#METABOLOMICS WORKBENCH stephensondj_20230911_122824 DATATRACK_ID:4302 STUDY_ID:ST002858 ANALYSIS_ID:AN004684 PROJECT_ID:PR001789 VERSION 1 CREATED_ON September 13, 2023, 3:17 pm #PROJECT PR:PROJECT_TITLE Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells PR:PROJECT_TITLE in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I PR:PROJECT_TITLE dose-escalation clinical trial PR:PROJECT_SUMMARY SUMMARY This is an open-label, first-in-human, dose-escalation phase I study PR:PROJECT_SUMMARY (NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety, PR:PROJECT_SUMMARY and tolerability of the transplantation of allogeneic human neural PR:PROJECT_SUMMARY stem/progenitor cells (hNSCs) for the treatment of progressive multiple PR:PROJECT_SUMMARY sclerosis. We report the analysis of 1 year of data from the first cohort of 15 PR:PROJECT_SUMMARY patients from two trial sites that received increasing numbers of allogeneic PR:PROJECT_SUMMARY hNSCs delivered via intracerebroventricular injection in combination with an PR:PROJECT_SUMMARY immunosuppressive regimen. No treatment-related deaths nor serious adverse PR:PROJECT_SUMMARY events (AEs) were observed over the 12-month follow-up. Participants displayed PR:PROJECT_SUMMARY stability of clinical and laboratory parameters, as well as lesion load and PR:PROJECT_SUMMARY activity at the brain MRIs, compared to study entry. Longitudinal metabolomics PR:PROJECT_SUMMARY and lipidomics analyses of cerebrospinal fluid and serum from these patients PR:PROJECT_SUMMARY identified time and dose-dependent responses, with increased levels of free PR:PROJECT_SUMMARY fatty acids and acylcarnitines in the CSF, especially at the highest dose of PR:PROJECT_SUMMARY injected hNSCs at the one-year follow-up time point. Finally, a significant PR:PROJECT_SUMMARY inverse correlation was found between the highest dose of injected hNSCs and the PR:PROJECT_SUMMARY smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03), PR:PROJECT_SUMMARY clinical covariates that correlated with CSF levels of free fatty acids, PR:PROJECT_SUMMARY acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and PR:PROJECT_SUMMARY deamination products, such as hypoxanthine. The absence of AEs and the stability PR:PROJECT_SUMMARY of functional and structural outcomes is reassuring in terms of risks and PR:PROJECT_SUMMARY represent a main milestone to rigorously address the challenges for the safe PR:PROJECT_SUMMARY translation of key principles of stem cell biology into effective regenerative PR:PROJECT_SUMMARY medicines. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:DEPARTMENT Department of Biochemistry and Molecular Genetics PR:LAST_NAME Stephenson PR:FIRST_NAME Daniel PR:ADDRESS Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA PR:EMAIL daniel.stephenson@cuanschutz.edu PR:PHONE 303-724-3339 #STUDY ST:STUDY_TITLE Intracerebroventricular Transplantation of Foetal Allogeneic Neural Stem Cells ST:STUDY_TITLE in Patients with Secondary Progressive Multiple Sclerosis (hNSC-SPMS): a phase I ST:STUDY_TITLE dose-escalation clinical trial - Metabolomics Analysis of Human Serum ST:STUDY_SUMMARY This is an open-label, first-in-human, dose-escalation phase I study ST:STUDY_SUMMARY (NCT03282760, EudraCT2015‐004855‐37) to determine the feasibility, safety, ST:STUDY_SUMMARY and tolerability of the transplantation of allogeneic human neural ST:STUDY_SUMMARY stem/progenitor cells (hNSCs) for the treatment of progressive multiple ST:STUDY_SUMMARY sclerosis. We report the analysis of 1 year of data from the first cohort of 15 ST:STUDY_SUMMARY patients from two trial sites that received increasing numbers of allogeneic ST:STUDY_SUMMARY hNSCs delivered via intracerebroventricular injection in combination with an ST:STUDY_SUMMARY immunosuppressive regimen. No treatment-related deaths nor serious adverse ST:STUDY_SUMMARY events (AEs) were observed over the 12-month follow-up. Participants displayed ST:STUDY_SUMMARY stability of clinical and laboratory parameters, as well as lesion load and ST:STUDY_SUMMARY activity at the brain MRIs, compared to study entry. Longitudinal metabolomics ST:STUDY_SUMMARY and lipidomics analyses of cerebrospinal fluid and serum from these patients ST:STUDY_SUMMARY identified time and dose-dependent responses, with increased levels of free ST:STUDY_SUMMARY fatty acids and acylcarnitines in the CSF, especially at the highest dose of ST:STUDY_SUMMARY injected hNSCs at the one-year follow-up time point. Finally, a significant ST:STUDY_SUMMARY inverse correlation was found between the highest dose of injected hNSCs and the ST:STUDY_SUMMARY smaller parenchymal brain volume change (PBVC; Spearman’s rho= -0.7, p= 0.03), ST:STUDY_SUMMARY clinical covariates that correlated with CSF levels of free fatty acids, ST:STUDY_SUMMARY acyl-carnitines, oxylipins, conjugated bile acids and purine breakdown and ST:STUDY_SUMMARY deamination products, such as hypoxanthine. The absence of AEs and the stability ST:STUDY_SUMMARY of functional and structural outcomes is reassuring in terms of risks and ST:STUDY_SUMMARY represent a main milestone to rigorously address the challenges for the safe ST:STUDY_SUMMARY translation of key principles of stem cell biology into effective regenerative ST:STUDY_SUMMARY medicines. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Stephenson ST:FIRST_NAME Daniel ST:ADDRESS Research 1 South L18-1303 12801 E. 17th Ave., Aurora, Colorado, 80045, USA ST:EMAIL daniel.stephenson@cuanschutz.edu ST:PHONE 303-724-3339 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #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 1151 DS1-123-002 TIMEPOINT:START RAW_FILE_NAME=DS1-123-002+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-002-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS CP101 DS1-123-004 TIMEPOINT:START RAW_FILE_NAME=DS1-123-004+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-004+pos_lipidomicsSerum.mzXML; 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RAW_FILE_NAME=DS1-123-107+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-107-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1181 DS1-123-108 TIMEPOINT:FU6 RAW_FILE_NAME=DS1-123-108+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-108-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1194 DS1-123-110 TIMEPOINT:REND RAW_FILE_NAME=DS1-123-110+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-110-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1194 DS1-123-112 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-112+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-112+pos_lipidomicsSerum.mzXML; 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RAW_FILE_NAME=DS1-123-149-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-149-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1151 DS1-123-150 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-150+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-150-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1178 DS1-123-151 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-151+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-151-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1219 DS1-123-152 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-152+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-152-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1228 DS1-123-153 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-153+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-153-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1219 DS1-123-154 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-154+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-154-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1249 DS1-123-155 TIMEPOINT:FU3 RAW_FILE_NAME=DS1-123-155+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-155-neg_oxylipinsSerum.mzXML SUBJECT_SAMPLE_FACTORS 1228 DS1-123-156 TIMEPOINT:FU9 RAW_FILE_NAME=DS1-123-156+pos_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_metabolomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156+pos_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_lipidomicsSerum.mzXML; RAW_FILE_NAME=DS1-123-156-neg_oxylipinsSerum.mzXML #COLLECTION CO:COLLECTION_SUMMARY lumbar puncture for serum and CSF collection (stored at -80°C) CO:SAMPLE_TYPE Serum #TREATMENT TR:TREATMENT_SUMMARY A total of 180 candidates volunteered between September 26, 2017, and January TR:TREATMENT_SUMMARY 13, 2020. The study was conducted in three centers. Two Italian centers, the TR:TREATMENT_SUMMARY ‘IRCCS Casa Sollievo della Sofferenza’ Research Hospital (Site 1) and the TR:TREATMENT_SUMMARY ‘Santa Maria di Terni’ Hospital (Site 2) recruited patients and performed TR:TREATMENT_SUMMARY the MRI examinations. The Multiple Sclerosis Centre of the Neurocentre of TR:TREATMENT_SUMMARY Southern Switzerland (Site 3) performed the magnetic resonance imaging (MRI) TR:TREATMENT_SUMMARY analysis. The ICVI of the ACT was performed at Site 2. Screening was done one TR:TREATMENT_SUMMARY month prior to enrolment in the study. The run-in period started after the TR:TREATMENT_SUMMARY screening examination (Run-in-START) and lasted three months (Run-in-END). After TR:TREATMENT_SUMMARY screening in the two recruiting centers (as above), n= 15 subjects with active TR:TREATMENT_SUMMARY and non-active SPMS suffering from progressive disability were found to be TR:TREATMENT_SUMMARY eligible, consented, and were assigned a unique identification number. TR:TREATMENT_SUMMARY Participants, nine females and six males, had a mean age of 50 years (range: TR:TREATMENT_SUMMARY 38–57), and were recruited in similar proportions by the two study sites. The TR:TREATMENT_SUMMARY mean EDSS was 7.6 (range 7–8), mean disease duration was 23 years (range TR:TREATMENT_SUMMARY 14–30), and mean time from diagnosis to secondary progression was 10 years TR:TREATMENT_SUMMARY (range: 1–20). The hNSC-SPMS study was advertised using the website of the TR:TREATMENT_SUMMARY hospitals and social media (eg Facebook and Twitter). The first patient TR:TREATMENT_SUMMARY selection was performed based on the documentation provided. Selected patients TR:TREATMENT_SUMMARY were then summoned in Site 1 and Site 2 (as above) for a first pre-screening TR:TREATMENT_SUMMARY meeting with the clinicians. Patients who agreed to participate were then TR:TREATMENT_SUMMARY subjected to the screening visit for the clinical trial. Following the surgical TR:TREATMENT_SUMMARY procedure, follow-up visits were performed monthly up to 12 months. Before TR:TREATMENT_SUMMARY transplantation, all patients underwent the following examinations (at both TR:TREATMENT_SUMMARY Run-in-START and Run-in-END): physical and neurological exams; vital signs; TR:TREATMENT_SUMMARY pregnancy tests (in fertile women); haematological and urine tests; lumbar TR:TREATMENT_SUMMARY puncture for serum and CSF collection (stored at -80°C); #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of metabolites and lipids from serum and cerebrospinal fluid (CSF) SP:SAMPLEPREP_SUMMARY was as follows: 40 µL CSF or serum was aliquoted into 2mL deep well plates SP:SAMPLEPREP_SUMMARY followed by an addition of 360 µL cold MeOH:MeCN:H2O (5:3:2, v:v:v). Plates SP:SAMPLEPREP_SUMMARY were then placed on a shaker at 4°C and plate shaker was set to 400 RPM for 30 SP:SAMPLEPREP_SUMMARY minutes. Insoluble material was pelleted by centrifugation (4000 RPM, 10 min) SP:SAMPLEPREP_SUMMARY and supernatants were isolated for analysis by UHPLC-MS. All 96-well plate SP:SAMPLEPREP_SUMMARY pipetting was done using Integra MINI 96 (Integra Biosciences). #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Metabolomics Positive CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm,1.7um) CH:SOLVENT_A 0.1% Formic Acid in Water CH:SOLVENT_B 0.1% Formic Acid in ACN CH:FLOW_GRADIENT 0 min - 0.45 ml/min - 5% B, 0.5 min - 0.45ml/min - 5% B, 1.1 min - 0.45ml/min - CH:FLOW_GRADIENT 95% B, 2.75 min - 0.45ml/min - 95% B, 3 min - 0.45ml/min - 5% B, 5min - CH:FLOW_GRADIENT 0.45ml/min - 5%B CH:FLOW_RATE 0.45 ml/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 120 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS Software for Feature Assignments - El-Maven #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples DS1-123-002 DS1-123-004 DS1-123-006 DS1-123-008 DS1-123-009 DS1-123-010 DS1-123-012 DS1-123-013 DS1-123-016 DS1-123-017 DS1-123-019 DS1-123-020 DS1-123-022 DS1-123-023 DS1-123-024 DS1-123-026 DS1-123-029 DS1-123-030 DS1-123-033 DS1-123-034 DS1-123-036 DS1-123-038 DS1-123-040 DS1-123-041 DS1-123-044 DS1-123-045 DS1-123-047 DS1-123-048 DS1-123-049 DS1-123-052 DS1-123-053 DS1-123-054 DS1-123-055 DS1-123-056 DS1-123-059 DS1-123-060 DS1-123-061 DS1-123-062 DS1-123-064 DS1-123-065 DS1-123-066 DS1-123-067 DS1-123-068 DS1-123-069 