#METABOLOMICS WORKBENCH Carol_Glez_20210601_004645 DATATRACK_ID:2661 STUDY_ID:ST001814 ANALYSIS_ID:AN002942 PROJECT_ID:PR001147 VERSION 1 CREATED_ON June 3, 2021, 12:38 am #PROJECT PR:PROJECT_TITLE Searching for prognostic biomarkers of Parkinson´s Disease development in the PR:PROJECT_TITLE Spanish EPIC cohort through a multiplatform metabolomics approach PR:PROJECT_SUMMARY The lack of knowledge about the onset and progression of Parkinson’s disease PR:PROJECT_SUMMARY (PD) hampers its early diagnosis and treatment. We used a multiplatform PR:PROJECT_SUMMARY untargeted metabolomics-based approach to uncover the biochemical remodeling PR:PROJECT_SUMMARY induced by PD in a really early and pre-symptomatic stage and unveiling early PR:PROJECT_SUMMARY potential diagnostic biomarkers. Baseline pre-clinical plasma samples (Pre-PD PR:PROJECT_SUMMARY n=39; control group n=39) were obtained from the European Prospective Study on PR:PROJECT_SUMMARY Nutrition and Cancer (EPIC) cohort, which healthy volunteers were followed for PR:PROJECT_SUMMARY around 15 years to ascertain incident PD. Our finding revealed alterations in PR:PROJECT_SUMMARY fatty acids metabolism, mitochondrial dysfunction, oxidative stress, and PR:PROJECT_SUMMARY gut-brain axis dysregulation. This study is of inestimable value since this is PR:PROJECT_SUMMARY the first study conducted with samples collected many years before the disease PR:PROJECT_SUMMARY development. PR:INSTITUTE Universidad CEU San Pablo PR:DEPARTMENT Center of Metabolomics and Bioanalysis PR:LAST_NAME Gonzalez-Riano PR:FIRST_NAME Carolina PR:ADDRESS Facultad de Farmacia, Universidad CEU San Pablo, Campus Monteprincipe, Boadilla PR:ADDRESS del Monte, Boadilla del Monte, Madrid, 28668, Spain PR:EMAIL carolina.gonzalezriano@ceu.es PR:PHONE 00 34 91 3724753 #STUDY ST:STUDY_TITLE Searching for prognostic biomarkers of Parkinson´s Disease development in the ST:STUDY_TITLE Spanish EPIC cohort through a multiplatform metabolomics approach ST:STUDY_SUMMARY The lack of knowledge about the onset and progression of Parkinson’s disease ST:STUDY_SUMMARY (PD) hampers its early diagnosis and treatment. We used a multiplatform ST:STUDY_SUMMARY untargeted metabolomics-based approach to uncover the biochemical remodeling ST:STUDY_SUMMARY induced by PD in a really early and pre-symptomatic stage and unveiling early ST:STUDY_SUMMARY potential diagnostic biomarkers. Baseline pre-clinical plasma samples (Pre-PD ST:STUDY_SUMMARY n=39; control group n=39) were obtained from the European Prospective Study on ST:STUDY_SUMMARY Nutrition and Cancer (EPIC) cohort, which healthy volunteers were followed for ST:STUDY_SUMMARY around 15 years to ascertain incident PD. Our finding revealed alterations in ST:STUDY_SUMMARY fatty acids metabolism, mitochondrial dysfunction, oxidative stress, and ST:STUDY_SUMMARY gut-brain axis dysregulation. This study is of inestimable value since this is ST:STUDY_SUMMARY the first study conducted with samples collected many years before the disease ST:STUDY_SUMMARY development. ST:INSTITUTE Universidad CEU San Pablo ST:LAST_NAME Gonzalez-Riano ST:FIRST_NAME Carolina ST:ADDRESS km 0, Universidad CEU-San Pablo Urbanización Montepríncipe. M-501, 28925 ST:ADDRESS Alcorcón ST:EMAIL carolina.gonzalezriano@ceu.es ST:PHONE 646251045 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #FACTORS #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 Local Sample ID Sample name Factor1:Classification RAW_FILE_NAME=Raw Data file SUBJECT_SAMPLE_FACTORS 2 2 Factor1:CASE RAW_FILE_NAME=2 SUBJECT_SAMPLE_FACTORS 5 5 Factor1:CASE RAW_FILE_NAME=5 SUBJECT_SAMPLE_FACTORS 8 8 Factor1:CASE RAW_FILE_NAME=8 SUBJECT_SAMPLE_FACTORS 12 12 Factor1:CASE RAW_FILE_NAME=12 SUBJECT_SAMPLE_FACTORS 15 15 Factor1:CASE RAW_FILE_NAME=15 SUBJECT_SAMPLE_FACTORS 19 19 Factor1:CASE RAW_FILE_NAME=19 SUBJECT_SAMPLE_FACTORS 21 21 Factor1:CASE RAW_FILE_NAME=21 SUBJECT_SAMPLE_FACTORS 23 23 Factor1:CASE RAW_FILE_NAME=23 SUBJECT_SAMPLE_FACTORS 25 25 Factor1:CASE RAW_FILE_NAME=25 SUBJECT_SAMPLE_FACTORS 27 27 Factor1:CASE RAW_FILE_NAME=27 SUBJECT_SAMPLE_FACTORS 28 28 Factor1:CASE RAW_FILE_NAME=28 SUBJECT_SAMPLE_FACTORS 30 30 Factor1:CASE RAW_FILE_NAME=30 SUBJECT_SAMPLE_FACTORS 32 32 Factor1:CASE RAW_FILE_NAME=32 SUBJECT_SAMPLE_FACTORS 33 33 Factor1:CASE RAW_FILE_NAME=33 SUBJECT_SAMPLE_FACTORS 34 34 Factor1:CASE RAW_FILE_NAME=34 SUBJECT_SAMPLE_FACTORS 35 35 Factor1:CASE RAW_FILE_NAME=35 SUBJECT_SAMPLE_FACTORS 36 36 Factor1:CASE RAW_FILE_NAME=36 SUBJECT_SAMPLE_FACTORS 39 39 Factor1:CASE RAW_FILE_NAME=39 SUBJECT_SAMPLE_FACTORS 40 40 Factor1:CASE RAW_FILE_NAME=40 SUBJECT_SAMPLE_FACTORS 42 42 Factor1:CASE RAW_FILE_NAME=42 SUBJECT_SAMPLE_FACTORS 43 43 Factor1:CASE RAW_FILE_NAME=43 SUBJECT_SAMPLE_FACTORS 44 44 Factor1:CASE RAW_FILE_NAME=44 SUBJECT_SAMPLE_FACTORS 46 46 Factor1:CASE RAW_FILE_NAME=46 SUBJECT_SAMPLE_FACTORS 47 47 Factor1:CASE RAW_FILE_NAME=47 SUBJECT_SAMPLE_FACTORS 48 48 Factor1:CASE RAW_FILE_NAME=48 SUBJECT_SAMPLE_FACTORS 49 49 Factor1:CASE RAW_FILE_NAME=49 SUBJECT_SAMPLE_FACTORS 50 50 Factor1:CASE RAW_FILE_NAME=50 SUBJECT_SAMPLE_FACTORS 53 53 Factor1:CASE RAW_FILE_NAME=53 SUBJECT_SAMPLE_FACTORS 54 54 Factor1:CASE RAW_FILE_NAME=54 SUBJECT_SAMPLE_FACTORS 56 56 Factor1:CASE RAW_FILE_NAME=56 SUBJECT_SAMPLE_FACTORS 57 57 Factor1:CASE RAW_FILE_NAME=57 SUBJECT_SAMPLE_FACTORS 60 60 Factor1:CASE RAW_FILE_NAME=60 SUBJECT_SAMPLE_FACTORS 62 62 Factor1:CASE RAW_FILE_NAME=62 SUBJECT_SAMPLE_FACTORS 64 64 Factor1:CASE RAW_FILE_NAME=64 SUBJECT_SAMPLE_FACTORS 65 65 Factor1:CASE RAW_FILE_NAME=65 SUBJECT_SAMPLE_FACTORS 67 67 Factor1:CASE RAW_FILE_NAME=67 SUBJECT_SAMPLE_FACTORS 68 68 Factor1:CASE RAW_FILE_NAME=68 SUBJECT_SAMPLE_FACTORS 70 70 Factor1:CASE RAW_FILE_NAME=70 SUBJECT_SAMPLE_FACTORS 71 71 Factor1:CASE RAW_FILE_NAME=71 SUBJECT_SAMPLE_FACTORS C12A C12A Factor1:CONTROL RAW_FILE_NAME=C12A SUBJECT_SAMPLE_FACTORS C15B C15B Factor1:CONTROL RAW_FILE_NAME=C15B SUBJECT_SAMPLE_FACTORS C19B C19B Factor1:CONTROL RAW_FILE_NAME=C19B SUBJECT_SAMPLE_FACTORS C21B C21B Factor1:CONTROL RAW_FILE_NAME=C21B SUBJECT_SAMPLE_FACTORS C23A C23A Factor1:CONTROL RAW_FILE_NAME=C23A SUBJECT_SAMPLE_FACTORS C25B C25B Factor1:CONTROL RAW_FILE_NAME=C25B SUBJECT_SAMPLE_FACTORS C27A C27A Factor1:CONTROL RAW_FILE_NAME=C27A SUBJECT_SAMPLE_FACTORS C28A C28A Factor1:CONTROL RAW_FILE_NAME=C28A SUBJECT_SAMPLE_FACTORS C2A C2A Factor1:CONTROL RAW_FILE_NAME=C2A SUBJECT_SAMPLE_FACTORS C30B C30B Factor1:CONTROL RAW_FILE_NAME=C30B SUBJECT_SAMPLE_FACTORS C32B C32B Factor1:CONTROL RAW_FILE_NAME=C32B SUBJECT_SAMPLE_FACTORS C33A C33A Factor1:CONTROL RAW_FILE_NAME=C33A SUBJECT_SAMPLE_FACTORS C34B C34B Factor1:CONTROL RAW_FILE_NAME=C34B SUBJECT_SAMPLE_FACTORS C35B C35B Factor1:CONTROL RAW_FILE_NAME=C35B SUBJECT_SAMPLE_FACTORS C36A C36A Factor1:CONTROL RAW_FILE_NAME=C36A SUBJECT_SAMPLE_FACTORS C39A C39A Factor1:CONTROL RAW_FILE_NAME=C39A SUBJECT_SAMPLE_FACTORS C40B C40B Factor1:CONTROL RAW_FILE_NAME=C40B SUBJECT_SAMPLE_FACTORS C42A C42A Factor1:CONTROL RAW_FILE_NAME=C42A SUBJECT_SAMPLE_FACTORS C43A C43A Factor1:CONTROL RAW_FILE_NAME=C43A SUBJECT_SAMPLE_FACTORS C44B C44B Factor1:CONTROL RAW_FILE_NAME=C44B SUBJECT_SAMPLE_FACTORS C46B C46B Factor1:CONTROL RAW_FILE_NAME=C46B SUBJECT_SAMPLE_FACTORS C47A C47A Factor1:CONTROL RAW_FILE_NAME=C47A SUBJECT_SAMPLE_FACTORS C48A C48A Factor1:CONTROL RAW_FILE_NAME=C48A SUBJECT_SAMPLE_FACTORS C49A C49A Factor1:CONTROL RAW_FILE_NAME=C49A SUBJECT_SAMPLE_FACTORS C50B C50B Factor1:CONTROL RAW_FILE_NAME=C50B SUBJECT_SAMPLE_FACTORS C53A C53A Factor1:CONTROL RAW_FILE_NAME=C53A SUBJECT_SAMPLE_FACTORS C54A C54A Factor1:CONTROL RAW_FILE_NAME=C54A SUBJECT_SAMPLE_FACTORS C56B C56B Factor1:CONTROL RAW_FILE_NAME=C56B SUBJECT_SAMPLE_FACTORS C57A C57A Factor1:CONTROL RAW_FILE_NAME=C57A SUBJECT_SAMPLE_FACTORS C5A C5A Factor1:CONTROL RAW_FILE_NAME=C5A SUBJECT_SAMPLE_FACTORS C60A C60A Factor1:CONTROL RAW_FILE_NAME=C60A SUBJECT_SAMPLE_FACTORS C62B C62B Factor1:CONTROL RAW_FILE_NAME=C62B SUBJECT_SAMPLE_FACTORS C64B C64B Factor1:CONTROL RAW_FILE_NAME=C64B SUBJECT_SAMPLE_FACTORS C65A C65A Factor1:CONTROL RAW_FILE_NAME=C65A SUBJECT_SAMPLE_FACTORS C67B C67B Factor1:CONTROL RAW_FILE_NAME=C67B SUBJECT_SAMPLE_FACTORS C68A C68A Factor1:CONTROL RAW_FILE_NAME=C68A SUBJECT_SAMPLE_FACTORS C70A C70A Factor1:CONTROL RAW_FILE_NAME=C70A SUBJECT_SAMPLE_FACTORS C71B C71B Factor1:CONTROL RAW_FILE_NAME=C71B SUBJECT_SAMPLE_FACTORS C8A C8A Factor1:CONTROL RAW_FILE_NAME=C8A #COLLECTION CO:COLLECTION_SUMMARY On the day of the interview subjects were appointed for blood sample analysis CO:COLLECTION_SUMMARY within the next week at the primary care centre, where the interview took place, CO:COLLECTION_SUMMARY and a 30 ml blood sample were obtained at baseline. Fasting venous blood samples CO:COLLECTION_SUMMARY were drawn and immediately processed and were divided into 0.5 ml aliquots of CO:COLLECTION_SUMMARY plasma, serum, concentrated red blood cells and buffy coat, and stored in liquid CO:COLLECTION_SUMMARY nitrogen tanks at –190ºC until analysis. CO:SAMPLE_TYPE Blood (plasma) CO:STORAGE_CONDITIONS -80℃ #TREATMENT TR:TREATMENT_SUMMARY Briefly, for GC-MS analysis, protein precipitation was achieved by mixing 1 TR:TREATMENT_SUMMARY volume of plasma with 3 volumes of cold (-20°C) acetonitrile, followed by TR:TREATMENT_SUMMARY methoximation with O-methoxyamine hydrochloride (15 mg/mL) in pyridine, and TR:TREATMENT_SUMMARY silylation with BSTFA:TMSC (99:1). Finally, 20 ppm of tricosane in heptane was TR:TREATMENT_SUMMARY added as internal standard (IS). For CE-MS analysis, 100 µL of plasma was mixed TR:TREATMENT_SUMMARY with 100 µL of 0.2 M formic acid containing 5% acetonitrile and 0.4 mM TR:TREATMENT_SUMMARY methionine sulfone as IS. The sample was transferred to a centrifree TR:TREATMENT_SUMMARY ultracentrifugation device (Millipore Ireland Ltd.,Carrigtohill, Ireland) with a TR:TREATMENT_SUMMARY 30 kDa protein cutoff for deproteinization through centrifugation (2000 g, 4 TR:TREATMENT_SUMMARY °C, 70 min). For LC-MS analysis, 100 µL of plasma was mixed with 300 µL of a TR:TREATMENT_SUMMARY cold mixture (-20°C) of methanol:ethanol (1:1, v/v) for deproteinization. TR:TREATMENT_SUMMARY Samples were centrifuged (13,000 g, 4°C, 20 min). After centrifugation, 100 µL TR:TREATMENT_SUMMARY of the supernatant was directly injected into the system. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY for GC-MS analysis, protein precipitation was achieved by mixing 1 volume of SP:SAMPLEPREP_SUMMARY plasma with 3 volumes of cold (-20°C) acetonitrile, followed by methoximation SP:SAMPLEPREP_SUMMARY with O-methoxyamine hydrochloride (15 mg/mL) in pyridine, and silylation with SP:SAMPLEPREP_SUMMARY BSTFA:TMSC (99:1). Finally, 20 ppm of tricosane in heptane was added as internal SP:SAMPLEPREP_SUMMARY standard (IS). For CE-MS analysis, 100 µL of plasma was mixed with 100 µL of SP:SAMPLEPREP_SUMMARY 0.2 M formic acid containing 5% acetonitrile and 0.4 mM methionine sulfone as SP:SAMPLEPREP_SUMMARY IS. The sample was transferred to a centrifree ultracentrifugation device SP:SAMPLEPREP_SUMMARY (Millipore Ireland Ltd.,Carrigtohill, Ireland) with a 30 kDa protein cutoff for SP:SAMPLEPREP_SUMMARY deproteinization through centrifugation (2000 g, 4 °C, 70 min). For LC-MS SP:SAMPLEPREP_SUMMARY analysis, 100 µL of plasma was mixed with 300 µL of a cold mixture (-20°C) of SP:SAMPLEPREP_SUMMARY methanol:ethanol (1:1, v/v) for deproteinization. Samples were centrifuged SP:SAMPLEPREP_SUMMARY (13,000 g, 4°C, 20 min). After centrifugation, 100 µL of the supernatant was SP:SAMPLEPREP_SUMMARY directly injected into the system. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY An Agilent GC system (7890A) coupled to a- 5975C mass spectrometer (Agilent CH:CHROMATOGRAPHY_SUMMARY Technologies) was used to perform metabolite fingerprinting of plasma samples. CH:CHROMATOGRAPHY_SUMMARY Briefly, 2 μL of derivatized samples were automatically injected in split mode CH:CHROMATOGRAPHY_SUMMARY (ratio 1:10) through a split liner of ultra-inert deactivated glass wool from CH:CHROMATOGRAPHY_SUMMARY Agilent. The separation of the compounds was achieved using a pre-column (10 m CH:CHROMATOGRAPHY_SUMMARY J&W integrated with Agilent 122‐5532G) combined with a GC DB5-MS column CH:CHROMATOGRAPHY_SUMMARY (length, 30 m; internal diameter, 0.25 mm; and 0.25 μm film of 95% of CH:CHROMATOGRAPHY_SUMMARY dimethyl/5% diphenylpolysiloxane). CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890A CH:COLUMN_NAME Agilent DB5-MS (30m x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 5975C MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Agilent MSD ChemStation software (Agilent Technologies); Agilent MassHunter MS:MS_COMMENTS Qualitative B.08.00; Agilent MassHunter Unknowns Analysis Tool 9.0. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AREA MS_METABOLITE_DATA_START Samples 2 5 8 12 15 19 21 23 25 27 28 30 32 33 34 35 36 39 40 43 44 46 47 48 49 50 53 54 56 57 60 62 64 65 70 71 C12A C15B C19B C21B C23A C25B C27A C28A C2A C30B C32B C33A C34B C35B C36A C39A C40B C42A C43A C44B C46B C47A C48A C49A C50B C53A C54A C56B C57A C5A C60A C62B C64B C65A C67B C68A C70A C71B C8A Factors Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CASE Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL Factor1:CONTROL 3-Hydroxybutyric acid 8419.277507 7038.536741 4891.088151 5832.486025 6421.645943 7555.395371 35226.658 16379.78421 16963.73027 4223.746353 5978.213469 12797.54091 7530.505078 30240.20003 12286.54288 15996.42713 11442.80189 18232.59139 17559.1611 7191.539201 13874.82285 10419.41123 12483.87539 14545.11493 14918.63404 9995.540829 11758.26929 18873.03611 14137.26424 10494.61594 15615.97569 9137.592595 12525.44856 16961.54285 17182.69736 18643.24361 6274.983902 12546.45782 4267.137134 8431.705659 8649.877574 5823.081987 12722.3103 6209.464042 10909.21799 6163.2336 8698.786233 23359.55697 10023.62852 20118.44326 8566.822371 148691.3694 25786.50491 50817.76676 75065.50131 12426.4324 59389.16999 82689.21699 8434.860599 16548.2059 12634.41789 40647.80745 17274.00255 68546.87059 21073.71157 58618.7432 48585.48911 9980.263717 52518.84683 38706.87822 7955.644114 13015.74854 10793.51156 11162.7855 9139.420993 Palmitoleic acid 1605.327171 1454.361795 1603.472439 2828.924658 1856.877483 1873.110374 1219.167545 1181.114829 1788.770563 413.6238107 1386.363258 2511.545285 583.2608323 2985.745713 1695.474101 3728.098397 2884.362154 2975.198777 928.4019113 460.76349 1062.161967 846.638361 1691.804686 3160.204815 1724.969808 2260.731822 1325.644427 2710.230607 2548.038349 2506.445923 2479.901277 4045.946296 3881.082545 3681.035823 1188.813513 3555.233956 2625.615887 1361.586334 1517.055662 1926.647031 3339.591566 4106.494107 875.5173648 1141.982152 906.1253065 2436.674112 831.6428935 1919.75826 1055.345364 3742.443587 2120.180684 3568.922246 3717.997965 3148.069303 3475.950403 2408.780182 7416.359796 15184.07916 1927.631986 4736.669644 1492.731122 2046.209784 2678.01477 4481.928807 3153.091129 4117.374649 2545.158911 5389.329253 4909.369028 3269.319354 2245.141058 3768.840265 2009.712943 2771.887738 1902.799194 2-Hydroxy-3-methylbutyric acid 8115.167302 10432.32679 4380.385786 7764.26587 7883.858952 7065.215457 17656.76142 4975.555894 7509.397938 12256.46773 4613.643411 7053.13461 7558.217243 3342.329372 8703.681197 7004.993941 7073.958932 12149.01944 8506.363777 6101.388168 6383.454223 