 591296.6909 447121.2919 545464.0442 564390.6517 405684.2088 1003843.599 630277.0477 760436.1824 748043.0475 547253.2371 532570.812 472039.4001 179782.0119 391813.0056 741182.0593 468692.0237 492992.9264 556871.3088 603616.1951 483295.1015 448266.15 644791.1093 506160.1186 556767.8293 587117.3036 464430.8803 542066.6204 626983.7132 450030.0047 572952.8524 379052.0862 734858.7939 509484.6484 436005.9255 389837.1502 481639.0209 706999.4468 374353.167 436114.9177 373292.4411 411666.3728 489110.0895 452220.6187 424552.8813 664075.9869 648680.242 467153.3363 576804.4721 724575.1978 221816.5477 546588.842 450647.02 371054.3481 413692.9101 392766.8705 575693.2552 387318.4799 96708.92215 555494.8433 570976.3966 430380.9826 472169.9797 438266.7584 523458.7575 560554.3813 737416.2002 637095.4085 431355.2268 480480.4926 555563.3626 428647.9154 341821.1217 408565.3266 657384.8197 103252.9921 414840.0851 484829.008 246428.4504 399877.3665 576022.6034 521573.2466 505313.3469 465623.4663 568165.5958 425184.2357 533942.2592 526924.7752 457941.0587 534751.5184 453497.7899 466133.4126 538864.29 484732.0915 499484.9051 Acetyl-L-Carnitine 763877606.1 963257502.3 785572621.2 2035660834 1876002489 1044679775 1099913364 1471754027 3042772992 1041222932 1007732771 1139932544 2231510458 1286961473 896609713.2 2283328003 1293726685 1602755240 883939640 751628996.2 1158802533 932224635 1995793468 1995724763 746495302 1430580950 1173639791 1173598577 610624616.6 543128034.7 781133547.9 708097880.4 783365838.6 687755310.4 784071973.7 1432240343 754507459.5 1162236663 1662204564 1796705538 1158694125 1846559888 911012986.7 786567821.2 1375941425 1304380249 2665547772 1315267562 810835425.3 1363805137 1205005748 864729996.5 880883155.7 1739549738 840162266.1 819105755.8 1087266003 826637118.8 791078722.9 722603932.3 1026209647 810948450.8 824443432.6 924535137.8 1765767698 858943561.4 982924177.2 1494170589 1070374219 788964159.7 546680412.3 812486541.8 811994663.6 1252518408 643161936.5 765531763.4 804246807.7 1930514248 1032972468 1164868563 843818806.5 1831311059 1743804403 1059452632 895082952.1 1073199285 957303125.1 1301359291 965732852.5 335501394.8 476114363.4 1631140549 804752119.2 794533794.5 1026665066 1174032402 1167446522 1143930453 1114455274 1142526712 1163281390 1101770882 1180007919 1144193419 1161802400 1121657881 1115883780 1178680745 1155072555 1109115396 1143319789 1150542877 Adenine 219030257.9 225085626.1 293303549.9 301500967 340455851.2 609616630.5 352260512.1 358086287.7 318409053.8 323939084.5 223461814.8 311244259.3 167144975.6 345868906.4 333418927 276025454.4 314744591 265488521 148681309.6 252013169.8 146009647.4 252441159.3 208300689.7 177672915.1 170042048.5 155159451.8 204761186.7 165092672.4 179446218.7 229688063.1 310263108.5 165319403.4 217239275.5 215123308.1 288724840.1 303789650 223509419 149449925.7 299827123.8 178805014.6 213163256.4 168817459.4 281100448.7 308969513.5 185620622.2 160555551.8 287248552.8 185321887.8 233724148.8 234953482.4 288409615.8 177427531.1 290763784.2 298463040.8 364673863 296517022.4 367774724.4 300756925.4 204730763.2 178105705.4 257445357.9 144087207.3 189819379.3 275433141.3 219524458.3 227374883.7 225206984.3 407323263.1 244831381.1 342551520.7 236800649.6 347619225.9 344935108 314182137 244283308 532579345.8 279307626.9 168780681.8 327048957.3 296203452.4 372568565.9 224405429 275235714.5 323631297 301495257.1 230312356.2 436066800.8 429420074.9 356249327.5 294174172.9 296695473.1 313965397.5 699147038.8 386467584.5 179137733.3 452218989.9 227882501.8 235246464.6 251532672.5 236215568.8 247457242.2 225634552.8 242416367.4 243830377.1 234401549.6 239447943.2 234624043.8 238890936.9 254410165 213638872.7 244745009.3 242838396.1 Alanine betaine 23064841.74 27267848.95 25838232.36 52491369.7 64344607.58 107544332.4 38797387.49 55197619.45 61137758.58 87061685.94 34966032.35 48835781.7 13887997.7 23814503.39 45603993.75 27782076.12 41013127.04 10314058.85 2724154.92 8583507.833 2495770.896 36351756.27 1262021.528 12747136.05 5072409.705 2208685.399 19203044.44 2728997.733 4162655.478 33985853.46 43352409.75 16106437.92 36717235.25 8359461.395 1127310.475 34214778.06 810280.477 2984573.03 49961652.78 9517256.682 27290018.01 2123059.14 22151674.12 24789955.05 9779982.123 10305127.34 47897571.28 1243129.935 11252704.72 23245064.9 27937911.27 15735495.81 23340830.9 45393308.53 10236218.72 39369427.97 20139024.96 32517880.97 14329388.49 18447254.97 23257079.63 2524956.546 6817325.962 58767237.62 13705661.27 20270217.93 28071345.64 39267776.46 28153171.2 37559573.89 25431257.3 33081472.39 58457420.9 29810755.09 27628566.66 28457451.19 36690894.31 8156344.085 14733751.37 18622118.91 74363995.8 12888167.71 28155185.75 20615712.82 27058282.6 13164151.76 60461007.18 53260486.18 80902025.61 46324986.31 718232.1864 12928502.05 25465415.56 72261980.2 2795415.57 82669968.44 25547344.85 28678267.28 27327947.82 26881752.19 27965905.06 26521623.05 27186017.87 31596721.8 25318787.33 27536240.76 26885066.12 27814871.91 26840162.76 28890362.12 27708293.12 26150121.51 Arginine 520328380.9 365761731.1 480684964.8 712636414.2 506387075.3 382369106 358829482.1 525552772.2 591764638.1 545823426.2 519090239 270136987.6 351109837.2 390553371.8 265642309.5 204206885.9 310243660.7 426809348.3 478266794.9 534770406 359275949 536004206 402154429.2 688341138.8 562818386.8 491179934 440094904.8 386874645.6 521581883.4 499864808 308629277.7 298518171 677140656.3 556215377.5 596698179.4 667183862 625332874.1 468581127.6 459620412.6 349314354.4 538583503.7 466493391.7 543709126.9 537051183.4 460247121.3 496207855.3 321259241.9 448883550.3 309649215.6 492909655.4 388977512.8 393275896.5 507486406.9 440272941.7 502545118.4 389464916.9 392192910.5 580323660.2 471152016.3 586949117.3 397815888.6 529810046.9 612119984.5 444992724.4 482043409.4 504726574.5 498341671 618526197.8 608715693.8 384434042.7 484837100.8 286449270.4 483501064.5 671185266.9 350607224 549912845.3 447068466.9 366111830.7 409237603.4 489227687.1 438306612 525504703.5 729261792.5 743541409.1 640090204 350506107.4 496281096 593568175.5 298431024.5 690278184.6 283867352.8 697915078.3 593605765.6 339793291.8 300851517.3 287201794.4 476143134.4 470643338.4 473764308 470519615.9 481434835.4 486534720.9 456442553.4 474490286.6 475784924.4 471047926 481292404.4 457799071.2 484010279.4 470566273.7 470796150.3 477350631.5 Asparagine butyl ester 32702443.52 20650294.63 51867555.74 115158965.9 89510349.77 51370543.4 39943732.92 91549781.76 84268526.86 92459873.76 44353438.38 36692251.59 14722960.71 62745097.82 41308883.41 22242605.18 56859832.08 18385049.51 5744356.213 19325088.17 1850306.181 59619206.62 3203630.153 24689689.13 9322679.896 3128016.246 41054080.46 7009742.996 5539786.437 37232889.86 68913658.89 16933860.94 49641345.89 9619852.885 5120591.308 80559797.27 2858745.283 5860230.098 68551641.56 10896802.95 63453023.23 6428500.874 68502237.31 34638952.57 31782988.45 21214018.64 41221688.93 1406837.864 18657640.05 29523341.06 49113443.33 21087356.28 58170454.08 69653989.58 21091825.38 49119303.32 40206575 79490329.46 26819811.66 45347244.17 61808143.92 5728511.487 25043709.15 56295449.56 33352545.94 47871208.8 34770215.03 72750245.18 59374783.1 61792208.51 41038844 53172823.71 125255934 146922839.2 39603129.05 66090597.19 58507963.61 15810495.49 54833134.18 43447143.55 164083451.4 23046502.38 95305398.21 97476868.03 84772792.06 19494083.08 91642576.98 105631729.8 70832121.21 77671275.98 1312431.285 42329068.79 25555703.81 59895339.89 3178631.774 71516166.54 45055177.6 49077257.82 47287207.41 47590722.57 45225920.01 48162538.84 45763866.71 45015246.79 48342383.18 46824681.3 47271728.16 45904858.32 50490643.5 45049762.77 46409410.77 48653794.14 Benzoic acid 36379837.57 27555503.19 36586477.54 52189260.44 22673348.04 18131171.95 31670479.1 27690671.36 40130110.34 33693896.62 31396854.82 25228230.3 24486206.41 16554805.52 31102580.04 25467663.39 23757430.14 31343305.01 31843465 35404534.5 25668619.09 29279265.4 25031834.94 33203014.56 27494318.27 28398909.67 36779183.93 32691661.55 36153240.01 26112492.9 14747663.66 19337977.17 38059535.01 26965946.05 31566612.88 24698354.96 33085179.15 24113939.17 25566939.26 25280744.6 28703842.07 22991732.86 43052468.95 27138007.92 28360864.18 25716780.79 20582107.54 28122622.6 19269000.91 25212660.98 27309913.42 26944226.04 25010521.88 22714571.2 31254464.75 21290810.5 27740195.51 34555159.93 25281984.65 20292643.9 26571665.38 28692308.07 39992503.32 31601742.01 22962539.88 22084262.98 30680825.72 26696280.99 27060443.87 18432852.65 24842472.63 23643410.39 26301655.33 25215275.37 32496593.03 22755893.21 24689060.77 21605771.34 15419936.73 25491386.76 22461114.28 30214919.3 26356094.32 27923625.93 28323143.07 29135954.24 30214353.97 31948700.06 21166973.18 26139947.97 18741500.83 21874065.84 20421275.16 23317150.87 19093209.75 18575021.07 30885101.16 26148678.09 27537492.27 28315884.12 27902145.87 27420965.16 28776005.11 28426341.74 27760761.59 28326019.64 28216391.46 28333744.41 26801792.37 28784742.13 30168925.45 25968467.37 Betaine 1502558762 1813582326 997742070.6 1733822611 1658012301 1354324015 1078722148 1315547178 1493213047 1826628750 1594817037 1481743847 1534658237 973192763.4 1608927050 1217841214 1186320645 1324095447 1342071181 1045390808 1208328700 1610056261 1070146671 1620712376 1257842263 1327282732 1604549980 974135599.8 1091765671 1457691061 1476567711 1253856503 1580794088 1058613379 625592918.1 835786458 1091744653 1396394704 1373695945 1748699185 2189239190 1086465850 1487294406 1483041469 1732293970 1569610944 1630301901 1252202541 933978960.1 1092418673 1268233184 1884214312 1171850656 1732462720 1170168933 1455917811 1183602938 1184522059 1269409568 1692055296 1535516897 1346265156 1260036010 1533751553 963272190.7 1149402746 1559020732 831927846.3 1222353175 1208192351 1279982018 845741604.5 1613532688 1172343770 1758453783 660143004.3 1550867296 1332742951 777490809.4 697617620.2 1385251374 1300623126 1329167226 947998755.7 1224234284 1189966901 1616029594 1139724577 1561199102 1769686407 444091517.8 887662449.8 556089113.8 1480325191 920643357.4 1304512048 1287401180 1387838691 1355050108 1339316518 1359709223 1364468837 1323704228 1336682350 1347683352 1339276721 1356407402 1312933060 1367555261 1321626583 1383747076 1312948960 Bilirubin 389506780.5 977515171.2 145861870.1 1079091630 447192179.1 951672742.4 788045998.3 470576400.1 691807633.5 1360682248 690416234.9 550559467.3 690418188.3 430009766.6 125866573.2 430923655.2 671665603.9 553609443.4 566276623.6 286699645.2 89404010.17 435830077.4 375874317.2 636634423.8 327848098.8 253747932.2 521277691 368391588.2 214097496.2 884712780.6 94637200.71 657306418.3 965510127.1 426772299.3 568344650.3 881611228.5 1076676069 48761.27849 239071255.2 217374430.2 159023143.8 54567.49156 388982085.4 132792399.3 265231473.9 309460037.6 807216041.5 273300405.5 635226556.5 606173590.2 481459630.1 79890781.48 218419697.5 346969211.3 362686774.4 493187703 452708762.7 242333734.5 478449088.9 305229669.7 444185901 69941539.46 169647173.1 578822146.3 763127437 448523875.6 509400784.4 1531289714 493680068.3 985709885.5 784926311.4 902239938 645049212 808960809.3 576025385.9 333891212.1 513483072.4 515836510.7 476829532.2 825137381.7 468726136.2 982539462 674102699.7 1037708168 465273553.7 434322711.1 528398318.3 1007037570 699684403.6 980504153.5 728619484.3 490484656.8 1372730615 440563098.5 758871308 960418625.1 299024064.7 396491346.2 437509828.4 