DS1-123-074 DS1-123-075 DS1-123-077 DS1-123-078 DS1-123-079 DS1-123-082 DS1-123-084 DS1-123-086 DS1-123-088 DS1-123-089 DS1-123-090 DS1-123-091 DS1-123-092 DS1-123-095 DS1-123-096 DS1-123-097 DS1-123-098 DS1-123-101 DS1-123-104 DS1-123-107 DS1-123-108 DS1-123-110 DS1-123-112 DS1-123-113 DS1-123-115 DS1-123-118 DS1-123-119 DS1-123-120 DS1-123-121 DS1-123-122 DS1-123-126 DS1-123-128 DS1-123-129 DS1-123-132 DS1-123-135 DS1-123-137 DS1-123-138 DS1-123-140 DS1-123-141 DS1-123-143 DS1-123-144 DS1-123-147 DS1-123-149 DS1-123-150 DS1-123-151 DS1-123-152 DS1-123-153 DS1-123-154 DS1-123-155 DS1-123-156 Factors TIMEPOINT:START TIMEPOINT:START TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:FU6 TIMEPOINT:FU3 TIMEPOINT:START TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:REND TIMEPOINT:FU9 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:START TIMEPOINT:FU12 TIMEPOINT:REND TIMEPOINT:FU12 TIMEPOINT:FU6 TIMEPOINT:FU1 TIMEPOINT:FU6 TIMEPOINT:START TIMEPOINT:START TIMEPOINT:REND TIMEPOINT:FU6 TIMEPOINT:FU12 TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:REND TIMEPOINT:START TIMEPOINT:FU3 TIMEPOINT:FU1 TIMEPOINT:FU9 TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU12 TIMEPOINT:FU6 TIMEPOINT:FU9 TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:FU12 TIMEPOINT:FU3 TIMEPOINT:START TIMEPOINT:FU12 TIMEPOINT:FU1 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:START TIMEPOINT:FU6 TIMEPOINT:REND TIMEPOINT:FU9 TIMEPOINT:FU12 TIMEPOINT:START TIMEPOINT:START TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU6 TIMEPOINT:REND TIMEPOINT:FU9 TIMEPOINT:FU6 TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:FU3 TIMEPOINT:FU1 TIMEPOINT:START TIMEPOINT:FU3 TIMEPOINT:REND TIMEPOINT:FU1 TIMEPOINT:FU12 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:FU3 TIMEPOINT:FU9 TIMEPOINT:FU3 TIMEPOINT:FU9 L-alanine 3759613.25 4532093 4495344 5325072.5 2989631.75 2359403.25 4725968 3127112.75 3992414.25 3728314 3690075 5255937.5 3077729.25 5335334.5 5096681.5 4158308.25 6504336.5 4661419 4904734 5634514 3932091.25 3439228 6007894 4574256.5 5313958 420943 3520150.75 4690944 7325181.5 4701868.5 2637956.25 6319612.5 5240445.5 3072758 4844791.5 3758786.75 3632529.25 8795577 5175200 6986832 6416434.5 5297819.5 5513752.5 3245603 3804649.75 4794026.5 7249981.5 7192449.5 2903004.25 4942197.5 4041312.25 3726401.25 5786998 5437643.5 5977089.5 6175800 6877730.5 9337157 4015852 4755297.5 4546588.5 4378502 4918214 4901062.5 4746539.5 5714250.5 4101829.25 6200654.5 3446876.75 4075872 5124179.5 5162769.5 6157602.5 5505335.5 4913891.5 4743900.5 5177403.5 5281801.5 3694618.25 3637788.75 4204316.5 7105262 7697253.5 5460972.5 5802888.5 4140087 4427940 6106283.5 5404948.5 4089860 8854413 7177568.5 5957501.5 3216198.25 L-arginine 9535297 9319234 11195072 7761538.5 8978833 9334013 7403460 9020314 7826870 8579701 11138914 8389189 8675064 9745820 10070059 11761780 8859365 9227069 9843413 8303149.5 8369222.5 9562761 8064936 11243777 9607026 2855253.25 10219220 9399251 10780415 11759233 9451319 11216064 10179315 8390894 10809575 13843187 9901825 7790374 10089127 8741007 9149265 8685555 7733361.5 8782547 9559677 9405593 9699932 10341697 9574091 7623579.5 8305710.5 9606944 10062319 11026389 9332504 9170660 15722496 13308459 8350066 8539065 12465147 9151201 6948389.5 12849641 11304901 7755560 10902268 11211816 9770017 10432521 9340175 7865892 12120941 10704457 12102969 7539835.5 8237510 9804169 9242021 6658476.5 7521852 9444577 7915769.5 8821209 7931566 9091144 7444676.5 11934871 7617706 9827158 11323624 8820717 9114475 8899721 L-asparagine 204077.11 253396.58 311393 286252.22 230767.36 272593.84 260357.83 202373.88 236570.17 192421.39 236398.2 248895.5 136405.98 252083.89 241471.06 288951.84 220953.89 241117.98 322697.09 199062.42 211189.81 242937.38 256029.62 343822.41 287395.69 47195.85 275941.78 204113.45 331496.41 207519.2 168588.3 280585.38 249753.89 206768.56 222112.05 232776.05 281844.31 264556.06 236436.42 243041.64 217277.31 232229.98 183486.62 114451.63 306900.22 178175.5 234643.98 235317.95 225346.06 213028.17 258816.38 221691.42 211433.2 304987.59 261715.38 215463.12 307537.38 473842.53 243688.75 236363.5 250370 169877.75 211654.2 292650.72 298003.25 288639.72 356282.62 363411.78 165061.42 174504.38 216542.7 216323.56 301737.09 238165 272796.91 237588.86 259646.31 251813.64 245109.38 178552.27 181645.14 289572.47 277564.16 201791.83 282767.25 243679.31 194741.56 290298.75 235460.05 266927.41 207892.62 256261.58 209092.75 238207.58 L-glutamate 1988367.62 2115788 764423.81 2266678 1326890.25 1280691.38 1117691.12 1119545.88 739748.44 1542106.5 916293.81 1108892.5 740304.81 771219.81 639671.25 1256575.5 499395.16 1469572.88 1022949.25 513485.5 543451.12 362544.38 710554.06 276845.25 505055.97 525621.31 560255.81 440419.34 321592.03 1648339.88 710649.69 689013.88 429052.41 1596027.88 752250.19 1105342.75 1871474.62 412720 533446.56 797688.75 704239.94 1272488.5 1041364.25 1795413.38 1508818.12 703011 1223322.12 1819483.62 533802.19 663871.44 653500.81 2945658.25 1722272.88 620218.5 469874.84 1410928.38 1141691.75 1725986.38 1821189 1182987.12 1475584.62 1053345.5 1019629.25 597801.25 1292820 786631.69 2654363.75 957980 1481190.88 1722777 496306.66 358333.25 1069466.88 1117447.12 1690875.38 832826.5 761824.19 2076434.5 1041942.75 2266159.75 741445.19 620034 420310.41 706378.69 337154.41 915966.31 701270.25 727277 1639942 1209742.62 323053.72 858656.81 1089430.12 818193.5 L-glutamine 12022060 10089171 9902297 9541871 8839067 10502791 9245505 9160347 10469082 11366087 10382011 11134369 10370451 12345003 12061535 11512769 9223642 10583337 12763188 10111471 10114708 10493457 7454924 10997247 12664420 12721757 13106515 10598903 7568409.5 11021060 10364736 9930048 10861545 10925700 11238892 13586524 10216089 10204401 11335751 11907021 10448327 10730365 11379196 8091696 10663357 13221720 12936467 12738276 12041496 10507044 8965741 9523167 13121961 11274160 13491597 13177603 11579321 12042045 10301331 10977229 12793547 10585472 10002038 13904281 12007623 10832634 11048589 11121885 10712370 9402755 11751663 8486337 12374692 9773342 11837115 11276764 11053720 11518223 10863137 8776383 10424500 10094127 8906238 10971149 10281113 9004391 9144896 11690835 9767231 9442587 10254580 10999531 10797357 9158716 L-leucine/isoluecine 83832624 92841760 98291136 115968952 75248224 75008936 68898688 88671392 52918972 62129308 99992424 53802444 57582252 53501568 89986592 74709416 64198540 55249024 98619352 56613072 57244832 112483488 65523152 90390208 73006360 10074656 60194316 58585856 52711124 86588360 69415032 91718392 71700248 74774768 71712552 77271552 73065704 76221112 55008464 73341480 88562584 103271104 61227916 104445624 61620704 44394812 73251368 76643496 72050072 64788572 95825208 72208488 93360456 82418152 72648512 78872824 79210712 119487464 61967456 71435224 87739112 64129236 86580440 67991200 77309432 69960616 69774936 98156136 51617228 82591128 66087952 51087220 64964400 76491776 74785400 66203276 76759608 85940920 65173324 113835288 61409248 76911896 51387596 81469544 68624200 60407056 86494560 67405784 81009256 105135384 89519496 75866368 78270200 58383428 L-lysine 10893395 13520037 13617173 13685943 11644576 8970251 12017744 8856448 8977824 7070339.5 13861469 6789879.5 7639524 9851325 11639633 10625984 11819320 10483837 12099031 10130500 7922326 11777565 13604021 12599763 10463181 1401932.5 11721367 8776373 10011845 9540973 9778136 12892501 9625885 8979240 11160435 13325831 10268213 9253407 14118597 8545340 9369549 13253320 10819434 9128611 10573621 8451469 14080308 11840816 9585620 9332956 10915843 12427019 11497936 11659739 12220528 10769909 12124752 15339547 10627951 10580691 11979963 9871487 11857467 12313941 12239337 14987071 12592501 15164275 9483713 9505249 9668514 9041713 10909120 11613049 12081167 8608683 11932411 10307010 11071931 9213665 9493543 14487933 8817997 12511203 10599401 11742955 9626665 10657761 10678195 10231437 13964345 11481273 10629207 8480195 L-methionine 5199363.5 7405603.5 8008256 8106854.5 6133113.5 5720420.5 6097480 6700184.5 4694462.5 6016406.5 7687813.5 5548144.5 4124726.75 7476632 7730414.5 6886385.5 6857228 7018756 9998454 5968958.5 5867556 8369659.5 8212001.5 9210793 5992167.5 731572 6091420.5 6596622.5 8528449 6571294 5596029.5 9512368 7322730.5 5078057.5 7166778.5 5870342 5237790.5 7713258.5 6113939.5 8334070.5 8179222 8924715 6243466.5 5153355 6455086 4955955.5 8304455.5 6423111.5 6603085.5 6262025.5 6893924 5273301.5 8311328.5 7354232 5975040 5670057.5 8415036 11362589 5523909.5 5801885.5 7486627.5 6378908 6329484 8459327 7432822.5 7178314 6218953.5 9425800 6066798.5 5291745.5 6031389.5 4457464.5 7813686 7138176 8835033 5677998 7482425.5 5986865.5 6534895.5 4596099 7057276 7223240 7226206.5 7493330.5 6912586.5 6238582.5 7398172 5964106.5 6499009.5 9017159 7532209.5 8565609 7313501.5 4998043.5 L-phenylalanine 22897194 41870752 45737680 48885396 31730432 20421842 35280416 21866100 20568486 26843386 24637658 20505224 18948842 19918704 29867862 23056362 30457192 34030996 24899126 25898064 22354014 27993818 23171686 27699494 26205410 4888501.5 24378106 22084918 24004352 25589266 21318298 30765974 26417622 21699742 24232314 29055450 21398248 23006330 19666914 20993800 23272954 25778346 23873734 27083078 23298016 17044438 21578786 29732582 21064310 21241222 26010640 23214150 25362870 26542334 22847774 25895370 27892578 35719336 23782480 24366522 23045554 24394856 33072998 23706058 23941032 21938982 22308218 29334642 23025294 26678074 21865246 23335882 22582274 25007464 23546986 19716746 27650080 24724450 24660466 25355158 25049214 32301176 30827518 29310418 28464250 27621286 25504200 27966262 33451360 28154590 36810320 28201102 28467114 21732482 L-proline 59197124 46517396 47877712 49810836 36905712 45183524 54344980 35236828 26874446 60700128 42717680 66498028 21588408 35707152 66597772 60759844 73090304 55975324 51642816 58895488 27881910 38919320 54118244 46498572 97087272 239259.45 52052032 26226352 83512952 81199336 38157312 65539628 94102400 50821232 71597120 43335836 59167808 111692840 58869840 76150544 80263336 75856672 32864272 44195252 56572336 54135436 74596456 41925252 47336660 35047492 47236604 56667764 59061012 70275392 33093270 37249756 130744360 133326048 68998760 41410468 66403596 26991088 23262670 70351832 72269232 59520864 59591692 74943472 26262392 57842500 40632932 29330282 83823688 53085024 86942992 38922756 63159492 81547872 39821772 33418902 53907168 66950192 55764092 67093580 55093472 46236252 41208604 74209080 57049108 51162124 53701184 57942960 95670808 30537350 L-tryptophan 183450480 310071456 289024896 379178976 266058800 152700272 287402208 172307216 182559024 212103888 215767568 176713872 137598368 223270896 280475168 194663168 283748032 288239136 254123824 261026368 186716720 164459552 280409856 215191632 274349408 11214235 187987792 204719056 265275664 211917744 171311536 251164096 221972224 153900592 212630400 152044976 188345072 228788816 172910448 188002816 198489936 255347376 213371216 188089664 166184000 242480240 218097024 284482336 179860784 211859184 208849408 211414208 213334912 263764848 229687984 244505872 252455664 291409920 273316960 199739952 232682864 200351056 271857376 209116544 202917872 240915152 248397040 283997536 194959184 200779664 229163312 214863824 256843152 248746240 254044352 161485120 239109312 227749360 225641424 163129424 246531200 331485952 291710496 260298496 281250624 233210944 218550592 219623680 240032880 268349552 296175808 265926336 285154912 182717952 L-tyrosine 13420287 24474330 21361072 28196166 19521456 16927466 19762778 16082589 20337864 17858956 20898824 16395896 16405612 25774640 21194990 18302360 20995678 23690382 25627546 23025814 21498716 20180880 24695546 22717594 18239802 2516387 18272774 25622408 21262772 19657738 16450505 25058842 22016656 17914446 21890016 14635321 19210630 26170568 19096238 22191674 19930910 27090864 22541904 21031630 18095702 24348224 21716170 23541648 18601314 20636450 21850722 18113206 22915310 16507416 22494134 25418762 26350330 32678646 21400194 17587336 24311286 21216708 26238566 23080162 19086778 24924578 18942168 22722198 22200854 20755458 21360342 17203866 24914090 19889774 30481430 21038950 21863578 17309590 18713802 19148936 19879580 22716582 20305102 22083706 19479486 18004298 19051486 18757200 29940306 23153088 29390360 22343654 22820378 19491926 L-valine 99409128 106587808 116540312 122699032 81035256 77893432 87195112 93810264 75092896 67253864 110426792 75375696 62944132 78044104 110750592 92280056 98576536 71627976 114382872 83881208 67318856 123267608 78922376 90957440 94005600 9634621 77490296 69550376 69888280 96061280 74972704 105757032 87120840 84434024 102622888 87984600 88685288 92689696 83452544 82366760 115398696 111068320 98011160 130188328 76492536 61438112 91220616 