10930.3032 14960.7459 19366.0737 10431.86087 28238.40481 8372.998117 7281.987277 13739.88164 6620.29682 13837.5759 13383.14839 12574.47282 8612.743192 13133.32723 13882.44497 4305.603575 7109.492674 3437.346134 6440.806748 11876.83428 11046.55825 6165.44413 7965.449028 6910.172241 3374.41787 32414.61164 17994.88357 20332.87676 4937.784409 6079.070796 10711.16004 26856.37509 22727.5246 4131.379256 8635.048744 47848.78637 21198.41421 17416.69336 23412.74351 45888.19749 25447.25497 7388.901919 10618.02508 16868.01325 5070.413563 17781.09019 17536.47851 8261.532909 17727.68373 5009.559246 24435.26234 4852.300083 10835.09025 5050.962062 Linoleic acid 12121.24215 6367.787253 12913.23707 16568.19363 7237.168622 9931.388102 4790.761625 9665.113811 11147.39403 5854.745776 5796.907642 19287.76964 4547.525935 29210.11961 8895.763717 28987.44332 32142.86055 26117.70353 12828.53256 6222.748692 7352.500199 8018.008637 19127.67303 22346.38451 11198.2767 13718.02129 9992.523729 30319.751 21805.64223 14975.42026 29925.71569 20717.47868 20992.97771 17005.63311 16792.35368 24395.24857 10329.15594 14239.72879 8589.89326 14311.08988 26980.58986 15117.3471 10701.29072 8919.118592 10346.26417 11865.18559 11621.86469 30765.51172 5428.975545 18252.93921 14199.8328 37874.26119 34008.03081 20919.57882 27390.70026 19614.70035 49849.89327 97480.36794 7980.209175 24067.01211 5207.425934 25495.85977 15197.26841 33928.23746 18178.00953 30229.24986 15071.35226 25716.71814 35880.80236 40711.83636 18753.37097 15290.24384 14542.01129 22997.95867 11909.78217 Lactamide 57674.04427 49468.55466 39159.43775 27323.48523 26042.30489 32984.65116 64110.24434 47557.50435 40197.16294 36915.20822 35164.10411 29372.41993 57135.80189 63682.54245 53526.55513 45986.63496 30489.83948 39014.88341 63850.05896 48573.54176 37644.81649 54288.92105 37596.98979 45987.50874 52358.11834 37685.48782 76349.43847 54208.88968 72913.4563 57725.65365 39867.07222 62688.00948 55168.3523 123964.3004 45844.52405 17589.26309 30876.07241 36759.37478 51628.60145 61984.08477 39640.97881 31184.40905 43553.32335 88042.09379 52560.35243 37015.69258 45593.1141 48600.97076 26898.1145 83333.53177 26762.11624 219472.238 61269.97563 103277.7006 105226.5704 78224.08893 112566.1403 110770.0503 27862.28982 75709.85593 58277.52973 95425.49986 49109.587 158925.5333 41920.81779 122636.8003 92037.96366 49571.15968 100793.8273 89556.20398 55587.75999 48903.73564 40645.68856 26957.44341 58765.64075 Oleic acid 26533.84887 13336.18248 28277.07712 41506.70237 22378.95987 21777.35656 10444.42358 20550.35771 25538.70303 14823.82577 14734.40564 44423.74171 10888.64721 67669.96875 23258.85453 67595.61946 74505.80691 66198.31703 30336.23715 16985.35864 17370.94079 21036.69439 44254.93296 57716.47507 28408.81303 36925.9177 22537.36899 75575.68353 47615.94576 37312.02089 72956.31713 46599.10387 44421.06764 39061.86874 38421.44254 58561.39554 27925.63991 34888.91062 19773.9462 29023.24415 62631.97857 34973.58582 25343.19253 18348.78687 25033.50899 33502.04839 25557.60297 69435.39958 12935.35379 52385.19408 36040.79871 94426.46305 83094.11268 49065.4483 65808.06924 41148.86726 119230.1988 228925.9965 21232.33177 60060.20393 12712.7424 48354.0973 34207.03373 79111.75378 37771.00651 74156.56417 34832.59565 60235.40883 77881.81468 98117.32555 44702.07362 39252.87528 32764.91342 50790.08859 31879.61607 Palmitic acid 60640.246 39421.21234 43824.05086 62770.06902 41224.99859 49237.03688 39281.49301 48563.99488 41791.00197 43260.9812 30250.18326 57549.00272 35616.99886 100845.8909 41720.50968 83722.00393 81070.10383 84810.99647 48199.53101 41058.50766 36703.56603 40947.00897 61688.00291 77056.91055 41550.68996 51041.122 48986.57952 94550.77967 65327.25561 50446.94658 93226.79176 73229.5758 80494.79703 64817.52972 52531.00213 68600.51007 43467.95299 51225.67704 39517.99865 48953.98178 67323.97889 72628.51191 43844.67284 43046.12873 49728.29547 46184.00217 46483.16731 85694.15292 40010.00189 73107.70747 73769.24827 89995.9195 87617.96404 69839.9173 104490.8762 70092.80934 100700.2351 204221.0096 47160.00223 95238.21181 44474.7481 88339.92098 57094.8388 100580.086 80561.0038 66448.65489 74357.99685 96963.48451 87082.24673 143360.6928 61796.00292 64878.03001 59182.68847 75370.9946 40513.03387 Threitol 3445.448246 2611.236836 1653.004285 2197.525527 1454.857455 3799.357206 2466.09874 1523.514729 2268.475854 2930.73264 2898.285128 2104.877128 2037.770338 2258.23517 4005.009075 3255.124548 3491.154709 3439.67961 2599.846863 2410.778435 1437.934761 3575.871672 3532.823419 4282.039554 4585.976773 2510.045763 4274.8163 2843.04077 4745.821133 3929.073461 3931.802976 4193.570068 5087.513341 3437.724061 3935.169783 3843.296937 2102.340611 2368.593431 3071.568534 2598.426542 3473.581475 3304.315849 2428.346519 3302.149795 2235.139633 1997.622242 3140.214173 3237.277969 3025.022334 3253.864445 3318.097664 6410.277506 3887.235585 3483.601447 2751.348775 3854.166921 3731.315893 7464.197364 2357.362353 7638.220327 5327.904769 6291.446826 3460.366735 2505.969955 6697.447337 3463.28648 3875.89413 3127.977437 3098.16352 8123.206264 4227.567046 4477.257275 3195.129052 3877.540689 1703.478296 Trans-aconitic acid 2779.666026 1127.432821 1752.840134 1394.75732 1795.107018 2930.771637 2788.506673 1941.247367 1472.924301 3448.760062 1655.226774 2163.720138 2991.14518 1993.898944 3530.976194 2220.281886 1817.700206 2136.236378 1852.373496 3741.640218 1472.814579 2142.613804 2560.2775 4458.626301 2587.665111 2965.45536 2732.158039 2746.675771 3595.067681 2846.736982 2435.046728 4388.758871 3542.895726 5549.099861 3599.020207 3237.591629 1800.945394 1638.559546 2158.060349 2623.343387 2302.984688 5019.050496 1326.541372 2367.717082 2556.840276 1422.3553 3487.281607 2537.994481 1925.169711 2043.037457 3319.299329 2982.259742 3090.967018 1912.936632 1585.168569 2001.191264 3859.126357 2885.085105 5571.764215 11640.87011 2784.397901 5059.619988 3091.354011 9356.255782 2350.609288 4142.551569 1581.834826 4778.21265 3537.195429 9611.877318 3020.928369 4862.60617 2571.855688 5283.450135 1622.830101 Stearic acid 36744.7084 19950.09777 25574.62012 22432.76226 20462.32984 28893.91251 21285.68316 26613.31332 21230.37731 23781.85655 17321.04066 28727.32095 29538.52522 35421.58759 25067.10987 35259.35795 31711.13484 34873.33365 24496.73865 21993.22663 17370.5118 27454.87972 29911.7181 31131.57203 19284.27566 16269.65115 20979.736 43741.05452 31309.50106 25832.77273 33601.96102 27922.40625 28070.31038 28395.2205 26156.34744 27786.71638 19260.18182 27326.60665 21096.88987 24258.50264 27045.13734 29295.90402 25365.46746 30447.28975 25554.1181 21234.69265 30033.35417 46262.50437 21289.37647 35209.85194 39599.7065 34510.41263 35706.41486 36158.04022 41302.63443 49242.74956 32143.33922 50140.38471 23975.69878 33887.22962 21657.80976 43397.90492 33975.31041 36167.49349 32491.83596 33475.63648 22310.77727 38458.69199 37229.75145 71382.61416 27191.9562 25819.95213 26032.88018 34396.98024 23031.12418 Lysine 3658.594016 895.3862531 1707.773281 1812.830717 618.3263035 2242.891564 1001.397064 953.7116635 841.2298108 926.6652056 595.4334678 947.000675 1421.343401 2223.734877 5551.748837 3564.956127 1053.46578 3841.98286 2952.634484 4331.460179 692.0001096 4590.351415 3349.529323 2725.272185 5556.851689 2498.308659 2689.497459 4681.170743 20727.85962 8148.115003 5492.178795 16705.19776 9336.512897 7298.240285 8164.200568 2595.448047 1065.106942 2470.724383 1845.088222 727.3626558 1281.384614 2322.502037 764.1324088 2171.242178 776.4077594 1076.500036 1784.353961 2570.337312 1992.9997 2323.33912 2452.115307 5717.393041 4219.627148 4889.999948 3979.793141 8381.537218 1726.344313 11614.93678 6007.217774 4426.878385 2306.622311 4907.730786 4860.586157 7004.031529 5186.603089 5119.280148 2440.668685 5650.779616 3333.530841 5968.742101 3581.68963 3609.59273 2664.59584 5656.55346 1584.168638 Beta-alanine 17453.09234 8021.299039 12505.21986 7374.574553 6728.755692 14904.75258 13891.28022 10336.36464 6432.215686 9715.124145 8018.422163 11571.52448 9436.41524 10770.62781 20053.32648 14290.48833 11618.44036 15608.27175 23104.70928 20440.2879 7101.178226 33204.89612 19870.31605 22213.05891 17951.40371 19557.89033 21332.85579 20226.47557 116297.3578 28946.87427 19502.07938 51931.20625 37408.15995 42872.23669 33787.10619 16771.34441 5419.290084 12014.71111 10021.74812 11519.52002 16163.5651 14816.9589 16421.6534 20232.82566 8232.20778 11866.21263 22585.56189 22707.85546 10443.9034 14126.91894 14423.75487 17544.85064 27625.16482 21825.20406 13725.23203 37470.72306 16827.02032 37630.67163 22628.59412 30636.40233 20973.36533 29358.66671 40429.98332 31437.54191 18836.56997 28608.24179 17535.79297 37884.24718 23378.77262 45055.01581 18791.82899 22331.90451 18050.87669 28208.97528 15407.5622 trans-4-hydroxy-L-proline 14229.90147 6692.200282 10954.10114 6405.794568 6685.777923 10985.81398 8825.261349 6621.183103 4838.879448 6726.591593 6966.279269 7354.28543 6985.881472 6307.679081 12085.64121 6314.304672 6091.088914 6039.804993 8064.659523 9759.139197 6326.682898 14384.9649 11640.32902 11584.55728 9239.442188 7478.356293 8567.258993 8594.133071 38072.19461 16412.29649 13769.87927 17088.46058 13880.96329 14973.96628 12913.11427 1222.12774 5856.767486 7866.561466 8337.510332 8026.637099 11770.45467 7343.221474 10118.46505 10030.24208 5155.050523 5407.99308 9866.35147 10400.69711 5360.36713 3578.59807 9780.534993 11347.53586 6990.894228 13848.80408 8495.946069 31020.31832 8362.772074 11826.05967 9210.514958 9792.771455 11256.63807 12511.24727 13331.00696 21161.19101 10845.96958 15172.80491 9711.054614 12254.34779 8009.541432 22006.59426 9863.905182 7349.347973 8134.609826 19812.10145 8263.865289 Nonanoic acid 4617.866615 2319.033543 5605.255501 2211.028129 2051.882917 3241.795753 4407.42784 2430.276008 3241.929783 3106.246337 2566.694645 2303.62936 2387.088221 2010.077736 3922.059766 1849.888651 2174.567359 1951.119176 3532.38687 5631.068047 1312.002525 3164.169062 2341.697569 2115.784356 2880.755131 1677.139654 3335.32538 3519.268052 4993.194208 7835.510776 3261.679239 9959.046713 5367.141828 5099.174461 3873.682991 2778.145604 2504.167138 1599.475682 3000.155808 4244.04642 2299.671187 2310.012508 2310.139534 3810.805354 3875.835796 1363.086904 3688.127476 3593.383083 2439.242349 3438.360947 4043.015545 3027.589703 4649.671477 4478.920046 1151.297102 8084.228657 1480.508997 4594.827262 2783.4263 3211.75568 1953.563311 2203.642484 3138.215072 2386.872867 2719.456215 10871.17736 3329.447909 5530.486458 5607.726282 3931.36576 4371.557149 2687.815017 3156.217001 4607.453604 1470.414309 Phenylalanine 12340.44369 12571.26942 6740.574567 13098.1517 16116.03478 13814.39068 7844.672498 11533.0107 16079.44449 17178.71564 11117.43198 17070.78673 11415.84663 22364.98139 18007.12323 18737.70445 15727.93225 24119.17901 16898.26292 21724.95457 15026.38877 15454.40083 21997.42378 19116.07381 18771.84287 21528.49237 20531.28237 22813.87916 19021.64926 15435.29273 19875.03708 14952.23458 20868.15786 15965.43287 22882.27184 9326.444468 11995.75537 17069.69514 14791.32388 13132.59458 16948.92527 20604.77536 13181.095 17911.35416 10517.24049 19076.16478 19747.17507 16433.80345 15943.86704 16558.45858 16927.1496 17131.97346 21989.35102 14943.70841 16878.71016 15966.39071 13424.29905 16599.51952 25083.07956 21506.06176 15787.10294 19098.48021 16012.30522 15424.99494 21409.18334 10475.07705 15710.05249 19060.44289 19201.36582 14043.41802 16170.15685 23984.90904 17576.64408 17951.55627 11575.76877 Fructose 6020.640059 8353.505179 7991.411397 7887.96092 6712.86251 10114.75632 12634.36974 13168.74462 7161.109164 11097.77685 9088.940818 8498.59929 8946.501223 38449.3682 18948.4984 13458.63603 8833.943599 17790.8311 17524.29513 19033.88836 8045.657959 20027.59116 19042.16278 12890.48177 23125.74122 26022.86089 15827.37317 21879.0329 22718.33096 15986.825 17230.66915 20149.33251 31719.72849 17748.02029 32389.52558 17332.5763 5234.574877 17715.46409 9138.057844 8806.079634 17179.17363 12649.92599 6334.661412 13651.22522 3711.028256 12085.93611 6694.03129 15059.83001 12645.55229 15040.14018 10497.17001 21237.58594 23295.91531 15903.184 27110.81304 21451.66698 14426.61683 27260.05911 19449.79865 13601.04003 17166.64248 24578.63101 31167.96999 36193.9514 49256.52285 11211.45378 20458.04292 10747.53149 15667.97258 26056.72735 18340.38431 47282.84284 18753.71664 19231.80425 10393.38124 Ornithine 28649.17856 11755.54458 20891.66291 18240.08266 13724.76065 21471.59558 18217.84287 18282.411 8964.482209 21846.57453 13132.36936 16138.06601 24808.65524 29847.30564 65023.482 33094.12352 17438.51981 27976.4699 27947.87497 49072.69265 13305.07509 34709.81968 44019.90836 45061.41122 73013.50888 38759.29405 39641.83545 36677.40192 191792.1798 83934.56173 31845.45749 251381.1657 160490.4527 101538.5351 114513.6542 37661.72539 11630.07286 26106.84871 22472.95031 14647.15069 27836.51038 37201.11152 16869.44571 22055.63874 17226.892 16821.93265 23497.5361 32426.40859 34497.12823 24309.72494 27226.46842 56931.71005 81609.10438 45262.17466 30559.82094 45241.62553 22976.999 109963.8949 47377.32098 52418.58953 32030.60079 79935.96759 78333.54964 122029.1235 41774.39393 48056.54411 36313.6317 40155.23744 58743.62557 146596.2956 70365.71306 65934.44428 31557.14815 115899.9869 24093.19468 p-cresol 5233.192523 3999.250104 7004.483816 7383.295435 4484.792568 2633.199908 2508.085788 3378.513202 5126.24237 2071.819648 3454.029652 1900.090682 5427.260605 4805.845191 7567.97886 1915.135076 3073.108446 4817.134363 5464.039188 3066.344511 3538.613321 11946.36229 6584.660672 2917.332912 7559.556669 5223.147221 9800.818181 2334.045429 3675.597805 8063.047614 4057.359969 2540.46074 10346.20337 7676.079177 3228.739264 13115.10122 1979.980536 10358.67477 2115.673867 9384.55707 3520.322796 1350.018819 2228.252821 4785.926189 4757.052263 5663.489297 5584.447423 5001.986351 4214.326835 4284.94854 9183.974952 6183.051849 1418.536741 2588.536209 4765.10936 7534.172724 2395.199444 7627.544919 6198.844297 1685.437535 6321.498773 5082.897384 7193.594114 3196.227566 8819.685506 3103.707149 5315.929925 3181.40089 5717.294983 2007.875662 1351.854152 5447.799664 2050.560701 5047.947137 3081.54452 Glycerol 87689.21463 57200.00023 78885.34508 105852.0877 61833.99436 94407.84794 67414.57944 65794.00027 60057.95735 73972.7194 62691.74414 99457.99474 60575.99808 125912.8344 77302.67064 103238.955 167691.0645 110018.2314 92680.00037 79932.67779 89507.75824 86775.01142 139981.9493 124342.824 149299.1008 107049.3888 90038.00036 223101.5845 184842.8005 111711.3782 115232.1151 157508.5719 234345.2041 125224.32 101105.8288 121800.5233 77344.86396 66707.80884 77344.29327 98920.65063 148750.7345 99504.90633 66360.00027 68912.22615 60248.49522 116625.9944 72180.70526 83522.1924 83291.6789 148173.0006 143554.3168 117952.4251 170847.0682 184082.8915 130637.2497 120105.2775 127044.9263 262524.7029 109571.1824 188830.9531 84787.00034 127548.0005 85923.11943 145763.0092 146886.2046 113708.189 148206.6995 92098.63345 95674.52847 225090.5486 101655.3496 142622.0873 80433.62138 123096.8379 78868.96404 Urea 3507068.536 2835901.495 2026479.983 3860294.722 3230542.691 4912070.888 1521851.335 3629343.311 2462517.94 3016292.412 2371168.705 5087831.396 2598198.977 3562262.37 6091312.46 2954709.214 2207490.567 4110457.226 5746788.305 7665911.429 3055884.386 6547930.327 5432367.896 4114399.298 3613759.974 4886102.106 6338555.868 