384993645.3 348849530.5 386488443.4 369363469.3 444014789.6 368426963.7 406853648.8 348386368.6 456918686 399334705.2 431256105.4 368360198.3 410262420.2 Biliverdin 96086023.22 167196582.1 21300984.29 113539969.7 69283836.15 61155013.28 114155703.2 90656161.09 78910635.92 168290681.6 124011736.4 83890011.38 128039052.5 103219775.5 50540974.45 76131813.95 123837760.3 119121404.1 73094547.79 54766826.1 272106606.4 90711094.04 123922235.7 172706329.5 157981630.8 165722185.8 95911301.94 154636500.3 146253527.9 124768786.2 43589655.13 92830170.14 69548622.24 133335865.9 105562271.7 81726190.68 87226395.75 309640246.7 87472056.08 196391583.5 92623982.14 209673885.1 117342507.9 94989975.44 124326712.8 164951031 112863845 105926194.8 110632349 118020861.2 64220568.84 106255395.1 29340096.15 133959746 96556827.64 87398592.69 113260268.6 73907744.18 151715433.4 98249781.13 71444670.33 274899799.8 85244637 107226044.5 89654714.1 105377838.8 98992148.3 100617344.9 106547250.8 60713869.79 130989595.1 71721082.33 83236550.83 72388130.52 61394433.16 31433023.74 97630950.41 67287144.94 75152563.4 47862167.73 87324090.24 74909579.24 69301822.11 66385887.88 64978750.5 73992516.79 48905134.22 54319695.72 47489682.39 103283889.8 66013659.58 52535957.62 59345862.07 61108045.56 114262224.8 97314644.92 108924399 121851320.9 91491193.26 106137401.5 101157848 97548451.07 106127925.1 117726108.8 101922667.8 105212837.8 99935721.14 110721946.1 114688545.3 104329923 99874954.66 111357201.5 Butyryl-L-Carnitine 38438728.16 57965434.22 35673605.23 84260053.46 103046380.8 70678399.73 56045795.49 123647018.1 374049100.2 64636153.29 99588552.05 60977179.38 51175748.47 65603325.23 59793452.39 105444444 82373722.42 90092716.33 52636375.15 37997389.9 48457233.86 12646189.67 81768779.6 148803777.5 40939264.28 87737448.86 114968786.8 111066549.3 56327259.81 49832502.4 102368459.3 44068785.97 60023975.59 52228585.92 34250174.17 52690602.07 140214879 75926869.16 75457849.45 58871264.77 75541343.41 40229244.94 128272503 62882679.21 63227868.82 99586268.91 71490996.64 72781467.89 65025881.94 49503236.63 50526211.11 150480291.2 33824577.76 92160930.34 44600705.82 173975322 76326024.27 364483459.3 50121158.85 53858221.31 62219417.18 55235204.24 99767748.58 51691056.46 76526628.36 70408538.23 79482045.2 365173537.7 83224708.69 54953332.16 104876744.7 62244208.07 61056416.26 58014393.05 50498487.03 56940429.33 70109527.55 48862889.68 38998651.74 63670909.75 72656441.97 88162920.78 83103045.43 82062037.52 84267150.42 68182040.38 135602248 180474279.9 112715612.6 60911034.6 47761421.24 88501368.69 66493064.81 68512439.35 66336037.93 63951605.53 85506531.83 86842030.32 82791668.54 84485601.74 90391463.8 83057201.61 85908738.37 82300146.26 86148201.94 84786263.25 84057911.09 87983552.68 83499697.21 86959775.85 81332354.07 87627679.19 Carnitine 819977626.2 1187954610 655946431.4 1044007269 1060447343 1066464263 727131078.4 1053021115 1160386119 943123103.9 1150700942 690971882.8 756212832.5 862267743.6 946994918.5 1023095495 839061555 1056392460 799100824.9 706377078.4 845181462.1 890026728.1 871040899.5 1554625224 670589970.3 1194940505 1006393298 946551477.7 797510607.9 820198545.2 550918550.1 515149364.2 882778770.3 697430815.5 821622716.3 593640478.9 617244355.5 824461257.6 829086973.7 1089314551 1198293347 1037690737 1154481112 844265851 1023261294 1044067085 900314283.3 923157384.1 813367813.6 1166280017 883726255.7 756336108.7 525615023.1 1204744731 976154948.4 723011090 894722644.5 811824821.7 810808457.8 891404937.3 1007182061 673282434.4 1136739552 1024173089 549017909.5 906672578.6 1119119022 925634948.2 740341487 669275476.6 576696773 593760900.2 769618894.3 693447249 694319934.7 951347213.2 752163720.3 740202011.2 635336677.9 653640639.8 621172452.2 1039279005 826522657.6 1396269245 1139855329 844468019.9 970660865.5 883291288.8 757267118.4 344540615.8 449491653.7 880904342.1 971362945.7 744828217.2 586133820.7 680702687.2 890016902.5 871637173.5 872084507.2 880676457.3 876116093.9 852834188.3 888520507.1 917338206.3 914332357.8 828652071.7 853919615.3 902050640.6 948802510.7 830087762.9 864688497.1 910784795.2 Choline 1271127021 1105734437 1766677594 1830013352 1648329080 1848132027 1443961911 2052004246 1754691021 1312746414 1179652248 1576614747 1424023736 1944432689 2070388855 1635347909 1559106476 1780547633 1223397286 1140414323 721863352.7 1555386906 1638744227 1415347553 693599250.8 745633542 1514084624 1046346399 621166954.6 1531604614 2117641934 1197618786 924576053.3 546824408.8 709631805.3 1502942419 894639828.9 879220770.7 1749495026 1429490443 1943685163 918038708.6 1519568038 1686833258 1542632786 1555098888 2209259589 1382087585 1404397450 1372937765 1539737407 1330375349 1463587666 1736783119 1772104139 1384171379 1413909345 1253579517 1270960555 1691098799 1932472777 1062656808 1150104583 1269672375 1083906597 1080817262 1440310401 1063983891 785123039.9 1317709074 928397806.2 1666256742 2379174887 1351051070 1642658710 1177721217 1483228499 823443602.1 1166020331 1443295747 2036024583 835808964.5 1190262935 1149227306 1182423416 823965590.9 1332192853 1444493931 2009163741 1045852638 916776273 1118755719 814887093.8 2081356070 683123684.1 1936477590 1470564802 1271184799 1273866326 1340474115 1338938824 1348264356 1357159053 1378067884 1365708274 1288153187 1303930786 1369339205 1384126026 1315787452 1325063137 1352570339 Citrulline 60394470.71 63550373.03 116874484.3 150720132 122287103.9 93947667.84 80521159.08 115432822.4 125666093.8 128893932.4 99314015.4 86654543.64 85671161.4 96540210.13 104869224.4 68967281.59 119239929 91813729.69 75307292.56 57368127.93 87792115.16 133500447 66249347.71 113898247.5 72210086.3 73656621.72 109164411.6 95853880.12 74753934.81 90570572.07 73506064.34 60648779.8 76384486.66 79195211.93 54940857.17 87513529.71 98924523.96 107367597.4 91109293.03 124595714.9 140930255.1 68553669.99 148387913.5 74559249.51 152860228.6 119900161.4 68374362.29 59754177.58 71443239.07 89922186.29 78367277.83 106430470.1 99787531.06 130041203 75468965.23 68692360.02 83850664 114872466.4 67565835.05 124336095.5 146217615.5 69982180.59 88576131.46 80760223.28 64531887.92 83394455.5 89049093.64 96574451 77274651.84 86736367.79 84693886.55 63768704.56 106701736.9 129181524.6 132043051 88096547.19 83787272.79 54948733 87529103.77 53705063.76 65199237.76 62335827.7 87097156.46 84278916.11 107859110.1 70901899.65 102990805.7 109608109.8 60913929.01 91605071.97 43613464.51 84324497.52 41850219.75 78921176.49 59873589.98 52313246.24 92453743.42 85677489.11 88355138.5 88828239.99 90703723.66 89213771.56 86180311.59 93186582.06 87777164.51 88249405.59 90630282.74 85800811.18 90047274.11 86729108.45 93693493.33 85421453.98 Creatine 44635212.76 35227109.21 129970940.4 47210464.86 181118769.7 54549292.63 53513742.93 88171235.76 65562816.55 68536232.98 39548308.95 293575818.7 70785282.42 164595951 115143099.6 38202697.4 186044773.9 53405613.34 157688304.6 188139774.5 90938456.64 78646002.78 240014368.9 117046424.8 62722612.02 128275326.6 105924811 72477503.65 33275277.04 94453769.74 66987802.19 76720305.89 61152817.88 52528312.28 164013907.5 99362348.55 46281673.31 137905724 92326595.71 193693925.4 124542541.7 178216508.9 172531644.9 184762560 414340358.5 295116977.2 85885655.53 453473316.1 256806107.7 112590451.1 94278956.52 202295973.1 149119021.5 273557048.7 177368296.9 106115344.2 234005547.1 158548054.9 490108571 136171190.8 213326821.4 163403339.5 226371310.2 112346535.8 88524733.03 59902830.6 220422469 92409818.88 37659018.72 117917608.1 88961603.75 51139633.02 205123474.5 265231252.6 127989175 183613728 105108511.6 129054335.6 182621427.7 93325684.4 117912980.3 117537230.6 65346308.98 141733328.3 189479605.3 74657123.41 196594737.2 273870384.4 34732254.94 70443140.42 135669950.4 233196061.8 77075949.4 113707594 61154936.29 93450417.88 122793819.6 135367524.9 126193784.1 130746194.6 120692166.1 130452729.8 124379149.2 150801294 140981697 113962009.3 127394173.4 128705074.4 128452357 123813433.7 126805576.5 130589640.8 Creatinine 169314365.1 212990020.8 190067813.2 153656123.6 132566381 126052878.7 156255434.7 182787657.6 262508821.8 178024061 280539858.9 156477015.3 211025519.8 133840742.5 193163799.6 181383323.2 177608385.2 163363607.7 98243885.69 127833309.2 241317323.3 208499086.3 164352379.6 257678602.3 202011400.4 167198238.1 227526664 197411970.4 204681419 175396805.5 117555573 169297859.7 129551791 181890210.4 195402453.8 120613916.5 102774646.7 181469117.3 139208951.5 222901977.2 183263781.2 200698347.1 143379551 190516054.4 127017718.3 127145073 128533147.8 85713532.93 93277893.4 192928482.7 124156340.7 115200331.2 177581033.8 122585307 179087386 128076288.9 124492705.5 165930316 119110131.1 195214730.5 110295229.8 127562353.8 232962792.1 207566459 130488955 214764724.2 228439128.4 173419623.1 189888404.4 118291633.9 174505333.5 77436629.79 140370530.7 149885807.3 149533005.4 106811004 145273218.9 158165438.6 148498977.1 89187854.75 180312777.5 145712995.1 149775593.4 255434854.5 174392599.8 162565987.7 177926506.3 136719744.9 98810152.81 208254724.3 148994335.6 119001721.7 79438119.31 211353256.8 189618868.9 166320013.8 162618747 197387802.9 186894741.8 186395778.6 163204573.8 157556145.2 197096962.4 202145088.2 174159542.9 183800425.9 181990843.8 185245213.7 175431910.1 198414176.3 185507943.5 173952180.1 Cytosine 5094642.178 3736143.309 5653718.897 5406708.025 3462867.579 2723631.275 3508620.027 4024688.626 4933621.12 2911128.292 4110688.347 3615755.946 3849909.687 3956882.05 14481644.44 4630691.221 4481977.084 7475465.248 2773287.077 3364558.204 3234395.837 4190697.787 4358506.591 4779083.467 2433195.176 2021772.663 4525883.91 5524394.476 2954880.682 2740453.498 2568256.86 2545379.708 1120293.084 2592400.728 4852614.178 2503226.942 1740410.063 3627331.371 3161838.719 5257681.513 6439220.415 3426750.536 6681454.521 4193306.44 4340396.45 3946524.474 3411279.998 3955390.05 3325319.791 4428223.825 3367961.672 5152916.555 3692993.536 5360438.479 6016187.363 3232108.706 4483936.269 11063365.05 4153762.995 3873154.126 4963377.171 5032885.027 7036428.568 3015967.205 3081307.846 3053996.505 4620807.429 2682409.796 3042308.997 3694141.099 3043711.998 2681391.555 3253037.416 2385032.415 13163239.89 347422.7322 2913748.138 3439922.506 4037204.55 1392374.297 2184133.23 3052804.68 3051514.2 2270900.037 3896152.187 5555210.801 2926766.681 3629331.501 1580442.583 4510853.762 2198239.373 6132656.959 0 2380423.683 3586061.507 2620574.339 4297242.049 4016211.788 4270895.869 4208784.317 4279070.86 3687412.442 4551203.633 4289156.294 4239205.887 4099941.457 4152576.559 4163204.936 4485757.161 3816715.187 4106127.868 4441519.481 Decanoyl-L-Carnitine 904667810.4 880699546.1 242078354.3 553144745.2 384931814 253066249.1 1161617287 478252138.7 866968040.2 531064270.1 843865308.4 556076443.5 478610813.3 357845664 207381017.5 460717322.9 429755961 924859222.3 290321162.1 304191165 511133125.1 201943273.2 450269888.7 659729305.5 288110474.2 1452144628 227270002.6 487725870.3 699123229.7 200951591.9 555178704.8 840782343.9 193847421.4 326175169.1 378764371.5 713701937.1 240993569.7 480113808.2 1012811240 412424615.6 549704307.2 758818413.7 219870743.8 340064696.4 280962238.4 170658756.3 1009664852 191188769.8 304803876 391022243.7 389541899.7 234076070.7 444229247.6 528521061.7 331781392.1 343600908.6 377981461.6 428580389 236466066.7 272939120.9 307439243.8 381939219.8 296527601 385805487.5 502637131 715506031.3 340060934.8 