103613888 83115048 81218144 102074200 86043752 99101592 101309280 113553512 100529344 103657024 113838464 78614680 92928232 104614776 74586408 118244200 84180968 83854424 93121880 75408640 112857384 68070824 97530024 94230528 75293936 87550240 92074776 94580248 79253264 90696096 107136072 92292736 131339544 78350544 106916296 78197176 95423168 92986312 94430184 108378080 89984440 83707552 127909544 99594232 102112768 101366656 66010508 AMP 1927.11 49274.02 3718.61 16368.64 687889.69 3356.07 232689.7 2175281.75 19545.35 358546.34 2034860.88 599732.75 469658.28 1309444.12 354296.5 29437.15 309110.41 1181242.62 2774714.25 29460.91 1454252.62 397614.22 285583.59 797850.69 920661.69 8810.17 305022.97 610437.94 365892.5 1466050.88 1088093.62 655704.62 2782375.25 438302.12 515778.5 118890.35 1244801.5 2315311.75 105804.1 1467490.12 736485.69 0 21030.62 230273.95 46579.59 5199.12 107902.93 0 3125.81 53831 710899.25 15087.67 3039.07 90593.76 10471.47 2066.33 299928.47 9154.3 728229.19 14370.59 456997.97 189193.98 10551.45 12791.35 66442.94 1990363.62 141287.14 17530.78 36823.57 1488639.62 673914.38 84384.81 4204.34 12914.36 0 3041.92 2882857.25 13802.3 132141 3186.23 1392790.62 664931.69 333401.97 3131296 187429.98 180620.7 962248 553115.88 844912.19 3089632 1981550.62 1202911.88 2083601.88 152617.89 Adenosine 30012.18 781312.69 971183.81 701216.5 3666009.25 98017.88 2600853.75 5813018.5 1026957.19 4093175 4603350 3903722 2655259.75 9285661 4099032 1551847 1393692.12 5141174.5 5281207 4025490.75 5900156 5169504.5 3549500 4527284.5 3100874 13196.54 5021461.5 5447957 5272134 8782275 5604540.5 9584791 6588716 7587262.5 4420464.5 4760680.5 5445090 6504229.5 4600539.5 6892859.5 8791007 133501.45 457497.59 2944386 2559284.25 2130065.25 5536611 1365425.88 701370.56 1301242.38 4149262 44953.46 139323.86 2224841.75 1039375.25 617745.56 8822319 18042.69 6553701.5 383112.88 7274725.5 4230586.5 87798.57 1437281 1244453 6974482.5 1801595 971944.06 2776098.75 9392297 4085931.25 5164280.5 2189632.5 242794.67 554421.56 412770 5997898 895142.75 1757576.12 22424.78 8954072 5973218.5 3575132.25 6216404 5373508 3625893.25 8649541 4482981.5 7083905.5 5477738.5 2639768.75 8464069 3821443 4076898.25 GMP 14117.97 23754.91 17723.02 34524.29 209087.06 0 179929.42 492262.75 83929.5 185093.3 537194.94 262975.06 154587.94 403370.03 188829.67 43049.75 171922.95 308946.03 645182.25 33512.44 454638.28 179551.3 160919.41 217788.19 208237.38 0 122002.88 199616.08 146815.55 332366.12 295612.19 211082.05 524315.5 170730.42 206930.92 83668.75 357292.16 464835.25 88019.6 448985.84 260941.98 0 15351.52 110040.74 80445.66 18241.36 20387.51 12112.95 0 23159.55 353742.62 17551.68 14833.51 73385.49 22953.46 0 101749 41952.67 318614.5 0 138359.81 134195.34 13431.39 27515.83 27797.11 660624.31 102970.97 10292 29336.59 435591.59 226452.8 57953.79 28543.73 12888.4 19238.18 25481.55 423318.16 20315.68 75151.95 8882.69 377233.03 214605.42 167231.36 545977.81 154952.89 105487.26 349658.09 201992.31 291899.91 523143.38 343405.28 370030.84 358287.41 64071.54 Guanosine 229846.7 627318.06 543452.94 299779.41 433636.34 446566 570511.94 577924.31 916182.25 586663.25 621578.31 420257.91 701109.31 603265.44 782051.81 663084.56 429423.53 560828.62 436517.25 718726.69 643060.81 604499.69 992053.56 618601.12 195363.52 9307.69 393523.91 568615.5 927922.94 648279.62 350712.78 1055922.75 288971.72 651132.44 547321.44 564964.5 531534.94 453897.72 776059.06 432538.84 695949.69 174929.95 253919.56 737574.94 555403.81 393087.28 696456.31 675866.06 200157.5 503754.41 950085.5 44525.66 131832.41 621273.06 637438.69 418228.03 848281.81 48819.87 997367.25 264704.22 662315.31 662634.06 217897.58 320493.72 454391.12 557051.44 793566.94 584331.31 694933.94 906613.94 516106.22 926511.69 641429.81 302448.34 238968.69 341588.91 199350.86 474203.03 278365.12 84188.79 485320.22 411578 684391.12 189423.36 610534.94 475803.66 386527.09 375083.12 633483.31 203496.81 310676.41 585637.06 165407.8 709196.75 Guanine 218931.75 325778.34 320714.53 297927.91 223232.62 250898.17 287428.88 294773.84 356159.12 272931.91 340214.81 238573.81 137821.17 300965.41 294553.88 293830.53 257485.02 297476.47 458197.84 260195.7 312498.5 333428.41 413381.84 382186.38 265136.47 35861.25 264875.09 270205.09 346095.22 305310.41 209537.27 451336.53 259466.33 321909.59 291092.78 323738.91 257397.95 352863.12 354749.38 356480.34 382045.62 391836.72 239488.88 322716.09 307604.53 212857.05 376466.72 270002.78 245795.11 247493.42 423732.66 198729.31 348411.47 257931.05 321724.41 218287.42 339194.47 468218.88 348692.88 256347.7 313262.84 256999.7 152159.95 375731.91 294763.81 331304.06 320163.25 301894.47 310824.53 394490.16 261724.67 347266.69 322962.88 274562.09 358184.03 292362.84 318122.22 232307.88 259084.17 188876.23 297519.72 256368 290324.66 290724.03 302711.34 260002.62 274220.66 244885.83 377689.72 389083.75 357575.84 338157.59 311559.66 258131.98 Cytidine 0 0 0 0 4790.09 0 0 0 0 0 0 0 0 30312.35 0 0 0 0 0 14153.94 0 0 0 0 0 109993.29 0 0 0 0 9729.4 0 0 0 0 0 0 11832.37 0 20958.66 0 0 9188.47 0 0 0 9597.3 23606.91 0 0 0 17779.21 0 0 22657.69 0 0 0 0 2165.58 11864.19 0 14507.57 19806.1 15958.71 0 10073.25 22604.43 0 0 0 0 0 0 13304.88 21214.37 27385.27 0 0 0 0 0 0 0 0 23498.27 0 14535.98 0 0 14055.11 0 25192.39 0 IDP 0 71060.2 0 63012.09 54094.35 10253.68 50300.07 57231.84 104196.56 56926.33 18633.08 16326.51 61206.44 40438.64 86182.89 14801.82 150254.62 30567.53 54229.85 71377.71 49024.72 94768.52 82007.46 207348.89 177869.31 1972473 28932.92 61685.41 69065.19 0 71691.22 0 132878.44 0 60152.8 57970.09 0 22168.03 110465.37 22524.56 36782.68 0 74651.35 0 0 16265.24 0 38303.36 81983.89 47903.25 23131.67 20391.02 171123.23 23214.44 105757.66 0 14364.99 28717.07 17674.05 22392.14 32123.81 50695.55 21359.65 127475.76 30248.05 43685.57 0 13744.39 58685.28 24216.36 21583.79 104056.38 136502.64 15939.75 49938.69 64381.3 19006.59 23699.07 81880.59 27876.67 66200.23 14978.39 160648.59 50759.34 176632.62 86673.79 107785.02 0 22934.15 51931.09 51730.29 51441.64 92594.96 58906.5 IMP 0 0 0 0 0 7615.01 0 0 0 4973.7 0 11648.82 0 0 0 0 0 0 0 0 0 0 0 8408.56 0 60149.89 0 0 2349.5 0 0 0 2334.27 0 0 0 10675.21 0 0 0 0 0 0 3708.66 0 0 0 0 9482.9 0 0 0 13109.28 0 16602.9 0 14347.47 0 2866.28 0 0 0 6424.72 0 0 0 0 0 0 0 0 0 0 0 0 25394.42 0 0 0 0 0 0 0 0 0 12187.92 0 0 1990.71 49311.86 0 12810.87 0 24470.82 Inosine 249833.08 1308891 739137.81 569324.31 1079367.88 448230.28 1693120 1901788.38 1731134.62 1311784.12 1944786 968415.94 1701474.5 1196802.12 1723453.38 1038074.31 1495571 1255424 998522.5 1202048.38 1702555.62 1379082 1913593.12 1461976.62 707287.5 62928.28 767156.81 1139607.38 1835225.12 1271777.12 761478.25 1730903.12 779055.5 863464.81 1407964.88 900225.19 1110697 1403845.5 1049028.62 1109781 1815958.88 216563.5 389274.59 722137.56 790734.94 521503.34 944825.94 560563.94 358279.09 679541.56 1399621.5 109763.52 274445.53 937724.69 695683.06 294475.84 1750662.5 60499.24 1330512.62 482719.66 829709.19 860623.69 280246.03 794238.75 505291.91 782908.69 933462.56 607638.69 1133056.12 1252571.62 1353037.12 1660428.62 1305605.38 239359.33 175045.38 415703.84 537705.31 487794.75 470531.25 79990.2 973577.19 650484.25 675866.5 501162.47 614341.69 456536.88 1364527 674910.56 1145672.62 867426 861869.81 1209077.12 542608.31 1058313.88 Hypoxanthine 1673369 2713754.5 1624615.38 2324056.75 1566449.5 1429208.38 2684554.25 2996187.75 3371553.75 2756530.5 3596241 2111266.75 2590593.25 2246974.25 2776923.75 2164672.5 2240066 2054985.62 2310080.25 2223695.75 2585156.25 2383389.75 3752356 1801493.62 1491177.62 511554.09 1409370 1742750.62 2789023.25 2417907.5 1444692.12 2875322 1389176 2324283.25 2706878.25 2598368 2321097.25 2369669 2453772.5 1970638.5 3250557 2832316.25 2684265.75 2975886.25 1640908.38 1031143.69 2610659.25 2079393.12 1552337.38 1890202.62 2826500.25 2765042.75 2258810.25 3120734.25 2384881.25 1449711.5 3355396 3296192 2354053.25 2001791.62 2781268.25 1960892 3236383 2192000.25 1988150 2375034.75 2366352.5 2275191.5 2057962 2693771.75 1979315.62 2690943.75 2885361.75 3048748 1157554 1803343.62 971256.44 1983978.38 2516795.75 2563687.25 1623761.5 2253783.75 2616866.25 1018257.81 1895893.62 2023180.5 3019702 1584781 2093605.38 2304223.75 2072721.5 3051846 1482524.38 2197595 Xanthine 105762.93 121012.96 129799.73 175691.17 60790.76 106990.54 136725.98 140019.81 187748.55 133765.84 72617.37 90302.1 157833.12 164627.52 157239.48 84322.43 101117.21 54105.14 94349.03 261977.64 81004.12 93058.49 156246.44 71287.45 210791.25 355866.72 57178.97 97168.9 93697.46 129183.09 54496.11 81724.3 148134.7 210457.08 169525.48 135487.14 123019.19 129049 113944.63 133381.59 115572.7 396626 408460.38 198104.95 103716.73 119253.7 171015.98 208841.8 262107.06 235012.36 135222.62 419991.16 442507.16 211988.67 198643.36 163570.3 168517.53 363335.41 131156.73 274967.41 216351.58 210313.7 280984.09 266621.84 158064.73 137583.95 178612.83 270345.16 161003.83 107839.98 96097.4 118508.98 250510.77 326653.84 140296.77 219352.3 16313.49 148697.39 260974.86 246170 71484.5 126068.73 131946.02 20665.55 100512.24 241543.27 127084.79 30340.72 91580.35 110948.87 97606.82 205126.44 93853.56 155699.14 Allantoate 1611226.62 1375411.88 1835678 1515832.38 1251639 1433073.38 1015049.19 1145933.75 897030.81 1197573.25 1021033.94 1312800.88 826744.19 934625.19 1273047.12 1431673.12 1399514.88 1116445.5 1195431.88 1113094.75 874620.5 1204653.25 1154303 1116624.88 1296790.38 122732.12 1219460 876286.94 1042567.81 1241931.62 1079658.88 1647752 1282372.62 1377077.12 1286621.12 1516022.12 1425544.88 1293924 1375068.62 1016456.5 1380867.62 1651892.88 1096740.62 1210979.38 1305919.62 902478.81 1386832.12 1172666.5 1001996.81 1193711.5 1158142.88 1865198.62 1195722.38 1105801.62 1210104.62 1371722.12 1604180.38 1887035 1486462 1400221.12 1473633.62 1109437.25 1446837.62 1060709.12 1430842.62 1285799 1676156 1737010.5 1122952.62 977876.75 1122783.12 924773 889208.56 1279063.38 1594911.12 1385168 1081536.38 1504191 1430319.5 1475635.62 1132926.38 1245973.62 1221480.38 1149433.62 1326038.38 1460887 800007.75 1496854.5 980479.69 1163417.5 1003257.25 1063111.12 1192787.88 611315.19 5-6-Dihydrothymine 7254698.5 1545657.62 3406266.75 1550740.62 1239561.88 2962951.25 1734870.62 1804176.62 1123952.62 1727405.5 1798603.12 4093757 1707667 1496217.5 2133316.75 4209964.5 2339432.75 843954.19 1781816.38 2363464 1709744.38 769041.81 1245203.38 1483702.88 1812240 235980.86 1249591.25 1832547.38 1593781.12 2399373.25 1380430.25 2004041.62 2132069.75 1842524.88 1733861.88 1005612.81 1584448.88 2092549.12 772414.31 2171022 1657102.62 2543519 1345127.12 2797576.75 4202750 1061339.62 2245602.75 2163228 992911.25 1128411.88 2472978.25 3010186.75 1229250.88 3485979.25 1806370.88 2735196.25 4581254.5 3449388 2073194.38 1093377.5 2772102 2617369 2417748.75 1033055.25 4876955.5 2727207.25 2365124.75 2961012.25 1731682.38 2247949.25 1078374.75 2010000.88 885337.25 4000277.75 1059044.5 1141116.62 2499424.25 2570069.75 1079367.38 1021559.5 834817.44 4964599 1208406.38 3070162.25 1170553.38 1241780.88 904204.69 3402115.25 835023.69 1898029 1043191.5 1524566.5 2017661.88 1364276.38 Pyridoxal 63759.66 50666.28 23492.88 45746.91 28061.84 22648.49 55512.68 51442.21 26259.27 57033.58 48832.38 101429.15 52582.33 50534.39 69665.76 39535.11 52525.04 70365.65 34199.38 64263.22 29136.47 31248.08 41952.8 59231.57 37997.97 86404.95 83294.81 39814.37 55729.59 86245.16 44157.28 26584.08 42208.25 50226.81 89953.99 61936.81 35005.71 40810.45 44829.78 43785.42 29965.73 122301.8 88779.44 90247.62 82201.77 47419.32 142317.94 69137.23 62859.27 61924.75 43348.62 60806.66 51795.21 58711.75 59106.64 47095.91 229580.55 288328.31 73315.12 23074.21 52202.96 74958.41 56642.5 94090.91 193209.39 38092 64402.98 277281.53 40094.21 49951.72 64761.19 70831.74 41850.46 68945.37 936239.81 56151.21 25775.55 41137.57 41533.84 53541.89 56082.77 60763.83 43893.96 54489.95 51177.8 61354.41 56062.42 68364.44 118074.75 80121.27 56466.05 75607.29 31255.5 22594.11 4-Pyridoxate 201297.42 82294.71 95999.22 128028.38 146513.25 126812.63 90474.66 107724.5 127420.16 105099.27 89970.52 75212.2 129146.97 98575.84 106030.46 127017.6 126370.26 103414.7 65662.6 113575.96 101367.32 56743.26 99258.71 85001.63 145223.8 83493.52 109279.34 117376.59 100048.45 65796.76 66298.38 123636.2 91780.54 70891.55 86276.24 96371.96 136851.45 40783.62 106260.78 84792.32 94258.76 89243.02 91312.16 166877.27 110710.84 63227.82 53041.43 84411.57 108257.19 60909.05 91788.59 77779.28 175255.38 66580.49 137675.23 149727.83 92872.88 72446.68 51537.32 88790.47 74527.08 171641.42 305279.16 188505.52 116610.49 111724.71 80305.59 137650.27 76373.63 146126.33 69888.41 113693.62 126117.48 133102.25 208475.42 62525.08 112382.04 135238.56 120659.7 141055.88 95358.38 316906.03 98062 108893 139167.69 140135.66 131158.38 