2748725.32 8180856.612 5247660.775 4343513.47 6863281.91 5989805.213 5755706.311 6382678.746 122172.6052 3000548.583 4032656.892 3158374.221 3117473.915 4909952.404 3385298.432 2814165.813 6266122.413 3137627.538 3189055.893 2851674.416 8383218.256 3250594.254 3453458.761 2780498.67 6001279.963 5215796.133 4339934.762 3693293.262 5132037.606 2587392.433 3910038.341 4019537.41 4283399.504 5522444.987 5220126.756 4434402.407 5431576.173 8135486.713 3393548.998 4540206.775 4464951.668 5358299.829 5262830.594 5023218.835 4972299.7 4448295.243 8405689.415 2943166.563 Creatinine 16692.53491 14069.0984 13990.52688 15055.46455 15028.17604 19018.43749 14118.67489 20294.85851 16379.25986 23788.49919 8819.585395 16577.27998 14918.91092 11692.11931 26456.30228 21962.37697 16126.80995 20548.07089 15624.88108 40719.10419 17621.04848 28301.9123 30918.38259 35444.85855 31127.77626 19734.49358 37123.549 18085.12117 43842.79538 33129.34146 25811.85952 41840.45334 60609.72998 27002.3249 43298.75568 25768.76652 14052.73354 23857.73861 20437.88239 17458.59159 12105.2206 18643.09464 9769.349303 16468.21875 16281.91642 15250.10517 20619.23298 19157.87253 15645.01304 23361.70744 23941.83526 27542.98685 38305.15724 21484.97473 17660.03832 28768.46239 23736.31552 29323.66525 31403.34601 40346.78581 15698.68913 31473.83691 13737.65985 18365.8167 27679.65398 21404.31712 34608.33793 16142.66793 36197.07405 38670.22685 24590.49663 25787.19784 22244.53983 37939.48105 14971.9994 4-Aminobutanoic acid 3884.385942 3578.878642 4262.334029 3093.951332 4131.506107 4223.589456 6462.179166 3069.811226 3632.80878 5217.106046 3323.163626 3892.924379 5296.244561 3748.984978 3298.678976 2836.188903 4720.469271 2913.093992 3280.217528 4671.233474 4114.060526 3776.452652 3168.50135 6303.088176 3582.932044 5683.962905 4355.610731 2866.301101 4592.502886 4057.25069 3405.880612 4066.377745 3419.983896 5120.072037 4301.503831 8937.485104 4008.784352 3351.857101 3659.31436 3689.347123 4622.839592 7194.376832 212.3866065 4066.527115 5102.325335 3327.118556 4037.980207 3398.716271 3937.501222 3066.207127 3289.897769 3029.79095 3994.74382 4464.254514 3017.850302 3502.561035 5441.681461 3490.298546 3174.52382 4492.437853 2954.346987 3652.438337 3723.511687 3846.948722 3688.036686 4955.119225 3610.233007 4591.970821 5520.556758 4806.948082 3896.434376 4912.10584 2867.764501 5318.392532 4687.977672 Phosphoric acid 261336.2616 190208.7467 235799.3005 147272.5634 158724.3149 306770.6004 217117.7145 441258.9047 142642.8482 234397.4205 145914.1738 242462.504 327769.6162 398623.702 755882.7593 491709.8314 332699.3916 329761.8824 344345.2968 530341.0047 227515.1024 480422.8762 552238.2079 571084.4179 732175.4414 553469.2115 251313.3232 547119.7194 1944836.666 528094.4497 367705.0753 1372428.669 1018976.399 1367007.455 1017216.878 663626.9298 151484.6008 234309.5937 363059.2368 186304.1421 720685.1395 504068.8372 219904.3223 239386.8985 222592.7424 291571.2635 320732.4806 416196.4015 465538.737 429873.4033 587553.888 465443.5186 1092018.037 465187.3433 349261.9068 655961.411 438224.715 1167080.974 445112.9828 952562.6865 491851.6886 643476.9365 1035577.815 1246261.614 382855.5838 472989.0921 544621.5643 477250.1729 959237.6639 1129154.691 460858.3487 919043.9996 359651.3589 927039.689 294111.713 methyl-beta-D-galactopyranoside 28807.74907 60056.64276 32954.482 28642.64716 43658.80543 47559.17212 47727.18318 57680.5898 43515.96752 73054.09292 81374.60884 72860.03602 47654.09178 69310.00639 77940.72429 43388.98707 21571.55174 37291.75143 48909.87259 75336.80463 32946.45828 125517.6648 124075.7613 68274.47023 106604.0277 90914.4038 74660.95146 77220.11854 171902.2362 151082.7199 50612.02313 98949.74314 93185.79824 85914.35365 115370.2105 63328.04102 24679.34667 66703.85841 87467.07117 50363.07268 48549.72996 83557.41729 86774.82465 66441.03382 47697.62853 46462.57251 91371.70758 78360.33064 72809.08012 33402.9703 36612.19662 123214.761 84245.04334 50713.1025 8092.928566 46394.60865 63364.65043 110208.9081 80675.42822 162785.3042 79897.39827 68748.55551 4460.15153 84292.09687 5061.047573 30680.37055 75980.40294 48754.15745 100636.9801 114777.4232 86619.09655 117549.2966 79811.42753 120870.1127 59477.08401 Alanine 318874.8614 98848.64588 214492.6215 144239.0851 107139.5539 252040.218 108323.0822 73367.58368 73989.11821 158293.5601 87035.22214 121908.2183 169122.7726 192942.7685 182586.7227 220942.2688 101837.8982 213028.3695 119602.5669 232888.3614 60729.81242 249770.3885 260697.7582 246195.8398 329672.5683 130464.9735 131135.824 206614.5609 920585.9158 306255.7174 145816.6349 750043.41 549568.6009 580358.9401 245209.943 219493.493 90023.45554 165080.7118 157421.0258 146001.192 219333.606 185149.319 111178.0531 204770.6332 82415.71082 104374.4809 304610.298 231986.403 141209.2652 171232.7718 220211.791 153918.0215 413179.3131 184809.6205 125116.9569 383374.4213 123759.0306 379561.9508 314701.9647 496716.6413 126694.2182 361916.1005 260843.7948 352861.8219 156421.7355 209363.0032 161535.7366 286767.9267 134548.2751 593045.7645 154614.5039 260532.6094 101485.6231 324687.1127 148974.2307 Histidine 10675.15655 7453.418123 8913.709712 9859.625784 6497.105871 8715.570195 8292.932782 10023.82663 4926.602795 10586.26169 6163.784349 6528.830301 10414.60674 21030.94951 25504.90453 13333.41622 10221.96728 13145.33227 13953.67102 20437.81933 8305.637767 15025.15302 20382.84069 18273.79427 25755.62133 17828.57478 16058.29935 14981.08774 61913.98194 26876.62388 12751.21862 83569.36207 60415.67345 37448.46409 42156.67748 20338.84856 5938.030071 11442.0002 10467.96071 6505.527616 14237.60397 17207.89966 8836.289345 9928.554085 7048.824887 9151.391436 10266.03097 14653.65957 14689.65116 11748.42176 11643.90726 24379.36901 34023.14626 18644.18192 15848.12632 17499.7921 12176.28388 40900.34231 18987.06786 22268.46937 14022.56379 30236.47284 30828.57915 50419.59456 24471.35719 16369.0799 15277.89716 15400.10592 24460.89644 51237.96585 25085.20073 30562.00149 13353.99721 41761.77442 10566.19081 1-Monopalmitin 2998.455317 3078.086069 1925.650196 2578.856715 3755.239218 2278.023644 3504.348477 2666.689877 3358.685962 3322.054061 3388.384388 1890.631848 2185.433813 3495.058246 2304.524642 3067.882993 3362.682427 3724.674605 3552.928135 3444.6467 3013.77218 2735.451116 2543.613007 3720.737287 2014.759308 2817.763955 3124.12357 2236.852893 2181.484727 2482.549034 3529.191665 2176.60461 3302.314105 2194.315938 2954.019619 3799.527902 2512.260996 2714.394248 1461.07142 2568.022979 2793.756534 4328.482207 3041.523513 2622.65441 2893.758479 2758.47547 2672.394692 4575.035419 3433.270755 2697.47991 3395.217411 2891.608677 3395.074312 2952.648894 2879.595975 1486.72879 2797.812544 4795.155409 3126.157908 2578.918837 2845.789965 3128.195736 3375.972059 2122.671036 4061.518841 2010.634506 2357.402026 4462.041027 4017.392411 3121.951094 2573.777683 3319.60441 2127.181166 3632.925407 2632.358654 2-hydroxybutyric acid 14943.77305 22400.53837 18699.90402 26061.14576 20031.08903 48110.04251 30238.67785 25408.94877 20764.55877 19729.11819 11919.35681 23110.88986 29826.44131 50104.35728 31350.87153 37945.42956 26181.52084 63079.34489 30881.11896 31263.1875 22160.21024 33296.47954 52451.90435 44885.13241 25043.51915 53430.99784 34142.71957 64401.89389 86115.3022 33361.73121 44104.03161 63158.91159 58565.13456 44085.98418 34209.18961 39693.37645 22247.26866 24701.36658 16412.49014 22275.95236 30912.57805 33572.95833 20246.73922 29176.05166 28522.8883 18767.74772 40114.07844 57539.79063 16033.80179 25271.76827 29671.22083 39221.17 108606.7676 43048.79361 46510.47312 39197.2331 34988.94934 39553.04375 59111.61323 37563.25289 23269.63261 84935.20926 44161.60606 100780.1338 47425.92835 30277.878 46988.32234 53859.68548 36735.63962 69815.96885 26186.94589 65543.68947 25074.91298 46688.36853 21508.56469 Glutamine 22596.21881 9628.399396 23591.76322 8946.301157 8759.010414 21289.5857 18024.35088 14335.41215 5927.45217 12823.87933 9838.875263 11035.33618 13292.29522 13529.67226 21434.15763 19205.41013 13205.52905 16561.12821 18985.05738 17266.27588 7491.078088 25662.58186 22144.11198 17961.63482 26441.6435 10862.92235 12890.96198 19675.71201 98474.19803 29476.55161 17497.29135 68201.92852 38101.19685 44054.18205 25213.62873 1737.59044 5479.315626 14584.42291 11639.1032 11741.8287 24894.41749 10338.35407 17777.50116 17652.51359 10344.92096 13164.92024 19258.8285 24407.43529 14632.43012 15384.2064 18542.37095 21895.05896 28521.82618 19609.18276 13158.19873 47396.83506 9290.509281 65049.15798 17288.06832 27488.09448 20532.27438 22120.99086 34479.54996 31275.04479 10523.50261 39548.34821 20394.95304 26958.3684 17921.62151 68112.02148 18796.50854 24465.17166 12418.88184 28848.39805 16018.22226 Serine 26011.68351 9713.563573 31141.70345 16193.23088 13130.693 32331.74023 14153.535 27878.52742 14513.33421 20643.22749 13280.22441 20731.7101 20604.06618 23389.14986 46281.50578 38748.72183 23062.63343 25270.22152 42346.24527 31576.50075 18926.58559 35944.16677 42863.43306 40515.80581 45055.61503 37414.77496 31399.80783 33314.68901 146004.0197 60523.86921 33761.97242 111666.9063 65821.16372 78419.75089 48841.12343 25295.44717 11067.50139 24835.97858 35849.16896 27413.36825 45186.33442 22479.00998 26095.62478 26258.29766 18327.42029 17707.09673 27410.00637 42922.92063 34626.85118 28439.09967 37731.00141 27340.47119 50219.4676 25717.56457 27552.2198 77826.04415 25500.98401 82019.42274 37126.18316 40346.86166 30628.35689 41035.51613 70636.52052 83901.50551 25970.81122 60204.69829 26844.40559 42350.23964 36019.09646 62496.16493 49846.60377 37731.82596 23809.18069 55383.21158 44511.00757 N-methylalanine 10859.43965 7497.281036 11753.28112 10365.58106 7607.166272 11789.36172 5721.566775 14881.34646 10817.46793 6606.522257 6071.11509 14320.80081 11611.72102 22782.0149 22533.74716 13736.62049 7234.862352 19650.88743 24446.9662 15936.00932 9427.469089 26976.86005 29664.78775 22293.21004 20563.75491 28349.42218 19597.86845 29665.13293 82800.9875 35971.59489 21441.94676 54409.1163 39618.27446 21621.65742 36780.56639 20079.27477 7324.66919 13596.95211 12160.58421 8276.684918 21778.18533 13191.36638 8746.017326 14001.34898 9818.929341 12226.36562 17586.14286 18442.90099 7887.217238 13773.85162 12737.85554 22868.68744 39127.97014 28295.02458 23770.35021 31746.60373 16372.04768 36526.61452 21613.61306 18684.27606 19552.902 33984.14089 23023.28986 57968.54665 22975.21553 22088.49662 31954.20864 31154.32355 19922.78362 47508.07522 20853.54238 19956.17343 14144.06403 28393.62523 14923.08219 Succinic acid 1236.321343 942.8921062 947.9862445 857.7577723 992.8209691 1179.490454 1195.362488 776.0889482 891.894888 792.2684571 957.2621395 1136.320895 887.8418672 1168.83781 1791.762356 806.2941789 1652.991316 1000.825766 728.7023506 1279.698043 1274.995015 1151.714856 1137.047931 1233.130885 1654.686005 1118.189102 1535.781569 1535.662126 1909.603974 1697.030379 1176.085307 1586.152504 1544.572601 2164.548505 1046.142442 1963.990515 563.0976016 755.8305583 788.0480835 818.4017033 1715.254271 1245.457092 538.2083248 1053.506193 931.4810351 940.6243046 1154.688126 1290.870011 885.7419236 1215.266708 1662.320571 944.24251 1763.842739 1767.747681 1371.083453 1598.208174 917.4847323 1852.52096 1373.537909 2324.611799 1295.908514 1036.226019 1545.538997 2243.123089 1789.12619 678.8438683 1258.635906 1714.449627 1832.662587 1733.027607 1604.232038 1894.289143 1072.912958 1302.530341 468.2249745 Asparagine 1317.846897 625.8851711 787.6024277 640.1990283 318.2070839 517.1605265 658.5097286 664.5965756 137.8208375 1251.746415 484.6081895 776.4009961 937.7640206 746.9226926 2154.434907 1034.626855 500.82855 1613.755575 1068.716696 1585.642507 857.8699568 1495.328676 1440.055532 2212.187896 1501.584342 1372.740873 1742.086264 1151.397824 6266.261928 2524.10045 1245.815385 6427.633043 3740.92615 3356.235654 2690.473741 1274.579848 1025.577154 1128.485906 949.5456237 797.504112 1685.804675 1306.890988 963.0706751 982.1814347 854.4261815 748.9044096 1374.834614 1609.010139 921.8064466 1201.511524 1288.01648 1311.170605 2382.91767 1340.094983 758.8127184 3168.835082 1109.660991 2736.369673 1278.4808 3825.609932 1224.923526 2382.142067 2932.138617 2395.353796 983.4169373 3008.865663 1378.935727 1832.941155 1283.677117 3272.483792 921.2594557 2068.924633 1391.060656 4407.55265 975.3645117 MONOSACCHARIDES 7989440.266 8615244.676 4465835.576 5122525.705 4274764.189 9250156.737 5002296.367 8377459.337 4377421.153 7730759.255 4107385.206 5373992.3 6906087.485 32921142.84 9209845.678 11203424.77 8424433.157 16198501.75 8455759.374 11487050.39 5709436.465 11298176.46 13499050.52 9106756.998 15041465.61 16581369.83 8831727.468 12465653.72 20550944.15 11326277.39 13594504.29 22009417.29 20196876.91 15653947.89 21272547.73 11569837.18 3991285.473 7952118.003 6768901.27 4902180.191 11417281.35 9537760.499 6163750.664 7596865.843 3918043.133 8037748.371 7599795.532 11348265.04 8749592.004 7887379.029 8847707.357 11297473.89 21874092.7 9506583.978 19886076.55 14105644.92 7678367.392 20057497.24 12539773.33 12880209.4 9323252.606 17449260.34 10910910.52 13686733.19 33071644.36 7791812.256 10432858.93 8658148.601 14882699.8 16578760.52 9998337.501 26678954.51 8852726.35 16798283.59 6031009.882 Lactic acid 1878619.491 1221090.642 1165842.169 1017895.813 1225662.67 2328359.715 1382905.4 818627.8474 1298074.601 1538106.208 889938.0601 1132611.616 1297353.762 2418614.355 2653455.917 1828350.484 2176998.75 1741422.626 1037970.061 2016987.195 739960.6059 1905240.477 1641426.716 3832221.464 3286416.783 1716287.145 2654426.151 2454967.629 2965302.321 2635695.347 1813849.722 1318053.253 3144644.127 4396603.388 2103336.068 3348105.623 913283.0004 1366284.919 1152348.314 2212034.381 1126084.238 2140243.257 974150.5436 1949081.61 1589107.554 1088581.029 3378222.411 2181275.979 992466.3391 989833.8395 2033492.072 2248696.081 3410971.794 1220868.146 981423.6559 1740733.148 1824973.493 2046229.395 2617755.228 3073401.934 1613750.269 4054243.821 1916424.378 2849997.727 1803596.838 2180151.749 1027671.458 3084554.576 1560870.604 3546537.722 1739533.074 2340341.839 1683977.926 3944247.013 1123565.418 Hypoxanthine 4031.814988 3232.000017 1606.562287 3630.001487 3233.3802 4569.622423 1519.968531 1484.000008 5393.263623 5972.719329 978.981832 5009.752493 2905.999651 5854.056169 4355.018545 10920.99956 3065.903974 2276.999688 1605.000008 6486.205174 3355.474488 3819.001169 6856.173017 33186.73574 1242.056371 4013.043844 3207.000016 3210.933522 4128.318348 3223.932214 3798.208516 2880.493891 2815.095483 7014.997422 3244.487272 10025.85731 1219.970646 3507.295951 4846.195429 5946.834736 1823.910857 11409.8431 4562.000023 4850.951077 4629.30518 6672.513185 4585.1961 6899.860721 6287.671767 5797.00003 5213.105012 3195.4982 5113.893861 1924.996221 1791.99648 4560.205418 23929.35955 3136.998063 22209.9902 10751.85245 3415.000017 3217.000016 3820.591286 8149.000279 2962.107626 6358.283493 1636.127591 6547.043778 3854.573552 3618.443688 5840.961785 4441.378717 2896.593875 3531.363748 2574.069034 2-Aminobutanoic acid 11010.12639 7321.452378 11862.09083 10445.16915 7585.790252 11715.8539 5707.596031 15017.39535 10785.4974 6561.237447 5803.329349 14262.29407 11601.78473 22713.32955 22679.41555 13650.76815 7185.880035 19519.61392 24664.12404 15564.59791 9396.103643 26434.58012 29568.44652 21672.42911 20560.61681 28060.1158 19745.34603 