1706620510 1056192302 248132905.8 336819152.6 293919735.4 326276207.1 494617544.5 282557194.8 142468694.7 1767423071 483944804.1 488669397.9 175134785.5 1350818194 481559453.4 1088863118 498089508 806098137.4 499964330.6 604116994.6 1163083174 186745158.4 1476300219 353028307.9 355478755.9 81194813.19 215286340.2 564752471.6 535768169.9 413134349.7 481903110.4 434184980.8 452824893.2 413079556.1 269789257.6 458242003.1 518224077.8 429029190.5 427408425.2 420899746.6 465624174.5 446558558.6 466002356.4 418156313.1 452397823 Dimethylglycine 17100952.67 11128726.33 8209611.022 19530007.73 12231568.13 10144709.56 10064174.47 10743891.78 24687249.42 10296586.78 14957069.35 12669779.65 18916710.26 10612457.29 16866709.74 13359350.84 9814263.343 19726967.35 15266671.84 8706186.908 13931339.43 16908279.41 13148578.62 35957852.98 15678284.36 14017460.01 14125309.54 13924330.29 13524346.94 13251967.77 9015044.552 10426336.6 15804400.22 11116861.48 23139517.91 13684926.9 10517774.93 13901031 14913594.72 29407890.54 25866191.75 15412795.5 14272462.36 16446317.46 21734084.11 21656644.57 14050843.6 18395417.21 11853768.03 20357469.9 13075437.53 15075717.45 14625809.81 18774105.88 13664308.65 17007947.16 14811521.87 14731792.56 15294960.13 13823509.32 10540920.47 15575841.9 14168232.6 14897259.24 14462642.85 10465737.84 32381973 11082038.23 13412978.5 19099267 13740448.19 6772906.397 11562783.52 12478959.91 14059725.78 7781801.958 8849055.843 14761029.24 9723417.806 11380644.94 23086411.14 19904242.88 13117324.28 7815975.46 13578666.32 10785830.47 16514184.65 14215172.07 10501436.58 12507716.7 9516155.845 10868038.09 9511479.751 12305393.03 14774533.61 10773621.45 14992726.14 15933549.61 16002431.27 15626581.3 16275409.46 14985481.19 15514436.92 17665800.67 15618923.3 14952126.99 15941957.08 15451913.65 14666368.14 17720505.92 15799412.87 14777168.38 Ethanolamine 9936986.247 6054067.57 11231334.89 9932192.477 7627278.663 5982302.523 7806688.402 7655443.892 10641757.61 8481706.575 8972447.924 7107170.377 9958665.882 7130468.118 7139748.734 7976432.248 10010134.01 11703680.37 8475094.98 8126509.55 9848082.251 7994558.487 8655951.788 10713267.26 6457519.651 8510505.42 9143273.162 8634870.758 8211449.087 8374765.343 5883386.662 7370681.532 6849489.531 7662789.401 6578460.907 7444547.346 7013618.217 5575372.236 7051108.109 10513110.61 11873718.1 9820050.248 7648575.865 9124269.149 10679437.07 9043165.95 10534733.4 9500519.582 8270218.645 7046110.648 7500383.795 8783644.688 6368325.706 8739767.726 10770647.8 6479756.868 9720216.65 9560423.975 7678689.194 8635344.25 8018172.009 7897505.562 5990735.364 8726866.26 7647968.773 8075646.768 9076200.288 7226987.823 7873596.344 7064305.805 5312885.748 6607130.048 6041922.847 6911673.376 5745556.304 5089995.8 5429350.45 5926387.9 7160216.63 6618831.141 7459113.212 7226132.448 7677884.415 7043710.88 7365663.1 5763754.855 7388463.528 7755020.935 7179136.151 10192401.45 6878376.042 5245454.51 7251400.074 9007870.514 5916307.649 6660873.254 9428324.016 7781723.106 7675879.541 8315122.012 8547662.693 7924952.942 8524296.299 9280647.824 8701430.622 7540145.319 7907206.201 9131350.461 7815309.54 8980610.546 8264362.077 8114068.373 Glutamic acid 7197168.335 10291364.05 9360440.156 20963694.37 11422348.06 9453426.962 10105097.38 19164975.86 14959266.49 9671284.2 12417734.65 12226444.17 5959255.057 10266842 29296840.02 8095355.987 10985913.6 11753478.38 10122553.83 12166478.05 6156626.123 8964215.378 5803116.834 24818812.49 7781438.201 12403093.01 16323449.63 19427124.67 4950264.577 13871042.88 2935303.037 3067742.157 12805793.11 4696541.999 5267326.179 3265759.929 8648279.692 20219630.09 9437132.566 8017058.252 19559200.13 15431854.47 15820018.33 12149959.95 9116393.332 8034922.576 9397146.968 10030822.74 10285262.72 10968120.69 8306567.285 9286391.709 8081153.048 10357467.07 8872682.596 6952458.039 7180030.885 10567955.84 7114559.196 8708403.036 11214361.02 8586556.74 27060708.43 12966562.63 5388652.269 9874251.713 11437054.22 6675892.506 5222854.363 11940233.23 14830089.85 7291608.805 8313725.771 6628012.205 12357423.47 11385707.38 5858786.823 8202647.284 3243697.011 19196577.02 8444006.866 8790982.968 10597537.53 11548544.91 17674310.76 8973897.486 6446516.654 6341998.354 8445227.974 8491163.155 13835934.14 6397281.353 6247585.612 7155014.693 8411269.704 10219302.54 10332432.95 11439478.39 10438198.51 10823062.68 10424351.73 11426827.95 10148649.58 11049732.39 10733150.48 10610072.65 10900223.44 10455922.47 10804358.65 11286392.38 10984802.24 10299918.7 Glutamic acid gamma methyl ester 91017383.88 85743904.29 75609993.66 266282138.9 162170364.3 29199985.66 101970429.1 156346506.3 142829992.8 111184527.1 162459422.5 129457411.5 80872596.52 138062449.7 381112370.3 113143010.8 177610185.3 52425130.07 31580924.21 52187395.24 27427456.37 110977003.8 9327426.738 172994410.2 39638511.04 27440677.13 162057685.4 71446550.7 25067772.48 104566020.9 94376265.96 81188977.19 111463154.4 26485571.21 8303232.38 44901778.57 4548283.712 96797588.48 119157747.1 92254366.65 361242895.9 58975879.09 281220523.7 85693423.92 184783791 126879212.5 115173961.9 6328484.3 86059317.48 42800174.54 101284554.6 171427265.8 83045360.66 153770046.1 41149951.62 77062490.13 68255942.48 132817471.5 60846896.84 151510889.5 288600084.3 45209170.06 216063990.2 137193763.6 72557685.32 168355421.3 107046286 23899595.85 69332772.24 133452752.7 136349415.3 86315674.45 208622990.3 112546389.8 227894592.6 22544841.43 109688644.9 86536551.73 49701716.05 95929049.44 138276112.8 75285084.94 149655812.2 135923564.2 184574554.6 91844582.17 115558584.5 76746881.02 129186391.5 92428422.51 10897474.81 23949698.56 2950052.628 129572590.7 30578779.08 146550550.3 129392786.2 125205184.4 130395084.4 129625410 128398258.1 126461090.4 130009471.6 132328348.5 133237529.9 121786926.9 129975616 126541866.3 125371293.6 133942962.2 127470505.3 126949591.3 Glutamine 17843757.33 13619760.87 12069994.75 16384560.44 13757709.46 15764523.42 13600229.96 13356586.79 16852931.27 20412570.58 16469970.64 12682860 14609681.73 11378334.42 17576297.42 14328129.18 15355372.79 21205923.83 15598719.63 13883733.35 18500763.97 23157337.09 14627713.58 13739426.04 16502881.97 14393779.9 12902612.65 13307119.87 14776037.23 12220273.27 9854260.359 9076480.838 17768522.83 13821418.83 13476839.16 13465736.13 16079651.23 17318785.84 18132377.29 18148300.35 16024953.83 18063938.97 17949666.55 15246452.71 17478231.13 15537318.63 13549581.47 16004341.89 17154206.55 18820062.26 16025462.19 15874751.26 15360949.71 16179085.83 17189077.18 14508108.84 14936622.21 17418441.4 15407366.57 15508023.81 17185776.25 21035874.44 16681763.35 12756913.94 14937181.97 11688524.8 17168609.59 16887422.65 16019471.67 12252897.69 18448252.63 12077465.73 16073574.12 14090896.42 14372068.1 13487805.32 16099903.86 12922751.76 11760898.03 13836000.11 10988309.82 15035673.6 17824410.84 14933359.01 17232419.53 13717280.94 13951384.96 15068905.76 13852488.71 17653837.95 10819637.51 16038959.81 21514090.39 14704597.57 11757027.62 9617772.523 14323874.26 15472153.52 15033144.81 14876004.99 15539885.43 14823536.27 14994051.74 14970367.22 14828884.87 15053155.97 15040599.43 14883415.64 14593230.94 15140619.32 15538403.19 14323815.9 Glycine 35082858.82 27115050.54 23856294.62 18392592.62 33471588.62 25492506.76 24688701.4 31039853.07 25138445.75 45581553.01 19232377.05 17847988.25 18600404.54 12424745.15 25566041.59 16131054.75 15063173.91 23727427.18 32654597.78 14446866.88 21902210.13 35389197.9 19284734.16 17540148.39 19764436 15952053.54 29144309.95 14384806.44 22939849.77 24844746.97 15335203.81 33781512.01 25088033.09 35762140.75 29610265.96 19020187.47 24188362.75 20826696.1 33230640.76 24158677.21 15937569.23 15038186.21 22016905.76 15639579.75 34435226.97 24356326.89 17402451.79 24619527.28 40682544.61 38721180.87 15672736.55 24341905.88 27430730.03 17714604.78 15473041.63 21194963.2 21993775.89 16038182.26 23966213.6 19432103.33 26777698.25 35436394.17 18998851.1 20278914.84 16157473.49 21735655.25 20272416.9 28363692.37 28293828.97 11037151.13 40018342.8 10281482.47 23614464.44 19557652.96 18418440.13 27132665.07 20794579.4 22546047.46 19825019.05 16184119.48 13090165.19 23360690.58 24252581.3 25410389.81 22061594.84 26178541.02 26800176.59 27969381.89 29102464.28 39795213.92 14455335.38 22153397.91 34967665.01 35983358.43 25623458.62 14073302.85 22756434.25 25625935.02 22199008.44 23221235.66 25512863.53 21888581.83 24087250.2 23485814.18 23090907.03 23820956.77 22806835.3 24534392.48 23359854.5 23343728.09 24410686.63 22601888.59 Guanidineacetic acid 628208.3184 1231334.408 711186.5701 760804.2534 514583.215 0 706820.7049 785566.5121 1362711.041 784741.4702 738105.0574 574613.8873 762656.0834 214536.3855 397474.4878 216735.0304 544298.0371 784697.5259 1044478.796 481784.2514 856794.8645 896734.2146 493166.0375 960493.1245 1174282.42 461260.9558 1101978.539 876652.7137 817999.3131 1026772.552 271380.8099 445104.0536 1004552.432 880280.3797 766364.079 625703.6366 1077497.962 775623.8103 568732.8875 805338.3278 741335.0966 1011943.255 663644.1176 798354.2366 510041.6772 705939.2044 485081.7443 561547.0165 657274.1544 1308494.637 582796.6911 656581.0391 649755.1633 272305.7835 922915.8782 648870.8525 451021.0561 636849.0943 478452.8383 935105.4767 389858.1757 973934.0296 997774.5479 590458.0057 909297.4237 759658.6563 736837.1072 691504.9979 1259082.647 330050.8792 879442.6195 333626.1563 191662.9413 334627.4046 526648.2774 0 742564.3228 587244.8191 318300.7649 727672.372 219929.258 778734.2406 934517.4743 766400.9811 840317.5723 656634.4227 390645.9861 285671.833 719578.3687 1241207.818 609262.2124 456114.8222 727327.3649 465192.6818 887347.588 255398.6316 592965.5276 790591.2865 649977.0745 703735.3923 632348.9706 751796.5756 624536.1072 671459.317 578760.3844 786881.5422 738658.6475 562341.5801 816391.3594 599326.4899 741373.6754 669322.6172 Hexanoyl-L-Carnitine 5613989.411 10961841.17 1790566.405 18032014.46 8666597.5 19658271.42 6858586.637 18124403.45 13349285.86 12799752.42 5202419.334 4947075.217 5833280.901 3044238.662 2480582.179 3935832.971 6079255.273 7163071.467 1920085.304 2804730.621 5559628.078 2243592.528 8183620.602 13336380.23 2622357.774 18919446.31 30143672.59 9368174.976 3059553.718 2860712.583 4902263.375 7809784.687 4503007.737 3557541.549 3733576.769 10761345.85 7158602.719 5224663.903 10904720.7 3734542.952 5305437.577 7776056.422 2754959.376 3290319.265 1995975.258 1110060.085 7956629.309 3602778.121 5399043.453 5202801.519 2966804.733 2285772.722 4527871.648 11156335.3 3152683.761 4139865.998 4002690.232 5105562.455 2227917.396 2274623.582 3268661.874 2975835.315 2858945.555 3163355.819 8487269.919 6935963.386 3447086.556 67372840.22 8153836.421 5775407.034 5159666.563 3551107.788 5189557.124 6232726.919 3121006.098 4352135.382 16016142.62 4891324.786 3421142.706 4781262.335 8037999.757 13496474.84 12587612.44 12117939.76 9451799.602 7176300.645 9650868.93 19859833.96 2832503.419 237335672.5 3687524.971 10401527.37 0 2519361.697 4788398.701 10594325.12 2862918.265 10251270.61 5726952.584 6249757.497 2945532.857 6228568.956 6322447.979 7982330.156 5678927.165 6143803.588 6019031.751 6405807.405 6426116.642 6827038.832 5895628.609 6289608.617 Hippuric acid 1632304.671 2464144.272 3207395.038 963835.3058 756455.8702 744099.7047 1494190.95 1725225.07 1892037.25 1349146.876 1179574.518 4703964.862 1387097.192 1049108.377 606695.7903 1528545.805 1099115.87 6059930.433 1895905.799 