119179.91 93300.57 159902.03 127242.23 96403.49 125061.84 131493.69 Nicotinamide 180483.2 254467.11 194263.75 288275.22 103720.85 143217.67 246415.5 97754.88 200538.45 135736.75 166110.42 127501.12 80116.98 127183.48 147756.73 125769.1 171280.56 125927.26 134994.7 154854.14 121827.91 113126.1 121183.47 76965.9 252164.45 39063.66 70315.36 87919.98 86973.34 160941.12 70449.78 92212.94 139922.45 234994.92 118210.48 132680.59 253704.23 80821.49 139652.92 150983.45 112285.38 167132.12 325886.09 108782.66 167274.19 81999.72 124378.31 123206.29 342268.28 149787.56 155122.33 150350.89 405933.66 142131.36 156042.5 87585.2 110862.91 151617.02 107126.66 274315 140998.12 111591.01 242641 306179.66 174959.69 652250.75 199962.33 224487.45 135515.95 114596.25 220430.36 111670.7 136520.73 279386.5 123809.5 157977.27 78350.32 243288.95 276430.22 173590.58 142058.84 258736 138081.42 87368.46 190680.23 127556.09 274246.38 127154.25 212861.42 259759.95 215519.55 335403.25 152662.61 138607.73 Maltotriose 160761.17 195002.94 186045.25 164746.77 1021242.69 332826.44 294167.91 296596.97 223318.5 194663.25 150222.61 227988.14 175713.27 179885.12 161920.61 169243.52 202836.52 596040.69 208807.12 202011.31 333522.62 217393.33 237300.64 251593.95 232657.5 327781.75 186875.64 219408.05 443523.16 283898.22 524613.81 236070.08 406526.22 340964.38 323625.53 309287.28 172604.17 316169.84 246761.81 251431.33 251199.12 245264.48 242021.81 264508.72 239870 273958.22 254214.33 194697.56 233134.42 406843.84 488920.38 330874.81 269926.53 260972.69 302183.25 279675.88 223783.88 203224.75 674128.75 148772.94 202038 310301.25 238329.98 201608.95 581307.81 164009.25 490473.38 185954.83 643945.06 228412.5 201464 187203.23 185088.12 205472 186128.69 224191.02 254427.05 282966.34 270864.56 200366.62 195339.08 251231.05 291223.34 390842.25 214340.62 277435.59 334676.62 229544.3 276254.88 233347.31 248868.55 269748.66 204496.89 471729.88 2-Oxoglutaramate 3728.72 2847.18 1748.32 2865.73 3998.09 1191.92 4261.63 1982.62 22465.59 2540.06 2010.08 4489.57 4043.1 9557.41 1903.78 1788.39 3302.07 2294.79 3367.85 4250.52 2919.32 5288.59 2606.58 3562.42 3081.33 96797.56 4367.89 17725.29 4635.85 3685.4 3287.27 3830.66 3829.38 3875.39 3145.22 2257.83 1560.08 2072.6 1558.78 4662.16 1959.06 4087.61 20493.96 0 4460.01 3718.73 2373.85 3589.78 4068.79 5987.68 1929.93 2381.03 6497.55 3644.2 16451.91 2630.86 27569.37 28502.86 3517.71 7614.47 1656.03 3491.04 3868.33 4424.98 9927.98 4887.14 1808.46 2368.52 4328.27 4029.49 1717.57 3993.76 41441.16 2023.03 4722.41 1997.94 2101.74 4440.63 3797.65 1850 7208.2 11641.33 4174.47 20031.48 0 3542.66 4046.49 4051.16 2102.42 2252.33 4151.07 4829.85 1793.27 2778.8 Glutathione 0 4756.4 2018.01 2272.71 0 11141.67 3490.65 3002.57 19992.7 33478.06 12753.7 1639.61 2645.08 0 22288.13 0 1511.6 2726.49 0 19991.02 3391.16 26115.81 39380.5 1635.43 14275.41 9459.09 0 0 24452.52 0 0 0 11172.96 1668.26 0 0 8292.76 5573.53 0 2081.64 10297.79 0 11457.85 1671.76 1802.3 2254.05 17394.1 0 55369.81 3137.72 23095.42 15588.58 0 1552.86 32602.45 26971.55 5558.33 0 9419.72 3622.32 2854.03 21836.61 10372.43 1839.56 21644.6 29026.49 0 0 9182.23 0 1698.4 1720.15 0 25100.73 19512.37 2631.56 0 2035.94 14612.65 0 0 0 2051.82 1703.11 0 3068.23 2681.39 0 8376.45 0 0 2749.38 3326.02 3223.19 5-Oxoproline 3820590.25 3569844.75 3304868.25 3554402.75 3139800.25 2442353.75 3305289.25 2906784 2530762.25 2655070.25 3247640.25 4045448.75 2419557.75 4597580.5 2794608.25 3550536.25 3219764 2366305.5 3810193 2222763.75 3085126.75 2406249.75 2588788.75 3211270.75 2894650.75 4075362 3331369.75 3306000.75 2743170.75 2804533.75 2483581.75 2316520.75 2850593.25 2601490 2849231.75 4514267.5 2643659.75 2404059 3706285.25 3934022.75 2467755 3628898.25 2829069 2765740.75 3219329.25 2873706.75 3320647.25 3371013.75 3698666 3028487.25 2544680.75 2445529.5 5415870 3555076 3448444.75 4214480 3699792.75 4163500.75 2507735 3430268.25 3708251.25 2734920 3411068.75 4949396.5 2700512 3616150 2646085.75 3776112.75 2603904.75 2858351.25 2827883.25 2877344.75 4484246.5 3408255.25 3669702.25 2484196 2410241.5 2886388.25 2650589.75 2997946.75 2364834.25 3465022.25 3276475.25 2390053 3240501.25 3143186 2289842.25 3694013.25 2940248.75 3560986.75 3623184 4428739.5 2920563.75 3095195 gamma-Glutamyl-Se-methylselenocysteine 755332.94 681493.38 318903.16 569802.12 683760.69 777374.75 564570.31 610891.81 326382.03 475987.03 603554.19 670394 324385.12 514083.38 466674.75 474611.66 509087 459480.25 590582.5 410425.66 495258.22 483990.5 431843.25 656598.81 729042.06 27323.16 507071.75 463235.41 523938.53 620801.19 670092.38 539282.19 532629.56 239549.12 676354.81 675960.75 583754.56 701994.31 489666.09 326146.56 521121.03 590587.81 394246.97 418525.09 775006.5 504179.62 212711.92 661666.5 398032.72 454030.22 672248.19 707765.5 419372.91 378079.75 218954.8 238560.69 591976.69 1013681 243356.44 734870.94 551686.44 682288.5 246117.44 160290.39 487722.75 660232.81 915756.56 605937.81 637690.06 340785.53 592273.19 307134.91 178690.23 205474.11 797755.69 729822.69 443694.91 253858.44 269749.84 790190.19 576212.44 617498.06 359596.66 606590.44 442106.09 451251.59 157218.48 574917.69 377289.75 371785.25 385723.28 381706.16 607817.62 549046.31 gamma-L-Glutamyl-D-alanine 232550.14 346732.81 328520 402532.97 326696.12 220154.8 414711.38 188319.12 225335.95 384367.47 290016.59 349445.12 155574.17 391081.88 290062.09 299800.28 406962.72 432231.91 385682.66 406635.47 254309.67 254516.81 504831.09 337942.34 227285.86 45775.98 213518.52 245699.05 676292.88 221047.33 187479.64 419964.75 427027.91 287872.09 247005.5 258497.45 219688.05 833936.25 331578.59 447337.84 455838.53 421171.66 483278.41 137211.8 315769.91 384744.09 401204.91 435928.47 183902.27 360526.91 338350.25 328157.22 281065.22 467199.38 352118.47 287548.72 429102.53 739542.69 384460.09 320377.53 226965.88 339997.44 333722.66 191846.17 398352.59 401958.34 276071.41 403191.03 325162.78 151790.98 386101.38 436683.47 483004.16 436154.66 400971.72 392955.88 482158.91 294597.53 208415.11 251263.61 213742.5 434563.84 602077.06 503058.66 242346.17 201699.7 239576.05 302608.47 396516.91 211092.69 501741.5 418838.09 389530.16 187823.58 gamma-Glutamyl-gamma-aminobutyrate 122591.65 95691.9 88079.88 98307.73 52628.12 56267.57 123404.45 103216.65 26058.81 76667.86 112268.57 61796.39 105221.79 107608.56 63399 97379.77 81405.02 64633.05 134473.33 19165.38 59870.71 79845.34 112815.85 151555.36 54678.5 423786.66 69570.34 22888.35 100885.03 66308 105711.59 76038.44 77756.27 56927.91 33208.96 63484.95 71101.79 63506.64 68563.37 83173.9 60890.08 53698.18 81119.55 62947.68 50881.21 81142.79 46438.68 62120.59 121076.66 100680.66 107347.77 96896.15 142651.25 36896.52 73199.63 103303.09 67438.85 93699.66 72667.54 75145.3 105183.31 96709.91 161939.42 67855.16 63699.88 85818.34 36242.67 113770.4 88073.5 38686.53 52051.11 83202.69 94534.52 51141.09 96893.84 51451.96 46193.66 32222.28 116261.7 119328.98 71459.39 46977.2 65288.61 66859.5 40813.12 67297.76 77483.7 60573.48 39614.11 143491.08 87763.53 55324.7 65763.95 71523.84 (5-L-Glutamyl)-L-glutamine 450621.34 523791.12 556455.44 590380.75 598653.69 547096.38 650660.06 301664.84 323987.97 581170.94 475767.41 394645.91 401407.97 430351.78 517777.84 470693 514081.09 563854.44 474040.59 441047.53 397816.66 407299.09 427072.78 491620.34 617125.69 166717.7 543158.44 355501.5 331162.72 427450.84 412202.91 452132.53 547153.44 451562.5 462303.28 413122.12 347319.88 466045.59 415142.75 546175 500078.09 463323.88 502540.5 227288.67 484017.91 570262.06 468904.03 450171.34 616326 422857.34 404674.59 465023.75 644617.44 543998 704184.81 470148.16 464245.78 574615.25 470179.41 573084.5 425635.88 488801.28 496743.78 501590.09 442315.72 389826.66 567306.94 584840.88 448729.88 335635.62 495673.09 396352.12 470995.53 512654.97 539154.56 555983.44 412042.84 399387.22 341467.53 434978.28 387957.75 367659.41 332882.03 431171.91 342483.19 371980 339013.62 421365 517330.41 215962.3 405289 418124.97 357311.78 431706.59 L-Homocysteine 170581.64 176308.38 119446.4 221127.56 209352.25 169500.61 156709.86 338833.69 110812.4 258305.8 258354.58 176320.05 121438.84 297782.41 285746.62 137393.62 282475.34 192578.55 385268.38 170331.72 147954.39 235119.08 127170.44 244087.02 324094.16 38038.47 239429.88 189329.88 211689.23 206443.17 159642.64 142361.92 365147.03 189859.12 249209.08 247115.5 202690.42 254970.75 174443.98 379193.09 226358.25 232985 198561 204980.95 301251.69 177377.75 234124.94 339157.84 341458.97 211759.98 113007.41 124543.94 390828.91 183727.89 237306.61 212211.38 253191.2 260227.95 158649.19 171198.31 245110.33 182472.45 224390.06 217736.62 283194.59 199069.56 188540.45 247264.12 148133.55 136444.39 234001.06 223725.02 257784.73 177581.75 265700.91 283222.69 351764.75 269243.41 239660.92 202040.12 198623.3 206634.55 250782.58 367980.62 229910.25 288518.91 183594.52 185852.61 167099.73 335926.34 172636.25 361111.09 228294.42 136985.67 Dimethylglycine 3686701.25 3199067.75 3221517.25 3407410 2671719 2267888 2715954.75 3511714.75 2488128 2240304.75 3488552 1256762.88 2839827.75 2100819 3094612.25 2560460.25 2405112.25 1638458.88 2702290.75 1727760.38 2114720.5 3098724 1433900.5 3722465.25 1624956.62 434617.16 2360800.25 1724091.62 1571470.62 2520967.25 2610530.25 2423659.75 1815309.5 2187883.25 2024913.38 3163761.25 2034261.38 1018589.44 1407004.62 1834624 1716288.88 1494589.12 1430440.38 2162828.25 1913992 1190253.12 1238829 1399270.88 2481427.75 2005860.5 1742221.62 1394814.25 3259291.75 1319086.25 1595008.12 2582139.5 1589371.12 1278123.12 1213897.62 1620360.62 1747907.38 1425871.38 2205443 1834629 1280425.12 1634861 1241252.62 1817897.5 1405120 1620357.5 1390580.88 1562997.62 2155539 990716.56 2025434 1337623.62 848669.31 2336432.25 2097046 3124611.25 1991286.38 1498208 1638910.88 1038646.5 2666179.75 2548585.5 3651082 2336029 2302720 4288859.5 2369152 1712167.62 1388663 1547186.5 Ornithine 3432606.75 3084269.75 3227355.75 3252413 2169461.5 2479693.75 1987529.38 2116178.25 1931963.12 2116133.5 2189247.5 2606506.75 1661733 2015977.5 2821060 2974686 2925523.75 2400501 2609055.5 2138798 1704307.88 2636021.75 2553446.75 2496072.75 2728347.25 179986.92 2669142.75 1742898.62 2044553.88 2446755.75 2143030 3522209.75 2778723 2782385 2625892.75 3429552.25 3125876.25 2557151.25 2913500 2289156.25 2899441.25 3332194.75 2312795.75 2812457.25 2720492.5 1831568.5 2894037.25 2510630 1888522 2442226.75 2577058.25 4152721 2545310.25 2322662 2678309.5 2907873 3480178 4089190.75 2868619.25 2891631.25 2960791 2135020.25 3146994.25 2187856.5 2978229 2985161.75 3242114.75 3636757 2054072.5 2028984.38 2270519.75 1694120 2143836.75 2641754.5 3063680 2505764.25 2327228.25 3331150.25 3053989.25 2988192.25 2340770.75 2373488.5 2328271.75 2409304 2612561.75 3334680.75 1604585.62 3103863.25 2040080 2167129.5 2222788.25 2425113 2413481 1795721.62 L-Citrulline 1501167.88 1124871 1459111 1084539.75 942733.44 1241209.62 284450.72 985022.81 934635.81 998798.25 1327373.88 1881974 904615.81 1223355.62 1642711.5 2122727.75 1205615.12 1154702.88 1586242.12 1042831.94 947691.5 1137523.62 1091434.88 1671887 1699869.5 231132.58 1534008.62 1006910 1270494.62 1489189.62 1483767.38 1467709.38 1532190.38 993840 1462979.62 1745629 1434763.62 1466056.88 1564601.88 956419.06 876539.75 1246898.38 1303493.88 930529.81 1751650.38 1570684.38 1265334.5 1620346.88 1528831.62 1157530 1109475.38 1240399 1450891.12 1636529.12 1702762 1320003.12 1320638.12 1280428 1314635.38 1148741.12 1494970.5 1601416 1293843 1658174.5 1624228 1180732.88 1670964.62 1847327.12 1505935 1584286.62 1376827 1139632.38 1441229.12 1737188.38 1679224 1056841.38 1304389.88 1144693.12 1610933.62 1117493.75 1374986.38 1221972.5 998074.69 1386738.62 1495514.88 1484354.88 1538980.62 1770282.12 882293.44 1393385.62 1214823.12 1385323.5 1508375.62 1030060.19 Spermidine 68678.58 111476.9 135907.86 136309.5 142711.83 70994.79 107209.38 121120.09 46526.45 90361.95 106643 57668.02 81039.59 92949.79 72112.06 70853.41 96009.81 78606.15 85610.07 95065.38 128016.94 76327.47 147665.8 67167.66 90342.34 174787.95 100579.32 99169.91 105820.55 84183.48 103625.43 84798.43 100503.77 60879.94 43398.03 76323.09 77017.35 100302 58440.29 67569.27 74818.48 73461.18 83974.8 88503.66 69876.55 74648.41 90319.75 69469.62 87074.45 66173.87 101441.87 114667.02 91447.59 118386.5 73847.62 76867.55 55735.07 48576.89 91810.16 87506.88 64609.82 84917.41 119718.94 121284.29 71901.66 87734.06 70239.04 84150.63 90830.1 76044.36 66688.81 57358 75949.75 117064.6 57214.25 74274.52 82680.81 60838 131021.03 64905.82 83839.78 134988.77 98142.4 75623.02 91117.04 94820.45 79776.45 85184.27 78975.38 117916.62 124327.74 70699.68 87253.82 98248.98 Spermine 51629.3 44480.76 105198.69 73694.27 50965.39 47815.62 49977.59 29029.49 28291.14 25932.65 29208.46 43933.26 16764.37 16510.29 24348.34 21985.03 