29461.86284 82096.59784 36430.77631 21294.24344 55015.46862 39272.32935 21539.42258 36620.08087 8983.406009 7277.624122 13618.2885 12088.02401 8231.374791 21642.78081 13130.14843 8786.093118 13918.79804 9570.775932 11743.07327 17466.88481 17945.84147 7847.324905 13888.43034 12650.28564 23382.62111 38865.74394 28247.33812 23440.51821 31822.42475 16263.28532 36310.44751 21514.81426 17927.40782 18964.00396 34107.75952 22869.74984 58464.19902 22891.73219 22173.14511 31070.38194 30939.7688 19821.12336 46682.23819 20738.5327 19072.19625 14190.93369 27899.77251 14848.79822 Leucine 254732.2765 128285.5437 128408.8235 128392.8217 146543.2184 208442.6556 156226.4801 141390.0508 119786.2978 200908.5493 112566.8345 144581.6542 156132.9894 229444.1147 246016.2753 187026.5711 129080.7361 240399.3246 214705.6084 248110.6682 116798.9413 321577.5193 261565.0132 244575.3796 220810.4078 345271.6782 324518.4501 264609.8089 522401.358 284042.8173 291482.1841 374233.9804 370705.8318 320460.9049 374988.836 123939.6206 98577.02375 191729.9583 140926.0987 172885.9079 255261.3607 221052.4588 151464.5305 229516.9837 133926.697 144327.0189 259284.1014 277073.6306 156767.0818 196309.4821 199289.7815 227991.1375 336050.1747 225064.5384 203994.2195 373837.2053 254737.4877 322293.2275 375567.2332 286193.4069 336502.5402 394692.8002 271882.4366 281066.6639 336253.5429 195115.8663 278185.6826 360224.3079 265404.565 422837.4473 202926.2124 277648.7142 168175.5274 298917.8071 136453.0652 Mannitol 461508.3478 489117.6194 266595.9317 316460.298 265038.7196 524510.5242 289238.8947 481019.7356 267984.3268 457143.3924 251541.4748 337882.8659 393789.2588 2147604.532 528784.1742 647187.0184 492223.5058 892151.7804 398531.31 670426.7093 342906.5301 643116.6709 784443.0072 496603.4155 837360.4178 892567.2866 549867.7734 702183.5986 903208.2108 654772.1412 750848.6549 1064629.955 1041899.218 766665.9454 1138103.605 610445.3155 247813.3657 485879.3031 403023.774 287614.1024 443945.3228 542498.6896 363531.2854 433855.9533 83505.95308 464213.7102 398709.6732 637399.4136 519501.6167 467916.2357 507360.2431 639511.7093 1184392.076 546588.5391 1120600.028 790469.7411 489375.1146 1022521.077 701229.8611 744417.0352 439845.5092 931786.7066 600270.4286 506380.5372 2214729.888 456399.427 613056.9222 487201.7774 793397.9462 837839.3794 573188.1119 1456199.869 518006.9609 875905.4807 348813.6303 Itaconic acid 9933.748621 9075.400145 13546.60039 9987.711708 9590.081183 8134.388349 8719.559756 10748.32665 10220.34068 13013.29265 8182.473612 7533.156602 9169.447216 8825.853275 10583.36874 10050.70132 14029.00178 8954.070742 9927.801951 14412.38216 9628.84895 9438.112079 10588.6316 15906.16346 9541.270464 12336.38521 11390.37982 9793.806512 13283.04985 9239.613252 10739.01942 13482.67792 12025.47659 11649.82654 12701.61127 18636.86683 10878.27007 9597.741164 8801.295646 9212.368617 12578.46055 15640.90939 8661.783603 9694.380778 12251.54227 10972.41241 8871.065575 10270.04273 8615.744382 9445.769041 9903.560491 9534.146471 11126.27575 7712.185703 10658.34447 8111.67585 11895.7467 10053.30132 11188.44655 15691.60068 8023.517096 12023.39834 12296.63949 10215.98331 10254.40863 10843.53607 10596.24526 9202.444319 13312.3953 10032.59958 9061.320726 11183.22727 8487.201408 14209.62337 10855.80277 Pyruvic acid 37305.91714 21134.96288 31083.12632 29419.19231 14289.99639 58667.56709 20369.90904 25719.3824 23747.96337 20340.97198 36868.22508 22809.6922 20178.99688 41608.92505 57861.61609 31802.59734 41414.96242 52367.48101 36818.21005 36790.58997 17614.68851 18494.99997 35795.46445 35953.57722 81996.70003 51504.05388 63564.07157 85798.40874 71064.53529 70989.88739 49553.28371 153608.5829 94024.00952 97518.61813 88261.79589 88375.62052 22915.34159 25076.75503 26761.85551 37504.19617 52552.79051 35449.525 16311.37644 36393.57619 20177.54899 23839.99442 54848.2698 42186.17904 31498.33636 12935.18224 45065.72215 49091.54854 73820.68541 47552.97413 32381.07208 33164.63637 9248.208394 63028.10857 34597.63761 93217.57137 57557.01182 108780.3023 80206.14691 96573.18023 50041.0765 23854.67173 25134.275 102316.8909 63762.6721 76584.66811 81779.36436 106108.3719 45898.55593 84546.33398 41750.08302 Cholesterol 193854.706 186205.7912 201024.2581 141320.5051 155268.4096 164598.2447 130656.0763 150337.275 123691.3951 106726.9485 162581.1274 213084.6873 138033.7537 208748.8264 163649.0874 145173.8568 174300.1192 155097.3283 148192.2315 208231.1163 138697.9291 233300.2691 237769.8489 216195.9462 123183.2236 170992.4345 123427.5935 157056.5946 204269.3491 178666.3438 179567.3154 169384.8921 190495.759 177732.0195 219779.7071 182149.1386 122863.17 148395.1951 150879.3795 88160.68988 156603.4234 181840.0302 188638.0039 161412.5781 158688.8494 163434.1786 164427.4443 194110.8076 118719.0062 160424.457 221857.7223 196212.6989 170308.0707 228686.1987 203063.7922 201626.9754 170874.5869 263629.3475 158379.1299 226460.285 163734.6183 137833.974 157780.3246 179616.4541 168443.4133 131152.5017 163291.1135 249870.32 163312.2517 201404.3998 225982.4905 216846.5267 190045.1343 211955.2879 164564.7289 Malonic acid 155490.7791 104226.7404 85569.35374 100892.9544 82302.28463 154381.4311 134622.6833 144283.3658 112020.6287 144438.9109 104494.0259 91979.36056 120769.8877 126238.7349 213989.5676 131324.3704 139258.2391 202293.0911 226165.1787 205183.3817 92141.37859 161543.742 246780.1104 190233.7073 235455.1694 245107.5357 218973.7147 230305.2321 410676.5457 179439.5757 136397.7919 583555.3247 311476.9606 255604.3592 318005.383 242434.3256 78086.28952 138790.8318 160044.6622 131068.6024 287506.6825 181180.5407 101926.5462 111110.0343 101152.4794 97561.83291 136869.6095 190585.0316 168809.665 143381.971 144427.3644 157801.3821 367745.1113 233563.9805 93234.95616 215468.1617 229734.4152 356178.357 161939.2237 139515.968 260850.0282 274166.7446 225265.2231 278782.7868 184296.8453 148351.5568 232323.3014 168333.1034 223350.124 276819.7915 291783.3634 288356.2249 191128.7833 297117.3615 150144.1957 3-methyl-2-oxobutanoic acid 8600.99068 7454.824476 8627.997989 6377.751718 6619.976615 10479.49001 8545.25701 8952.018128 7570.559871 9154.895429 7808.500678 8271.253429 10753.29548 9290.238925 12108.06385 10924.15938 9065.971478 11280.05896 6955.88174 10869.53665 8364.259079 14677.05482 11279.62506 10586.53381 12100.19322 13209.49625 11111.2278 12618.46188 13696.8501 12520.34745 8987.818197 11934.3646 13090.22792 16694.68417 13636.96035 10436.5636 8495.12098 10104.27414 7101.237259 8228.189781 12421.07178 10852.53499 7211.878934 9938.707317 7331.899771 7018.955985 11579.55148 10308.34243 10543.65397 10321.0583 9379.25454 9302.435093 15843.70121 10719.26215 9615.909963 13127.47401 8370.97955 13065.88608 10589.50054 15384.40151 10144.78332 11897.31587 14404.8828 13319.84797 11356.26004 10720.11842 12288.12745 13192.52057 13630.54863 13187.72884 9392.115949 12484.9705 7218.752273 13709.746 9430.205814 Glutamic acid 62221.34657 40055.99797 48114.89314 35805.31542 42571.48397 70631.13976 51421.05064 45646.78318 39139.65646 43799.16242 43336.38298 43613.02321 43865.06944 49180.8114 51287.74341 47422.84647 42881.54343 43867.68037 48570.62161 64278.44291 34550.16314 68456.51814 47177.66496 75741.24403 49277.48166 50949.71136 57775.1162 44720.25889 70838.60394 78885.48346 56244.95241 74293.45761 49018.96838 61049.70116 61437.48475 16572.95249 29849.04739 44457.23473 50045.20758 49921.32921 56417.68345 46357.56408 35382.41017 71028.12102 33051.20598 40893.34825 60742.54404 60209.04294 37239.33131 44877.10344 53152.62209 60242.93557 43161.11198 52911.0974 42905.52221 76401.06752 58326.44119 68590.91844 57574.46422 67642.28113 55740.25539 56491.25386 62768.42451 81191.22507 52450.81909 78351.86092 50251.21946 67643.74456 56396.45271 90793.8446 60066.59984 45658.86048 50656.96277 61709.14322 45825.84583 alpha tocophereol 12443.20878 22633.66921 18947.75003 14149.29456 13377.48378 18600.71385 10100.76041 16966.7948 12781.47222 11525.73056 12521.37819 16911.29775 13181.56107 16497.8759 18991.18172 14041.41428 14190.61777 11907.7045 20114.81963 19458.74478 13376.02644 23028.95004 21571.51338 23369.93169 15302.40729 18982.22299 18298.59665 13896.97293 27646.42521 18557.57267 20283.26183 21224.97684 23228.68012 20498.99811 24855.0813 17227.06822 14010.46634 14814.09891 15822.00687 10650.19185 16525.39995 16654.54119 19038.60229 15201.93066 18734.93843 16595.46062 15044.1587 19680.30511 13655.01484 16833.91599 20945.33164 17764.93947 20602.23696 19867.25078 21843.26983 18657.43136 15507.05796 24092.31287 15617.90998 20158.28286 16365.48638 17491.0419 22098.47624 22999.69684 14816.45125 10549.07848 16551.81388 30318.50569 20325.69531 17433.93961 19927.98023 17487.72046 21001.13409 22600.2281 14116.73635 Citramalic acid 4402.13815 3387.827659 3719.037567 3698.711719 3660.152137 4934.791862 5358.714132 4137.760959 3618.635089 4811.976746 4246.235714 3316.880678 4397.573902 5768.603994 7374.652673 4696.550493 4653.606789 4720.059077 5192.89049 6111.584664 3538.011848 5962.020805 8083.705107 5072.839434 6310.47449 7115.648528 7472.378696 6426.452816 10252.45843 7439.889857 5002.855639 15590.97686 8808.059565 7831.168271 8396.585586 6835.735273 2205.609893 5217.888795 4755.190619 4626.24255 6187.671416 6318.218356 4001.322359 4026.338211 3812.556822 4493.587908 4643.573389 6287.06348 4131.161441 4811.430975 4058.454991 5633.775253 7908.771926 6722.427015 5801.219963 7758.759728 5559.165704 8418.250189 5561.206805 5325.451835 6139.24048 9511.517212 7556.744472 8107.120382 6540.385757 5983.499165 5370.085797 7144.70074 7457.626527 9411.85403 9277.029337 7184.278761 5136.607671 8274.294799 4087.933133 Arachidonic acid 6017.839748 5187.151092 6303.018639 5865.015568 7017.694964 6242.065347 5305.880708 5628.027485 6212.384703 6436.109126 5617.226356 7634.141116 5238.055302 7635.723191 6871.718636 7333.995579 5403.58482 6854.53288 7523.574767 6417.150519 7476.148172 5340.21384 7862.409071 7007.112268 7200.079439 8414.577379 5561.305343 6383.967816 7227.581688 6307.668655 6610.236677 7276.185574 6567.212045 7537.400773 6631.381632 6922.467746 6166.349211 5966.7167 6333.465128 5328.291527 7405.323529 8054.596265 5105.072339 5897.362201 5272.097786 6647.833777 6031.951435 7062.300978 6238.385115 6011.698276 7085.416179 7156.130328 7225.190023 5925.553612 9224.418205 6730.479405 7800.276842 9099.897696 8522.774357 6515.748388 5535.224611 6076.682291 7951.000178 7368.855175 8592.309332 6096.389189 6057.015491 7394.390781 8458.860814 7197.7086 4892.773868 7453.02499 7278.061026 7996.599697 5758.840743 myo-inositol 9738.079312 10010.81195 5291.970231 7563.052824 6345.182966 7381.607736 9954.678466 9861.111979 5167.284008 7186.265354 4939.779017 8351.674855 8697.895775 10776.8929 13918.07859 17925.06667 8690.880265 9464.138607 11372.4814 17273.50043 7271.87315 18386.17666 18175.21903 26239.97787 20939.33337 15936.18283 11673.6296 14848.7891 27648.15236 19845.55798 19123.0053 31360.42982 29977.28375 21858.31026 30010.10324 18856.2411 5281.689517 11119.21717 9158.002551 8025.831612 14236.20253 13986.17607 7121.542598 13209.47069 6433.456694 7705.759749 10905.69449 12898.76111 9469.285815 8036.292458 11655.83866 17693.7247 18373.14237 13594.63085 20981.40549 17603.73249 13436.28132 31911.50185 15800.57527 30962.38865 9614.462995 16165.09311 14000.14335 15409.6418 25379.88784 12326.06303 9240.210718 14382.06335 24755.17958 41232.12952 16590.81207 18298.9527 10282.26614 21635.9815 8844.783648 2-ketoisocaproic acid 5821.372378 5091.433156 6108.78691 4657.23189 4305.307616 8356.130671 7987.148782 5886.899242 4985.093969 7649.893669 4969.381788 4408.198871 8226.554763 7524.127293 7590.648142 8830.548749 4594.086912 12592.52107 7230.55814 9058.909839 4858.383345 10716.59304 8159.611213 11820.79774 9351.062303 13716.3255 11432.50506 9703.057685 15378.80462 11852.7034 10036.22636 12032.95912 11365.12884 14163.14339 14300.63806 14885.50931 4541.305954 6002.304654 4375.266644 7235.861297 8825.20061 8687.208226 6994.290843 7111.497728 4019.398139 5698.310968 10223.50934 9527.250275 7678.487944 8336.66916 6867.405349 6828.511649 17791.82111 8701.021297 7055.57749 13335.40511 7451.05288 13446.73136 13218.83871 11685.46975 13158.63276 13472.78226 10718.48506 14230.41264 11442.03764 7560.6042 10690.30473 14594.08545 8509.650825 12207.77034 5934.889722 12615.58679 6216.973116 11206.6357 5356.720216 Acetoacetate 8811.679876 7421.817168 8605.530024 6502.799831 7181.305867 10763.60129 8621.060558 8602.010601 7746.612106 8791.325358 7715.921219 7164.618521 10554.77688 9851.34715 11950.74249 11013.18789 9489.533988 11733.99989 6406.986472 11429.46113 8584.32836 13317.68258 11248.66522 9939.517464 12467.15292 12790.64339 11008.70291 12961.99783 13684.09061 12205.1825 8888.578024 11929.85215 12630.59637 15208.6693 13717.27985 11051.40625 8699.956788 10189.30782 6729.20892 8081.460538 11624.3399 11104.52462 7364.623363 9992.644798 7295.83687 7497.417611 11698.74574 10112.25543 10986.50934 10212.07666 9545.082945 9654.725722 14711.26816 10823.45245 9618.639727 12110.73545 8488.609101 13592.79191 9990.708041 15847.85229 9658.32501 11967.38177 14340.55785 12584.09707 11694.21726 10744.00852 11418.41757 13049.72467 13139.60115 13178.769 9149.690899 12809.30162 6814.770475 13781.9286 9488.705753 Glycine 64313.28715 18826.43502 68724.1296 28542.9916 28062.96718 64021.46989 34202.76099 53980.24808 30797.91412 51906.63005 23900.79221 37542.39893 31441.66175 34466.91338 53257.39378 71817.42849 33006.55026 25702.68382 39747.13718 44070.13312 24853.09646 61464.82222 57542.81698 82798.90615 46848.28443 36682.11124 32241.69723 36748.77364 326958.4148 69613.81627 39339.32024 184793.998 84760.09917 115309.5721 49049.10537 1377.362911 19612.85956 30821.38563 79452.43113 44730.57156 55829.57312 46839.34196 39915.97589 47877.13742 26923.17957 25257.93671 57383.4104 53305.1472 62670.7128 47513.31047 63646.63897 46061.11059 62587.2087 43326.46773 31649.64134 174236.7162 36593.35969 173652.0407 40670.98454 68040.23099 34281.07695 48892.23566 96229.23751 107104.8355 25420.47414 114624.5955 48517.46575 56705.72955 58667.6608 135415.888 98568.49072 52534.32597 30373.13613 90917.51412 89438.23437 Valine 319385.4032 188446.6911 159112.4669 179807.5214 154433.4923 258668.8398 178226.7331 199634.8022 138021.7887 223037.7327 127542.1935 211378.0774 225290.0589 322819.125 327023.9721 247710.4122 158830.7822 275299.6628 294670.4779 261532.2461 153395.0609 407469.8102 384850.0368 265077.3005 290836.7624 382283.7739 345702.4497 372394.3578 837334.6941 407838.9587 327089.0667 517327.526 519508.6523 439491.4909 505907.7677 2201.25069 114842.0928 229681.7661 156213.1888 204882.9411 303623.2578 271137.2644 150926.6767 273512.6269 138764.5865 186346.5306 292320.551 347472.4723 232036.0692 237161.7419 259242.8506 262591.1022 453193.3194 309764.3036 246027.8813 557166.5563 246422.2118 412726.9389 445959.7223 291328.0075 374332.8616 484900.814 315445.6901 382453.2963 441735.3856 225847.6389 346561.1422 418385.2956 299135.2487 557966.7577 268081.487 348981.1884 209767.2133 350066.1179 174697.7482 Proline 316364.299 120084.6254 103807.3203 76514.79582 232882.6821 226443.8996 149135.9723 141174.4768 86303.56719 142003.9814 100576.5619 125177.1964 137795.6001 154705.897 139974.9722 256230.1542 119480.8748 152224.3537 147562.4178 255589.2327 51781.91449 240243.3892 180713.3563 180369.7404 217977.4319 218794.6508 197362.1771 168949.0387 529045.3697 