1326303.534 2480203.902 8804271.747 4387322.56 246552.8895 3382571.16 907183.6835 1635865.567 2249823.07 916722.9589 5755448.151 428679.4502 1337165.63 1369012.712 1632087.008 5846635.204 3046693.779 1950923.491 1467997.349 462392.0468 239201.8632 211457.0657 965184.5419 4759613.741 1627548.854 725053.1783 25271.80192 653327.3016 843296.2367 85931.76036 360924.3223 756713.1035 940123.9122 1196152.416 1387684.532 949090.5805 1017726.704 3935159.814 625011.5737 237676.3058 2304464.592 374738.6551 1331990.639 1231706.759 3179023.224 859148.1794 62261.19882 1829758.805 182464.1681 783091.3853 1633750.522 1442458.872 789615.1774 105432.8859 63573.3568 444129.1085 0 298325.3657 1466228.252 654636.6824 53052.99581 2974942.531 372350.6983 701833.4976 1235277.216 608515.3267 3419659.738 1636062.213 2852006.757 491156.0606 1085862.94 282960.4365 1901135.919 5474463.974 1554086.504 1442404.25 24402.52543 1081962.835 1720232.112 1633975.672 1491095.291 1524084.37 1459980.819 1504249.875 1526811.567 1437241.288 1539582.632 1483719.146 1477883.18 1622834.054 1294581.734 1436872.808 1639960.937 Histamine 14327137.41 24836304.99 13489801.91 17500608.22 15138951.36 16321457.33 14959051.48 19424946.14 19276939.19 16640388.18 17249377.04 12852582.58 19229477.71 17928433.55 12868885.72 10388661.2 17662802.71 20854057.84 22129144.39 20715840.22 9962413.168 20439766.19 18419051.61 15481298 15298692.96 16294221.72 18490577.26 12077139.39 12975655.77 12105910.81 18539947.86 14333274.29 11285995.58 10955755.09 12762524.6 11579552.65 23695368.02 10252010.65 15404789.17 12924834.07 16558756.08 15946843.27 24608559.04 18152837.42 16997821.27 11359928.68 15626826.44 15337979.99 15035309.02 21576213.07 19059466.79 12532214.24 14997504.65 17530923.69 16648035.01 19572681.61 18975505.5 20917708.96 17397482.8 14646359.52 17789482.9 17419295.1 12956777.36 16969397.56 17335282.89 14686208.49 16962784.37 17658354.71 19441365.57 18064344.77 24255919.82 15947113.75 19233084.66 27273663.05 21326535.41 10705016.69 18626743.68 12582980.7 18359529.26 14101877.59 22822711.81 12679221.42 25852516 15001855.48 22189344.31 15121812.52 15746690.85 17398708.39 20465250.12 22004460.33 11130427.95 18543000.45 8223192.129 16383089.48 11282780.78 16576221.8 12560549.82 17145884.41 18334741.3 16024314.52 16781114.94 16167112.22 15657271.75 16098181.46 13561352.04 18421792.83 15088859.15 17137860.98 16434448.28 16610614.05 16885540.06 15036013.51 Histidine 1492540871 2118327682 1516770108 1875361833 1854231395 1950693196 1845840815 2127936702 2091440589 1846941208 1754537614 1371292795 1859138171 1930415126 1371192995 1149963093 1673837094 1670355934 2026624602 1897735808 854145308.9 2177981232 1756657724 1582303063 1553517734 1686539928 2163833175 1161371750 1180315407 1496626584 1932929252 1671165516 1603309945 1090611226 1447014376 1438872638 1784639341 975848823 1510213770 1311227558 1974936399 1725610496 2478368341 1729812349 1704501529 1310733616 1725022472 1621248190 1369174915 1900056589 1769988675 1227302477 1383602597 1678236355 1551177250 1768652751 1684306649 2215591708 1585879689 1552446245 2154093136 1558255534 1463523936 1716677685 1454509655 1578815088 1989516604 2093151119 2265695933 1886139114 2401127490 1653885399 2215189974 2975440507 2291109481 1607490498 2039965935 1460394940 2078613386 1225633432 2296309431 1345054523 2590025156 1765952582 2011984687 1999753429 1907803671 1709939014 2014517439 2062417416 1221074633 1740544961 1829289788 1922935307 1005922472 1738838288 1766769211 1852397411 1722566850 1777064986 1771289427 1822760748 1729619049 1799165431 1536670405 2013153278 1717285360 1854624663 1833141815 1828862061 1826889177 1720090223 Homoarginine 17965464.07 23235760.68 21462960.1 45974597.7 12565839.15 16643381.78 16042169.11 18785246.13 16850669.76 20684595.65 20583311.71 15259022.6 16117259.18 36601419.29 14225203 12763345.53 27158599.95 17910230.43 27299491.73 31416211.35 11951757.64 12704107.42 35336554.61 31810040.47 24285548.97 37234674.05 20075153.33 26427238.43 11422950.41 18503958.71 15305801.72 6408444.839 33924971.42 23323997.7 35516711.13 34405928.9 28057533.99 18791250.6 18118631.13 15247353.19 24191107.03 34941292.71 25900136.27 28124175.5 14429354.92 15080159.51 8089042.656 17734013.97 9270719.755 16775217.57 34084173.72 13111979.13 13781213.23 11332238.72 30369540.67 22492987.24 11604728.41 18364083.82 14386345.18 23547093.78 13705223.8 14547255.9 22403746.4 15786381.38 29841926.92 20608356.52 24143695.37 31747229.29 21514185.94 55001886.06 22462214.38 18845451.97 19050739.81 29412353.39 15867152.34 30201332.06 14684335.04 13825753.13 16204487.72 26680217.54 34395963 28483011.73 28969535.36 20073091.29 28344371.76 15284948.04 26655809.31 28861377.03 18505662.71 24282073.22 19111628.88 16032558.94 25416378.5 13335658.04 7216265.558 14294054.64 21737680.23 21967931.18 22148299.44 21730556.54 22662921.21 22208314.13 21448034.48 21981428.25 21753512.55 22113119.62 22588352.99 20674179.45 22592618.18 22072756.11 21917785 21906905.21 Hypoxanthine 142706552.9 137972739.9 197795169.8 196807063.8 199645512.2 398004179.9 223728576.1 236226785.7 185466429.9 212316440.4 130834447.6 199181880.7 108478842.5 203704770.9 209493423.2 175824026.6 190986267.1 169461951.2 89404222.06 157625626.6 96979727.43 180301504.7 133935813.7 108709554.6 108305730.6 95754922.23 121019071.7 108770631.4 106228009.9 150599817.3 193460801.4 107177284.1 136887725.9 138667686.5 191696762.3 198484542.2 137295891.3 99290423.18 195078256.4 119342275.8 134258735.4 109604834.1 163200536.1 208405992.7 114470574.7 99294302.3 193801622 119996383.2 154632318.3 138430962.4 183056771.8 113767472.4 192393243.4 189326756 232911617.3 185827996.5 250053221.8 183735426.1 122914774.3 113428474.6 145274478.5 95743715.15 116725305 178025765.6 131684994.6 147924740.1 136953559.5 243956806.8 163916221.9 211952540.5 161441975.7 234316161.1 214688628.5 185709194.3 162847286.5 327682884.8 176918328 110096908.1 216897712.5 182564360.5 234084200.9 137773752.8 183039299.4 211750350.8 178368293.3 152831262.6 290657419.5 276792854.9 215788357.6 178747062.8 197239937.6 222459456.3 428498653 234466914.7 109911471.7 278954732.3 139482599.7 149208350 158541513.4 148267366.7 145645223.9 149440686.5 152316700.6 150075636.2 154848090.8 143497221.7 147917199.6 148634993.5 157375437.1 132831957.9 157699782.3 148185437.6 Indole 2943276.829 3761300.732 3094294.316 3749162.633 1489607.273 2541297.304 2356137.741 2675352.944 2380195.549 2807505.206 2986626.248 2944702.418 2660106.336 2721283.59 2817958.147 2931074.268 3603210.722 3561887.009 3368373.54 3125548.484 3457306.442 3452887.87 2904280.858 2662702.504 3338735.156 3121908.068 3844099.295 2449429.438 2533896.757 3254025.232 2294850.419 2221943.735 3884411.914 2037533.267 2498931.694 2861898.342 3596088.874 2332059.666 2753812.009 2953620.328 3050729.487 3081947.504 3470096.889 3281969.161 4581291.158 3255309.108 2298999.328 3777494.945 3211483.334 3634300.183 3049050.825 2738827.128 1946906.916 2884413.599 4022175.24 2576003.39 2865598.214 3312317.015 3083771.585 3402031.286 2974790.476 2728509.086 5113979.561 3517556.124 2670252.992 2437949.272 3597241.827 3196804.044 2377388.13 2539409.916 2485801.842 3466437.676 1869203.151 2256655.481 2868019.235 1246907.04 2634732.198 2115559.915 3084298.156 2678498.285 2463365.108 2686654.924 3203894.138 3586250.579 3256536.146 3129167.289 3847631.182 2830825.002 2561533.413 3439566.577 1525326.852 2177926.23 1079565.16 2303048.489 2344722.189 2205525.219 2583649.377 2515661.749 3444680.72 2909225.63 2674787.047 2847733.25 2898450.397 2841229.069 3008837.59 2740646.351 2811058.2 2899390.456 3029265.78 2546023.84 2896105.752 2975423.083 Isobutyryl-L-Carnitine 118149740.3 110231599.8 68247001.24 130804034.4 175586216.1 116677417.8 82065570.92 78595323.38 184474398.7 79457352.32 135226055.4 115268659.7 171089518.3 116489283.5 104896354.4 576091853.3 82928270.9 217029238.4 141311833.7 204010366.7 131054211.7 149876354 100084446 113726938.4 58063394.55 82942703.21 89038779.28 87801013.32 76096398.79 186019835.9 44253838.98 92172430.46 84648547.8 140833440.6 151482515.4 95054877.85 103881739.2 38797310.05 107995701.3 172055713.6 72262193.89 184080488.8 158022193.2 166757159.5 32048997.94 72834933.11 133388651 164925504.1 33595496.39 132896041.5 111992593.6 104488923 101184008.8 108968546.4 280089373 87892242.26 116180532 149842887.7 83846731 84790784.95 91930172.42 64513743.21 253866439.7 161534666.4 53271855.75 88375282.94 109968033.5 339671740.3 44730840.08 63975350.6 56614079.27 186336481.3 45488235.1 87066822.86 151706116.1 51211141.88 65589185.2 110252403.7 65824393.96 50918328.72 115759069.5 124349955.4 93984209.49 127881005.8 94758857.26 52483534.34 138292959.1 137321239.8 84901683.67 20979961.92 43139140.7 107414346.8 66429558.48 71971611.52 53318305.22 108461657.2 122127420.3 107738510.3 125897605.7 117818691 118235064.9 118590691.6 119539595.8 133159147.4 113831040.5 118370787.6 113013529.1 132416213.4 117219745.5 105750322.5 129249851 113512360.1 Isoleucine 58120822.15 71184111.84 88307381.56 89544094.22 50536380.24 78222545.63 56550125.7 63941865 74430608.8 63792429.37 81442456.03 51895809.26 89721078.61 71435594.41 86230689.8 59080872.43 70830436.37 92156098.8 61170500.65 91724677.91 86427897.27 77660229.63 76489905.51 64726806.7 73701823.31 70882827.94 60524663.81 84278506.39 61968373.96 71343268.76 47019225.76 41331188.26 86883649.61 66047369.39 58376799.67 47271336.66 79565730.08 57348743 60502834.13 66103481.42 60145382.69 95143378.42 118430390.6 76984778.32 91544978.65 62709486.63 67681111.75 86597675.86 69666520.8 76815474.65 56866298.58 67883182.4 45361034.19 68529944.38 77376302.89 54513404.96 61061142.5 72870114.58 74494915.73 55720060.69 64516805.28 63067204.34 177205983.2 66066716.14 74959289.07 68577972.86 82156634.46 71115214.04 49996808.11 62486393.96 99391771.85 52387874.74 68853727.58 50689515.86 82684889.23 66450509.8 61672676.26 70221810.77 68884692.4 62982004.69 50085517.82 66287885.16 73038322.19 71297913.61 99933664.21 73400053.78 91580062.38 72159242.39 55719079.42 55853543.6 46154439.37 58320020.28 113124153 59135129.51 43715062.54 55578084.19 72841566.38 73128409.59 75007339.06 73319374.19 75432347.15 73945620.82 73111624.18 74948538.63 78031312.91 69085192.37 74178653.53 71296276.3 78913218.68 67225734.32 74079140.02 76173742.97 Isovaleryl-L-Carnitine 40125102.28 56487833.11 44297285.55 82872954.9 50715697.97 51715366.48 38443308.84 62830679.16 86395108.38 31365144.97 59186090.44 111370047 70752083.92 33130395.15 64135372.75 115769677.9 66672653.33 39984085.76 20673067.07 50896955.56 49868771.59 35322957.65 21845813.36 84373784.66 51457126.8 74513624.57 75835987.98 76803106.27 40285147.66 64673523.04 12721082.26 18386039.44 38877182.26 30856973.89 25519061.77 17379889.19 43108368.43 20299607.64 25168004.68 41086737.9 47125468.89 38047862.42 69858227.4 50081690.04 34395850.13 51693968.45 69298493.44 108888715.5 19518663.77 28879683.86 28570142.14 40714339.1 21973208.81 56191581.5 36166515.63 12905286.66 41706510.81 47165470.37 32140824.16 36701617.18 28431155.67 32181549.79 82944252.42 66068013.09 32476795.35 54118268.56 94826068.44 31492474.79 19481887.82 54719036.62 22468992.55 40686101.61 24336135.41 35603393.97 31863148.3 20992749.1 52699722.9 37314407.44 12562638.43 25733231.41 38781196.15 38596571.44 32651489.65 44326246.78 27132511.82 35815319.73 32198898.03 53830084.58 41822750.45 13198402.94 29377414.36 37901685.21 21691409.53 21638143.92 28539134.25 