25314.62 48233.58 32050.85 42709.04 30420.38 35796.29 79355.24 23994.46 34270.79 36775.2 30281.12 36062.96 15188.25 41680.7 14884.96 17383.28 41300.63 17075.02 20625.92 11616.02 49927.53 40676.65 15843.96 12564.87 23775.24 29822.51 16165.91 39650.32 29994.86 15683.17 14345.18 28037.67 32646.16 25846.27 31470.26 42751.13 16320.75 11783.25 22852.43 16991.06 13540.33 26564.28 34729.11 15795.28 16032.9 19068.49 35665.03 32309.36 30075.78 40344.53 14097.88 30803.34 25903.41 13380.95 32167.41 18738.85 18610.83 32300.08 15158.91 13344.82 12050.83 26845.11 37430.33 41792.45 10960.53 38378.29 32948.71 12834.32 15642.86 48669.16 40692.95 17834.79 20217.73 19478.03 28374.51 36152.72 30587.81 33929.97 alpha-D-Glucosamine 1-phosphate 6868.71 12757.62 15185.56 11858.08 18528.7 11585.74 12186.09 6653.78 10775.32 26060.06 8856.03 14759.31 6736.48 9907.12 4720.37 4658.58 14014.29 7482.67 7135.06 8925.71 8100.64 6828.92 5526.23 13651.21 11708.64 52681.29 12197.65 12401.15 13204.85 17436.26 16969.58 13002.99 21539.51 3803.21 20858.08 18362.18 4924.48 7053.1 13922.49 11996.81 5126.18 4188.18 21967.05 10473.81 10082.27 11546.7 11034.08 23107.45 9835.31 24091.74 13439.58 5150.01 10745.04 23013.39 10943.56 15533.8 14111.59 9772.12 4660.21 12848.62 10383.98 10806.51 12265.57 19822.55 9959.59 14304.69 7121.39 11623.22 32097.24 4518.48 17714.02 17721.13 12951.72 17702.13 14616.18 12257.81 16060.53 9332.19 16297.1 6653.52 16940.91 31137.34 17014.61 13938.74 14081.48 12614.83 4814.24 9869.21 20169.09 27644.45 12225.67 22055.69 15149.88 12078.83 5-Guanidino-2-oxopentanoate 46987.1 11369.9 13440.6 23029.89 16500.67 1710.16 10585.89 29009.06 24143.14 21304.45 20385.49 10096.52 11751.01 13190.51 81439.53 27625.4 92095.2 56260.89 24522.88 90996.06 21685.3 14482.6 57506.73 14935.44 70453.34 72381.91 34958.64 20161.29 18441.73 33000.18 11686.41 44211.23 36671.94 21301.35 54041.13 25297.8 22613.86 2095.56 15846.15 25714.29 37030.63 57418.05 16637.15 16843.26 15910.27 1798.8 18951.03 63820.04 1375.27 16340.24 9667.98 15265.48 1980.19 25912.91 17555.01 2910.32 75723.93 73204.15 15496.09 24295.86 14686.77 1848.07 24938.89 17383.21 28225.36 40883.73 18989.71 60511.55 15193.53 28522.37 26281.59 13708.5 20858.48 53579.96 58653.41 14735.54 81332.1 24036.79 14126.71 47605.35 18139.2 26952.62 31656.5 98209.25 32003.67 19847.52 31170.74 7698.09 16126.28 51469.41 13696.09 144626.27 65006.42 14079.84 Creatine 9940093 21598176 14860317 22016742 13235408 6576032.5 13916144 49485252 14161081 9660812 7513079.5 6698062 14972901 6361696 13733468 7120408.5 13725491 15287907 5125373 14534036 9657936 21469594 13119421 22132706 6755636 16249411 13397339 13017705 11030196 7358593.5 14765768 16207699 10275364 8379110.5 12166824 16700024 8829277 7187700 19220040 5132369.5 6144706 17626398 14145487 15858677 8414163 13119605 13886159 10883171 16266640 22075702 10999436 14541880 19183450 3511238.25 11032757 17122816 9738990 20393938 12529481 14785764 8786077 7784152 17135714 16053208 9190497 12319731 15294413 15110525 7610940 9165532 15629425 11723300 18622102 3213151 20062838 15048736 4423152 9693499 15084107 20232962 19164226 5764812 16432716 4585819.5 22347362 15392640 21451574 8194604 12010996 7884990.5 15654107 7641567.5 12303801 11975360 Creatinine 11985295 17588448 24779482 18407086 23845778 14035691 16370759 9740792 9966079 14208415 10621368 12077692 10519051 10004165 15422027 13962509 19909822 13132897 11048415 16979134 13844827 7579460 16672267 9830939 16740291 30745894 10133155 13401605 16948286 19621890 9325362 19580680 13641923 13116741 15045136 7369831.5 13573561 16984972 7661929.5 19786634 16290652 14436343 13695320 18494590 15983467 9779389 13979065 13453035 11907263 9704511 19272778 19865106 10431777 24173238 17398826 10773075 18535950 18329094 18591832 8098306 15491647 14015557 19952410 12195817 18260382 16042315 14867371 22443150 14258872 17339158 10798785 18621934 9222808 21051334 7784376.5 7595078.5 16849602 18289542 13402112 9625555 11478147 25194848 15846003 20573454 14267925 14792921 10177467 19769334 12857672 11453165 12759795 10032531 17134018 14668900 4-Acetamidobutanoate 174960.19 252963.61 230740.06 249115.44 202663.44 122935.09 228764.2 155638.08 172313.86 142936.22 287951.53 268399.22 257670.44 234453.5 218161.33 171430.17 254908.14 257154.52 208688.95 275305.62 193144.48 126723.09 317409.97 186526.44 242725.33 164447.92 175710.92 157657.55 351106.75 232524.98 184607.42 220349.83 250400.88 135512.45 161660.41 169918.36 271183.62 328382.66 275406.34 288713.53 331441.91 503632.41 260313.17 124164.5 223115.39 314443 418662.97 214207.3 277274.34 279435.41 225299.17 215092.92 288727.78 214158.95 189123.02 173657.08 788646 749712 285120.38 211092.12 213212.44 151530.17 281639.88 288127.62 786387.06 274450.78 199718.62 983719 172797.7 151392.83 284487.62 235257.89 228829.61 288211.53 3471447.75 224397.25 225150.8 260893.7 198088.83 183782.39 216064.92 226152.05 259624.83 284236.56 225396.92 192979.81 246765.67 199797.17 445752.75 307055.31 476455 293742.91 299557.91 208933.25 N-Acetyl-L-ornithine 1178821.25 372393.25 510151.84 553007.25 303397.47 301376.09 431739.66 121690.12 224673.58 194499.64 1343644.38 448447.47 133388.73 268065.84 232784.27 384894.72 369368.34 532942.38 531425.69 465716.78 109568.65 232245.5 1403455.62 484740.34 170540.25 179263.5 218424.89 145553.3 528092.12 388091.53 324299.22 415437.97 180920.62 222461.86 295974.22 312592.78 478764.84 2030314.62 518747.72 453426.78 494066.09 293692.84 201561.89 425000.97 320198.28 472108.34 336426.03 737278.94 226177.31 854711.06 260160.45 449750.53 425763 429676.47 246879.31 362043.78 678988.38 728456.44 300643.5 353313.59 332338.91 169372.36 286880.59 376115.41 721065.81 425326 352219.47 604360.44 196159.11 382642.12 282076.62 686857.31 2220143.25 613211.19 606015.88 432030.25 674980.31 457293.72 133595.14 388118.84 142160.94 422334.09 201302.25 696028 167617.05 147578 151853.92 683296.5 571054.94 1265564.88 191091.11 807899.25 493111.16 77012.91 Guanidinoacetate 283545.5 228267.75 398294.16 233589.62 293542.84 211196.38 148792.08 96807.12 111260.05 278233.56 220379.06 279694.97 152609.22 337822.91 162170.19 278458.91 228966.75 232143.08 344062.69 275368 198472.61 142900.61 268897.28 162970.83 248648.27 0 205598.61 193858.7 234748.7 345853.25 170016.02 191950.62 207683.73 295162.38 249682.25 293044.12 327907.09 160572.94 160637.48 335650.41 247958.62 304037.66 256232.5 138896.73 349103.34 362001.53 378156.5 210988.25 292995.19 183063.8 197962.23 277212 391681.09 294592.28 187108.25 196995.83 246848.23 392840.53 215658.14 201532.88 302305.88 173947.64 128512.35 467818 320428.97 294602.72 234809.75 321937.72 195003.94 214709.88 134277.17 194584.33 326496.09 282122.06 290849.75 193551.7 162674.92 372151.25 201203.11 129573.91 159287.94 242073.08 316743.5 269825.12 249215.38 220294.33 130129.34 319060.84 172924.38 278394.03 185908.88 261217.17 200257.7 254569.92 trans-4-Hydroxy-L-proline 487750.16 835401.81 728995.81 553545.5 873513.44 647464.94 658532.81 554054.31 523694.88 787845.44 685126.44 722963.69 614576.94 810873.19 686988.81 848577.81 922246.75 777752.5 722174.31 866077.31 642385.25 689277.94 1055937.75 633512.06 883084.56 389144.62 827520.81 693662.19 1036252 804243.25 650294.94 971718.19 883622.31 638253.19 830550 742921.31 731105.56 963135.19 1149533 796516.25 600395.94 653454.56 651535.12 572649.44 710090.81 689698.81 768312.69 622530.69 820936 809356.81 524840.19 858251.5 870621.94 750630.81 671847.56 648126.44 933503.94 881334.94 711697.44 829294.94 814584.56 675479.44 836327.5 1080296.88 1055476.5 1093311.62 924718 909950 611646 604332.31 730631.44 676445.44 1000056.31 740241.31 927429.69 594695.25 645374.75 827456.81 900238.44 646020 979716.69 947969.5 857496.5 668383.69 882384.81 1072213.62 829844.94 984245 737149.69 750733 935655.81 704760 854603 751326.19 5-6-Dihydrouracil 85685.9 72051.19 58508.28 77559.14 56355.28 54206 92140.29 22827.96 81987.46 54366.14 54311.02 92508.74 55811.14 46933.62 38537.41 25066.16 113505.9 67154.8 59976.12 74377.99 62152.4 61965.92 45347.13 39379.1 87295.71 158491.88 60261.84 28810.18 83600.91 66194.9 68494.25 65496.35 77762.13 73118.93 116865.28 107736.48 48459.42 79390.09 64939.94 23315.62 45202.05 68624.47 109078.95 80986.47 23546.39 88254.16 59701.16 83683.94 80189.16 86199.71 78070.59 37811.16 158905.31 56012 103636.38 91848.66 66843.19 74123.56 37752.89 94295.95 54757.33 77502.61 90189.03 106851.12 81496.66 90588.74 113814.6 102228.47 76253.46 103338.56 75476.95 62121.81 118096.66 96786.12 82905.09 54314.85 35244.48 106584.98 73429.01 43986.68 104976.38 104401.81 98982.66 28574.92 107981.4 75941.71 53407.46 75481.29 84732.13 63650.59 111991.04 96960.1 94944.38 51093.31 Pantetheine 278312.28 105131.35 228289.44 83468.09 129265.87 64872.18 167592.66 145991.12 137542.55 115911.04 108972.25 155993.78 107116.98 22143.15 200885.75 195595.69 293665.84 106641.31 100065.51 192884.69 246138.8 72804.98 192323.06 38727.05 58160 0 62862.78 148711.39 210495.83 586134.81 52718.82 232968 476447.75 337067.78 279575.5 89170.48 452141 0 65104.89 338873.22 557783.5 0 852.05 30243.45 0 0 2426.22 0 5895.23 0 2701.61 0 10555.17 0 34425.07 0 12970.49 0 2607.39 0 2207.89 0 10045.23 3926.61 3388.86 4075.32 0 5147.33 0 14314.69 0 0 7102.34 0 0 4773.74 0 410226.34 134142.19 131902.44 65661.9 0 4814.22 0 92696.99 170497.92 208463.88 371762.34 126699.38 78499.54 166637.38 35738.92 214834.88 109864.31 Taurine 380630.28 234162.48 259199.42 455953.53 169466.72 291300.91 191798.25 318368.91 365408 239030.89 263248.5 201553 191524.95 249180 252650.64 231621.75 272411.28 259603.27 314011.41 322690.91 363145.22 290608.56 429426.38 208356.98 269104.34 16573.59 219427.23 199436.36 243047.8 260220.75 169200.48 246580.5 283713.91 331485.66 232174.36 397632.53 286944.78 233522.55 345495.97 248827.8 249227.8 596548.75 449887 501446 276965.91 205913.52 440086.59 547062.81 223950.17 454819.34 334371.16 651995.31 579423.25 420703.12 377188.34 343673.25 261773.48 681403.31 442496.12 450709.47 446601.47 390194.25 446742.5 261343.7 407490.59 303965.88 602131.19 481291.38 442844.53 213836.08 239665.89 443678.59 251976.11 708413.25 396613.09 421916.91 167984.05 444030.38 603400.31 783977.75 266124.47 630082 519695.66 180960.2 540176.5 571854.94 341420.41 197360 189108.06 410861.34 242756.5 380970.91 251741 360504.28 2S-5S-Methionine sulfoximine 70588.06 68689.48 44051.11 119975.16 14453.16 63651.73 89933.29 21164.95 22612.63 32063.33 44820.33 52397.25 41632.39 28616.24 104009.99 75534.77 79425.98 84547.84 40138.53 64137.48 51816.67 65268.06 70637.73 41864.98 37483.98 0 47452.32 32006.25 66618.51 54891.69 57548.69 133015.5 71289.76 47858.84 60655.39 17249.78 78897.03 41908.79 25191.42 59489.38 47844.34 61404.19 62091.32 103783.79 26185.19 116599.73 25286.81 86569.09 28939.15 42738.91 56555.04 124737.27 37827.21 70675.14 76964.93 47218.91 64334.59 109052.69 105272.88 56205.5 39684.05 88153.25 115584.34 24115.59 39705.79 16379.9 128259.29 99152.48 78975.53 126806.06 70142.41 68682.34 58265.27 86195.59 71948.82 19770.23 157517.67 124189.54 103543.34 99207.77 76826.92 114031.62 68110.99 93150.13 71338.37 56486.17 102276.16 80352.83 74057.74 59846.44 163183.42 69151.2 58516.69 40673.91 L-Methionine S-oxide 576751.94 767865.81 357739.62 544251.38 246650.58 300286.84 236819.64 505434.78 1475315.62 207791.45 543547.69 374949.5 585136.81 731415.19 729872.19 396314.38 622295.62 330466.56 800506.5 532195.75 829766.94 930486.31 860878.31 1124558.38 677657.25 999151.5 969209.5 1021602.5 1050350.62 437727.22 969271.81 1060222.75 590649.94 341659.66 1131409.88 1661079 357826.22 1160209.25 1233886.88 552157.44 494355.66 1057821.88 1333083.88 1460713 256090.33 499022.78 1433458.38 1157835.12 569370.56 297547.16 926690.25 1116629.62 745579.31 1472200.62 2207834.75 496474.09 1075883.75 1469589.38 629255.81 444680.75 1021142.06 899362.44 1545696.12 572113.19 902223.44 966685.81 691033.69 1171580.62 680216.31 1056044.12 266837.91 948677.31 544106.44 1494130.12 552642.94 299830.47 735574.19 371068.62 1286312.12 228263.62 1042070 1576775.5 1108619.38 760239 1269760.12 1441459.62 1525651.88 371295.66 307989.25 1258001.62 2503756.75 1037229.19 819046.69 800354.69 Kynurenine 301194.28 587332.69 590252.88 539564.56 471493.25 307100.5 481431 317866.16 390202.59 340480.62 332049.62 309644.88 289729.47 250142.2 572364.31 405302.09 659712.88 507303.25 358358.38 348233.34 403884.84 231351.55 613445.38 342986 427345.84 6320.57 281983.5 399429.34 664887.75 527036.38 371323.53 911885.5 681425.31 427991.5 372579.75 353380.09 483353.22 889108.31 327375.78 456625.16 649914.56 462906.12 704226.81 478061.5 489967.25 212446.39 317869.88 825386.19 292486.66 578210.5 505437.28 416572.41 313929.53 728112.06 574603.06 407277.09 595093.38 549443.56 617697.62 497916.38 428416.47 567584.81 830407.94 291260.66 508314.28 450157.03 525823.81 