#METABOLOMICS WORKBENCH stephensondj_20230911_122824 DATATRACK_ID:4302 STUDY_ID:ST002858 ANALYSIS_ID:AN004688 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 Oxylipin Negative CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 20:80:0.02 ACN:Water:Formic Acid CH:SOLVENT_B 20:80:0.02 ACN:IPA:Formic Acid CH:FLOW_GRADIENT 0min - 0.35ml/min - 0%B, 0.5min - 0.35ml/min - 25%B, 1min - 0.35ml/min - 25%B, CH:FLOW_GRADIENT 2.5min - 0.35ml/min - 40%B, 2.6min -0.35ml/min - 55%B, 4.5min - 0.35ml/min - CH:FLOW_GRADIENT 70%B, 4.6min - 0.35ml/min - 100%B, 6min - 0.35ml/min - 100%B, 6.1min - CH:FLOW_GRADIENT 0.35ml/min - 0%B, 7min - 0.35ml/min 0%B CH:FLOW_RATE 0.35ml/min CH:COLUMN_TEMPERATURE 60 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE EI MS:ION_MODE NEGATIVE 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 12(13)-DiHOME 53094.96 82547.93 174836.83 92728.73 111575.84 80008.46 125325.5 75116.18 129186.29 143107.98 66350.7 97663.85 200561.75 88842.22 87265.79 98172.75 261680.44 283628.12 98368.81 143824.31 225608.33 165948.7 128943.5 121971.56 100796.59 22640.62 172166.77 119817.87 95327.46 70576.51 216411.5 145468.91 358574 181613.5 82280.09 99776.53 83063.16 187147.92 146084.62 82840.66 97784.23 66168.15 78910.27 83798.89 75563.66 166851.23 91343.97 94450.55 126252.76 100100.93 183046.17 62821 142940.02 81924.55 109552.12 117368.32 257667.45 300018.5 66638.82 115763.88 112486.23 95793.7 157763.48 128334.63 106178.12 112791.23 78414.47 95551.44 85448.76 197749.73 97618.47 112803.84 113231.87 91945.94 220498.8 149488.25 216096.38 112775.53 88643.66 127678.98 189915.11 71850.12 135191.16 201770.73 86207.78 85290.15 116607.48 199075.3 94331.13 111108.45 100699.23 109320.73 100339.73 85828.54 12(S)-HETE 1532997.12 293299.84 318151 1572566.38 156221.69 2132392 299193.53 2136367 1500540.62 214908.86 963360.69 105983.09 172175.41 1393806.88 101052.78 586033.25 135815.42 94877.82 668352.31 45495.56 229974.75 170959.3 1373084.38 197775.58 48423.97 0 61309.98 51947.45 18816.38 855395.44 174083.05 83837.21 23810.47 536677 83654.14 485728 1418991 144918.98 419757.28 109407.68 287904.41 1061857.38 852474.31 2733160.75 2689071.75 44956.45 952477.31 246527.5 79611.69 3140816.25 760945.69 6269872 1180802.38 615202.88 154488.89 2034304 678831.25 2509443 2223902.25 4647949 2058190 1478165 2078787.62 35163.22 584812.81 2497004 1451707.62 1512516 3128231.75 1389738.5 364008.25 1987669 199688.45 1754114 215535.75 1008013.75 239210.45 658983.69 10495953 10110801 1328819.12 671078.06 2314841.25 451376.84 995266.19 2378393.5 2798901 205257.3 207177.31 1055414.12 120117.05 1574524 52905.68 393071.25 13(S)-HODE 94498.69 167712.25 308153.69 251623.56 284124.44 188042.3 251419.38 402391.5 205592.55 137953.88 212920 146155.53 360457.91 283997.03 197731.05 157090.83 353948.09 258925.02 287403.31 255198.89 392507 202662.55 179867.73 166631.86 192865.38 23061.68 302181.5 167777.67 168567.39 111305.79 295822.25 211311.02 213699.77 229242.27 174987.2 129617.48 128264.98 74783.47 208239.42 86721.49 132840.62 128691.44 157580.95 113750.59 119696.77 198704.58 158168.67 138568.95 194949.31 161456.2 196444.12 152203.56 245185.08 82822.74 191725.55 192100.75 368271.5 176745 92681.34 213834.17 194824.27 179080.05 249982.25 204799.05 271540.31 160384.67 99596.71 237467.02 176934.27 350433.91 142370.03 87787.1 139230.3 91101.66 328002.53 217750.62 150413.92 125056.93 255306.81 409976.78 147965.89 83571.6 138069.94 177386.2 86058.83 188277.38 204673.14 380335.59 199074.14 405072.34 53458.06 223164.95 167707.31 129359.93 13-14-dihydro-15-keto Prostaglandin D2 18363.75 8476.87 9166.95 8221.42 4347.42 13830.68 4725.47 14055.27 8643.34 3387.84 9623.07 5665.8 2424.08 6991.56 1762.09 11377.02 3963.01 