25250472.88 43244062.17 45316941.97 47813141.12 45619492.06 45972881.05 44711764.85 45274143.08 46155072.64 46724457.75 44384379.84 44496939.4 47025015.5 44746547.19 44961458.81 44912084.02 46154099.31 Kynurenic acid 2499646.703 4890063.545 4388585.381 4476263.078 2579953.803 15441431.3 3985583.91 9053255.435 9677451.117 1451504.124 2927835.329 5594764.222 6873190.697 1957543.7 4456018.965 7803329.109 5173205.874 6832080.449 3859622.307 6248093.786 13073444.22 3649898.342 7298559.575 5040224.082 2716188.688 5043174.296 6301580.136 9851033.391 8950399.213 3768918.304 1314228.822 1208802.462 1400689.746 1918481.327 2874256.367 1787226.639 1867362.883 3004270.659 2334603.789 4431489.454 4586120.571 4003457.349 10573306.65 3576520.34 3370307.418 2555733.49 4062801.941 5043294.025 4544807.195 9788443.402 2064215.803 2883872.893 4729354.496 4796680.489 5222737.058 2840693.504 12706976.06 5653910.44 3738546.136 4989781.757 4563655.302 4885240.34 6787394.959 4962373.411 886421.0221 1682713.416 4079130.987 8796045.423 1927565.42 1268868.235 1149262.405 1685877.675 2285436.612 3137953.397 3486490.596 28192564.99 2011129.688 2105255.068 2279493.843 537905.2385 1470922.045 987675.6271 2218364.407 2170545.722 3191520.522 1363785.432 8050546.96 4082255.016 767510.6278 2665870.599 1494799.261 2227226.613 14089955.19 2256029.373 1273489.194 2088313.51 4101645.292 5020575.887 4301365.456 4455930.2 4622484.984 4169474.444 4410449.375 5378370.126 4401072.926 4174968.684 4327264.42 4522595.568 4678026.595 4736036.879 4145567.566 4628668.806 Lauroyl-L-Carnitine 124082854.5 117166584.5 78562457.62 199870027.2 109596550.1 34405912.64 188557671.4 131186830.5 233970194.2 88977918.48 125572265.9 116556908.2 190567209.9 113382933.1 62746246.69 162876721.4 131406441.5 302371224.4 81727239.5 97267114.83 152299985.3 61697727.38 157659762.7 154591839.1 52318137.13 263181477.3 88019970.37 175014466.7 105754397.2 43578976.08 71054986.88 182928808.9 56000988.71 75545347.15 69237011.72 159283332.6 96188963.72 145626234.3 180303139.3 129063920 156689866.7 173077349.6 61435612.41 94541230.51 102447221.1 57303493.69 266154043.9 99914012.07 171019714.5 167101210.6 93705924.52 55750277.06 118646589.3 180813607.6 81581059.12 61920867.26 123266041.6 125450497.5 93423824.68 85443227.55 103270465 122007901.7 110569581.3 63924025.03 178258199.6 95514564.52 80736927.16 210919488.2 160187956.3 63536758.57 52784855.69 81618820.04 77855919.39 124915340.5 61540678.8 16078011.9 205236459.1 124253865.4 117265313.5 92477087.28 144581821.7 139340264.9 255749061.1 69471346.9 86046987.22 89127856.73 92043005.27 215016510 79902063.83 41967708.11 58355369.51 133639225 14152814.86 59375901.9 112003965.9 87154584.65 120957241.4 127226965.2 123170058 125417174.3 126360025 118130536.8 124326095.2 146725095.4 119617759.1 123395596.4 121914322.8 127166175.3 130902260 129125396.3 121215937.4 126992576 L-beta-Homoproline 69886052.08 145937607.4 285852201.8 385964461.2 382385566.6 474006390.7 218289158.2 359885414.8 382258889.5 335452320.5 219463393.3 372871716.5 93137803.47 324621544.7 788342800.1 347795911.9 426135791.6 107231469.2 16471974.11 139900023.7 19079819.5 469843532.1 11435287.85 89564040.14 35816220.19 11506787.59 214214831.1 39812949.08 24468968.7 160269504 251159203.4 77076304.16 232646832.2 57438383.1 13716788.8 213897965.1 9280284.45 38083536.77 402942569.5 73551526.68 273002758 25537967.11 552670343.1 134075104.2 175609268.1 227448433.1 216577160.4 8242436.616 122132196.6 120365844.4 385234439.8 175068953.3 634190762.6 453244988.9 116096921.9 349395941.6 326158661.6 502286302.6 161375427.2 241882399.5 423454099.3 35512967.72 156302918.5 364225548.2 116313697.1 210921638.8 230530700.9 303559370 264522174 294674129.6 233826151.3 374420115.9 679010440.4 389398203.5 539956336.8 508264105.1 431820816.1 77562524.11 255257164.8 154985584 465871736.3 75368406.28 397086875.3 282540610.7 377529965.5 93644892.6 460411962.7 306679210.7 487603110.8 284281873.5 9315558.423 111129433.3 240269392.7 469133949.6 19599316.75 335050606 271076731.3 238411272.3 256274718.5 256182851.7 254790553.1 253250661.4 252467596.1 259269644.4 250461429.6 257198913.3 256204292.6 253317799.2 252180499.6 256016502.1 253913314.8 255261029.7 Leucine 124630263 152874006.6 167639312.2 176635029 126711681.4 158178334.5 127707085.5 135507663.3 167743548.1 145579126 166103718.3 109049717.1 193393830.3 156698713.3 171317990 140662046.2 141275270.2 196432309.8 128271323.5 169351150.5 174675509 167571018.9 155524557.4 150176115.7 166708585.4 162044373.1 146248816.3 172922208.2 131624322 158900189.5 93707135.24 104448221.2 182551425.7 133252828.8 119420266.7 105190542.4 166841681.4 108933364.9 116241459.7 133992838.8 118315996.8 202993336.6 214721307.9 139050376 170283186.6 142694839.6 138004741.3 171250412.9 132683299.8 126282102.2 110346600.6 121404287.9 100394710.3 133232317.8 158969908.8 110190113.1 127390423.3 137624530 136344707.6 116926047.8 126373747.1 133648130.2 277375962.8 146655157.5 150787827.2 145842995.9 170253395.1 128506825.3 97934498.28 125556356 157323759.7 93572647.84 126548504.3 122610399.8 183459374.2 123871554.4 135337923.6 154628667.9 130063947.7 118857740.2 112456952.2 140040851.6 145415010.6 145047640.8 172956630 137929414 158777563.5 136871848.7 112797664 119623700.2 102197771.2 108206198.4 183133383 126267917.1 101543994.8 107380839 145295397 145517807.5 156084731.9 148690476.2 153170144.1 149501067.1 146183974.1 152316478 153567040.8 143460243.6 149163630.1 146561922.5 156507194.9 140469863.1 150558860.9 151451734.6 Methionine 118021265.1 114532092.5 118978502.5 154008928.9 77558313.68 117108350.8 103008978.1 91036220.44 192334582.6 123025351.5 100142806.2 100578969.8 98340045.47 93378931.02 87445305.51 102645972.3 90377361.64 153812065 110391317.2 129250678 101280767.1 116786757.8 93871390.08 133207308.7 106648053.3 115427709.6 122053813.1 99796746.83 92152206.35 111989714.7 66948277.42 72027603.56 127037238.7 112175396.1 110811415.6 100864928 140540612 85541986.69 102895488.4 112203751.3 96420336.71 97560053.43 133729304.7 108115435.6 127700629.8 97556562.62 100557488.2 93985112.8 94170378.21 115805272.8 89218156.53 90735206.95 95604321.08 90755321.93 110039083.1 99821623.3 91826802.11 109067875.2 95002698.28 87675388.67 100358340.3 113532888.7 149833237.8 102800256.2 105759220.2 109086631.1 120812331.7 145138515.5 109796526 86832032.97 135793443.1 115165874.2 86322325.98 97837352.62 112907551.2 83203175.86 108698307.9 84437694.18 90806522.71 95622830.29 106022321.5 116047693.6 111602218.6 143252456.7 114726120 101368831.4 123819759.5 111660637.2 86659990.83 99578736.72 77638201.48 96620104.25 137785859.1 118365766.3 72836775.78 72427361.34 123625842.5 101692099.4 102068801.2 108558439.6 107347514.2 107097323.6 112356612.8 106242376.3 106235833.8 112320854.2 109549163.2 107301526 108688559.6 106954972.2 110257075 107959311.3 Myristoyl-L-Carnitine 33345384.3 27023632.72 22570205.81 77819870.51 43401196.14 16114502.39 42356406.96 38048793.23 78668990.38 27587466.61 31364014.37 24184091.68 47582167.26 21989878.73 20227246.93 37905257.22 37484811.97 48520538.11 24433997.03 32414990.09 53552155.44 16290500.99 37157346.17 52181982.4 17917045.47 57566054.64 24381127.03 32628470.48 37041255.03 14295161.55 22674659.55 47952804.74 22743734.86 31793022.21 18369676.51 37930785.07 30096605.9 41956291.27 30415380.43 34595122.16 32114041.69 50642054.3 19406406.27 20051941.32 26964524 13958981.89 62148399.44 23627944.03 44050177.22 23955397.27 19309524.25 16947833.82 25618049.52 41809575.76 17989191.97 13150976.59 30588673.46 28424030.34 22603432.88 21921719.87 28888406.03 25131207.15 33095816.29 20763328.59 82970917.24 34804034.03 22137168.81 48884972.25 34446715.78 24421464.59 15433445.3 33744478.11 20872243.42 30075633.99 23443720.65 2566199.456 52385836.45 27593179.26 17458225.68 43783962.29 31517127.01 53080222.49 44590491.42 28153083.65 18582571.65 22518275.59 22575754.1 44967994.71 29080060.03 17522687.02 11153089.97 21463130 5592585.081 18338059.4 29499580.62 32158260.41 29575096.38 32242104.73 28796724.62 29205610.78 31772267.74 27296998.56 32335683.57 37781200.41 28568501.54 30048750.52 29740366.01 31254921.53 31670935.02 32749157.01 28352260.72 31907844.88 "N,N,N-Trimethyllysine" 25464903.81 32258354.86 51788235.3 64498201.58 32958258.04 15904460.39 21201998.38 23891342.94 77914599.44 30281745.19 25650271.66 25694830.52 30305242.92 16608625.46 38991256.06 18303502.12 15332116.87 23471156.36 27372866.15 22520010.56 23127982.85 33224152.44 31858346.55 38328478.11 37648302.66 18648413.43 33971790.73 22045113.25 19405474.29 44838422.01 11365677.2 11847266.98 37112304.32 27680423 35898920.78 25233530.96 28223832.5 17986163.92 21573155.29 38146861.62 44297680.17 46007267.6 73472620.89 32972996.85 11510894.61 4686269.706 27156561.31 44263923.75 11109528.8 59389738.48 29485615.14 20329158.81 8907834.516 28613083.06 46822833.51 29425726.04 11829088.34 54847197.66 15418163.17 17598904.7 21520583.51 16371396.99 52082858.77 12133187.87 22860778.52 27178998.07 26236668.32 10661229.89 21979177.2 27638897.06 46507629.32 40797155.99 27641470.55 24313984.9 17914704.63 7448700.925 18002270.4 19196514.45 36595977.28 18882561.6 35655010.18 25255262.92 25423439.89 35112155.99 35626177.14 13918893.91 46860146.46 32882236.47 22499483.45 8555934.783 14700695.1 30964691.51 7555144.488 21430013.15 5688886.12 13740408.21 31401290.89 35499753.78 33782557.51 32585596.62 38648449.7 28407372.17 37558122.98 32793983.39 34164342.44 33207940.46 40125247.77 20859241.7 37352308.62 34691955.76 31288709.94 35147839.54 N-Acetyl-L-lysine 1087990.697 673101.8891 1689001.088 1360487.981 3735041.002 642947.6206 2095488.064 1273668.919 1520962.306 3485914.042 2390380.824 1058255.648 2739698.264 3399881.067 999725.5361 2059071.467 2494104.724 2383560.476 1387603.234 1025410.246 995531.3302 2090492.215 1225808.301 4749234.184 1668385.545 824862.5923 911315.4589 4268084.654 1855217.966 2507307.6 348216.7126 541430.4206 2565293.593 1855210.662 1341438.209 755682.9655 2202972.05 1076770.456 1162731.314 2201516.347 1996745.522 2308538.838 849242.3899 3515074.668 1460899.183 1900564.345 1339425.165 1436492.692 932261.6394 1639054.709 801684.9008 989025.483 1609734.862 986120.0974 3283486.728 1322605.066 1036907.712 2698653.822 1801203.377 4287797.356 1590599.926 1023054.524 4704407.609 3625293.177 860076.7919 500887.0958 1481852.257 1093113.246 988266.1781 615307.897 953554.4021 551088.6525 1337836.73 849133.2144 2669384.496 255235.1178 738767.6326 2763266.108 3144542.617 869974.0259 1917183.545 1316272.501 1550746.471 2119480.643 3381573.824 1228232.056 1437593.46 1577831.967 2359114.721 944362.4833 713883.699 2701186.918 0 1838118.274 1713188.129 868766.5063 1755337.072 1378624.612 1526607.483 1560299.049 1580467.376 1508845.025 1650759.908 1567227.97 1710897.95 1377484.874 1668779.974 1267305.799 1585752.543 1448413.812 1627527.106 1501596.817 N-epsilon-Acetyllysine 1817501.58 1445599.275 2381092.412 2076799.362 2097196.497 436454.4358 1725730.665 2242521.222 2254846.341 1750991.155 2051661.79 1879986.373 1914405.471 1602137.228 1937017.441 2889372.969 1806511.711 1790098.247 1727511.16 1910226.676 1643652.395 1809652.431 1328073.911 2413775.022 1510534.595 1628236.307 1912880.381 2007827.243 1588076.642 1787231.984 1014422.96 1645642.639 1746138.896 1958445.943 2433536.537 1631396.387 1442538.705 1537816.032 1503511.328 2073749.821 1780416.459 1847806.647 1830889.706 1817473.565 2560955.675 1816999.893 1310443.893 