461818.47 531179.31 513684.84 731638.44 673289.44 412534.25 733769.81 412647.84 476151.34 484841.47 478775.5 457725.47 459391.53 517401.75 1012880.94 539492.44 721942.5 524786.69 456608.12 360416.5 475114.47 357666.75 439552.97 908878.06 450573.66 551080 335186.84 Anthranilate 1226972 1221423.5 1134898.88 1327920.88 1568046 947171.44 1234314.12 467825.03 484112.16 1373616.88 892285.19 1530450.38 285097.41 480402.5 1319690.25 1258254.75 1720304.88 1417683.38 741933.19 1466201.88 531281.38 968477.81 1164954.88 1136932.88 1746011 94446.32 1567076.38 526412.5 1608188 1438815.62 1151532.75 1453416.5 1853636.5 1071939.88 1324879.62 717346.81 1125472.12 2481813.5 1315286.88 1232164.12 1633311.38 1423168.62 617970.94 877469.69 1121922.62 922482.31 1096002 678508.75 835076.31 763170.75 1262242.38 1626888.62 923665.25 1362257.5 624333.06 1272936.38 2228191.25 2090134.12 1855779.38 1203826.38 1089001.38 467085.09 518070.03 1071368.25 1237778.12 1249531.38 3467677.25 1471012 454886.09 1369492.88 2408269 614597.38 1271223.88 945160.69 1687616.38 2052225 1982884.5 1686812.38 1083143.38 2144695.75 1231899.75 1303077 1456241.5 2381004.75 1367888.12 1091156.88 835904.75 1856530 1429863.12 899263.06 956425.5 872098.94 1862211.62 573959.69 Picolinic acid 71785.02 88963.46 40463.14 72034.38 50276.41 48823.76 63898.26 77932.66 76897.81 42784.89 64786.16 42466.74 91661.09 59956.79 84536.3 64547.33 73339.94 61951.98 61780.14 65427.74 58435.29 43148 70555.95 77370.02 68605.59 606058.75 53947 65157.47 70961.01 62941.07 63316.24 63069.48 64798.3 50834.16 70546.28 53300.48 54893.26 62270.67 69587.08 67239.12 59873.11 60643.57 71326.35 71591.45 53254.88 44261.21 63232.83 72014.77 71098.43 47902.58 34306.14 42778.67 91204.62 71741.53 69447.63 28389.58 67602.16 59238.45 29946.94 58020.56 51798.25 71275.69 53614.06 57639.71 51840.42 78545 61188.13 44416.83 64789.11 53928.44 39963.41 66616.66 75782.98 60079.2 48990.85 57077.11 59981.22 59570.02 92770.71 29101.4 88787.71 70695.16 113511.9 55191.16 115498.65 90179.76 101751.01 62078.24 55040.63 78002.35 66619.7 71780.2 65760.85 63763.2 g-Oxalo-crotonate 1119513.38 912635.25 1436188.38 1844427.38 547526.31 1289521.88 1286688.88 424214.84 1610963.38 1243554 959666.19 688409.94 337349.78 734285.75 799381.06 1069932.38 852509.19 816152.19 870949.69 1055035.62 1070382.62 756281.06 1379304.62 631655.5 647455 732956 893610.94 510678.25 538420 1110962.88 878781.75 768161.94 601051 1095792.5 479443.34 1774119 1084032.38 574131.06 1509092 531165.44 1252704.38 2590231.5 1909709.62 1621739.38 1020825.94 553146.75 1811748.62 2296075.75 1226065.25 1140471.12 820425 2668422.25 1726696.38 2524762.75 1259550.12 1248109.38 1075725.62 2833371.75 622648.75 1524403.38 1840474.5 1131345.88 2837008.75 1056657.12 1466508.88 890950.75 1345250.75 1543298.12 1207351.12 397382.53 484286.03 773596.81 1240944.62 3143087.25 1190924 1130138.5 547847.44 1909202.38 2041396.88 1822274.62 672768.06 2059724.5 1755662.62 646694.06 1307777 1967655.5 1080038.88 721602.06 714460.31 591226.56 605035.56 1212517.38 811234.81 1496471.12 L-Adrenaline 951803.19 913959.25 1885132.12 1220426 2793474.75 1253559 3425581.25 635422.81 1713197.5 1454366.88 520199.53 1263469.62 880310.19 359958.34 765109.81 1399807.88 940653.75 1617069.12 851794.31 696478.94 1017477.19 591531.69 886436 980499.69 813960.19 111123.09 1174996.62 982283.06 1143603 1130340 854789.69 1126357.12 1650879.88 864573.81 1105988.12 833282.81 952905 996218.56 1026195.75 967218.5 958868.19 489546.25 752677 1013608.69 1129208.12 870391.31 1061758.88 1694927.12 860787.31 848663.75 657129.88 628563.19 795415.31 827182.5 781902.5 666498.44 1778467 1269845 1407350 680654.44 933987 784809.5 777506.5 906614.19 786320.44 662844.5 725787.81 712137.75 726761.19 992330.69 928712.56 629997.88 1657356.38 520732.78 1286016.38 510729.91 1139370.75 1137857.75 467423.75 476683.47 963346.19 939757.25 1129787.5 1157796.25 804807.5 361180.78 322470.12 1066723.38 1047765.69 494322.41 673096.06 551477.81 1007674.06 793505 Serotonin 1975978 15925867 4455358.5 18144236 27945688 2087136.38 25364058 30895.67 25082.89 25342062 23208.66 28352866 14695.44 14111.57 4065642 4263251.5 8516639 19137832 19739.61 5860432 15157.8 22158.46 19618.85 22943.06 6160784.5 8768.33 29793.61 19821.25 22652.08 27871486 14040.98 37560.4 6753504.5 25974590 6564436.5 23937.72 33781220 29588.25 28791.85 31651528 44809408 34760.18 22696.08 15911.38 5697960 5540224 22504.45 27548.96 5233079.5 12873623 24931.35 37085.37 8548704 15951.76 12599.74 21101626 20197.95 43050.22 16223.48 15503891 32478.83 31857.49 21493.46 10978423 40694.84 31464.95 28405.51 25300.74 42152.03 18419.77 19358376 26922.7 4507112 477059.09 1799010 24385080 25815.99 43487048 187243.3 21118296 364951.12 171329.44 758082.75 22133.65 852794.25 145716.23 312684.66 7354090.5 25445146 19559.79 62473.97 26862.62 6609348.5 26207.31 Ectoine 76357.16 27090.55 19299.59 18787.7 51512.42 13500.98 65464.64 22644.18 57208.59 48296.45 23300.44 72013.2 35190.22 40687.82 38115.77 67619.09 18512.64 20587.39 55416.11 59098.39 38068.95 32727.06 58258.95 39976.15 58816.32 97545.88 18884.49 43853.33 40281.52 28547.92 28457.31 63982.23 52863.3 36810.88 56177.73 61496.83 82551.75 118923.23 92464.66 32895.89 38755.66 33778.43 89584.66 25159.87 26043.89 88426.09 57770.17 80893.5 50665.03 81754.18 68130.45 46173.08 62980.77 74928.17 86001.84 74302.77 86368.43 34363.1 49001.14 60041.76 59369.86 35472.87 54820.14 74364.32 119663.37 40407.79 132058.02 277925.41 29468.58 64994.56 79030.48 183799.12 91762.98 69064.67 65996.88 47848.68 17248.07 34329.3 68975.45 352046.16 47308.78 76218.05 34500.79 67027.62 102304.25 62681.39 46259.3 99107.45 42644.31 61870.33 83091.77 82755.37 77256.6 44903.49 CDP-choline 22802586 23221790 21965062 21824682 27432960 25872074 26749264 23717138 18709414 20318344 21986622 23561702 17091638 23936770 18643330 20810310 19888364 23680878 20738150 20899646 21009692 19678704 20670542 24184248 22862602 21727246 21586638 19276216 23714438 21196006 27210350 23405322 27825270 21822766 16981458 22484826 21233700 23214560 25004906 20824234 20826032 21271338 22784938 25243830 22183388 25853506 26394288 24066278 23121106 21857522 25897792 29446160 20264414 22344364 23426358 22740198 21393760 26378730 31210414 18621426 20513746 32770122 22102098 20900080 28119320 22923106 25288944 21217462 27145006 20472462 21513576 20998478 20846656 23208186 23084118 17588720 18598096 19516112 19605168 21369072 20502284 21349180 27262224 27144432 20824222 21717424 20367170 18317576 20542650 21776584 22490608 24239416 23330128 28113986 Choline 42700952 39986668 49859072 36944256 23230030 24324662 36571028 29186022 24363016 24848594 34951468 42207076 19518010 25567230 36860988 32726080 37560320 36040364 34654084 27020754 17769666 32740730 27691776 30257850 51693140 11721896 20838514 16958570 28521688 25203194 18061340 40206752 43038372 24775954 36417388 31875416 23860234 22984744 35900140 23906736 25800080 25595866 30982920 31475678 25417050 17174010 22534042 36695616 26104408 34371748 26933856 36930988 45074320 35881388 27574538 33254454 25436950 34880468 22786616 35645940 27290534 21868382 31894490 33516358 29506160 65573228 30007306 36708964 23635666 35020308 24763650 23241272 31845510 41229276 39764196 36756252 26559830 29364442 34174220 36037092 31556762 42383372 37104412 26272274 41958740 32600558 31001414 35138212 38594068 40628996 41060912 53321076 32540048 21032880 Acetylcholine 4186791.75 4773487.5 3521767 5260379.5 4626649.5 2694876.75 2424738 1865944.5 2628617.5 3650912 2420659.75 3285271.25 2160552.75 1129100.38 4494013.5 3664698 4529159.5 3597916.75 2321951 3163036.75 3178193 3240468.75 3661968 3535009.75 4356033.5 193082.58 2975006 3087318 4269312 3137646.75 2710971 4182410.75 3700319.25 2338071.75 4327286 2309058.25 2357005.25 4069815.25 2716731 3200370.25 2794100 3241072.75 3483049.25 2809520.75 3430588 2727518.75 3383997.25 2947601.25 3195793 2514256.25 3377859.25 3402155.25 2768018 4769435.5 3963465.25 2232874.75 3428239.75 2883382 2872213.25 2408267.25 3196605.75 2721372 3810111 3890230.25 3424914 2887118.75 2377408.25 4486243.5 2839417.75 3294182.75 2838686 3887820 3074263.75 6081648 2834794.25 1524363 4345810 3488177 3261268 2200611.75 3677635 5795308 3925316.75 5197561 4756735.5 3298252.75 1964555.88 3362228 2221438.5 2481468.75 2511347.25 1869659 3884066 2850836 L-Carnitine 179271376 186265008 187766016 180050224 123333408 174607600 129252264 128459456 166232432 151334128 118906936 162249728 132971112 113744576 148507040 157537328 200872240 147846688 150636800 145789488 172038608 127861880 184502288 164210240 153320128 20334958 155439952 197044304 215738384 171666656 134490032 195252720 167855792 132947352 168391408 171038928 154181696 154354704 162228480 164647728 150405568 157562128 151051344 157594448 189008576 168688080 191674096 172756992 179710672 172665392 131585664 133340504 154128112 130359648 150742560 182519232 173943696 143957472 193813936 138195728 159960848 137195792 163412944 202263344 133410880 127861440 159166592 163487696 167525424 178191792 186210944 175090512 198643712 154242832 160641440 144591728 145590544 177025792 97959200 144030496 144933312 193494480 148906432 141031888 168670752 87769592 90322120 183001552 157698704 130056488 185822608 132342680 165448032 164956816 AC(2:0) 281760608 230455760 192253504 267310416 233255696 201715968 141828848 242557360 209138432 166760496 169062064 164334672 186362736 137768000 171571760 179006592 103270616 117499240 193352752 90763168 167090288 230622288 187954480 225567600 141304320 18159586 146623024 161495824 89246816 117810328 153174848 175654976 110298632 121572160 186812112 152752800 96740736 101594568 142256064 136993136 91997864 66014752 161227328 210107600 162135600 113091880 81667456 103570200 204605712 133089920 191828528 115539368 253423120 77761984 179338192 141621200 96516000 63482596 102083224 142622096 128977864 130920360 176716880 143292640 65111924 147190224 123756472 78583168 117434136 207571200 107830824 114138240 167277760 79314176 102003208 130118976 100398040 129674264 102178280 258625280 147093280 81223256 104665816 108304296 196412752 100799232 203659792 185707520 115078632 212199040 65382912 119803496 102811840 135728720 AC(3:0) 3196929.25 3716378 6705238.5 6197062.5 3986834 4199817.5 5382160.5 2649261.75 6174331.5 4177201 4829108.5 6955903.5 2643700.75 3452770.25 4838491.5 4428471 5704062 6649112.5 4731396 4635867.5 4741305.5 3444477.75 11817596 3635541.25 4430210.5 704303 4580547.5 4862049.5 9017195 5689345.5 3907923.25 10229659 7090600 4980049.5 4798641.5 2906613.25 7596754.5 5122740.5 5128282 6632153.5 8220028.5 5065708.5 7596491.5 6110917.5 6465140 6215054.5 5454360.5 7121081.5 4366892.5 4119212.75 4704396.5 6452358.5 3918395 5126310.5 5271131.5 4101553.25 8038058.5 4445441.5 8585015 5222427.5 5028530 4544898.5 6338885.5 5568496 3572571.75 6699282.5 8470778 5346674.5 5722522.5 6607207.5 6020884 6042302.5 6040864 9999736 6831012 4732559.5 10695927 7490038.5 4612774.5 4815325 7742762.5 6345216 7001334.5 11623077 5608308 4145272 5892042.5 5857509.5 4942623.5 4102387.25 7005384 6519203.5 6654846 4456178.5 AC(4:0) 1216717.25 1647163.88 1525785 2041210.38 1036915.44 1064670.62 1394393.5 2897559.25 1377038.5 1182211 3951939.25 1694615.12 1169458.12 3055139.75 1142596.38 948192.25 1602657 1449991.5 4317266.5 1279937 1677058.38 3649747.75 6260135.5 4875982.5 1480485.5 545193.69 4373334.5 1485578 8847618 1674720.62 3746121.75 12305336 1720965 1301835.62 1276778.12 3154462.25 1693005.62 5709242 3667218.75 1695916.62 2107914.25 1531302 2402449.25 1840234.12 1698000.38 1415426 1324376.12 2266203 961919 1213052.38 1641401.62 1855083.62 853410.25 1659357.38 2433772.75 1312769.12 3016195.75 1563491.62 2356361 1542607.88 1201280.75 1491813.38 2742993 1128556 1268491.12 1753561.88 1913390.62 2048479.62 1621765.62 2201216 1759877.12 3005484.75 1477671.62 2023306.88 1830594 1207373.25 2026358 2348459.25 1448216.5 1917971.62 2387696.25 1892930.62 1688751.62 2487346.75 2008343.62 1452312.12 2497332 1645659.88 1230654.62 3002000.25 2655572.25 3439723 1665353.38 1587713.88 AC(4-OH) 1777112.62 2169244 1413416.5 1809291.12 1175451.12 1182690.88 680847.94 1821028 1277301.88 288052.84 2095067.38 1646196.88 725008.81 1863171 6761960.5 1141317.62 4507222 1508484.62 2945897 2326473 2942269.25 302555.09 5866325.5 222748.77 3078214.25 309821.19 227020.14 1829429.38 3876129.75 112480.13 367555.5 3610052.75 3214752.75 84726.26 3789508 182821.38 12124.96 1676743.88 1066972.62 335342.03 25580.7 519582.34 1106105.75 0 950663.94 809800.69 556261.5 1599631.62 613579.69 2686243.25 0 0 526661.94 451494 392474.12 1121595.5 1417813.38 492269.5 2607.31 1276254.62 948392.69 508231.22 1544805 873792.31 577987.25 0 108744.2 1072985.62 526619.19 13482.96 664896.38 482608.62 423698.66 156164.64 406902.72 2576955 764085.69 30078.93 61414.32 