196768.0141 156656.3593 451617.3704 350688.4222 234702.4637 273408.8908 188065.5908 59738.7002 154448.3187 102658.2568 178012.4144 263635.5579 139211.7241 92942.2096 163372.7237 101129.0864 86939.09084 164006.619 191451.5461 121457.4447 210637.9366 132541.6588 201772.3778 240750.5614 265037.6387 140573.4829 327031.6104 303121.2853 347972.9204 194077.5954 530491.6651 185238.8229 280716.9996 132795.9763 209185.039 190615.8372 153802.138 227639.7732 287157.5535 163941.3521 462901.4577 186808.3519 254815.6525 105677.5638 228981.8917 71906.0248 Tyrosine 113637.5413 49156.33167 48151.97282 65461.57636 51331.44358 95582.12822 43127.44121 59299.91165 40471.84001 72550.59967 43568.00055 74944.06567 59336.74722 132800.4872 87523.19568 95967.88365 62701.06443 115497.3293 92409.33675 84162.59885 40146.89844 98042.7889 114076.0461 95702.12494 149426.7971 103130.4407 71089.70598 139325.7646 237732.7369 108371.1171 112387.7008 219418.1111 155335.5073 145454.5202 161571.9727 10081.7754 38954.94883 77620.51721 51568.85714 78641.26832 95237.03997 113627.7923 49059.68038 94066.70446 35743.92004 78642.9322 92631.98039 100256.7087 61673.82967 84119.02968 99717.27086 81339.57508 158031.1582 85224.5981 78905.11382 147716.4137 69994.35376 157659.3006 114879.8515 131860.4855 94309.71891 155706.5589 121089.7715 111315.8168 146207.7934 85471.83869 88374.22562 132838.5217 106984.1035 125748.1997 99189.49082 151345.9654 95384.03675 125451.0643 68430.95881 Uric acid 89706.30534 112875.5273 28806.51101 58341.16895 49711.38617 65151.55312 81950.87305 81023.35952 93557.48268 79051.48244 49872.10032 79746.00044 67103.7456 72280.44924 98900.71312 78284.03345 37775.86749 91427.06207 219111.7388 145242.1839 33151.7773 84823.84432 119503.7555 172536.5978 101096.9734 200972.5402 163971.5265 80714.52344 307907.762 131025.1225 133161.081 389859.3633 227772.7005 135887.922 177536.5106 107879.4176 47109.75327 87306.5313 58674.28296 80640.85936 129340.3903 256024.7908 63819.45454 104457.1555 73790.51244 60216.57856 143122.1736 88138.62716 53772.06114 68850.21672 84442.6674 95636.92 130175.7352 66925.55226 114674.4416 82834.78757 85873.46132 175546.1219 171901.9983 250353.9052 111362.9362 252044.3317 110802.4767 139273.02 183540.3852 81517.78946 114361.6441 160935.2165 125724.9925 173819.6281 126409.8051 206999.1248 72978.69784 218454.8102 37214.18636 Threonine 31701.66601 17668.62255 31583.75629 24447.77013 21656.98647 25821.63566 18129.37525 34164.20905 18841.42778 23773.87349 17450.78295 25340.85664 24525.99431 25313.85097 40046.45107 26067.58242 19076.95525 23965.75465 37069.74938 38367.64044 20379.24013 36391.29269 37121.84346 46336.739 48776.76245 34565.52497 42246.17905 44880.00697 96742.06913 47825.33097 45336.48545 77849.81694 75951.65188 61630.24951 49146.60458 28099.48073 13697.51737 29584.29192 24557.77297 22287.97982 50960.12601 35561.4905 20687.02826 32839.5813 19468.57684 18617.36642 32685.2526 33114.59766 31784.71883 30134.63577 33312.71426 30483.71999 55114.57163 31556.72339 30659.43432 54704.97517 33349.75669 69902.86802 37616.38629 76134.24728 36436.62217 58518.66007 62237.69201 60638.03987 26550.19107 43591.40632 34564.51442 35119.54127 30202.58248 62090.82803 35054.69075 37623.35995 25158.97812 53881.38338 30127.94329 Isoleucine 37496.30984 21823.4838 12318.56623 21244.47535 26771.07828 25221.54736 22320.76942 21965.33804 22686.21262 35842.23519 19069.55688 22276.56427 18917.19059 36785.47684 34027.97218 24415.60316 24227.93155 37075.53153 34147.57854 38830.41681 22303.19998 32996.37668 40582.98677 36165.17058 33200.01128 53372.27443 42556.91973 39705.73757 47031.39334 28737.68581 49627.94477 33484.31983 44935.73935 27931.66224 60875.01564 75587.26696 18835.73391 29790.87129 22862.94854 26884.56451 35006.42043 36860.5666 17096.10975 14678.81497 18406.50542 23256.73097 34327.91498 41466.21251 25475.19461 23538.48789 32189.99352 27023.59094 47235.3143 28098.58316 29327.22986 36584.12375 27947.39876 36240.34035 55894.46857 44973.3754 53666.45191 53628.3375 27788.64543 41377.89868 62635.38127 17326.77139 38363.74299 33171.7538 40966.39603 53621.9368 25593.0654 47485.79442 23635.43658 41761.22876 14767.31683 Tryptophan 30834.63536 31389.09194 21604.54366 32045.44207 35471.25228 62623.36602 34267.16548 36889.5675 34870.48078 70388.27937 27562.70809 46442.04467 29510.0457 74249.56043 62766.49104 74625.72622 31422.18769 73137.9991 64507.25875 62496.91767 33173.19411 68376.83089 65040.86223 66050.67493 53328.37046 74506.45576 69778.55462 94850.26411 168094.8369 54566.51245 65269.50743 105339.4629 95392.29781 101829.672 105926.9994 505.8617637 22234.43163 40744.92956 33623.32275 47085.43107 67355.00866 76693.09406 51014.32852 68397.00631 27237.48859 49952.17808 66925.76758 94363.11972 33641.49455 46207.04815 59821.25398 45916.30454 97069.87822 58486.63123 46887.74781 107215.5132 47159.86693 110125.795 72887.01764 115086.9431 65937.30397 88543.28915 97304.78559 87410.74491 72687.9005 56317.51745 79930.44912 107398.1138 80857.39347 81933.43941 70524.77415 112452.0914 58988.07971 98886.23271 39538.12777 Methionine 5186.624922 3219.234356 4975.057966 3180.180928 2952.693359 5866.15486 4215.995823 4124.169587 3755.851423 5263.989446 3882.012912 4384.174016 4644.300657 4803.468127 6942.42728 6746.085603 3163.377833 6683.116714 10445.50091 7294.564024 2686.329636 10075.22248 7554.819627 6308.839549 7000.731454 6981.431314 8506.789907 7617.031089 25595.56541 8441.193443 8210.265456 18072.68416 13105.06194 14656.94059 9773.129819 5991.022532 2371.990077 5243.363172 4144.960065 6492.7996 7305.816577 6818.907853 4942.865857 7176.289045 3634.649203 4480.29897 8864.022826 8094.260035 3937.208637 5405.487591 6598.755591 6456.682785 9849.044575 6786.403454 5083.782071 13373.65194 6087.5069 12673.76868 7678.627231 12775.25575 6719.621767 11406.61358 10871.29182 10442.12677 5905.487008 9310.420695 7486.569214 11162.94571 7994.522938 14544.66516 7406.707338 8073.955408 6502.360739 8004.384098 7095.756898 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Retention time (min) units 2 5 8 12 15 19 21 23 25 27 28 30 32 33 34 35 36 39 40 43 44 46 47 48 49 50 53 54 56 57 60 62 64 65 70 71 C12A C15B C19B C21B C23A C25B C27A C28A C2A C30B C32B C33A C34B C35B C36A C39A C40B C42A C43A C44B C46B C47A C48A C49A C50B C53A C54A C56B C57A C5A C60A C62B C64B C65A C67B C68A C70A C71B C8A 3-Hydroxybutyric acid 8.245 peak area 8419.277507 7038.536741 4891.088151 5832.486025 6421.645943 7555.395371 35226.658 16379.78421 16963.73027 4223.746353 5978.213469 12797.54091 7530.505078 30240.20003 12286.54288 15996.42713 11442.80189 18232.59139 17559.1611 7191.539201 13874.82285 10419.41123 12483.87539 14545.11493 14918.63404 9995.540829 11758.26929 18873.03611 14137.26424 10494.61594 15615.97569 9137.592595 12525.44856 16961.54285 17182.69736 18643.24361 6274.983902 12546.45782 4267.137134 8431.705659 8649.877574 5823.081987 12722.3103 6209.464042 10909.21799 6163.2336 8698.786233 23359.55697 10023.62852 20118.44326 8566.822371 148691.3694 25786.50491 50817.76676 75065.50131 12426.4324 59389.16999 82689.21699 8434.860599 16548.2059 12634.41789 40647.80745 17274.00255 68546.87059 21073.71157 58618.7432 48585.48911 9980.263717 52518.84683 38706.87822 7955.644114 13015.74854 10793.51156 11162.7855 9139.420993 Palmitoleic acid 18.673 peak area 1605.327171 1454.361795 1603.472439 2828.924658 1856.877483 1873.110374 1219.167545 1181.114829 1788.770563 413.6238107 1386.363258 2511.545285 583.2608323 2985.745713 1695.474101 3728.098397 2884.362154 2975.198777 928.4019113 460.76349 1062.161967 846.638361 1691.804686 3160.204815 1724.969808 2260.731822 1325.644427 2710.230607 2548.038349 2506.445923 2479.901277 4045.946296 3881.082545 3681.035823 1188.813513 3555.233956 2625.615887 1361.586334 1517.055662 1926.647031 3339.591566 4106.494107 875.5173648 1141.982152 906.1253065 2436.674112 831.6428935 1919.75826 1055.345364 3742.443587 2120.180684 3568.922246 3717.997965 3148.069303 3475.950403 2408.780182 7416.359796 15184.07916 1927.631986 4736.669644 1492.731122 2046.209784 2678.01477 4481.928807 3153.091129 4117.374649 2545.158911 5389.329253 4909.369028 3269.319354 2245.141058 3768.840265 2009.712943 2771.887738 1902.799194 2-Hydroxy-3-methylbutyric acid 8.295 peak area 8115.167302 10432.32679 4380.385786 7764.26587 7883.858952 7065.215457 17656.76142 4975.555894 7509.397938 12256.46773 4613.643411 7053.13461 7558.217243 3342.329372 8703.681197 7004.993941 7073.958932 12149.01944 8506.363777 6101.388168 6383.454223 10930.3032 14960.7459 19366.0737 10431.86087 28238.40481 8372.998117 7281.987277 13739.88164 6620.29682 13837.5759 13383.14839 12574.47282 8612.743192 13133.32723 13882.44497 4305.603575 7109.492674 3437.346134 6440.806748 11876.83428 11046.55825 6165.44413 7965.449028 6910.172241 3374.41787 32414.61164 17994.88357 20332.87676 4937.784409 6079.070796 10711.16004 26856.37509 22727.5246 4131.379256 8635.048744 47848.78637 21198.41421 17416.69336 23412.74351 45888.19749 25447.25497 7388.901919 10618.02508 16868.01325 5070.413563 17781.09019 17536.47851 8261.532909 17727.68373 5009.559246 24435.26234 4852.300083 10835.09025 5050.962062 Linoleic acid 20.393 peak area 12121.24215 6367.787253 12913.23707 16568.19363 7237.168622 9931.388102 4790.761625 9665.113811 11147.39403 5854.745776 5796.907642 19287.76964 4547.525935 29210.11961 8895.763717 28987.44332 32142.86055 26117.70353 12828.53256 6222.748692 7352.500199 8018.008637 19127.67303 22346.38451 11198.2767 13718.02129 9992.523729 30319.751 21805.64223 14975.42026 29925.71569 20717.47868 20992.97771 17005.63311 16792.35368 24395.24857 10329.15594 14239.72879 8589.89326 14311.08988 26980.58986 15117.3471 10701.29072 8919.118592 10346.26417 11865.18559 11621.86469 30765.51172 5428.975545 18252.93921 14199.8328 37874.26119 34008.03081 20919.57882 27390.70026 19614.70035 49849.89327 97480.36794 7980.209175 24067.01211 5207.425934 25495.85977 15197.26841 33928.23746 18178.00953 30229.24986 15071.35226 25716.71814 35880.80236 40711.83636 18753.37097 15290.24384 14542.01129 22997.95867 11909.78217 Lactamide 7.94 peak area 57674.04427 49468.55466 39159.43775 27323.48523 26042.30489 32984.65116 64110.24434 47557.50435 40197.16294 36915.20822 35164.10411 29372.41993 57135.80189 63682.54245 53526.55513 45986.63496 30489.83948 39014.88341 63850.05896 48573.54176 37644.81649 54288.92105 37596.98979 45987.50874 52358.11834 37685.48782 76349.43847 54208.88968 72913.4563 57725.65365 39867.07222 62688.00948 55168.3523 123964.3004 45844.52405 17589.26309 30876.07241 36759.37478 51628.60145 61984.08477 39640.97881 31184.40905 43553.32335 88042.09379 52560.35243 37015.69258 45593.1141 48600.97076 26898.1145 83333.53177 26762.11624 219472.238 61269.97563 103277.7006 105226.5704 78224.08893 112566.1403 110770.0503 27862.28982 75709.85593 58277.52973 95425.49986 49109.587 158925.5333 41920.81779 122636.8003 92037.96366 49571.15968 100793.8273 89556.20398 55587.75999 48903.73564 40645.68856 26957.44341 58765.64075 Oleic acid 20.4 peak area 26533.84887 13336.18248 28277.07712 41506.70237 22378.95987 21777.35656 10444.42358 20550.35771 25538.70303 14823.82577 14734.40564 44423.74171 10888.64721 67669.96875 23258.85453 67595.61946 74505.80691 66198.31703 30336.23715 16985.35864 17370.94079 21036.69439 44254.93296 57716.47507 28408.81303 36925.9177 22537.36899 75575.68353 47615.94576 37312.02089 72956.31713 46599.10387 44421.06764 39061.86874 38421.44254 58561.39554 27925.63991 34888.91062 19773.9462 29023.24415 62631.97857 34973.58582 25343.19253 18348.78687 25033.50899 33502.04839 25557.60297 69435.39958 12935.35379 52385.19408 36040.79871 94426.46305 83094.11268 49065.4483 65808.06924 41148.86726 119230.1988 228925.9965 21232.33177 60060.20393 12712.7424 48354.0973 34207.03373 79111.75378 37771.00651 74156.56417 34832.59565 60235.40883 77881.81468 98117.32555 44702.07362 39252.87528 32764.91342 50790.08859 31879.61607 Palmitic acid 18.854 peak area 60640.246 39421.21234 43824.05086 62770.06902 41224.99859 49237.03688 39281.49301 48563.99488 41791.00197 43260.9812 30250.18326 57549.00272 35616.99886 100845.8909 41720.50968 83722.00393 81070.10383 84810.99647 48199.53101 41058.50766 36703.56603 40947.00897 61688.00291 77056.91055 41550.68996 51041.122 48986.57952 94550.77967 65327.25561 50446.94658 93226.79176 73229.5758 80494.79703 64817.52972 52531.00213 68600.51007 43467.95299 51225.67704 39517.99865 48953.98178 67323.97889 72628.51191 43844.67284 43046.12873 49728.29547 46184.00217 46483.16731 85694.15292 40010.00189 73107.70747 73769.24827 89995.9195 87617.96404 69839.9173 104490.8762 70092.80934 100700.2351 204221.0096 47160.00223 95238.21181 44474.7481 88339.92098 57094.8388 100580.086 80561.0038 66448.65489 74357.99685 96963.48451 87082.24673 143360.6928 61796.00292 64878.03001 59182.68847 75370.9946 40513.03387 Threitol 12.889 peak area 3445.448246 2611.236836 1653.004285 2197.525527 1454.857455 3799.357206 2466.09874 1523.514729 2268.475854 2930.73264 2898.285128 2104.877128 2037.770338 2258.23517 4005.009075 3255.124548 3491.154709 3439.67961 2599.846863 2410.778435 1437.934761 3575.871672 3532.823419 4282.039554 4585.976773 2510.045763 4274.8163 2843.04077 4745.821133 3929.073461 3931.802976 4193.570068 5087.513341 3437.724061 3935.169783 3843.296937 2102.340611 2368.593431 3071.568534 2598.426542 3473.581475 3304.315849 2428.346519 3302.149795 2235.139633 1997.622242 3140.214173 3237.277969 3025.022334 3253.864445 3318.097664 6410.277506 3887.235585 3483.601447 2751.348775 3854.166921 3731.315893 7464.197364 2357.362353 7638.220327 5327.904769 6291.446826 3460.366735 2505.969955 6697.447337 3463.28648 3875.89413 3127.977437 3098.16352 8123.206264 4227.567046 4477.257275 3195.129052 3877.540689 1703.478296 Trans-aconitic acid 15.721 peak area 2779.666026 1127.432821 1752.840134 1394.75732 1795.107018 2930.771637 2788.506673 1941.247367 1472.924301 3448.760062 1655.226774 2163.720138 2991.14518 1993.898944 3530.976194 2220.281886 1817.700206 2136.236378 1852.373496 3741.640218 1472.814579 2142.613804 2560.2775 4458.626301 2587.665111 2965.45536 2732.158039 2746.675771 3595.067681 2846.736982 2435.046728 4388.758871 3542.895726 5549.099861 3599.020207 3237.591629 1800.945394 1638.559546 2158.060349 2623.343387 2302.984688 5019.050496 1326.541372 2367.717082 2556.840276 1422.3553 3487.281607 2537.994481 1925.169711 2043.037457 3319.299329 2982.259742 3090.967018 1912.936632 1585.168569 2001.191264 3859.126357 2885.085105 5571.764215 11640.87011 2784.397901 5059.619988 3091.354011 9356.255782 2350.609288 4142.551569 1581.834826 4778.21265 3537.195429 9611.877318 3020.928369 4862.60617 2571.855688 5283.450135 1622.830101 Stearic acid 20.675 peak area 36744.7084 19950.09777 25574.62012 22432.76226 20462.32984 28893.91251 21285.68316 26613.31332 21230.37731 23781.85655 17321.04066 28727.32095 29538.52522 35421.58759 25067.10987 35259.35795 31711.13484 34873.33365 24496.73865 21993.22663 17370.5118 27454.87972 29911.7181 31131.57203 19284.27566 16269.65115 20979.736 43741.05452 31309.50106 25832.77273 33601.96102 27922.40625 28070.31038 28395.2205 26156.34744 27786.71638 19260.18182 27326.60665 21096.88987 24258.50264 27045.13734 29295.90402 25365.46746 30447.28975 25554.1181 21234.69265 30033.35417 46262.50437 21289.37647 35209.85194 39599.7065 34510.41263 35706.41486 36158.04022 41302.63443 49242.74956 32143.33922 50140.38471 23975.69878 33887.22962 21657.80976 