1540155.873 1384602.269 1569075.955 1682118.721 2162973.78 2349937.816 2591770.455 1924620.608 1646689.003 1633001.49 1427010.542 1364260.675 1758752.733 1914400.389 1529413.782 3143802.865 2302937.352 1725870.787 1189668.084 2049824.364 880546.5997 1413104.611 1686373.991 1965500.653 1768169.753 1766457.338 2020356.909 1351473.225 501576.0917 1476420.613 1451970.036 1802237.227 1418960.868 1648935.598 1438690.658 1190158.931 2098476.579 1664605.872 1575131.136 1726840.344 1772771.124 1771058.508 1694073.002 1224359.921 1300108.11 237003.9798 1930329.906 1618461.066 1658780.128 1836777.397 1945987.849 1846591.862 1863608.091 1919471.75 1891076.004 1845580.403 1933867.815 1931219.356 1800719.311 1948393.184 1741172.143 1902065.322 1979390.628 1869021.847 1848212.882 Nicotinamide 1470531.214 1379722.028 1106652.463 944442.582 1230594.869 746975.7674 1529907.525 1441469.5 1649506.683 1038345.986 3622231.962 2469248.945 3251545.539 2887702.376 4012294.188 1474871.889 1996889.434 10055684.78 6388830.822 8908743.303 2795776.699 2260198.438 2094219.171 1462691.283 971835.4892 3119869.02 1597461.806 1709045.219 984857.1382 1755068.934 1042779.195 1397926.072 1464055.198 1030231.004 1465074.763 1211876.11 1735691.554 1997551.475 2047397.413 1530474.588 2493221.665 4332847.864 5021870.801 2220843.617 8074926.955 5729342.417 5768300.463 7266015.549 10528146.46 6497601.241 5157242.975 1930831.252 7213401.734 4555598.29 7357348.06 5965199.928 3858931.574 3229023.029 2572510.764 2069685.689 2142242.301 2996134.421 4167303.616 1844207.232 1241557.618 996483.6735 1137307.589 938948.4939 1097152.454 1056455.919 1708745.198 780539.3663 1238830.097 1617079.791 3462563.618 2947628.242 1987960.686 1155599.914 1625716.07 1058421.134 3026379.616 878996.9582 1795931.212 1327667056 14516143.44 2497710.846 1704691.646 1993182.086 631245.5544 1802292.039 1387950.219 1495029.875 736237.6687 593924.3805 1472808.839 1140589.448 31802547.25 35708098.06 39673526.61 35827801.26 33458626.64 35370788.32 36809634.34 36280559.28 36893008.8 34326806.72 35128582.53 36250058.26 36911620.38 32171004.62 36800878.25 36226338.99 Octanoyl-L-Carnitine 23511799.36 50499042.49 5470470.857 24709296.87 12762009.89 57242473.57 32166135.24 32102376.92 28386315.16 20348995.53 24455612.25 16450537.51 11288621.2 9359179.633 3771861.44 8218372.708 7366899.719 18027843.65 4386666.424 6013117.369 10639490.78 3906245.395 8051677.429 31948684.62 11512621.75 59318457.71 10138844.67 31735908.41 22665489.38 5197835.127 30318759.53 20044469.5 10033257.94 21104396.75 7045333.032 19679008.7 7730948.532 5803730.328 30153662.53 5513207.989 10557388.38 14908984.72 4919769.054 6429568.49 4027768.373 2948024.502 22236932.24 4668550.717 5939116.173 18407139.71 8838799.649 2975957.965 8282039.02 9182280.486 5881901.422 9851928.507 5231710.083 6410486.243 2690322.087 5748720.356 5838609.072 7380318.33 6850047.794 11061877.41 27834622.07 24941419.75 27114774.86 534793825.9 34664843.36 14180375.48 13540767.6 8706590.787 14425298.49 18981731.43 10319940.96 35008200.43 100795457.1 25567993.45 17554562.34 9222838.018 41934271.14 25631639.34 54467903.21 16714312.08 33658087.64 18782805.81 19297878.72 49984359.75 8566831.002 1019933809 19188239.98 25771147.26 56829287.29 5102470.727 25411546.05 13945560.19 20883043.11 16648910.57 16498404.09 17657697.73 17876474.69 15278442.5 18291079.13 14265499.14 16568173.85 19325580.69 17904448.81 17406193.53 17662677.33 17121147.66 19308415.78 16248804.79 Ornithine 8393709.922 5383320.824 21395250.52 21308402.34 9363085.131 4974501.648 5765464.745 7196540.873 15063598.33 16988011.71 5578437.744 8683737.983 5603829.289 18549395.41 11979182.44 7477381.766 3947515.446 19732153.84 15670185.16 13748446.76 19618541.49 7358267.063 14740319.69 12575652.37 9067187.332 15555180.56 7924411.315 9269526.931 8686809.506 13113952.72 3063321.019 4252274.866 14137101.6 18990420.33 8904141.312 8271752.614 18650280.85 40181484.6 8958503.374 40951450.06 11993962.52 26442597.43 32436396.67 36521872.78 3725617.522 4717667.769 12270893.43 17381557.7 2281098.546 5474364.195 7606684.304 26077640.68 8139334.324 4423163.71 14458287.21 13611306.69 17058944.22 12921001.84 30831635.6 16967917.59 9578021.449 33333431.46 16360361.9 10233179.44 13939830.65 10247492.69 7253110.807 1394483.868 6883109.797 9581572.898 19160558.99 10603656.77 9796203.701 6492779.992 19494818.49 2090793.448 5581341.01 4113005.434 7041951.001 12595405.75 7846631.123 8981764.354 9407707.092 12709138.46 10403690.44 4001495.068 13322921.93 8801991.279 17186448.82 3805668.394 6722021.161 12104965.7 4436048.752 9127240.596 4816073.184 3358422.903 12078106.06 18373970.76 12980009.81 14756610.64 13233363.26 14935084.56 15848721.68 14305801.38 19401390.59 9311111.688 17524338.8 7377624.308 7986170.783 26318111.34 12759342.92 3672367.293 Palmitoyl-L-Carnitine 62367530.61 62922512.89 53402714.37 133542973.7 104343935.3 58309611.87 82301262.17 78816925.95 120365932.4 72777436.19 74786592.86 56180901.2 91777399.26 56123113.44 73298603.48 68367661.21 92193107.13 84385693.56 72342060.24 80050545.35 89615846.89 52298131.85 83437727.06 90536671.6 53000075.78 91205668.03 86902851.85 65188021.65 39805533.53 54536333.82 66350551.57 66154967.92 82397173.79 59744365.58 54295644.15 67400873.97 94744853.17 82246854.31 68222194.55 93085976.99 63685843.91 111677033.6 70947297.06 58176080.31 84452483.71 47018172.44 100369813.6 82022123.77 100805309.9 65694395.81 67205195.85 52444662.91 65121565.98 109272821.9 67862586.37 60178936.92 63548767.24 56642478.17 61658520.34 65734333 68581695.92 60056011.66 82834906.41 56408934.63 105193918.4 61909858.54 72607048.35 77329565.68 90846676.95 68742681.59 53488682.58 68228865.92 45357241.99 70442673.48 67181949.87 33925602.81 85435876.74 63161846.33 59075632.9 93858910.49 63687325.75 84259855.55 73526955.01 86228106.96 60890899.26 61474563.77 50288655.39 66835834.47 80862544.31 58625422.6 37968494.87 65752962.4 39498109.34 53189600.39 70135675 85281256.67 66470372.83 71055697.63 71487777.49 69342677.06 72127834.41 71539269.01 68855328.63 70950654.81 69978117.31 70417805.76 69213000.12 72251794.61 69684895.06 70448098.54 67954457.61 72573614.56 Phenylalanine 1678310721 1435508443 1454269232 1814273735 1102950147 1647028878 1363983312 1356946472 1899588701 1550163144 1395716637 1376151634 1613306060 1277288975 2324157495 1634503018 1314648473 1649720207 1223049497 1612347709 1130033320 1372785951 1415243121 1842612792 1409242582 1566064592 1478163055 1406331535 1489508308 1615043352 931583976.8 1047876533 1573465884 1452037074 1390714827 1198542634 1597146967 1022156138 1160071071 1210864637 1297739563 1391188787 1826270558 1140723987 1468258037 1276041691 2084035806 1367352989 1021847678 1113426105 1073280488 1245451810 1359118497 983816500.6 1664628340 1142215555 1230466409 1297917110 1070813195 1113447376 1238243656 1115595865 1791423888 1270693289 1511866508 1265475479 1505283976 1643409891 1142967474 1287361831 1221983396 1197235869 1052781019 1150105530 1586093234 1454347125 1379421143 1203255296 1052714328 1127569694 1082677398 1576284440 1582951380 1478010815 1336649812 1416770750 2048027323 1294088836 1194758340 1337634663 1073321649 1183153120 1848022678 1147615756 1178968138 1547121580 1423978386 1307615953 1435001807 1380250386 1398112949 1378990888 1396335271 1370029294 1421528510 1361722529 1385737593 1366362779 1462555089 1242114308 1396493883 1442147879 Pipecolic acid 99477108.73 60523625.72 50135473.62 78303386.45 63160023.52 23226284.01 83587211.88 55370940.52 197756256.5 45915695.86 103014422.8 188000336.4 102703256.5 89133314.75 68413448.66 108237134.7 88349953.88 144094093.6 135503769.2 87605762 68585817.63 96254184.86 75481149.22 65409095.07 101937538.5 66156941.33 74181675.5 59509863.29 47689116.4 37730341.92 60282315.59 47641839.33 73175129.86 47615236.39 52604677.55 59863736.34 42456181.27 39405278.08 40765526.37 113340442.4 48837825.25 67533494.6 62409600.16 93268526.82 67371868.59 55514884.41 100275579.1 57327118.11 50271827.85 62310256.08 105337159.4 36209989.99 65677894.17 47074015.65 89262941.91 115641632.8 87422212.35 43022776.16 64351249.9 87086995.47 93942975.64 111224259.7 65059938.12 132579317.6 50352035.34 32991203.33 110844966.1 14460562.81 69693788.7 63498410.41 87204515.34 52059289.71 66489559.92 66001741.36 75031911.58 13707995.04 54178047.47 119097022.5 63610228.28 41732611.31 49792751.93 49220365.48 79788031.35 185353087.1 61994961.54 76403275.95 69231943.58 83202814.27 45199471.49 70537604.81 65066638.45 49916854.17 10235553.87 60165227.54 107986029.3 54203287.84 91164919.73 73525484.26 78341577.18 80940946.64 82860249.04 81734753.77 76449784.66 64886296.12 83465246.9 83550399.72 81835384.4 80184304.85 75696244.86 84040612.63 76645297.56 83219806.86 Proline 301276492.6 820792043.9 493987723.1 474785256.2 349695045.2 1109578174 404662101.5 425799713.7 440633463.5 416124550 493052589.6 374966182.5 397042355.9 271722119 760763784.2 402089998.1 328783928.6 542870966.4 303534261.6 674624044.1 338466365 658642848.7 295232873.7 548080965.3 507215157.4 425805391.5 496696254.6 563880648.8 591457205.6 506129046.2 302410106.9 187143354.8 618114180.2 991628315.4 483680979.9 418411502.2 514970330.8 494429660 347761174.7 325063322 346258833.9 428020919.7 874416550.2 339194279.4 414416596.3 1015574570 246750386.5 202264353.5 442983083.5 380860200.9 503752231 420999785.8 782849506 437328325.5 548963148.4 438387138.7 633491525.2 542187265.9 459678022.4 501480563.9 401952253.5 638705974.9 962905883 421002190.2 412458973.5 589481411.9 678506850.6 650198169.2 558585154.4 336390417.2 637904692.9 364005405.7 428422831.8 255698212.7 935707475.3 1286418045 539094986.9 362401755.7 297133970.5 400852456.8 248622394.6 525834162.3 606056434.4 498133897.2 622486690.4 428151827.3 503163785.7 363460706.2 406390589.8 773387104.7 325149365.8 436033442.2 1697563161 312839665.3 390448893.1 276607435.5 498477068.5 432292928.9 475420351.4 464829113.5 479202153.3 469097867.1 459592520.4 472574959.5 470452959.6 464096038.7 460857844.7 469244435.3 501444865.8 421909503.2 477266614.3 479841784.1 Propionyl-L-Carnitine 241865714.9 385415554.2 255971396.1 380943169.3 419609145 615699057.5 182132698.2 368524550.6 639535842.6 287553854.1 370035059.9 253890647.3 295707236.5 254850223.8 324784777.2 555446064.7 319601302.9 343801983 347749212.4 446281705.2 308559568.5 543265582.5 252279715.7 531411809.3 281622675.8 445657962.3 309034746.1 443480177.5 252545710.8 302159554.7 196208400.6 176774610.8 413753063.7 226521278.1 241351720.9 164689484.3 287113635.6 198449686.1 268998349.2 399007750.4 284943282.7 367549983.2 403975788.2 462807388.5 266727280.3 230620677.8 307890814.3 377029355.1 192726753.7 312192362.3 279267067.7 268847171.1 203307851 494890654 305731047 216001459.1 301210387.4 344426736 359806514.6 270565096.6 217980079.6 197046794.7 613980478.7 453339158.4 203742990.6 242393997.5 481551776.9 281555500.9 208110210.4 253948359.9 204105745.8 273217443.7 231011239.1 268187760.8 327715500.3 278114316.4 231805438.9 287815687.1 217470083.2 183884126.3 243050931.2 464815849.2 315418968.2 472052981.6 350301871.4 240618476.9 349597711 350449795.1 225405172.1 114749015.2 142223745.9 344914221.3 357662848.7 193106569.7 195242255.8 215980636.2 313681702.4 305288286.4 318862012.1 312050478 314621033.9 310862392.4 314948545.9 310889434.1 313227799.2 312504125.5 307181785.2 321752129.2 310893398.6 309442043 314622211.3 311670720.5 Putrescine 1607682.981 443258.2125 588824.7672 530637.8447 1317068.584 