1012368.5 132628.39 200087.06 802091.81 753198.81 122144.59 78049.35 17903.44 1173481.88 609945.88 5042105.5 1672930.62 3772128 3744943.75 1639875.12 AC(4-DC) 51833.36 144159.3 135209.92 129580.04 100797.59 101509.81 176618.95 54603.64 143360.69 181465.48 143391.8 119647.53 66602.98 122596.69 115780.02 164692.8 207412.58 377517.97 192185.73 178137.48 86083.59 63403.99 242397.83 95863.45 250673.5 2256330.75 28433.66 101839.56 137868.83 170014.95 66574.91 148225.38 262518.59 122680.77 151571.77 106300.88 169976.05 221249.14 118580.51 202928.25 234064.17 98966.31 236811.25 188830.11 107455.45 93035.85 184905.3 191479.7 130152.44 187665.42 189092.75 171754.73 100745.24 401415.28 276638.88 236214.62 248927.06 108357.04 231507.61 287319.31 202176.5 205666.33 284378.75 116490.49 150683.83 237969.08 266130.84 231060.44 212845.14 63846.76 274642.34 279540.22 89685.35 321476.59 187167.92 212598.58 231186.02 207961.88 194446.95 61026.34 146183.8 295096.75 166326.42 282894.59 135702.72 154073.05 145223.92 173270.39 133266.67 218764.06 152814.89 229540.44 270306.5 105426.84 AC(5:0) 5005067 11099684 7713377.5 13419011 5454145.5 3660072.75 5990691.5 3296544.75 4188033 4258572 6421975.5 3448668.25 4051474.75 3252931 10102647 4107575.25 10944877 5368120 3730959 7787615.5 2581978.75 5288040.5 4818919.5 3806053.75 11004811 741100.81 3455650.25 2342927.5 6482336 6371917.5 4839141.5 8249637.5 12894284 5181599.5 8591092 3951367 5130311.5 2671903.25 2388620.25 2806332.25 3937532 2806233.25 7296844.5 4328187 4072168.75 2437786.5 2892245.25 5271834 3107532.75 5431002.5 6060638 6979522.5 2841332.75 2989174 4755474.5 7231264 4296930 3425790 4136812.25 3600310 2310853.5 5357899.5 5631286 2066317 3047010 6559297.5 3982425.75 4092041.25 5770338.5 5200573 2805406 6428970 3419555.25 2579594.25 3919986 4001609.75 4833854.5 5746750.5 4935210.5 6441504.5 4563708.5 4893109 6023282.5 4605086.5 6924000.5 5537689 6977349.5 4087358.75 4281290.5 4643148.5 4666710 4947499.5 7002322.5 3020159.25 AC(5:1) 243830.05 237105.08 252694.67 279723.59 264096.19 178638.05 194569.31 131020.09 372016.38 147172.05 176704.36 111417.54 390107.09 95104.3 267870.12 188357.33 302159.09 182752.27 102039.07 224839.2 236123.67 228392.38 398731.28 270630.16 71149.55 183157.55 148397.52 142646.94 445110.66 121967.34 216000.73 421823.75 108589.87 108923 126665.35 49999.64 250155.8 144270.61 152077.31 133602.7 153596 214963.56 252149.86 152844.58 128969.62 79830.72 75944.43 145084.8 124637.55 101551.06 241117.08 202290.56 123653.88 217338.05 268036.44 88115.44 194958.06 84770.66 83478.01 194340.33 50286.88 184512.77 454891.59 40186.94 209052.62 197350.56 142583.45 173905.56 347606.41 235171.36 186816.64 232943.36 66378.59 173220.89 125544.51 100959.48 301315.5 124679.81 174770.58 366818 211260.8 246727.69 262311.41 299169.03 248195.61 171993.31 287255.19 230846.3 252971.45 173458.19 410999.28 82297.41 242649.94 265493.66 AC(5-OH) 100754.1 133026.2 221209.62 374965.78 307888.16 381813.62 333918.22 121901.19 198571.42 253135.95 190436.12 331433.34 164977.02 347399.59 373275.25 168914.86 368757.62 267690.66 367439.5 423476.88 275992.22 133028.14 331154.41 241638.14 489760.28 185855.05 313719.47 176094.11 216378.31 422924.5 206835.5 243957.44 495441.03 381740.16 320203.75 122114.69 331416.97 191318.19 209440.44 254603.45 390397.03 238988.42 217784.11 175924.94 218571.98 199104.25 279275.28 149032.89 152402.23 165729.88 270758.03 567647.44 171310.42 275363.34 212234.42 240641.5 272312.66 119130.34 168023.03 263131.88 481726 137479.34 277178.12 134120.95 148975.23 313517.28 227910.69 278753.81 157885.86 246000.58 231332.5 198391.42 211471.58 408967.38 205407.58 186919.94 297332.97 324141.12 362289.84 198377.56 313855.88 382853.88 354624.12 310063.84 284853.88 360515.25 359256.66 250631.02 514842.47 257320.39 370245.09 340198.69 448770.03 234479.8 AC(6:0) 4127510 6862602.5 1840086.88 18847732 647910.69 1630880.88 324044.03 1161357.12 1677714.12 258384.61 1707475 1721194.5 140831.98 158417.62 4663062 2576826.25 3109004 58267.81 873482.31 826505 79561.37 741169.5 82682.48 121911.98 2216054.25 0 36144.38 166034.73 61547.36 1431903.5 72078.26 203142.23 265213.38 504087.41 3902034.25 1328403.12 122038.73 13646.72 575736.69 2576254 148830.08 977021.5 2691557 1518875.12 2465365.75 379664.75 888748.31 1658071.88 1821965.62 1363293.12 1879561.38 1633230.62 2008500.38 761596.81 2910923.25 1015572.19 660749.69 865220.5 449712 700867.06 937162.19 4702835.5 1429359.62 2469321.5 865009.94 1379609.12 1422228 955242.69 2186833.5 2226746.25 802784.81 1321715.62 2302453 706143.06 863911.75 1238429.12 505405.97 6844652.5 970466.25 1321629.38 1389016.88 628987.5 2147691.75 526215.44 3491154 1105067.62 4194909.5 2086267.12 1453293.5 2847225.25 864961.25 2276393.25 439106.78 215726.88 AC(8:0) 22220990 69978496 19694380 124207040 33037370 15485875 32726422 12106107 9482747 41060644 16712797 20585514 12028844 10216035 58754404 25144242 37290112 18729666 19208436 11716255 12577312 11344500 14656207 19250910 58970404 151963.31 8199936.5 15719593 6592158 32588294 10000996 14507189 31580678 21062096 33749268 5132324.5 12424095 4512836.5 11385976 62973616 24164402 31887.8 325527.06 608612.75 183363.95 38872.39 55942.34 406833.62 101539.54 187145.3 106935.85 80001.04 749917.31 97289.85 563887.06 2144525.25 40870.21 21630.15 38875.86 660555.19 105427.87 265157.66 270273.12 174804.05 57043.93 84991.01 46641.79 68195.22 166963.69 109781.15 3141363.25 191598.95 264162.53 129567.6 59723.89 164112.7 14931.24 64181228 8211507.5 12585779 30860466 67121.09 351453.41 31203.2 35595892 8867495 35524924 12713088 22638346 10405482 3167189.25 10109799 17186490 5689124 AC(8:1) 580552.62 1238449 1086124.5 1802893.38 1188637.75 760585.94 1106316.12 624537 633105.75 774207 690652.88 651980.12 841234 716801.31 993686.31 682207.56 1040289.69 656725.12 745217.5 431038.5 1056399 708076 864916 537438 1116809 13280.24 597007.56 1198957.25 630206.44 786597.5 541263.5 1121363.88 1062105.12 1567600.5 664589.44 434793.38 1112805.75 750107.69 359457 1123060.62 570459.69 273923.53 579566.06 515563.59 248250.81 406153.66 477271.91 676741 525241.06 343896.09 198887.39 446933.09 1066453.38 330467.22 580395.12 432709.78 500700.09 349965.41 314939.78 226557.88 710962.69 800027.69 935443.81 709691.56 626553.19 254940.2 159018.7 472430.47 442321.09 469725.84 720102.25 495424.34 1150593.88 379642.28 826282.75 312056.47 129345.9 788781 887803.06 1007318.94 970071.81 179474.7 552417.31 174687.08 1124190 947865.69 1256271.12 1058450.88 876342.19 684999.56 655773.5 431675.91 857710 570061.25 AC(10:0) 35615268 69874408 32478138 143958288 40270092 23282190 46923388 15700285 16128016 46690416 21238056 32560736 17863108 10701693 68729512 33171182 48175300 28186178 23416360 15012091 20406690 12761280 20048338 26306920 77154440 81486.38 10331325 22080478 7937054.5 41215788 13391663 22413280 41854048 28172504 34385144 5902181.5 16454996 6089246.5 13320359 72357344 34111324 5589960 32724176 6813623.5 26403222 4723906.5 3535905.75 21513400 8742095 27219146 16122291 8934888 11234817 10085381 48322208 9595892 2330806 2732526.75 4007181.25 14840013 4733822.5 51680060 20032184 20365918 5361622 8901408 11237532 5082371 30399902 7616257.5 36945924 22677608 16483891 7992053.5 6547362.5 23829698 3516895.75 71325960 12437133 18474034 45744816 5553673.5 33996984 4495117 45384348 15394497 53809076 23109798 28747088 12045839 4450072.5 11299288 20681312 9172740 AC(10:1) 8824668 33483872 11353487 69827552 17736034 6606489.5 16768276 13572291 6021227.5 19417816 15702492 12004223 8531601 9995168 26928640 9455787 14105008 10091910 12103539 7145554 7744994.5 8044441.5 7631511.5 12850596 24388410 143672.34 7040908 9165465 3384239.75 17446712 8803340 9433555 14813027 12870440 15263736 3656890 7829850.5 3675663.25 6669655.5 35242596 18260452 2466219.5 12271012 3288001.25 5294990 2937131 1918260 10060987 5870837.5 10225127 7755124 3546024.25 7470142.5 4925868 17595314 4972326 1471260.12 1430482 2611754.25 5714167.5 3310221.25 20386942 10873873 9323734 4565427.5 3619846 4935641.5 3827686 10524912 8502304 15617281 9407651 8396361 4240697 3897300 9760883 1683995.62 37049548 5732010.5 7408556 12899392 3098180.25 8274926 2153454.75 14847657 6212435.5 19858788 7605524 11182597 10198964 2657257.75 8825432 8740330 4165483.75 AC(12:0) 9551076 12132696 10348280 17239208 6948671.5 6105623.5 6633209.5 3044733.75 6250296 6462331.5 3278004 8703832 7389830 2099487.25 7250830.5 8931828 6144415.5 4500484 4979504.5 2474310.25 8338338.5 2792186.75 4773340 5536623.5 11709824 10068.12 3272522.75 6853418.5 1854533.62 7839219.5 3070243.75 6072766.5 5107823.5 4562139.5 5582731.5 1895040.88 3159301.75 1831960.38 2525030.25 8115770 5497891.5 1947470.12 7030570 2687820 7952878 1260978.38 1077443.62 6263161.5 2956986.75 6334989.5 5885705.5 2990008 2632219.75 4803615.5 9177091 4661033.5 1191930.38 1242995.38 1436659.12 4646229 1774885 10585037 6293506.5 2921152.25 1806894.88 2881403.75 2664849 1214681.5 6167498.5 2469264.25 9216591 4890626.5 2759478.25 4168763 2126676.25 6345930.5 2045756.62 10156522 3069532.25 7226248 10152217 3252953.25 8176501.5 2279877.75 11731029 3455820 12303936 7951535.5 6924970 3415160.25 2113879 2329725.25 3708991.75 3418298.75 AC(12:1) 6483723.5 10695574 9200087 19230942 8979036 5845182 7702059.5 3254090 5836013.5 4448844.5 3676438.75 7564556 8559751 2562532 8177853.5 5796164.5 3396286.25 3337172.75 3862788 2870994.75 8926740 4270744.5 4059112.75 5298824 7671724 0 3592727.75 6665382 1418509.62 4518519.5 4128802 6515620 3212918.25 4427370 5235941.5 2055057 2259144.75 1274371.12 3051009 6089214 3500978 1556702.62 8027489.5 2300172.25 4770210 1247482.75 1091576.12 5356511 5303555 5352608.5 6678438 2278875.25 3267939 2294274 9674675 4898701.5 729971.81 693334 1114826.38 4713819 2566729.25 13308824 7041781.5 3483405 2254739 2917229.75 2191719 1586057.38 7372056 2355324 8390979 4798290 2444649.75 2377596.75 1115655.5 6139553.5 1605661 6872906.5 3088984 6924069.5 6291144.5 1684312.5 3467315.25 1652125.38 6292764 3271143.75 9284186 4924726.5 6528613.5 3586924.25 1943321 2211218 2838874.25 4474920.5 AC(14:0) 3138068.75 2603122.25 3222331.25 4060130.75 2541003.25 1849020.88 1274774.25 930216.69 1851851.38 1346097.5 932909.56 1863070 2684081.75 912566 2009407.38 2143009.25 1379980.62 1219879.5 1623747.38 1024997.56 2593241.25 1231629.62 1289737.88 1384875 2563410.75 6610.44 1279294.88 1761539.5 731032.94 2600681 1142634.12 1899802.5 1524372.88 1455647 1722578 1062295.12 1248859.88 776928.75 1201934.12 2041083.88 1270868.62 1104604.5 1939183 1578736.88 2162195.5 735808.31 836667 1943169.62 1349515.88 2254973.75 2257058.25 1256229.12 1145665.12 1782697.62 1803428.12 2552643.25 475494.62 894985.31 832108.31 1962986.5 813204.69 2136747.75 2041401 1292566.12 760037.5 1167213.38 1137268.38 546177.06 1353196.75 1329707.88 2225237.75 1469641.38 1099681.38 1593025.88 697801.69 2329123.75 721976.06 3102155.25 884004.81 2766740.25 2242862.25 1672539.62 2399115.25 588882.31 3079389.75 1129494.38 2539501.75 2077176 1792343 1431694.88 1263176.62 961181.19 1146392.88 1916979 AC(14:1) 20600006 21448700 18646318 33293306 15762576 9047824 12255453 6005810.5 9965481 9789073 7518557.5 13505131 15791731 5109129.5 14554871 12466473 6038392.5 6683838 7417344 4572392.5 16185004 7076578 9127958 9382782 15089717 6967.93 6229880 10833732 3683437.25 9705757 7070342 12587997 5579045.5 7672954.5 10903435 4385464.5 4657074.5 3543726 5038176 10758027 6539564 2356866.75 12305936 6217430.5 12746305 2461914.75 2066327 8963123 11256648 11112745 14928332 4897098.5 8044504.5 5700098.5 15100733 10273669 1713403.38 1121214.5 2315849.75 10178331 4784238.5 16332909 11178498 6615706.5 4175834 5229735.5 4381842 2754681.75 10337079 6290170.5 13161509 7216755.5 5873556 5265114 2378888.25 13077672 2803858.25 12222527 5874293.5 19128368 14541815 4517020.5 8063825.5 3083677.75 17471394 6510820 21820208 9450540 13264151 7873610.5 3640172 4676267 5113328.5 8030887.5 AC(16:0) 4345312 3556022.75 6754794.5 4640495 2359746 2824577.75 2590402.5 2277388.25 3424992.75 2984904.75 2322440.75 4082122.75 4103910.75 2285736.75 3015850 4175766 3485580.75 2035192.62 3059669 2199323.75 3483672 2539922.25 3407532 3052970.75 3524659.75 5710 2796177 3013746.75 1611312.38 4302225 2458217.25 3514531.75 2244510.25 3399057.25 3403066.75 3522632 3123396.25 2310389.25 2920912.75 3351776.25 3373194 2853304 3597889 3246211 3884714.75 2295079.25 1947563.88 2920958.75 2591689 4142767 3196790.75 3152314 3929790 3974606.75 3198056 4017406 1308878.12 1987762.38 2233337.25 4008908.75 2379508.75 2410670 4536768.5 3131593.75 1933036.5 4170084.75 2517966.75 2317477.25 2147478.75 2804618 3539224 2881842.25 3050317.25 3767040.75 2129245.75 3824629 2400346.25 4566393.5 2220125 4592487 2748668.75 4506884.5 3414377.25 2500040.25 3542583 2604367.25 3065439 4207569 2000861.62 3096409.75 2885096 