43397.90492 33975.31041 36167.49349 32491.83596 33475.63648 22310.77727 38458.69199 37229.75145 71382.61416 27191.9562 25819.95213 26032.88018 34396.98024 23031.12418 Lysine 16.9 peak area 3658.594016 895.3862531 1707.773281 1812.830717 618.3263035 2242.891564 1001.397064 953.7116635 841.2298108 926.6652056 595.4334678 947.000675 1421.343401 2223.734877 5551.748837 3564.956127 1053.46578 3841.98286 2952.634484 4331.460179 692.0001096 4590.351415 3349.529323 2725.272185 5556.851689 2498.308659 2689.497459 4681.170743 20727.85962 8148.115003 5492.178795 16705.19776 9336.512897 7298.240285 8164.200568 2595.448047 1065.106942 2470.724383 1845.088222 727.3626558 1281.384614 2322.502037 764.1324088 2171.242178 776.4077594 1076.500036 1784.353961 2570.337312 1992.9997 2323.33912 2452.115307 5717.393041 4219.627148 4889.999948 3979.793141 8381.537218 1726.344313 11614.93678 6007.217774 4426.878385 2306.622311 4907.730786 4860.586157 7004.031529 5186.603089 5119.280148 2440.668685 5650.779616 3333.530841 5968.742101 3581.68963 3609.59273 2664.59584 5656.55346 1584.168638 Beta-alanine 14.369 peak area 17453.09234 8021.299039 12505.21986 7374.574553 6728.755692 14904.75258 13891.28022 10336.36464 6432.215686 9715.124145 8018.422163 11571.52448 9436.41524 10770.62781 20053.32648 14290.48833 11618.44036 15608.27175 23104.70928 20440.2879 7101.178226 33204.89612 19870.31605 22213.05891 17951.40371 19557.89033 21332.85579 20226.47557 116297.3578 28946.87427 19502.07938 51931.20625 37408.15995 42872.23669 33787.10619 16771.34441 5419.290084 12014.71111 10021.74812 11519.52002 16163.5651 14816.9589 16421.6534 20232.82566 8232.20778 11866.21263 22585.56189 22707.85546 10443.9034 14126.91894 14423.75487 17544.85064 27625.16482 21825.20406 13725.23203 37470.72306 16827.02032 37630.67163 22628.59412 30636.40233 20973.36533 29358.66671 40429.98332 31437.54191 18836.56997 28608.24179 17535.79297 37884.24718 23378.77262 45055.01581 18791.82899 22331.90451 18050.87669 28208.97528 15407.5622 trans-4-hydroxy-L-proline 12.468 peak area 14229.90147 6692.200282 10954.10114 6405.794568 6685.777923 10985.81398 8825.261349 6621.183103 4838.879448 6726.591593 6966.279269 7354.28543 6985.881472 6307.679081 12085.64121 6314.304672 6091.088914 6039.804993 8064.659523 9759.139197 6326.682898 14384.9649 11640.32902 11584.55728 9239.442188 7478.356293 8567.258993 8594.133071 38072.19461 16412.29649 13769.87927 17088.46058 13880.96329 14973.96628 12913.11427 1222.12774 5856.767486 7866.561466 8337.510332 8026.637099 11770.45467 7343.221474 10118.46505 10030.24208 5155.050523 5407.99308 9866.35147 10400.69711 5360.36713 3578.59807 9780.534993 11347.53586 6990.894228 13848.80408 8495.946069 31020.31832 8362.772074 11826.05967 9210.514958 9792.771455 11256.63807 12511.24727 13331.00696 21161.19101 10845.96958 15172.80491 9711.054614 12254.34779 8009.541432 22006.59426 9863.905182 7349.347973 8134.609826 19812.10145 8263.865289 Nonanoic acid 11.042 peak area 4617.866615 2319.033543 5605.255501 2211.028129 2051.882917 3241.795753 4407.42784 2430.276008 3241.929783 3106.246337 2566.694645 2303.62936 2387.088221 2010.077736 3922.059766 1849.888651 2174.567359 1951.119176 3532.38687 5631.068047 1312.002525 3164.169062 2341.697569 2115.784356 2880.755131 1677.139654 3335.32538 3519.268052 4993.194208 7835.510776 3261.679239 9959.046713 5367.141828 5099.174461 3873.682991 2778.145604 2504.167138 1599.475682 3000.155808 4244.04642 2299.671187 2310.012508 2310.139534 3810.805354 3875.835796 1363.086904 3688.127476 3593.383083 2439.242349 3438.360947 4043.015545 3027.589703 4649.671477 4478.920046 1151.297102 8084.228657 1480.508997 4594.827262 2783.4263 3211.75568 1953.563311 2203.642484 3138.215072 2386.872867 2719.456215 10871.17736 3329.447909 5530.486458 5607.726282 3931.36576 4371.557149 2687.815017 3156.217001 4607.453604 1470.414309 Phenylalanine 13.5 peak area 12340.44369 12571.26942 6740.574567 13098.1517 16116.03478 13814.39068 7844.672498 11533.0107 16079.44449 17178.71564 11117.43198 17070.78673 11415.84663 22364.98139 18007.12323 18737.70445 15727.93225 24119.17901 16898.26292 21724.95457 15026.38877 15454.40083 21997.42378 19116.07381 18771.84287 21528.49237 20531.28237 22813.87916 19021.64926 15435.29273 19875.03708 14952.23458 20868.15786 15965.43287 22882.27184 9326.444468 11995.75537 17069.69514 14791.32388 13132.59458 16948.92527 20604.77536 13181.095 17911.35416 10517.24049 19076.16478 19747.17507 16433.80345 15943.86704 16558.45858 16927.1496 17131.97346 21989.35102 14943.70841 16878.71016 15966.39071 13424.29905 16599.51952 25083.07956 21506.06176 15787.10294 19098.48021 16012.30522 15424.99494 21409.18334 10475.07705 15710.05249 19060.44289 19201.36582 14043.41802 16170.15685 23984.90904 17576.64408 17951.55627 11575.76877 Fructose 17.161 peak area 6020.640059 8353.505179 7991.411397 7887.96092 6712.86251 10114.75632 12634.36974 13168.74462 7161.109164 11097.77685 9088.940818 8498.59929 8946.501223 38449.3682 18948.4984 13458.63603 8833.943599 17790.8311 17524.29513 19033.88836 8045.657959 20027.59116 19042.16278 12890.48177 23125.74122 26022.86089 15827.37317 21879.0329 22718.33096 15986.825 17230.66915 20149.33251 31719.72849 17748.02029 32389.52558 17332.5763 5234.574877 17715.46409 9138.057844 8806.079634 17179.17363 12649.92599 6334.661412 13651.22522 3711.028256 12085.93611 6694.03129 15059.83001 12645.55229 15040.14018 10497.17001 21237.58594 23295.91531 15903.184 27110.81304 21451.66698 14426.61683 27260.05911 19449.79865 13601.04003 17166.64248 24578.63101 31167.96999 36193.9514 49256.52285 11211.45378 20458.04292 10747.53149 15667.97258 26056.72735 18340.38431 47282.84284 18753.71664 19231.80425 10393.38124 Ornithine 16.521 peak area 28649.17856 11755.54458 20891.66291 18240.08266 13724.76065 21471.59558 18217.84287 18282.411 8964.482209 21846.57453 13132.36936 16138.06601 24808.65524 29847.30564 65023.482 33094.12352 17438.51981 27976.4699 27947.87497 49072.69265 13305.07509 34709.81968 44019.90836 45061.41122 73013.50888 38759.29405 39641.83545 36677.40192 191792.1798 83934.56173 31845.45749 251381.1657 160490.4527 101538.5351 114513.6542 37661.72539 11630.07286 26106.84871 22472.95031 14647.15069 27836.51038 37201.11152 16869.44571 22055.63874 17226.892 16821.93265 23497.5361 32426.40859 34497.12823 24309.72494 27226.46842 56931.71005 81609.10438 45262.17466 30559.82094 45241.62553 22976.999 109963.8949 47377.32098 52418.58953 32030.60079 79935.96759 78333.54964 122029.1235 41774.39393 48056.54411 36313.6317 40155.23744 58743.62557 146596.2956 70365.71306 65934.44428 31557.14815 115899.9869 24093.19468 p-cresol 8.183 peak area 5233.192523 3999.250104 7004.483816 7383.295435 4484.792568 2633.199908 2508.085788 3378.513202 5126.24237 2071.819648 3454.029652 1900.090682 5427.260605 4805.845191 7567.97886 1915.135076 3073.108446 4817.134363 5464.039188 3066.344511 3538.613321 11946.36229 6584.660672 2917.332912 7559.556669 5223.147221 9800.818181 2334.045429 3675.597805 8063.047614 4057.359969 2540.46074 10346.20337 7676.079177 3228.739264 13115.10122 1979.980536 10358.67477 2115.673867 9384.55707 3520.322796 1350.018819 2228.252821 4785.926189 4757.052263 5663.489297 5584.447423 5001.986351 4214.326835 4284.94854 9183.974952 6183.051849 1418.536741 2588.536209 4765.10936 7534.172724 2395.199444 7627.544919 6198.844297 1685.437535 6321.498773 5082.897384 7193.594114 3196.227566 8819.685506 3103.707149 5315.929925 3181.40089 5717.294983 2007.875662 1351.854152 5447.799664 2050.560701 5047.947137 3081.54452 Glycerol 9.847 peak area 87689.21463 57200.00023 78885.34508 105852.0877 61833.99436 94407.84794 67414.57944 65794.00027 60057.95735 73972.7194 62691.74414 99457.99474 60575.99808 125912.8344 77302.67064 103238.955 167691.0645 110018.2314 92680.00037 79932.67779 89507.75824 86775.01142 139981.9493 124342.824 149299.1008 107049.3888 90038.00036 223101.5845 184842.8005 111711.3782 115232.1151 157508.5719 234345.2041 125224.32 101105.8288 121800.5233 77344.86396 66707.80884 77344.29327 98920.65063 148750.7345 99504.90633 66360.00027 68912.22615 60248.49522 116625.9944 72180.70526 83522.1924 83291.6789 148173.0006 143554.3168 117952.4251 170847.0682 184082.8915 130637.2497 120105.2775 127044.9263 262524.7029 109571.1824 188830.9531 84787.00034 127548.0005 85923.11943 145763.0092 146886.2046 113708.189 148206.6995 92098.63345 95674.52847 225090.5486 101655.3496 142622.0873 80433.62138 123096.8379 78868.96404 Urea 9.434 peak area 3507068.536 2835901.495 2026479.983 3860294.722 3230542.691 4912070.888 1521851.335 3629343.311 2462517.94 3016292.412 2371168.705 5087831.396 2598198.977 3562262.37 6091312.46 2954709.214 2207490.567 4110457.226 5746788.305 7665911.429 3055884.386 6547930.327 5432367.896 4114399.298 3613759.974 4886102.106 6338555.868 2748725.32 8180856.612 5247660.775 4343513.47 6863281.91 5989805.213 5755706.311 6382678.746 122172.6052 3000548.583 4032656.892 3158374.221 3117473.915 4909952.404 3385298.432 2814165.813 6266122.413 3137627.538 3189055.893 2851674.416 8383218.256 3250594.254 3453458.761 2780498.67 6001279.963 5215796.133 4339934.762 3693293.262 5132037.606 2587392.433 3910038.341 4019537.41 4283399.504 5522444.987 5220126.756 4434402.407 5431576.173 8135486.713 3393548.998 4540206.775 4464951.668 5358299.829 5262830.594 5023218.835 4972299.7 4448295.243 8405689.415 2943166.563 Creatinine 13.55 peak area 16692.53491 14069.0984 13990.52688 15055.46455 15028.17604 19018.43749 14118.67489 20294.85851 16379.25986 23788.49919 8819.585395 16577.27998 14918.91092 11692.11931 26456.30228 21962.37697 16126.80995 20548.07089 15624.88108 40719.10419 17621.04848 28301.9123 30918.38259 35444.85855 31127.77626 19734.49358 37123.549 18085.12117 43842.79538 33129.34146 25811.85952 41840.45334 60609.72998 27002.3249 43298.75568 25768.76652 14052.73354 23857.73861 20437.88239 17458.59159 12105.2206 18643.09464 9769.349303 16468.21875 16281.91642 15250.10517 20619.23298 19157.87253 15645.01304 23361.70744 23941.83526 27542.98685 38305.15724 21484.97473 17660.03832 28768.46239 23736.31552 29323.66525 31403.34601 40346.78581 15698.68913 31473.83691 13737.65985 18365.8167 27679.65398 21404.31712 34608.33793 16142.66793 36197.07405 38670.22685 24590.49663 25787.19784 22244.53983 37939.48105 14971.9994 4-Aminobutanoic acid 11.985 peak area 3884.385942 3578.878642 4262.334029 3093.951332 4131.506107 4223.589456 6462.179166 3069.811226 3632.80878 5217.106046 3323.163626 3892.924379 5296.244561 3748.984978 3298.678976 2836.188903 4720.469271 2913.093992 3280.217528 4671.233474 4114.060526 3776.452652 3168.50135 6303.088176 3582.932044 5683.962905 4355.610731 2866.301101 4592.502886 4057.25069 3405.880612 4066.377745 3419.983896 5120.072037 4301.503831 8937.485104 4008.784352 3351.857101 3659.31436 3689.347123 4622.839592 7194.376832 212.3866065 4066.527115 5102.325335 3327.118556 4037.980207 3398.716271 3937.501222 3066.207127 3289.897769 3029.79095 3994.74382 4464.254514 3017.850302 3502.561035 5441.681461 3490.298546 3174.52382 4492.437853 2954.346987 3652.438337 3723.511687 3846.948722 3688.036686 4955.119225 3610.233007 4591.970821 5520.556758 4806.948082 3896.434376 4912.10584 2867.764501 5318.392532 4687.977672 Phosphoric acid 9.747 peak area 261336.2616 190208.7467 235799.3005 147272.5634 158724.3149 306770.6004 217117.7145 441258.9047 142642.8482 234397.4205 145914.1738 242462.504 327769.6162 398623.702 755882.7593 491709.8314 332699.3916 329761.8824 344345.2968 530341.0047 227515.1024 480422.8762 552238.2079 571084.4179 732175.4414 553469.2115 251313.3232 547119.7194 1944836.666 528094.4497 367705.0753 1372428.669 1018976.399 1367007.455 1017216.878 663626.9298 151484.6008 234309.5937 363059.2368 186304.1421 720685.1395 504068.8372 219904.3223 239386.8985 222592.7424 291571.2635 320732.4806 416196.4015 465538.737 429873.4033 587553.888 465443.5186 1092018.037 465187.3433 349261.9068 655961.411 438224.715 1167080.974 445112.9828 952562.6865 491851.6886 643476.9365 1035577.815 1246261.614 382855.5838 472989.0921 544621.5643 477250.1729 959237.6639 1129154.691 460858.3487 919043.9996 359651.3589 927039.689 294111.713 methyl-beta-D-galactopyranoside 16.884 peak area 28807.74907 60056.64276 32954.482 28642.64716 43658.80543 47559.17212 47727.18318 57680.5898 43515.96752 73054.09292 81374.60884 72860.03602 47654.09178 69310.00639 77940.72429 43388.98707 21571.55174 37291.75143 48909.87259 75336.80463 32946.45828 125517.6648 124075.7613 68274.47023 106604.0277 90914.4038 74660.95146 77220.11854 171902.2362 151082.7199 50612.02313 98949.74314 93185.79824 85914.35365 115370.2105 63328.04102 24679.34667 66703.85841 87467.07117 50363.07268 48549.72996 83557.41729 86774.82465 66441.03382 47697.62853 46462.57251 91371.70758 78360.33064 72809.08012 33402.9703 36612.19662 123214.761 84245.04334 50713.1025 8092.928566 46394.60865 63364.65043 110208.9081 80675.42822 162785.3042 79897.39827 68748.55551 4460.15153 84292.09687 5061.047573 30680.37055 75980.40294 48754.15745 100636.9801 114777.4232 86619.09655 117549.2966 79811.42753 120870.1127 59477.08401 Alanine 7.426 peak area 318874.8614 98848.64588 214492.6215 144239.0851 107139.5539 252040.218 108323.0822 73367.58368 73989.11821 158293.5601 87035.22214 121908.2183 169122.7726 192942.7685 182586.7227 220942.2688 101837.8982 213028.3695 119602.5669 232888.3614 60729.81242 249770.3885 260697.7582 246195.8398 329672.5683 130464.9735 131135.824 206614.5609 920585.9158 306255.7174 145816.6349 750043.41 549568.6009 580358.9401 245209.943 219493.493 90023.45554 165080.7118 157421.0258 146001.192 219333.606 185149.319 111178.0531 204770.6332 82415.71082 104374.4809 304610.298 231986.403 141209.2652 171232.7718 220211.791 153918.0215 413179.3131 184809.6205 125116.9569 383374.4213 123759.0306 379561.9508 314701.9647 496716.6413 126694.2182 361916.1005 260843.7948 352861.8219 156421.7355 209363.0032 161535.7366 286767.9267 134548.2751 593045.7645 154614.5039 260532.6094 101485.6231 324687.1127 148974.2307 Histidine 16.334 peak area 10675.15655 7453.418123 8913.709712 9859.625784 6497.105871 8715.570195 8292.932782 10023.82663 4926.602795 10586.26169 6163.784349 6528.830301 10414.60674 21030.94951 25504.90453 13333.41622 10221.96728 13145.33227 13953.67102 20437.81933 8305.637767 15025.15302 20382.84069 18273.79427 25755.62133 17828.57478 16058.29935 14981.08774 61913.98194 26876.62388 12751.21862 83569.36207 60415.67345 37448.46409 42156.67748 20338.84856 5938.030071 11442.0002 10467.96071 6505.527616 14237.60397 17207.89966 8836.289345 9928.554085 7048.824887 9151.391436 10266.03097 14653.65957 14689.65116 11748.42176 11643.90726 24379.36901 34023.14626 18644.18192 15848.12632 17499.7921 12176.28388 40900.34231 18987.06786 22268.46937 14022.56379 30236.47284 30828.57915 50419.59456 24471.35719 16369.0799 15277.89716 15400.10592 24460.89644 51237.96585 25085.20073 30562.00149 13353.99721 41761.77442 10566.19081 1-Monopalmitin 23.483 peak area 2998.455317 3078.086069 1925.650196 2578.856715 3755.239218 2278.023644 3504.348477 2666.689877 3358.685962 3322.054061 3388.384388 1890.631848 2185.433813 3495.058246 2304.524642 3067.882993 3362.682427 3724.674605 3552.928135 3444.6467 3013.77218 2735.451116 2543.613007 3720.737287 2014.759308 2817.763955 3124.12357 2236.852893 2181.484727 2482.549034 3529.191665 2176.60461 3302.314105 2194.315938 2954.019619 3799.527902 2512.260996 2714.394248 1461.07142 2568.022979 2793.756534 