322978.6463 2268553.62 2070276.167 404604.3015 941856.619 1009921.369 2105003.566 1759924.028 1790123.354 1643763.869 1245548.596 2131747.038 1240034.398 699721.4324 601276.5216 2887844.969 3483934.841 3929330.85 2629050.933 810784.6938 840752.6715 2947884.336 940981.2767 677942.8806 3847836.285 1368749.04 2908923.545 3574321.796 2541643.635 2235086.818 1907837.265 670860.3884 2183813.087 1429106.05 2036375.357 1822518.134 2086850.851 517367.0855 1251144.365 649487.3739 533326.13 805858.7035 3093450.128 895456.0949 467403.5631 541298.5167 2324298.002 913449.3333 987396.8725 709739.0457 613238.0236 1531592.637 1045311.948 1548904.502 1147657.414 2194175.838 1712114.117 1814991.238 721157.9454 559113.988 1168905.399 1221932.184 527246.9251 3385008.296 1630031.719 550904.7232 517571.0422 1878505.896 1885674.148 574607.2481 907995.0502 808180.8761 2906301.472 676839.6422 1039914.121 299480.8929 1682725.702 1132100.044 1567105.724 637442.4501 3168070.654 1491666.839 602576.5828 3149804.778 728318.251 2279672.774 1153610.981 577469.144 2551845.281 593175.1761 274487.584 1521224.214 1547967.862 1733988.126 1605264.945 1555007.227 1690771.295 1491785.995 1571562.245 1702316.674 1509636.386 1725770.958 1430098.859 1375625.578 1783293.867 1625776.847 1509925.237 Pyrimidine 2669988.942 5356605.928 2400179.494 3361105.254 2946014.209 3771737.697 2938753.317 3875029.595 3678530.049 3158385.104 3194015.433 2307461.777 3856220.141 3320055.014 2120053.258 1821051.416 3594523.551 4343111.663 4611585.09 3959408.816 2110786.568 4040005.995 3442511.306 2847093.937 2922719.822 3205836.251 3778471.614 2272487.344 2483357.456 2568477.064 3561385.935 2669051.918 2204821.708 2221554.645 2498682.181 2218640.34 5071354.583 1909140.244 3047716.103 2335030.388 2834115.084 3098132.433 5121938.437 3345576.265 2991193.59 2047174.934 2966474.973 2781318.266 3098628.168 4966918.744 3953584.263 1829887.274 2883890.107 2920890.695 3016626.456 3754502.708 3909954.327 4240978.116 3363124.216 2664488.837 3358716.877 3439275.802 2230738.232 3276310.686 3496287.02 2861967.741 3150523.995 3301049.685 4132280.169 3497779.943 5163249.004 3561665.579 3746308.933 5283411.296 4068025.837 1885625.373 3768425.952 2458117.181 3651611.491 2922196.297 4380431.402 2371244.74 5382218.466 3062994.308 4687806.993 3065813.815 3120645.801 3658133.219 3998780.278 4561793.299 2329694.129 4097780.787 757535.0403 3100784.548 2245783.61 3295392.634 2744468.234 3317301.731 3269371.781 3073651.436 3082908.811 3263253.119 3040455.017 3081566.187 2679802.764 3523849.437 2749616.775 3561262.961 3057177.936 3285608.106 3188993.511 2953065.013 Pyroglutamic acid 10707684.6 10263170.29 8451223.959 37272061.07 18875518.23 3603590.608 11496589.24 18790753.28 17125531.51 14229582.18 19470252.52 16876980.29 9217774.935 17363544.12 49412906.16 12496397.58 20018046.93 5836156.466 3391510.243 6010894.181 2914246.581 12868178.35 987719.8543 21290466 4288382.696 3128846.661 20166837.46 8487764.071 2981196.593 13596808.64 11358611.12 9388583.169 15005456.63 2772841.486 727119.9104 5045610.601 518846.0951 10936228.64 14122554.65 11299250.86 46101167.81 7557216.508 34657921.71 9602032.595 21565424.76 14771466.18 13539588.98 709347.6987 9224665.065 4232839.694 12647940.02 20918652.58 9644148.219 18117485.99 4684795.937 8352919.418 7277272.585 14532140.74 6490809.765 17680242.25 37445410.31 4852394.164 27682635.93 17299909.81 9301757.276 20066674.95 12606973.11 2553217.491 8298275.943 18046744.58 17885548.31 11237322.8 26583302.2 13522312.82 27686152.39 2706237.267 13021401.03 10394893.07 5467038.481 12933628.13 17101203.37 9483549.837 18352421.64 16694764.04 22731352.35 10974845.06 14121408.91 9696021.441 17265296.46 11807694.73 1284650.443 2409148.159 437918.0474 16214349.01 3220054.84 17538262 15248907.44 15757599.03 16250241.99 15918440.54 15984565.59 15478635.18 16299673.41 15958486.78 16033733.42 15347915.65 15907782.25 15416563.27 15875680.42 15795155.33 15108885.82 16311836.04 Serine 84922802.74 90416553.96 66153505.88 68036735.82 71277688.86 81389556.7 83784800.14 26197418.49 93742589.63 74224142.18 43548944.11 88362602.32 66590139.37 73529792.99 88601402.83 60314739.23 62160235.48 85917144.54 94578422.07 86374161.84 69308144.58 74807505.32 105620126.1 66436040.97 89871422.73 94022843.36 65392691.95 45209287.94 58340910.26 79848022.02 49864149.2 79007833.28 82271690.74 84458994.88 59929280.55 57668164.95 71341734.61 85873948.85 107041284.7 100070074.1 61733900.7 76971959.21 88367388.31 91010138.23 107694780.7 91507903.44 75559079.94 79237872.54 51041174.39 102013064.7 85679439.79 79433548.81 104477258 80612116.45 57935182.16 68781084.8 70280508.37 72464564.81 89874068.33 67660833.82 122399781.3 115506520.8 95716607.65 65152881.61 85877795.49 60191493.81 75890063.67 78917154.42 65875912.34 65917673.99 81674964.57 78019914.83 87502429.98 67731284.85 67082063.75 48308399.7 59150293.77 95395953.36 72691081.87 87939543.39 71689322.44 85565109.61 72760519.88 68624464.5 69758739.92 61313757.91 71576198.87 90565137.2 81592686.05 95281272.25 57730778.39 90297141.23 48323353.82 71631188.85 76938324.06 71973752.73 73643765.33 68125864.94 84163160.26 75971298.89 79283694.51 76976431.35 74748026.01 76484478.55 79553877.17 73258278.79 75734294.85 79019146.15 70336245.12 83287074.89 79037190.09 70852379.53 Taurine 41517850.5 29535098.4 34927449.88 27249522.55 59235287 30085371.4 35387247.41 35391361.28 41478565.74 44608514.02 33971430.46 67816484.73 90260690.65 77211475.44 74401003 86444170.35 65142032.22 264248352.8 176860608.9 210296223.1 100203525.4 91056177.61 66986554.65 29945002.86 28751253.85 64253310.48 51735467.36 34779501.56 30729726.06 35706191.4 23503071.03 39805471.79 35757548.26 23079910.64 31871365.44 21546789.92 39017171.92 70553297.86 70623963.7 76018098.86 63948206.33 81700484.79 114813233.6 92431851.96 189713243.6 135619993.4 160446289.6 81640859.12 248521625.2 171172093.3 135019864.3 76866097.83 191193056.1 128426098.3 172314074.4 170827021.6 118590131.8 116944778.8 65787277.76 58451778.68 66971121.58 112026166.9 60461074.33 38312986.74 31878009.56 25966481.36 30645896.15 30898672.49 36857706.65 24396039.85 40034072.04 27949286.49 31597346.79 27354819.63 36042640.99 31308785.57 36867397.9 47175123.71 30641409.39 23522707.57 73311300.06 22730277.42 52135639.84 35781958.99 36838268.3 42034541.66 33511471.03 32966242.58 36677652.25 50886485.92 26754042.22 43866039.45 32231894.74 42067415.47 34380997.88 35176315.13 71923046.56 67737930.27 65256214.09 68631375.94 67657049.39 67280128.27 68363070.59 69104540.53 68078130 67603125.32 68778886.99 67806906.52 65533471.78 71619469.66 67298632.67 67473878.93 Theophylline 79064771.14 564869820.2 247893414.2 235108459.1 109815775.8 210948972.3 82252648.5 56996634.31 162770622.1 322279647.7 149591531.5 3127971.135 5150601.441 42622810.99 26960637.99 72511322.52 8888366.382 42432981.72 42214449.13 58601666.16 105327140.1 42699108.07 102345138.8 1378386.873 81682778.33 34429.66541 72480913.69 100837033.1 80828217.66 283551071 44844754.51 59496670.9 20211523.68 17403329.4 73076583.97 46553208.06 90345763.21 43556188.24 29276018.52 20542488.56 5544857.317 15201315.52 104155962.7 46582518.48 496192.2173 34630223.87 3338628.938 11110199.45 6414669.733 7355763.942 13077731.58 3920906.634 7342730.024 15684100.52 36948889.04 57009566.7 9178725.518 32920040.48 1113094.563 11157944.53 0 22114690.61 1481446.925 56164347.91 93951879.71 70008105.89 21957055.78 36799730.02 60191672.01 14233510.67 45811958.5 73257106.49 93255465.72 7932433.844 72011983.83 108416358.5 8744128.42 17552068.8 67178391.82 132531613.3 42856038.78 2315268.037 90361335.85 43520391.91 50737308.82 131079234.9 195022263.4 77719352.39 7702777.138 127273563.7 45330725.67 59868.04328 505713721.3 29303352.18 64555277.38 223337665.8 57979083.05 49500489.83 56348976.38 55222403.87 43876023.35 55459783.39 56513736.01 49956496.15 56518439.89 54188087.98 54821537.62 53338653.51 56534411.82 53290803.31 54399072.44 55042469.78 Threonine 57865872.79 82586286.2 95004253.77 87730706.22 64376279.29 111898007.5 76059710.21 58720252.24 95560341.77 58425571.67 53979916.56 65817501.16 64482480.12 96106353.71 74986095.17 59046922.01 57745446.58 100790876 68117685.22 69062005.71 60968068.85 108097816.3 87913087.94 98877727.51 78318008.26 69213601.33 81182626 71809621.94 59882901.99 58947044.36 30367786.29 35883473.67 87720947.5 99461242 99600024.36 71164373.94 67876903.64 82371171.58 91142153.44 87242191.07 62696086.42 64423146.71 149132488.3 75434616.2 89430160.28 61371336.5 54242332.46 70831638.93 60395142.8 95035781.2 73426656.79 89941303.8 104877792.6 85471432.63 76541126.33 62725484.6 67860127.29 62130238.39 76159264.69 65024880.39 84212166.32 99984275.15 98296417.09 63509323.32 75051731 52483646 70608691.64 96705448.7 85105020.67 69428311.47 61854412.04 102261632.1 93446663.71 80193217.36 63463793.59 110867643 49840914.89 54347012.01 106623165 95252267.89 81170271.19 66306155.57 105377317.7 65038967.35 87035416.48 39635214.52 81841247.65 71789040.96 86996089.6 84742682.77 60648050.84 85591437.92 #DIV/0! 115716200.9 49384568.28 36715407.98 82037542.96 77626737.58 78895962.54 79255491.34 84540344.07 74574937.82 82259493.25 78350900.8 80922242.9 78328606.07 78251901.1 81084058 79693532.11 80797153.18 79348419.38 78798906.88 Thymine 25706777.67 29606141.2 20950922.69 17757216.88 21518542.25 28703346.98 21755904.51 24809984.54 22331357.81 19912069.96 20973204.73 26418437.04 22129393.57 23913820.68 24315059.2 23345129.66 23837858.44 24747703.99 26148145.51 24843622.05 12771873.05 25525438.32 27112822.76 16431961.42 15508437.79 12351447.77 26476597.22 18582818.61 9112885.174 22995579.03 17460260.65 19777190.88 18357453.2 12816163.05 21055284.37 20584833.12 16715439.31 10585429.67 23870188.89 22365608.03 21370001.58 13453412.17 26456635.57 22097024.05 24852880.1 21242311.51 22386296.39 35214447.97 34047915.9 28008007.47 27401823.27 24640487.23 21387891 23147758.86 26490095.61 28350515.25 24027530.74 24842365.09 26218649.86 26249720.42 26595813.37 13950356.52 28252401.85 18876276.07 18641075.68 17986654.96 22903539.94 25343696.02 18483924.01 16329753.33 22722542.41 18169266.72 22863258.74 15903447.83 21680280.28 22290606.78 20472816.77 22930580.79 28446378.57 17873574.31 17338917.28 18577272.66 28255847.18 22637011.55 22933218.03 25016847.23 23506640.78 24201852.01 17663885.95 26001761.48 17259345.14 25752954.75 16384200.7 18798179.5 16639941.28 21535507.38 17702008.82 16442925.75 20288311.5 18704657.1 14528273.21 19017973.98 19284289.61 16753590.54 18829070.95 18140190.46 17990868.19 18315089.95 18691125.53 16397494.48 18840182.79 18335227.8 trans-4-Hydroxy-L-proline 3446328.262 19135998.25 3921706.124 7487216.115 8192743.797 57247796.28 3946814.572 11306179.01 7607148.536 4104047.62 6724272.797 6147527.287 12283180.51 2218387.121 4847121.101 3830931.563 4755669.452 12591297.49 2453199.16 10953475.03 12038195.27 4855287.68 13028403.92 10881092.84 12935510.59 5074745.942 10914534.91 14313933.22 21917829.28 9218575.076 7509751.971 2752852.08 2691991.476 44272972.34 5292494.484 10086496.63 2722765.277 5346916.355 6902210.047 5415751.548 3260989.173 9965778.964 10321477.8 7712231.287 19459552.85 21168002.7 3329997.494 18849237.74 43351700.01 13089434.94 5597693.588 4684611.948 8152290.665 16961561.32 8343878.731 4187807.417 20849484.53 7860493.689 17856938.28 10896404.52 11492823.53 14311884.67 6563372.849 10989533.72 2635475.023 14094160.79 14083737.74 20515255.42 11134874.95 8234205.662 10948992.67 