2542911.75 2752207.75 2448397.75 AC(16:1) 5390613.5 4125058.75 4706147 5338060.5 2552711.75 1831219.5 1927657.62 1582236 2872039.75 1489889.62 1344606 3100620.75 3583015 1426579.88 2652497.25 3145970.75 1255725.62 803378.06 1768499.5 1125034.88 2613420 1838655.88 1624465.12 1730783 2222779.5 6595.29 1345516.62 2491103.75 533845.25 2909715.75 1381456.38 2445857.25 888347.5 1581573 2761019.5 2268548.5 1162782.62 792150.94 1642067.38 2586852.5 1391033.12 1015475.75 3399023 1543209.62 3293993.25 933625.56 1095139.38 2393115.5 3042725.75 2123324.75 2235698.25 1175633.62 2909941.75 1216958.62 3499502.75 3455491.25 618688.81 846735.81 514619.78 2908943.75 1648657.5 2665786 3613554.75 2392575.5 1472807 1730767.12 1035138.19 1114310.62 1936537.88 1334826.62 2377492.25 1444017.5 1846630.62 1208658.88 738125.31 2724086.25 603377.31 3223672 1918066 3553397.75 3308792 1332712.12 2082248 595499.31 3848476 2116729 4187177.75 2369507.5 2124314.25 2592194.75 1578106 1404123.62 1326070.62 1840854.62 AC(18:0) 398018.12 236128.45 674586.06 429312.16 191842.94 233906.58 178120.36 229076.38 332251.59 245080.88 262172.78 359665.72 380702.59 239146.89 269033.22 540713.06 241536.92 197553.75 311242.22 202014.14 290624 384448 342272.03 318807 244022.81 0 313703.25 294419.97 179852.44 429050.78 281545.59 326890 195685.27 325001.03 188649.12 366251.25 378285.72 190471.19 280643.72 226611.56 408995.66 283017.59 242979.89 342310.72 502201.16 312042.66 226295.92 321990.72 263985.47 482764.03 220294.83 468774.78 473775.25 443129.75 211064.73 375688.78 127298.45 240260.88 223491.08 378447.88 193052.33 168820.89 247835.77 301402.88 152187.77 324591.09 193155.83 251507.95 147504.67 281098.59 372972.09 214100.45 262998.62 479930.12 271817.94 356755.16 432732 392430.25 136480.83 423209.62 233123.73 405481.47 254376.86 310843.12 342746.28 175895 212076.89 415428.09 265087.16 370688.75 245197.58 316451.09 270548.03 228435.17 AC(18:1) 10026965 7678501.5 9460572 8739688 4499996.5 3144213.25 5338898 4190848.25 4756899.5 4198806 3944193.25 6416414 5932354.5 4050226 4741130 6485029.5 3143867.75 2387219.25 4164732 3482955.75 4353196 3963635 4833828.5 4609300.5 4864163 2980.12 3773322.25 4765120 1540507.62 5098227.5 3291173.75 4811365.5 1891518.62 3954031.25 5699038.5 5952644 3213008.75 2244860 4556306 4330607.5 3318051.25 2784447.75 6390664.5 4406194.5 5816040.5 3413741 3228204.75 4370835.5 5797461.5 5544053 4350112.5 4775810.5 8455971 3991410 6315730 7406186.5 1748280.88 2405625 2362570.75 6140234.5 4525932 3625148 6890329.5 5812390 2900203 5394402 3927863.75 3483834 3408335.25 4354420.5 4408729 3210201.75 4766753 4056679.25 3103780.25 5524414.5 2635018.75 5667048 3838828 7644112.5 3641445.25 4354184 3344482 2776357.5 5177416 4931865.5 5746880 5702764.5 3900063.75 5885928 3343942 4486653.5 3471843 4238654.5 AC(18:2) 3188565 4023417 4847810.5 5116276.5 3678469.25 1890843 4217888.5 4094329.25 2645353 2936923.75 3792274.25 3429740.75 3503892.25 3800906.75 2326218.25 2922658.75 1780218 2262517.75 4052266 1794550.38 2630803 3579318.75 3448242.75 3430753 2258286.75 0 3686087 2619643.25 1679634.12 3714331.25 2812788 2204822.75 1696028.38 2944696 2227725.75 3530904 2437724 1982870.38 3176438.75 3413219 2642823.5 1745212.5 3047678 1746900.5 2960234 2826933.75 2357040.75 2151692 4096787.25 3493104.75 2428638.25 2417400.5 4685798.5 2924956 2971220 3578620.25 1211592.5 2158164.75 1628614.88 3647722 3083869 3349914 3790321.25 3601046.75 3052359 2404542 2314475.75 3128190.75 2544729.25 3650898.75 2914555.25 2136884 2825833 3112983.25 3064719 3572807.75 1898528 4162072.75 2077091.38 3575636.25 2223873.75 2757363.75 2103171.25 2078682.38 2927443.75 2379273.25 2867587.75 3021384 1943420.12 4288304.5 2443102.25 3222334.25 1977860 2738684.25 AC(20:4) 268148.28 170839.42 444859.59 197161.36 662289.31 516423.53 309967.34 140363.64 191629.73 137181.77 132586.14 269101.47 167854.86 117091.85 130614.28 218006.95 64661.38 306718.66 221128.61 108757.35 193866.83 196151.8 291977.34 220243.67 125742.12 0 216641.42 175060.45 250694.95 204381.67 501020.72 166279.78 278690.84 125692.88 123762.27 235179.5 143142.8 171191.17 242452.5 154186.31 141855.27 133591.48 364438.72 101331.44 307290.78 103165.29 144657.55 211706.38 107612.98 384963.84 296502.09 254417.92 168077.98 260782.73 347186.78 261091.92 62247.97 200401.39 372736.91 329975.78 165651.84 931958.56 333819.91 112195.91 176831.36 216156.12 337731.34 171849.45 677352.38 166849.89 249601.3 203156.77 130202.35 348168.84 105986.32 318590.91 150359.98 193199.92 102622.12 397507.62 81929.27 359892.28 113272.44 184021.95 127990.41 87387.32 122878.99 261178.58 83575.54 214102.11 153825.52 234449.38 118193.43 318597.91 Sphingosine 0 0 5271.77 12555.49 0 8463.94 0 0 5531.97 0 0 0 0 0 0 0 0 0 0 7922.87 0 5775.32 0 0 0 294859.03 0 7356.7 0 0 7620.45 0 0 0 0 0 10240.4 0 0 0 0 8694.55 0 0 6601.35 0 0 6474.83 0 7614.33 0 5020.55 0 0 0 0 0 0 0 0 5353.59 5673.91 0 0 13688.16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 4813.15 0 0 4969.47 0 0 0 0 0 0 0 0 Biliverdin 1347234.75 6734972 3965509.75 7007522.5 6503283.5 2569972 5510589.5 1122387.88 1647094.62 2571636.75 1245854 963274.56 2346843.75 2621970.25 1512993.62 1396374.38 497396.12 1239610.38 862722.19 1766107.88 639165.5 1079851.88 559710.31 1057278.62 1126866.12 9085.92 1854797 676070.94 216717.48 1012345.81 1163212.5 823031.31 241120.75 976080.5 1468561.38 1164983.38 617292.19 268744.03 1004942 762306.31 462704.75 460715.25 838807.69 1673759.38 1017512.44 1087068.88 517877.12 308270.12 1552512.5 459291.25 1524746.88 528365.69 1535656.38 4633636 549159.19 1490198.88 337587.59 269499.09 394508.41 867197.25 1068702.12 1103934.62 579282.88 1679377.88 405884.91 927838 691566.81 363336.91 389860.34 956761.06 424289.34 252531.58 1095690 2316832.5 202483.33 235315.69 634441.75 543923.56 650814.06 385500.84 300417.34 1605748.38 263246.5 734743.81 306697.09 640534.31 661721.94 809905.81 512148.03 734521.25 251191.95 486190.66 382282.12 342115.94 Bilirubin 48060944 95583040 61235460 84167496 47707788 26984626 62246496 23992182 23372008 43468428 28198806 19251018 26320874 36314764 21192666 23753200 15519493 31349128 17573162 21097678 19805706 20913608 15149808 23390112 12106848 1581449 33434184 10619514 7851650.5 14017475 15541073 11073225 6773760 12675296 19976826 13543172 11799787 5439078.5 12364143 8791675 6966081.5 6605981.5 11943437 16046875 11450685 14295011 6112183.5 4408415 16802116 5086900.5 16023269 7309178 11439085 30093506 5123848.5 8437448 3130661 2267016.25 5268830 6270610.5 6707601.5 6766373.5 6669146.5 7855732 6982193.5 7244040.5 7741754.5 3383265 7894638.5 5852053.5 4949640 5412462.5 8211157.5 17036366 3602934.75 3078635.75 6694508 3480510.75 3571673.75 6959580.5 4172993.75 9889324 3255476.25 5083544 1841294.12 4064646.75 4293448 8022934 6337710 7565882.5 2632737 10126685 9037771 54180724 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CmpdID Pathway m/z RT Polarity L-alanine C00041 Amino acids 90.055 0.684 [M+H]+ L-arginine C00062 Amino acids 175.119 0.674 [M+H]+ L-asparagine C00152 Amino acids 133.061 0.698 [M+H]+ L-glutamate C00025 Amino acids 148.061 0.693 [M+H]+ L-glutamine C00064 Amino acids 147.076 0.680 [M+H]+ L-leucine/isoluecine C00123 Amino acids 132.102 0.712 [M+H]+ L-lysine C00047 Amino acids 147.113 0.617 [M+H]+ L-methionine C00073 Amino acids 150.058 0.709 [M+H]+ L-phenylalanine C00079 Amino acids 166.086 1.265 [M+H]+ L-proline C00148 Amino acids 116.071 0.700 [M+H]+ L-tryptophan C00078 Amino acids 205.097 1.781 [M+H]+ L-tyrosine C00082 Amino acids 182.081 0.711 [M+H]+ L-valine C00183 Amino acids 118.086 0.706 [M+H]+ AMP C00020 Nucleotides 348.070 0.714 [M+H]+ Adenosine C00212 Nucleotides 268.104 0.710 [M+H]+ GMP C00144 Nucleotides 364.064 0.705 [M+H]+ Guanosine C00387 Nucleotides 284.099 0.707 [M+H]+ Guanine C00242 Nucleotides 152.055 0.708 [M+H]+ Cytidine C00475 Nucleotides 244.093 0.706 [M+H]+ IDP C00104 Nucleotides 429.024 0.706 [M+H]+ IMP C00130 Nucleotides 349.059 0.700 [M+H]+ Inosine C00294 Nucleotides 269.088 0.707 [M+H]+ Hypoxanthine C00262 Nucleotides 137.046 0.709 [M+H]+ Xanthine C00385 Nucleotides 153.041 0.708 [M+H]+ Allantoate C00499 Nucleotides 177.061 0.641 [M+H]+ 5-6-Dihydrothymine C00906 Nucleotides 129.066 0.696 [M+H]+ Pyridoxal C00250 Nucleotides 168.065 0.690 [M+H]+ 4-Pyridoxate C00847 Nucleotides 184.059 0.706 [M+H]+ Nicotinamide C00153 Nucleotides 123.055 0.929 [M+H]+ Maltotriose C01835 Other sugars 505.180 2.190 [M+H]+ 2-Oxoglutaramate C00940 TCA cycle 146.045 0.763 [M+H]+ Glutathione C00051 GSH homeostasis 308.088 0.745 [M+H]+ 5-Oxoproline C01879 GSH homeostasis 130.050 0.695 [M+H]+ gamma-Glutamyl-Se-methylselenocysteine C05695 Gamma-glutamyls 313.035 0.640 [M+H]+ gamma-L-Glutamyl-D-alanine C03738 Gamma-glutamyls 219.098 0.701 [M+H]+ gamma-Glutamyl-gamma-aminobutyrate C15767 Gamma-glutamyls 233.114 0.708 [M+H]+ (5-L-Glutamyl)-L-glutamine C05283 Gamma-glutamyls 276.119 0.691 [M+H]+ L-Homocysteine C00155 Serine biosynthesis and one-carbon metabolism 136.043 0.708 [M+H]+ Dimethylglycine C01026 Serine biosynthesis and one-carbon metabolism 104.071 0.700 [M+H]+ Ornithine C01602 Urea cycle 133.097 0.617 [M+H]+ L-Citrulline C00327 Urea cycle 176.103 0.683 [M+H]+ Spermidine C00315 Polyamines 146.165 0.638 [M+H]+ Spermine C00750 Polyamines 203.223 0.639 [M+H]+ alpha-D-Glucosamine 1-phosphate C06156 Aminosugars 260.053 0.715 [M+H]+ 5-Guanidino-2-oxopentanoate C03771 Arginine and proline metabolism 174.087 0.705 [M+H]+ Creatine C00300 Arginine and proline metabolism 132.077 0.693 [M+H]+ Creatinine C00791 Arginine and proline metabolism 114.066 0.690 [M+H]+ 4-Acetamidobutanoate C02946 Arginine and proline metabolism 146.081 0.710 [M+H]+ N-Acetyl-L-ornithine C00437 Arginine and proline metabolism 175.107 0.706 [M+H]+ Guanidinoacetate C00581 Arginine and proline metabolism 118.061 0.685 [M+H]+ trans-4-Hydroxy-L-proline C01157 Arginine and proline metabolism 132.066 0.714 [M+H]+ 5-6-Dihydrouracil C00429 Panthothenate metabolism 115.051 0.710 [M+H]+ Pantetheine C00831 Panthothenate metabolism 279.134 1.874 [M+H]+ Taurine C00245 Sulfur metabolism 126.022 0.711 [M+H]+ 2S-5S-Methionine sulfoximine C03829 Sulfur metabolism 181.061 1.829 [M+H]+ L-Methionine S-oxide C02989 Sulfur metabolism 166.053 0.912 [M+H]+ Kynurenine C00328 Indole and Tryptophan 209.092 0.882 [M+H]+ Anthranilate C00108 Indole and Tryptophan 138.054 0.698 [M+H]+ Picolinic acid C10164 Indole and Tryptophan 124.040 0.608 [M+H]+ g-Oxalo-crotonate C03453 Indole and Tryptophan 159.028 0.713 [M+H]+ L-Adrenaline C00788 Signaling 184.095 0.698 [M+H]+ Serotonin C00780 Signaling 177.102 0.937 [M+H]+ Ectoine C06231 Inositol 143.082 0.709 [M+H]+ CDP-choline C00307 Glycerophospholipid biosynthesis 488.109 2.584 [M+H]+ Choline C00114 Glycerophospholipid biosynthesis 104.107 0.682 [M+H]+ Acetylcholine C01996 Glycerophospholipid biosynthesis 146.117 0.700 [M+H]+ L-Carnitine C00318 Carnitine and fatty acid metabolsim 162.113 0.684 [M+H]+ AC(2:0) C02571 Carnitine and fatty acid metabolsim 204.123 0.713 [M+H]+ AC(3:0) C03017 Carnitine and fatty acid metabolsim 218.138 0.710 [M+H]+ AC(4:0) C02862 Carnitine and fatty acid metabolsim 232.154 0.710 [M+H]+ AC(4-OH) HMDB13127 Carnitine and fatty acid metabolsim 248.148 1.801 [M+H]+ AC(4-DC) HMDB13133 Carnitine and fatty acid metabolsim 262.129 0.708 [M+H]+ AC(5:0) C20826 Carnitine and fatty acid metabolsim 246.170 1.804 [M+H]+ AC(5:1) HMDB02366 Carnitine and fatty acid metabolsim 244.155 1.792 [M+H]+ AC(5-OH) ac107 Carnitine and fatty acid metabolsim 262.164 0.709 [M+H]+ AC(6:0) HMDB00756 Carnitine and fatty acid metabolsim 260.186 1.832 [M+H]+ AC(8:0) HMDB00791 Carnitine and fatty acid metabolsim 288.217 1.885 [M+H]+ AC(8:1) ac111 Carnitine and fatty acid metabolsim 286.202 1.863 [M+H]+ AC(10:0) HMDB00651 Carnitine and fatty acid metabolsim 316.249 1.947 [M+H]+ AC(10:1) CID57357170 Carnitine and fatty acid metabolsim 314.233 1.918 [M+H]+ AC(12:0) HMDB02250 Carnitine and fatty acid metabolsim 344.280 2.017 [M+H]+ AC(12:1) HMDB13326 Carnitine and fatty acid metabolsim 342.265 1.985 [M+H]+ AC(14:0) HMDB05066 Carnitine and fatty acid metabolsim 372.310 2.086 [M+H]+ AC(14:1) HMDB13329 Carnitine and fatty acid metabolsim 370.296 2.047 [M+H]+ AC(16:0) C02990 Carnitine and fatty acid metabolsim 400.341 2.190 [M+H]+ AC(16:1) HMDB06317 Carnitine and fatty acid metabolsim 398.328 2.080 [M+H]+ AC(18:0) HMDB00848 Carnitine and fatty acid metabolsim 428.374 2.414 [M+H]+ AC(18:1) HMDB06351 Carnitine and fatty acid metabolsim 426.359 2.230 [M+H]+ AC(18:2) HMDB01064 Carnitine and fatty acid metabolsim 424.342 2.140 [M+H]+ AC(20:4) ac125 Carnitine and fatty acid metabolsim 448.342 2.149 [M+H]+ Sphingosine C00319 Sphingolipid biosynthesis 300.290 1.991 [M+H]+ Biliverdin C00500 Heme metabolism 583.256 2.050 [M+H]+ Bilirubin C00486 Heme metabolism 585.272 1.929 [M+H]+ METABOLITES_END #END