4328.482207 3041.523513 2622.65441 2893.758479 2758.47547 2672.394692 4575.035419 3433.270755 2697.47991 3395.217411 2891.608677 3395.074312 2952.648894 2879.595975 1486.72879 2797.812544 4795.155409 3126.157908 2578.918837 2845.789965 3128.195736 3375.972059 2122.671036 4061.518841 2010.634506 2357.402026 4462.041027 4017.392411 3121.951094 2573.777683 3319.60441 2127.181166 3632.925407 2632.358654 2-hydroxybutyric acid 7.72 peak area 14943.77305 22400.53837 18699.90402 26061.14576 20031.08903 48110.04251 30238.67785 25408.94877 20764.55877 19729.11819 11919.35681 23110.88986 29826.44131 50104.35728 31350.87153 37945.42956 26181.52084 63079.34489 30881.11896 31263.1875 22160.21024 33296.47954 52451.90435 44885.13241 25043.51915 53430.99784 34142.71957 64401.89389 86115.3022 33361.73121 44104.03161 63158.91159 58565.13456 44085.98418 34209.18961 39693.37645 22247.26866 24701.36658 16412.49014 22275.95236 30912.57805 33572.95833 20246.73922 29176.05166 28522.8883 18767.74772 40114.07844 57539.79063 16033.80179 25271.76827 29671.22083 39221.17 108606.7676 43048.79361 46510.47312 39197.2331 34988.94934 39553.04375 59111.61323 37563.25289 23269.63261 84935.20926 44161.60606 100780.1338 47425.92835 30277.878 46988.32234 53859.68548 36735.63962 69815.96885 26186.94589 65543.68947 25074.91298 46688.36853 21508.56469 Glutamine 13.318 peak area 22596.21881 9628.399396 23591.76322 8946.301157 8759.010414 21289.5857 18024.35088 14335.41215 5927.45217 12823.87933 9838.875263 11035.33618 13292.29522 13529.67226 21434.15763 19205.41013 13205.52905 16561.12821 18985.05738 17266.27588 7491.078088 25662.58186 22144.11198 17961.63482 26441.6435 10862.92235 12890.96198 19675.71201 98474.19803 29476.55161 17497.29135 68201.92852 38101.19685 44054.18205 25213.62873 1737.59044 5479.315626 14584.42291 11639.1032 11741.8287 24894.41749 10338.35407 17777.50116 17652.51359 10344.92096 13164.92024 19258.8285 24407.43529 14632.43012 15384.2064 18542.37095 21895.05896 28521.82618 19609.18276 13158.19873 47396.83506 9290.509281 65049.15798 17288.06832 27488.09448 20532.27438 22120.99086 34479.54996 31275.04479 10523.50261 39548.34821 20394.95304 26958.3684 17921.62151 68112.02148 18796.50854 24465.17166 12418.88184 28848.39805 16018.22226 Serine 9.646 peak area 26011.68351 9713.563573 31141.70345 16193.23088 13130.693 32331.74023 14153.535 27878.52742 14513.33421 20643.22749 13280.22441 20731.7101 20604.06618 23389.14986 46281.50578 38748.72183 23062.63343 25270.22152 42346.24527 31576.50075 18926.58559 35944.16677 42863.43306 40515.80581 45055.61503 37414.77496 31399.80783 33314.68901 146004.0197 60523.86921 33761.97242 111666.9063 65821.16372 78419.75089 48841.12343 25295.44717 11067.50139 24835.97858 35849.16896 27413.36825 45186.33442 22479.00998 26095.62478 26258.29766 18327.42029 17707.09673 27410.00637 42922.92063 34626.85118 28439.09967 37731.00141 27340.47119 50219.4676 25717.56457 27552.2198 77826.04415 25500.98401 82019.42274 37126.18316 40346.86166 30628.35689 41035.51613 70636.52052 83901.50551 25970.81122 60204.69829 26844.40559 42350.23964 36019.09646 62496.16493 49846.60377 37731.82596 23809.18069 55383.21158 44511.00757 N-methylalanine 8.421 peak area 10859.43965 7497.281036 11753.28112 10365.58106 7607.166272 11789.36172 5721.566775 14881.34646 10817.46793 6606.522257 6071.11509 14320.80081 11611.72102 22782.0149 22533.74716 13736.62049 7234.862352 19650.88743 24446.9662 15936.00932 9427.469089 26976.86005 29664.78775 22293.21004 20563.75491 28349.42218 19597.86845 29665.13293 82800.9875 35971.59489 21441.94676 54409.1163 39618.27446 21621.65742 36780.56639 20079.27477 7324.66919 13596.95211 12160.58421 8276.684918 21778.18533 13191.36638 8746.017326 14001.34898 9818.929341 12226.36562 17586.14286 18442.90099 7887.217238 13773.85162 12737.85554 22868.68744 39127.97014 28295.02458 23770.35021 31746.60373 16372.04768 36526.61452 21613.61306 18684.27606 19552.902 33984.14089 23023.28986 57968.54665 22975.21553 22088.49662 31954.20864 31154.32355 19922.78362 47508.07522 20853.54238 19956.17343 14144.06403 28393.62523 14923.08219 Succinic acid 10.391 peak area 1236.321343 942.8921062 947.9862445 857.7577723 992.8209691 1179.490454 1195.362488 776.0889482 891.894888 792.2684571 957.2621395 1136.320895 887.8418672 1168.83781 1791.762356 806.2941789 1652.991316 1000.825766 728.7023506 1279.698043 1274.995015 1151.714856 1137.047931 1233.130885 1654.686005 1118.189102 1535.781569 1535.662126 1909.603974 1697.030379 1176.085307 1586.152504 1544.572601 2164.548505 1046.142442 1963.990515 563.0976016 755.8305583 788.0480835 818.4017033 1715.254271 1245.457092 538.2083248 1053.506193 931.4810351 940.6243046 1154.688126 1290.870011 885.7419236 1215.266708 1662.320571 944.24251 1763.842739 1767.747681 1371.083453 1598.208174 917.4847323 1852.52096 1373.537909 2324.611799 1295.908514 1036.226019 1545.538997 2243.123089 1789.12619 678.8438683 1258.635906 1714.449627 1832.662587 1733.027607 1604.232038 1894.289143 1072.912958 1302.530341 468.2249745 Asparagine 14.882 peak area 1317.846897 625.8851711 787.6024277 640.1990283 318.2070839 517.1605265 658.5097286 664.5965756 137.8208375 1251.746415 484.6081895 776.4009961 937.7640206 746.9226926 2154.434907 1034.626855 500.82855 1613.755575 1068.716696 1585.642507 857.8699568 1495.328676 1440.055532 2212.187896 1501.584342 1372.740873 1742.086264 1151.397824 6266.261928 2524.10045 1245.815385 6427.633043 3740.92615 3356.235654 2690.473741 1274.579848 1025.577154 1128.485906 949.5456237 797.504112 1685.804675 1306.890988 963.0706751 982.1814347 854.4261815 748.9044096 1374.834614 1609.010139 921.8064466 1201.511524 1288.01648 1311.170605 2382.91767 1340.094983 758.8127184 3168.835082 1109.660991 2736.369673 1278.4808 3825.609932 1224.923526 2382.142067 2932.138617 2395.353796 983.4169373 3008.865663 1378.935727 1832.941155 1283.677117 3272.483792 921.2594557 2068.924633 1391.060656 4407.55265 975.3645117 MONOSACCHARIDES 17.535 peak area 7989440.266 8615244.676 4465835.576 5122525.705 4274764.189 9250156.737 5002296.367 8377459.337 4377421.153 7730759.255 4107385.206 5373992.3 6906087.485 32921142.84 9209845.678 11203424.77 8424433.157 16198501.75 8455759.374 11487050.39 5709436.465 11298176.46 13499050.52 9106756.998 15041465.61 16581369.83 8831727.468 12465653.72 20550944.15 11326277.39 13594504.29 22009417.29 20196876.91 15653947.89 21272547.73 11569837.18 3991285.473 7952118.003 6768901.27 4902180.191 11417281.35 9537760.499 6163750.664 7596865.843 3918043.133 8037748.371 7599795.532 11348265.04 8749592.004 7887379.029 8847707.357 11297473.89 21874092.7 9506583.978 19886076.55 14105644.92 7678367.392 20057497.24 12539773.33 12880209.4 9323252.606 17449260.34 10910910.52 13686733.19 33071644.36 7791812.256 10432858.93 8658148.601 14882699.8 16578760.52 9998337.501 26678954.51 8852726.35 16798283.59 6031009.882 Lactic acid 6.807 peak area 1878619.491 1221090.642 1165842.169 1017895.813 1225662.67 2328359.715 1382905.4 818627.8474 1298074.601 1538106.208 889938.0601 1132611.616 1297353.762 2418614.355 2653455.917 1828350.484 2176998.75 1741422.626 1037970.061 2016987.195 739960.6059 1905240.477 1641426.716 3832221.464 3286416.783 1716287.145 2654426.151 2454967.629 2965302.321 2635695.347 1813849.722 1318053.253 3144644.127 4396603.388 2103336.068 3348105.623 913283.0004 1366284.919 1152348.314 2212034.381 1126084.238 2140243.257 974150.5436 1949081.61 1589107.554 1088581.029 3378222.411 2181275.979 992466.3391 989833.8395 2033492.072 2248696.081 3410971.794 1220868.146 981423.6559 1740733.148 1824973.493 2046229.395 2617755.228 3073401.934 1613750.269 4054243.821 1916424.378 2849997.727 1803596.838 2180151.749 1027671.458 3084554.576 1560870.604 3546537.722 1739533.074 2340341.839 1683977.926 3944247.013 1123565.418 Hypoxanthine 16.409 peak area 4031.814988 3232.000017 1606.562287 3630.001487 3233.3802 4569.622423 1519.968531 1484.000008 5393.263623 5972.719329 978.981832 5009.752493 2905.999651 5854.056169 4355.018545 10920.99956 3065.903974 2276.999688 1605.000008 6486.205174 3355.474488 3819.001169 6856.173017 33186.73574 1242.056371 4013.043844 3207.000016 3210.933522 4128.318348 3223.932214 3798.208516 2880.493891 2815.095483 7014.997422 3244.487272 10025.85731 1219.970646 3507.295951 4846.195429 5946.834736 1823.910857 11409.8431 4562.000023 4850.951077 4629.30518 6672.513185 4585.1961 6899.860721 6287.671767 5797.00003 5213.105012 3195.4982 5113.893861 1924.996221 1791.99648 4560.205418 23929.35955 3136.998063 22209.9902 10751.85245 3415.000017 3217.000016 3820.591286 8149.000279 2962.107626 6358.283493 1636.127591 6547.043778 3854.573552 3618.443688 5840.961785 4441.378717 2896.593875 3531.363748 2574.069034 2-Aminobutanoic acid 8.37 peak area 11010.12639 7321.452378 11862.09083 10445.16915 7585.790252 11715.8539 5707.596031 15017.39535 10785.4974 6561.237447 5803.329349 14262.29407 11601.78473 22713.32955 22679.41555 13650.76815 7185.880035 19519.61392 24664.12404 15564.59791 9396.103643 26434.58012 29568.44652 21672.42911 20560.61681 28060.1158 19745.34603 29461.86284 82096.59784 36430.77631 21294.24344 55015.46862 39272.32935 21539.42258 36620.08087 8983.406009 7277.624122 13618.2885 12088.02401 8231.374791 21642.78081 13130.14843 8786.093118 13918.79804 9570.775932 11743.07327 17466.88481 17945.84147 7847.324905 13888.43034 12650.28564 23382.62111 38865.74394 28247.33812 23440.51821 31822.42475 16263.28532 36310.44751 21514.81426 17927.40782 18964.00396 34107.75952 22869.74984 58464.19902 22891.73219 22173.14511 31070.38194 30939.7688 19821.12336 46682.23819 20738.5327 19072.19625 14190.93369 27899.77251 14848.79822 Leucine 8.22 peak area 254732.2765 128285.5437 128408.8235 128392.8217 146543.2184 208442.6556 156226.4801 141390.0508 119786.2978 200908.5493 112566.8345 144581.6542 156132.9894 229444.1147 246016.2753 187026.5711 129080.7361 240399.3246 214705.6084 248110.6682 116798.9413 321577.5193 261565.0132 244575.3796 220810.4078 345271.6782 324518.4501 264609.8089 522401.358 284042.8173 291482.1841 374233.9804 370705.8318 320460.9049 374988.836 123939.6206 98577.02375 191729.9583 140926.0987 172885.9079 255261.3607 221052.4588 151464.5305 229516.9837 133926.697 144327.0189 259284.1014 277073.6306 156767.0818 196309.4821 199289.7815 227991.1375 336050.1747 225064.5384 203994.2195 373837.2053 254737.4877 322293.2275 375567.2332 286193.4069 336502.5402 394692.8002 271882.4366 281066.6639 336253.5429 195115.8663 278185.6826 360224.3079 265404.565 422837.4473 202926.2124 277648.7142 168175.5274 298917.8071 136453.0652 Mannitol 17.754 peak area 461508.3478 489117.6194 266595.9317 316460.298 265038.7196 524510.5242 289238.8947 481019.7356 267984.3268 457143.3924 251541.4748 337882.8659 393789.2588 2147604.532 528784.1742 647187.0184 492223.5058 892151.7804 398531.31 670426.7093 342906.5301 643116.6709 784443.0072 496603.4155 837360.4178 892567.2866 549867.7734 702183.5986 903208.2108 654772.1412 750848.6549 1064629.955 1041899.218 766665.9454 1138103.605 610445.3155 247813.3657 485879.3031 403023.774 287614.1024 443945.3228 542498.6896 363531.2854 433855.9533 83505.95308 464213.7102 398709.6732 637399.4136 519501.6167 467916.2357 507360.2431 639511.7093 1184392.076 546588.5391 1120600.028 790469.7411 489375.1146 1022521.077 701229.8611 744417.0352 439845.5092 931786.7066 600270.4286 506380.5372 2214729.888 456399.427 613056.9222 487201.7774 793397.9462 837839.3794 573188.1119 1456199.869 518006.9609 875905.4807 348813.6303 Itaconic acid 10.748 peak area 9933.748621 9075.400145 13546.60039 9987.711708 9590.081183 8134.388349 8719.559756 10748.32665 10220.34068 13013.29265 8182.473612 7533.156602 9169.447216 8825.853275 10583.36874 10050.70132 14029.00178 8954.070742 9927.801951 14412.38216 9628.84895 9438.112079 10588.6316 15906.16346 9541.270464 12336.38521 11390.37982 9793.806512 13283.04985 9239.613252 10739.01942 13482.67792 12025.47659 11649.82654 12701.61127 18636.86683 10878.27007 9597.741164 8801.295646 9212.368617 12578.46055 15640.90939 8661.783603 9694.380778 12251.54227 10972.41241 8871.065575 10270.04273 8615.744382 9445.769041 9903.560491 9534.146471 11126.27575 7712.185703 10658.34447 8111.67585 11895.7467 10053.30132 11188.44655 15691.60068 8023.517096 12023.39834 12296.63949 10215.98331 10254.40863 10843.53607 10596.24526 9202.444319 13312.3953 10032.59958 9061.320726 11183.22727 8487.201408 14209.62337 10855.80277 Pyruvic acid 6.644 peak area 37305.91714 21134.96288 31083.12632 29419.19231 14289.99639 58667.56709 20369.90904 25719.3824 23747.96337 20340.97198 36868.22508 22809.6922 20178.99688 41608.92505 57861.61609 31802.59734 41414.96242 52367.48101 36818.21005 36790.58997 17614.68851 18494.99997 35795.46445 35953.57722 81996.70003 51504.05388 63564.07157 85798.40874 71064.53529 70989.88739 49553.28371 153608.5829 94024.00952 97518.61813 88261.79589 88375.62052 22915.34159 25076.75503 26761.85551 37504.19617 52552.79051 35449.525 16311.37644 36393.57619 20177.54899 23839.99442 54848.2698 42186.17904 31498.33636 12935.18224 45065.72215 49091.54854 73820.68541 47552.97413 32381.07208 33164.63637 9248.208394 63028.10857 34597.63761 93217.57137 57557.01182 108780.3023 80206.14691 96573.18023 50041.0765 23854.67173 25134.275 102316.8909 63762.6721 76584.66811 81779.36436 106108.3719 45898.55593 84546.33398 41750.08302 Cholesterol 27.556 peak area 193854.706 186205.7912 201024.2581 141320.5051 155268.4096 164598.2447 130656.0763 150337.275 123691.3951 106726.9485 162581.1274 213084.6873 138033.7537 208748.8264 163649.0874 145173.8568 174300.1192 155097.3283 148192.2315 208231.1163 138697.9291 233300.2691 237769.8489 216195.9462 123183.2236 170992.4345 123427.5935 157056.5946 204269.3491 178666.3438 179567.3154 169384.8921 190495.759 177732.0195 219779.7071 182149.1386 122863.17 148395.1951 150879.3795 88160.68988 156603.4234 181840.0302 188638.0039 161412.5781 158688.8494 163434.1786 164427.4443 194110.8076 118719.0062 160424.457 221857.7223 196212.6989 170308.0707 228686.1987 203063.7922 201626.9754 170874.5869 263629.3475 158379.1299 226460.285 163734.6183 137833.974 157780.3246 179616.4541 168443.4133 131152.5017 163291.1135 249870.32 163312.2517 201404.3998 225982.4905 216846.5267 190045.1343 211955.2879 164564.7289 Malonic acid 8.828 peak area 155490.7791 104226.7404 85569.35374 100892.9544 82302.28463 154381.4311 134622.6833 144283.3658 112020.6287 144438.9109 104494.0259 91979.36056 120769.8877 126238.7349 213989.5676 131324.3704 139258.2391 202293.0911 226165.1787 205183.3817 92141.37859 161543.742 246780.1104 190233.7073 235455.1694 245107.5357 218973.7147 230305.2321 410676.5457 179439.5757 136397.7919 583555.3247 311476.9606 255604.3592 318005.383 242434.3256 78086.28952 138790.8318 160044.6622 131068.6024 287506.6825 181180.5407 101926.5462 111110.0343 101152.4794 97561.83291 136869.6095 190585.0316 168809.665 143381.971 144427.3644 157801.3821 367745.1113 233563.9805 93234.95616 215468.1617 229734.4152 356178.357 161939.2237 139515.968 260850.0282 274166.7446 225265.2231 278782.7868 184296.8453 148351.5568 232323.3014 168333.1034 223350.124 276819.7915 291783.3634 288356.2249 191128.7833 297117.3615 150144.1957 3-methyl-2-oxobutanoic acid 7.45 peak area 8600.99068 7454.824476 8627.997989 6377.751718 6619.976615 10479.49001 8545.25701 8952.018128 7570.559871 9154.895429 7808.500678 8271.253429 10753.29548 9290.238925 12108.06385 10924.15938 9065.971478 11280.05896 6955.88174 