5877238.235 27492272.2 13096276.3 4840136.331 36182313.68 6128563.803 4929058.526 5319111.497 3670423.797 5868691.187 5927771.26 9021809.327 23825085.73 11928141.18 9684943.998 21447284.54 17403939.78 2568684.499 10977014.95 7787001.097 9493094.221 97140351.1 6378907.597 7765360.357 6236303.645 7657520.238 9499072.517 8664131.267 7966988.756 8840952.238 7657514.847 8311795.982 8774987.429 8063696.55 8750715.75 8251850.857 8676609.435 8891689.547 8810036.895 8446667.06 8392680.447 Trigonelline 6360558.48 69745363.63 17318287.33 25358496.77 12967339.44 4962937.399 7009060.88 2221661.107 98939580.29 7284062.319 10002351.38 4295376.219 2069571.787 4651945.52 10996312.38 31581241.67 2851985.378 44336649.67 7635808.379 29045035.59 8545168.601 47669307.45 10757639.51 4282719.04 9660394.365 1215008.917 15587207.4 9470715.214 18862221.85 6393178.187 6245169.702 10865419.51 22271523 9745308.236 3090112.826 6786355.526 9938709.548 5970385.767 1650206.538 329574.403 9665947.25 1107121.758 29724167.88 3926922.068 7021975.103 553548.6372 2806818.415 3419169.99 289474.2471 1610360.974 1293269.764 1295392.263 26079300.99 3417606.458 4184453.474 7247575.166 1873735.865 1674164.407 820685.0353 12142494.75 7929756.523 2103903.956 1326400.707 7264854.199 9332853.684 1495716.932 3906751.262 1604410.699 1603346.243 3460788.088 5286425.605 5787676.625 4300831.902 5149167.686 3359454.329 917346.8549 1137516.669 3717396.136 1526026.996 3765578.977 35806735.92 1784507.923 17390468.09 4306266.336 1427825.191 32467563.04 5467050.959 3559014.641 4616641.898 8034734.137 2174858.953 905543.0834 5849772.965 8869930.16 4119047.178 2118427.224 10378488.72 9702271.202 10403602.24 10192997.71 10269112.84 10205407.81 10024231.02 10495000.82 10142521.11 10062416.12 10231099.91 9987938.134 10464724.32 9882766.602 10609715.57 9888139.343 Tyrosine 495649886.4 364773202.3 486476069.3 718848683.9 310677797.6 315990680.9 418684744.2 348267469.5 530102999.7 476131980.1 412144278.2 311540490.7 335404144 218857004.6 407454693.5 342110102.5 308840486 453290895.5 384089223.2 460002027.5 304639236 379693210.9 329070580 433277807.8 350870567.3 378579196.5 494543572.3 426705715.7 485756300.6 351000928.4 213667086 255862149.3 516485204.2 371581021.7 451124611 335831161.8 456332394.8 328088000.2 340742877.5 339703677 364344223.6 287493253.7 549862527.6 329472475.1 381623003.7 317467277.2 267722469.8 353356568.2 260213746.4 312072053.1 352770346.4 366343148 341726604.8 302576400 391046877.5 306634214.7 371348516.4 432671696.1 314918867.4 252096884.3 343008266 360742432.2 536773823.4 419900814.3 288650129 312078339.1 415027695 428506644.9 346437076.9 246928936.3 348687072.3 321641465 329353084 328004730.5 439285615 405268722.4 327963281 298716857.9 216241169.8 340594900 299640715.8 405948602.1 354539571.4 397723925.4 386163187.1 397538282.4 399502288.3 439635329.7 310820719.1 352478355 246025034.4 301917857.1 406519261.4 309738481 247892381.7 265775058 413034967.6 332845947.3 384048837 374976857 371380176.8 364082967.4 391707845.9 375873230.3 356885754.1 394126817.5 376867930 373263837.2 374634651.1 374826962.7 384803677.4 366982590.4 Uracil 14913659.81 7402811.759 10062670.46 7830614.009 11397542.29 6925037.242 9799282.662 6277949.261 13852154.57 7394873.82 9491346.643 23526403.73 26728437.54 16987359.43 19577802.22 8111413.074 22610455.02 31161811.76 21241035.33 15086433.87 10193163.49 20330830.2 28856495.86 7983695.469 11575106.89 11131514.54 17278516.84 9004596.97 5714405.086 17335787.44 7635382.414 12070689.86 10391620.01 9584719.573 9431868.028 11747959.36 10113853.61 10573720.22 17219242.77 20643662.16 16438519.92 23059349.1 11837463.74 16436627.57 27374253.12 10321903.38 15792422.1 34845408.81 14413980.53 15455691.39 15324134.23 15319551.2 15117499.75 21239319.99 19904073.81 17915985.24 12088847.52 26068773.36 22571204.99 16679031.8 20770613.13 11868301.76 6730696.711 12205947.78 6745815.865 10414536.73 10958340.59 6814211.392 7020073.025 7086346.769 9963410.744 3813386.247 9878031.293 10951598.96 7465092.789 12303650.38 13156880.93 15703001.63 8911022.276 7073206.336 6721999.801 9562582.723 19504920.99 10031752.44 13032913.72 12169553.72 10117163.9 17096216.12 7210718.596 12050602.04 7001558.656 10154925.85 18100014.02 9204723.333 9256670.847 11351724.53 12247812.2 12501596.44 13077443.89 12750873.98 11565585.59 12953467.61 12737743.94 12113335.67 13007075.37 12434909.11 12623124.63 12331628.06 13381296.73 11045848.36 12603166.56 13288483.47 Urea 87183803.59 63954640.67 87347779.15 70151908.14 114806059 20186333.79 92335831.17 57762256.74 118009851.4 70157069.83 60392233.51 80950087.33 158568465.2 69397143.29 128422676 159080826.2 80004183.83 59506374.86 73526091.73 117093755.1 114586313.2 97606740.55 105643300.1 62435059.57 54137044.15 89209723.21 77959283.7 103354241.5 79233431.63 94992008.17 52806229.12 53947218.8 59924880.37 50205328.26 70461377.98 70317232.14 39177196.64 99087105.29 85915859.24 220501047.2 67146717.3 110178375 138642864 92811068.14 55690245.91 94077986.95 101500435.5 116587434.7 24221359.68 66705058.36 94244424.94 183100712.1 104790974.9 67894814.08 91002211.28 40418235.42 67558376.84 134137609.1 132783732.9 109090845.6 99237614.9 95931820.57 112188382.4 56436884.33 39711890.99 79476896.76 71790892.4 26234239.96 26718189.04 41300406.49 95957297.17 92450877.85 65225221.73 81238241.55 80449219.81 19583358 101800193.8 96431832.06 71516258.3 38805835.16 63265424.99 45493924.69 88730836.69 83642375.66 51543325.62 66975616.9 88131383.71 77849770.88 59091229.92 49091757.38 90289446.5 89605391.53 8575426.396 94229838.57 51511618.99 83031752.34 76523581.61 92548771.51 114552309.7 91129238.43 73011754.53 118179840.2 83843137.66 95402121.5 101995098.9 83751064.25 92944605.04 98721862.9 76902865.33 105704223.5 82457150.07 99232767.75 Urocanic acid 1325001.304 2668905.388 3190044.153 2033655.782 3801348.437 647775.7687 3303018.286 2006458.196 3261569.248 1625409.096 1922129.943 4030536.85 7348807.72 2523883.346 2207218.488 5322834.614 4047154.287 1499149.507 1299670.794 1268236.2 915290.0847 2290175.231 745665.2408 2599941.82 3776724.882 2031412.942 2123387.154 2016348.367 1812452.607 2787047.639 735160.2688 1938815.99 1610039.701 1193929.688 1868073.502 1661688.16 2884595.862 3234778.455 4490347.058 2480303.174 2099021.805 2035672.016 2485885.509 2549098.08 2639772.391 10567450.02 5000548.665 9532217.713 6614221.272 2241149.285 1628359.327 3487356.025 4969245.723 2289486.711 2269994.833 1307249.393 3701185.264 2963895.703 1063095.979 3144831.692 2917826.564 6533867.043 2673845.943 1398430.746 1251545.894 1575876.221 9962908.193 275301.3615 2696349.135 2677658.461 2126090.725 4185877.927 2367712.773 6710618.324 753574.3629 231390.8895 7569586.862 1615301.958 1956446.537 2073213.356 3010183.645 737846.0633 1023933.583 2958713.114 1052823.986 1201846.767 1592482.511 2124952.751 7176747.834 2161031.721 5369507.922 1725770.761 0 2677870.526 4538772.432 2050938.785 2990401.652 2917842.97 3176423.126 3048346.159 2975704.883 2887037.633 3073626.523 2976533.71 3091817.372 2982679.09 3026058.79 2985114.468 3143896.636 2728193.526 3172255.994 3016188.558 Valine 101121981.7 148465785.8 160672134.7 167253215.8 149499917.2 155405795.1 111626235.8 128443800.1 152896456.2 118887399.2 160299937.7 122110589.4 174466199.2 147325115 155806727.4 190870505.4 138589087.6 205408653 148396347.4 204039744.3 184816695.3 165282339.7 187779990.8 155163344.5 159148124.1 144936848.4 140232650 137297702.6 128820713.8 142504727.7 85371298.94 94997451.12 154961018.4 129460437.8 109656676.2 99609196.42 133572633.9 132260067.6 118448713.5 187841001.1 137227154.7 191492072.3 224314719.9 159735339 169190510.6 144131985.6 161262681.3 186843174.6 115262919.7 141726062.9 107121964.6 132452963.8 111717692.2 152024658.7 194007338.8 113136933.3 158678311.9 161966687.2 176363158.4 117499823.6 147009676.3 134693336.8 285231045.5 142254812.1 125844111.7 128087270.4 160355774.1 138111677 104413190.8 137402214.3 169868163.9 141300294.5 141142717.9 130698495.4 171525513.6 136958288.8 136342287.9 154825392.9 125646862.3 105611282.6 111062107.8 132955848.6 143986918.2 138421124.4 182241725.2 128616235.3 193816337.5 163338021 111437122.9 106331005.4 111495847.2 126385176.7 175472827.3 123444051.6 99169407.25 105611816 151640165.9 146108018.6 151108180.5 149294824.7 149199961 153369894.4 146528280.6 150536907.4 150376931.4 148146289.4 148484745 151706570.6 147984360.7 150055142.9 154833592.6 144391479.2 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem KEGG "1,7-Dimethylxanthine" HMDB0001860 4687 C13747 1-Aminocyclopropanecarboxylic acid HMDB0036458 535 C01234 1-Methyladenosine HMDB0003331 27476 C02494 1-Methylhistidine HMDB0000001 92105 C01152 1-Methylnicotinamide HMDB0000699 457 C02918 2-Aminoisobutyric acid HMDB0001906 6119 C03665 2-Methylbutyryl-L-Carnitine HMDB0000378 6426901 NA 2-quinolinecarboxylic acid HMDB0000842 7124 C06325 5-aminovaleric acid betaine NA 14274897 NA Acetoacetate HMDB0000060 96 C00164 Acetyl-L-Carnitine HMDB0000201 7045767 C02571 Adenine HMDB0000034 190 C00147 Alanine betaine HMDB0004827 7016563 C10172 Arginine HMDB0000517 6322 C00062 Asparagine butyl ester NA 13783308 NA Benzoic acid HMDB0001870 243 C00539 Betaine HMDB0000043 247 C00719 Bilirubin HMDB0000054 21252250 C00486 Biliverdin HMDB0001008 5353439 C00500 Butyryl-L-Carnitine HMDB0002013 439829 C02862 Carnitine HMDB0000062 2724480 C00318 Choline HMDB0000097 305 C00114 Citrulline HMDB0000904 9750 C00327 Creatine HMDB0000064 586 C00300 Creatinine HMDB0000562 588 C00791 Cytosine HMDB0000630 597 C00380 Decanoyl-L-Carnitine HMDB0000651 10245190 NA Dimethylglycine HMDB0000092 673 C01026 Ethanolamine HMDB0000149 700 C00189 Glutamic acid HMDB0000148 33032 C00025 Glutamic acid gamma methyl ester NA 68662 NA Glutamine HMDB0000641 5961 C00064 Glycine HMDB0000123 750 C00037 Guanidineacetic acid HMDB0000128 763 C00581 Hexanoyl-L-Carnitine HMDB0000756 3246938 NA Hippuric acid HMDB0000714 464 C01586 Histamine HMDB0000870 774 C00388 Histidine HMDB0000177 6274 C00135 Homoarginine HMDB0000670 9085 C01924 Hypoxanthine HMDB0000157 790 C00262 Indole HMDB0000738 798 C00463 Isobutyryl-L-Carnitine HMDB0000736 168379 NA Isoleucine HMDB0000172 6306 C00407 Isovaleryl-L-Carnitine HMDB0000688 6426851 NA Kynurenic acid HMDB0000715 3845 C01717 Lauroyl-L-Carnitine HMDB0002250 168381 NA L-beta-Homoproline HMDB0029444 123784 NA Leucine HMDB0000687 6106 C00123 Methionine HMDB0000696 6137 C00073 Myristoyl-L-Carnitine HMDB0005066 53477791 NA "N,N,N-Trimethyllysine" HMDB0001325 440121 C03793 N-Acetyl-L-lysine HMDB0000446 192590 C12989 N-epsilon-Acetyllysine HMDB0000206 92832 C02727 Nicotinamide HMDB0001406 936 C00153 Octanoyl-L-Carnitine HMDB0000791 11953814 C02838 Ornithine HMDB0000214 6262 C00077 Palmitoyl-L-Carnitine HMDB0000222 11953816 C02990 Phenylalanine HMDB0000159 6140 C00079 Pipecolic acid HMDB0000070 849 C00408 Proline HMDB0000162 145742 C00148 Propionyl-L-Carnitine HMDB0000824 107738 C03017 Putrescine HMDB0001414 1045 C00134 Pyrimidine HMDB0003361 9260 C00396 Pyroglutamic acid HMDB0000267 7405 C01879 Serine HMDB0062263 5951 C00716 Taurine HMDB0000251 1123 C00245 Theophylline HMDB0001889 2153 C07130 Threonine HMDB0000167 6288 C00188 Thymine HMDB0000262 1135 C00178 trans-4-Hydroxy-L-proline HMDB0000725 5810 C01157 Trigonelline HMDB0000875 5570 C01004 Tyrosine HMDB0000158 6057 C00082 Uracil HMDB0000300 1174 C00106 Urea HMDB0000294 2447 C00086 Urocanic acid HMDB0000301 736715 C00785 Valine HMDB0000883 6287 C00183 METABOLITES_END #END