10869.53665 8364.259079 14677.05482 11279.62506 10586.53381 12100.19322 13209.49625 11111.2278 12618.46188 13696.8501 12520.34745 8987.818197 11934.3646 13090.22792 16694.68417 13636.96035 10436.5636 8495.12098 10104.27414 7101.237259 8228.189781 12421.07178 10852.53499 7211.878934 9938.707317 7331.899771 7018.955985 11579.55148 10308.34243 10543.65397 10321.0583 9379.25454 9302.435093 15843.70121 10719.26215 9615.909963 13127.47401 8370.97955 13065.88608 10589.50054 15384.40151 10144.78332 11897.31587 14404.8828 13319.84797 11356.26004 10720.11842 12288.12745 13192.52057 13630.54863 13187.72884 9392.115949 12484.9705 7218.752273 13709.746 9430.205814 Glutamic acid 13.268 peak area 62221.34657 40055.99797 48114.89314 35805.31542 42571.48397 70631.13976 51421.05064 45646.78318 39139.65646 43799.16242 43336.38298 43613.02321 43865.06944 49180.8114 51287.74341 47422.84647 42881.54343 43867.68037 48570.62161 64278.44291 34550.16314 68456.51814 47177.66496 75741.24403 49277.48166 50949.71136 57775.1162 44720.25889 70838.60394 78885.48346 56244.95241 74293.45761 49018.96838 61049.70116 61437.48475 16572.95249 29849.04739 44457.23473 50045.20758 49921.32921 56417.68345 46357.56408 35382.41017 71028.12102 33051.20598 40893.34825 60742.54404 60209.04294 37239.33131 44877.10344 53152.62209 60242.93557 43161.11198 52911.0974 42905.52221 76401.06752 58326.44119 68590.91844 57574.46422 67642.28113 55740.25539 56491.25386 62768.42451 81191.22507 52450.81909 78351.86092 50251.21946 67643.74456 56396.45271 90793.8446 60066.59984 45658.86048 50656.96277 61709.14322 45825.84583 alpha tocophereol 27.424 peak area 12443.20878 22633.66921 18947.75003 14149.29456 13377.48378 18600.71385 10100.76041 16966.7948 12781.47222 11525.73056 12521.37819 16911.29775 13181.56107 16497.8759 18991.18172 14041.41428 14190.61777 11907.7045 20114.81963 19458.74478 13376.02644 23028.95004 21571.51338 23369.93169 15302.40729 18982.22299 18298.59665 13896.97293 27646.42521 18557.57267 20283.26183 21224.97684 23228.68012 20498.99811 24855.0813 17227.06822 14010.46634 14814.09891 15822.00687 10650.19185 16525.39995 16654.54119 19038.60229 15201.93066 18734.93843 16595.46062 15044.1587 19680.30511 13655.01484 16833.91599 20945.33164 17764.93947 20602.23696 19867.25078 21843.26983 18657.43136 15507.05796 24092.31287 15617.90998 20158.28286 16365.48638 17491.0419 22098.47624 22999.69684 14816.45125 10549.07848 16551.81388 30318.50569 20325.69531 17433.93961 19927.98023 17487.72046 21001.13409 22600.2281 14116.73635 Citramalic acid 12.461 peak area 4402.13815 3387.827659 3719.037567 3698.711719 3660.152137 4934.791862 5358.714132 4137.760959 3618.635089 4811.976746 4246.235714 3316.880678 4397.573902 5768.603994 7374.652673 4696.550493 4653.606789 4720.059077 5192.89049 6111.584664 3538.011848 5962.020805 8083.705107 5072.839434 6310.47449 7115.648528 7472.378696 6426.452816 10252.45843 7439.889857 5002.855639 15590.97686 8808.059565 7831.168271 8396.585586 6835.735273 2205.609893 5217.888795 4755.190619 4626.24255 6187.671416 6318.218356 4001.322359 4026.338211 3812.556822 4493.587908 4643.573389 6287.06348 4131.161441 4811.430975 4058.454991 5633.775253 7908.771926 6722.427015 5801.219963 7758.759728 5559.165704 8418.250189 5561.206805 5325.451835 6139.24048 9511.517212 7556.744472 8107.120382 6540.385757 5983.499165 5370.085797 7144.70074 7457.626527 9411.85403 9277.029337 7184.278761 5136.607671 8274.294799 4087.933133 Arachidonic acid 21.757 peak area 6017.839748 5187.151092 6303.018639 5865.015568 7017.694964 6242.065347 5305.880708 5628.027485 6212.384703 6436.109126 5617.226356 7634.141116 5238.055302 7635.723191 6871.718636 7333.995579 5403.58482 6854.53288 7523.574767 6417.150519 7476.148172 5340.21384 7862.409071 7007.112268 7200.079439 8414.577379 5561.305343 6383.967816 7227.581688 6307.668655 6610.236677 7276.185574 6567.212045 7537.400773 6631.381632 6922.467746 6166.349211 5966.7167 6333.465128 5328.291527 7405.323529 8054.596265 5105.072339 5897.362201 5272.097786 6647.833777 6031.951435 7062.300978 6238.385115 6011.698276 7085.416179 7156.130328 7225.190023 5925.553612 9224.418205 6730.479405 7800.276842 9099.897696 8522.774357 6515.748388 5535.224611 6076.682291 7951.000178 7368.855175 8592.309332 6096.389189 6057.015491 7394.390781 8458.860814 7197.7086 4892.773868 7453.02499 7278.061026 7996.599697 5758.840743 myo-inositol 19.261 peak area 9738.079312 10010.81195 5291.970231 7563.052824 6345.182966 7381.607736 9954.678466 9861.111979 5167.284008 7186.265354 4939.779017 8351.674855 8697.895775 10776.8929 13918.07859 17925.06667 8690.880265 9464.138607 11372.4814 17273.50043 7271.87315 18386.17666 18175.21903 26239.97787 20939.33337 15936.18283 11673.6296 14848.7891 27648.15236 19845.55798 19123.0053 31360.42982 29977.28375 21858.31026 30010.10324 18856.2411 5281.689517 11119.21717 9158.002551 8025.831612 14236.20253 13986.17607 7121.542598 13209.47069 6433.456694 7705.759749 10905.69449 12898.76111 9469.285815 8036.292458 11655.83866 17693.7247 18373.14237 13594.63085 20981.40549 17603.73249 13436.28132 31911.50185 15800.57527 30962.38865 9614.462995 16165.09311 14000.14335 15409.6418 25379.88784 12326.06303 9240.210718 14382.06335 24755.17958 41232.12952 16590.81207 18298.9527 10282.26614 21635.9815 8844.783648 2-ketoisocaproic acid 8.502 peak area 5821.372378 5091.433156 6108.78691 4657.23189 4305.307616 8356.130671 7987.148782 5886.899242 4985.093969 7649.893669 4969.381788 4408.198871 8226.554763 7524.127293 7590.648142 8830.548749 4594.086912 12592.52107 7230.55814 9058.909839 4858.383345 10716.59304 8159.611213 11820.79774 9351.062303 13716.3255 11432.50506 9703.057685 15378.80462 11852.7034 10036.22636 12032.95912 11365.12884 14163.14339 14300.63806 14885.50931 4541.305954 6002.304654 4375.266644 7235.861297 8825.20061 8687.208226 6994.290843 7111.497728 4019.398139 5698.310968 10223.50934 9527.250275 7678.487944 8336.66916 6867.405349 6828.511649 17791.82111 8701.021297 7055.57749 13335.40511 7451.05288 13446.73136 13218.83871 11685.46975 13158.63276 13472.78226 10718.48506 14230.41264 11442.03764 7560.6042 10690.30473 14594.08545 8509.650825 12207.77034 5934.889722 12615.58679 6216.973116 11206.6357 5356.720216 Acetoacetate 7.482 peak area 8811.679876 7421.817168 8605.530024 6502.799831 7181.305867 10763.60129 8621.060558 8602.010601 7746.612106 8791.325358 7715.921219 7164.618521 10554.77688 9851.34715 11950.74249 11013.18789 9489.533988 11733.99989 6406.986472 11429.46113 8584.32836 13317.68258 11248.66522 9939.517464 12467.15292 12790.64339 11008.70291 12961.99783 13684.09061 12205.1825 8888.578024 11929.85215 12630.59637 15208.6693 13717.27985 11051.40625 8699.956788 10189.30782 6729.20892 8081.460538 11624.3399 11104.52462 7364.623363 9992.644798 7295.83687 7497.417611 11698.74574 10112.25543 10986.50934 10212.07666 9545.082945 9654.725722 14711.26816 10823.45245 9618.639727 12110.73545 8488.609101 13592.79191 9990.708041 15847.85229 9658.32501 11967.38177 14340.55785 12584.09707 11694.21726 10744.00852 11418.41757 13049.72467 13139.60115 13178.769 9149.690899 12809.30162 6814.770475 13781.9286 9488.705753 Glycine 10.322 peak area 64313.28715 18826.43502 68724.1296 28542.9916 28062.96718 64021.46989 34202.76099 53980.24808 30797.91412 51906.63005 23900.79221 37542.39893 31441.66175 34466.91338 53257.39378 71817.42849 33006.55026 25702.68382 39747.13718 44070.13312 24853.09646 61464.82222 57542.81698 82798.90615 46848.28443 36682.11124 32241.69723 36748.77364 326958.4148 69613.81627 39339.32024 184793.998 84760.09917 115309.5721 49049.10537 1377.362911 19612.85956 30821.38563 79452.43113 44730.57156 55829.57312 46839.34196 39915.97589 47877.13742 26923.17957 25257.93671 57383.4104 53305.1472 62670.7128 47513.31047 63646.63897 46061.11059 62587.2087 43326.46773 31649.64134 174236.7162 36593.35969 173652.0407 40670.98454 68040.23099 34281.07695 48892.23566 96229.23751 107104.8355 25420.47414 114624.5955 48517.46575 56705.72955 58667.6608 135415.888 98568.49072 52534.32597 30373.13613 90917.51412 89438.23437 Valine 7.251 peak area 319385.4032 188446.6911 159112.4669 179807.5214 154433.4923 258668.8398 178226.7331 199634.8022 138021.7887 223037.7327 127542.1935 211378.0774 225290.0589 322819.125 327023.9721 247710.4122 158830.7822 275299.6628 294670.4779 261532.2461 153395.0609 407469.8102 384850.0368 265077.3005 290836.7624 382283.7739 345702.4497 372394.3578 837334.6941 407838.9587 327089.0667 517327.526 519508.6523 439491.4909 505907.7677 2201.25069 114842.0928 229681.7661 156213.1888 204882.9411 303623.2578 271137.2644 150926.6767 273512.6269 138764.5865 186346.5306 292320.551 347472.4723 232036.0692 237161.7419 259242.8506 262591.1022 453193.3194 309764.3036 246027.8813 557166.5563 246422.2118 412726.9389 445959.7223 291328.0075 374332.8616 484900.814 315445.6901 382453.2963 441735.3856 225847.6389 346561.1422 418385.2956 299135.2487 557966.7577 268081.487 348981.1884 209767.2133 350066.1179 174697.7482 Proline 8.564 peak area 316364.299 120084.6254 103807.3203 76514.79582 232882.6821 226443.8996 149135.9723 141174.4768 86303.56719 142003.9814 100576.5619 125177.1964 137795.6001 154705.897 139974.9722 256230.1542 119480.8748 152224.3537 147562.4178 255589.2327 51781.91449 240243.3892 180713.3563 180369.7404 217977.4319 218794.6508 197362.1771 168949.0387 529045.3697 196768.0141 156656.3593 451617.3704 350688.4222 234702.4637 273408.8908 188065.5908 59738.7002 154448.3187 102658.2568 178012.4144 263635.5579 139211.7241 92942.2096 163372.7237 101129.0864 86939.09084 164006.619 191451.5461 121457.4447 210637.9366 132541.6588 201772.3778 240750.5614 265037.6387 140573.4829 327031.6104 303121.2853 347972.9204 194077.5954 530491.6651 185238.8229 280716.9996 132795.9763 209185.039 190615.8372 153802.138 227639.7732 287157.5535 163941.3521 462901.4577 186808.3519 254815.6525 105677.5638 228981.8917 71906.0248 Tyrosine 17.272 peak area 113637.5413 49156.33167 48151.97282 65461.57636 51331.44358 95582.12822 43127.44121 59299.91165 40471.84001 72550.59967 43568.00055 74944.06567 59336.74722 132800.4872 87523.19568 95967.88365 62701.06443 115497.3293 92409.33675 84162.59885 40146.89844 98042.7889 114076.0461 95702.12494 149426.7971 103130.4407 71089.70598 139325.7646 237732.7369 108371.1171 112387.7008 219418.1111 155335.5073 145454.5202 161571.9727 10081.7754 38954.94883 77620.51721 51568.85714 78641.26832 95237.03997 113627.7923 49059.68038 94066.70446 35743.92004 78642.9322 92631.98039 100256.7087 61673.82967 84119.02968 99717.27086 81339.57508 158031.1582 85224.5981 78905.11382 147716.4137 69994.35376 157659.3006 114879.8515 131860.4855 94309.71891 155706.5589 121089.7715 111315.8168 146207.7934 85471.83869 88374.22562 132838.5217 106984.1035 125748.1997 99189.49082 151345.9654 95384.03675 125451.0643 68430.95881 Uric acid 19.743 peak area 89706.30534 112875.5273 28806.51101 58341.16895 49711.38617 65151.55312 81950.87305 81023.35952 93557.48268 79051.48244 49872.10032 79746.00044 67103.7456 72280.44924 98900.71312 78284.03345 37775.86749 91427.06207 219111.7388 145242.1839 33151.7773 84823.84432 119503.7555 172536.5978 101096.9734 200972.5402 163971.5265 80714.52344 307907.762 131025.1225 133161.081 389859.3633 227772.7005 135887.922 177536.5106 107879.4176 47109.75327 87306.5313 58674.28296 80640.85936 129340.3903 256024.7908 63819.45454 104457.1555 73790.51244 60216.57856 143122.1736 88138.62716 53772.06114 68850.21672 84442.6674 95636.92 130175.7352 66925.55226 114674.4416 82834.78757 85873.46132 175546.1219 171901.9983 250353.9052 111362.9362 252044.3317 110802.4767 139273.02 183540.3852 81517.78946 114361.6441 160935.2165 125724.9925 173819.6281 126409.8051 206999.1248 72978.69784 218454.8102 37214.18636 Threonine 10.153 peak area 31701.66601 17668.62255 31583.75629 24447.77013 21656.98647 25821.63566 18129.37525 34164.20905 18841.42778 23773.87349 17450.78295 25340.85664 24525.99431 25313.85097 40046.45107 26067.58242 19076.95525 23965.75465 37069.74938 38367.64044 20379.24013 36391.29269 37121.84346 46336.739 48776.76245 34565.52497 42246.17905 44880.00697 96742.06913 47825.33097 45336.48545 77849.81694 75951.65188 61630.24951 49146.60458 28099.48073 13697.51737 29584.29192 24557.77297 22287.97982 50960.12601 35561.4905 20687.02826 32839.5813 19468.57684 18617.36642 32685.2526 33114.59766 31784.71883 30134.63577 33312.71426 30483.71999 55114.57163 31556.72339 30659.43432 54704.97517 33349.75669 69902.86802 37616.38629 76134.24728 36436.62217 58518.66007 62237.69201 60638.03987 26550.19107 43591.40632 34564.51442 35119.54127 30202.58248 62090.82803 35054.69075 37623.35995 25158.97812 53881.38338 30127.94329 Isoleucine 8.533 peak area 37496.30984 21823.4838 12318.56623 21244.47535 26771.07828 25221.54736 22320.76942 21965.33804 22686.21262 35842.23519 19069.55688 22276.56427 18917.19059 36785.47684 34027.97218 24415.60316 24227.93155 37075.53153 34147.57854 38830.41681 22303.19998 32996.37668 40582.98677 36165.17058 33200.01128 53372.27443 42556.91973 39705.73757 47031.39334 28737.68581 49627.94477 33484.31983 44935.73935 27931.66224 60875.01564 75587.26696 18835.73391 29790.87129 22862.94854 26884.56451 35006.42043 36860.5666 17096.10975 14678.81497 18406.50542 23256.73097 34327.91498 41466.21251 25475.19461 23538.48789 32189.99352 27023.59094 47235.3143 28098.58316 29327.22986 36584.12375 27947.39876 36240.34035 55894.46857 44973.3754 53666.45191 53628.3375 27788.64543 41377.89868 62635.38127 17326.77139 38363.74299 33171.7538 40966.39603 53621.9368 25593.0654 47485.79442 23635.43658 41761.22876 14767.31683 Tryptophan 20.331 peak area 30834.63536 31389.09194 21604.54366 32045.44207 35471.25228 62623.36602 34267.16548 36889.5675 34870.48078 70388.27937 27562.70809 46442.04467 29510.0457 74249.56043 62766.49104 74625.72622 31422.18769 73137.9991 64507.25875 62496.91767 33173.19411 68376.83089 65040.86223 66050.67493 53328.37046 74506.45576 69778.55462 94850.26411 168094.8369 54566.51245 65269.50743 105339.4629 95392.29781 101829.672 105926.9994 505.8617637 22234.43163 40744.92956 33623.32275 47085.43107 67355.00866 76693.09406 51014.32852 68397.00631 27237.48859 49952.17808 66925.76758 94363.11972 33641.49455 46207.04815 59821.25398 45916.30454 97069.87822 58486.63123 46887.74781 107215.5132 47159.86693 110125.795 72887.01764 115086.9431 65937.30397 88543.28915 97304.78559 87410.74491 72687.9005 56317.51745 79930.44912 107398.1138 80857.39347 81933.43941 70524.77415 112452.0914 58988.07971 98886.23271 39538.12777 Methionine 11.754 peak area 5186.624922 3219.234356 4975.057966 3180.180928 2952.693359 5866.15486 4215.995823 4124.169587 3755.851423 5263.989446 3882.012912 4384.174016 4644.300657 4803.468127 6942.42728 6746.085603 3163.377833 6683.116714 10445.50091 7294.564024 2686.329636 10075.22248 7554.819627 6308.839549 7000.731454 6981.431314 8506.789907 7617.031089 25595.56541 8441.193443 8210.265456 18072.68416 13105.06194 14656.94059 9773.129819 5991.022532 2371.990077 5243.363172 4144.960065 6492.7996 7305.816577 6818.907853 4942.865857 7176.289045 3634.649203 4480.29897 8864.022826 8094.260035 3937.208637 5405.487591 6598.755591 6456.682785 9849.044575 6786.403454 5083.782071 13373.65194 6087.5069 12673.76868 7678.627231 12775.25575 6719.621767 11406.61358 10871.29182 10442.12677 5905.487008 9310.420695 7486.569214 11162.94571 7994.522938 14544.66516 7406.707338 8073.955408 6502.360739 8004.384098 7095.756898 METABOLITES_END #END