5020.2 8678.57 4151.1 2400.81 4837.51 22419.78 10398.41 3084.68 1245.12 5214.73 2362.23 3935.4 4975.83 6378.17 2458.2 4094.63 5316.12 2121.45 8201.48 9676.09 5508.73 8616.21 3574.42 6411.67 8515.04 7956.16 12361.83 20700.43 1476.21 6160.48 4857.46 2870.53 12704.07 8400.39 43079.29 6933.37 14135.23 4826.23 14611.68 7157.33 12257.7 15032.35 20018.37 9047.77 8942.97 8853.38 4898.76 1846.19 18335.41 11589.27 10862.09 15214.44 8852.84 4210.14 20052.33 3698.6 21950.72 5766.08 7429.67 8096.45 9034.49 39586.96 37406.42 12169.57 11610.6 22376.65 7877.28 13434.28 23929.39 27372.77 7384.39 3811.11 6167.32 1579.61 10890.5 4113.22 3572.63 13-OxoODE 85329.38 121574.47 111429.51 105920.09 169103.45 93942.29 234683.86 90852.48 58719.36 199582.02 75652.45 47197.57 111090.72 85976.16 62392.91 55585.25 140277.38 105959.71 68967.43 42453.41 65352.33 99613.38 21651.72 58980.02 63506.92 7773.73 77430.41 77870.75 24994.06 43620.2 52536.82 42052.36 106922.1 82415.05 56595.84 60875.27 42529.04 10899.5 38484.8 46562.86 33125.52 39421.19 26693.08 54392.16 49039.21 38675.56 19255.3 38886.02 54185.99 42973.8 46882.37 30689.61 54888.36 51522.46 38015.15 60967.61 45274.28 19221.89 35659.83 40256.89 36371.09 32424.57 33620.67 41630.32 55175.68 28524.9 21888.54 21134.13 32601.13 71758.95 32891.5 31948.66 35268.25 29312.06 60573.75 64198.11 48169.62 50369.86 30076.85 64151.12 24274.65 28542.25 41501.36 48294.3 23649.96 28963.59 31240.14 111142.97 83889.96 71944.02 25987.4 60477 42464.71 53269.06 15(S)-HEPE 13606.18 6343.19 12746.34 23850.94 3941.74 22706.28 7399.97 22711.97 29107.58 4558.24 19410.96 3967.44 18926.02 12999.29 6498.46 4779.28 4522.18 8876.86 25833.45 2988.43 11652.92 14665.77 136034.62 11295.05 5598.21 2674.69 13426.61 7584.13 19807.73 9904.34 9261.9 14237.32 6644.83 10890.06 6976.24 9102.66 13861.96 9539.34 10441.24 6951.67 7093.42 51364.51 15068.3 43174.01 23241.8 18146.86 20947.25 25983.22 26831.68 61565.08 16897.72 128363.94 64736.78 11506.93 9246.58 35635.48 12311.04 59078.5 30970.12 63953.64 46129.14 23220.42 81742.16 8069.3 20375.74 41176.66 25760.08 33891.44 44617.98 21129.58 7744.45 20105.53 8279.43 41732.68 13795.04 19086.51 4250.24 14895.68 231073.06 507741.34 15239.87 8679.58 24459.34 7121.74 10977.85 54550.27 42127.73 8061 7415.06 13816.97 4220.22 17368.83 5347.57 10994.83 15(S)-HETE 70847.09 18792.8 45439.93 59492.04 26301.88 70848.25 28196.22 68188.02 38059.55 10070.46 39737.27 22867.91 22099.99 58338.75 13831.28 34963.56 11254.79 13637.2 34792.54 9856.54 22569.29 17736.13 77999.59 24070.41 14103.12 0 11835.99 10421.81 2062.63 33726.16 17225.38 10455.86 9381.47 12886.65 9889.1 19114.89 49136.95 12259.25 31955.14 16103.48 20720.96 26452.59 44227.03 73813.45 86688.56 12995.3 27692.29 12155.62 16129.62 78031.44 30826.65 250283.75 53578.75 24601.88 16002.73 53020.78 19491.59 72318.29 53969.65 152123.81 18501.53 42333.73 63153.21 17028.91 19325.24 85696.63 42526.66 49870.64 67617.89 42252.62 18374.16 52542.61 11151.34 59948.06 20954.75 36889.12 13853.73 33179.67 197297.88 242648.33 35869.27 29662.67 65673.23 14401.91 31397.12 90832.62 100444.91 29251.91 18902.99 37235.6 7125.12 51096.09 15018.69 22089.95 17(S)-HDHA 21006.47 2137.7 9546.87 68951.7 4415.1 71119.51 15388.11 52285.08 38308.8 1729.76 58313.3 1615.79 4963.55 17718.75 4183.61 1897.36 5336.65 1542.09 4581.71 1840.75 2466.6 12835.25 123253.84 2688.52 2798.59 0 2462.56 4371.68 3631.58 3116.03 0 11666.74 1130.32 6292.79 0 5281.97 12576.51 0 9273.19 2071.77 2252.54 151423.05 25058.86 109722.41 105279.12 2060.89 19864.47 12220.62 9132.85 145934.83 50319.14 534907.5 466375.84 29928.08 6343.64 90035.38 0 259461.48 36715.02 200409.31 97105.13 68886.06 374513.22 4370.66 60903.41 90067.73 75280.6 122131.29 109855.07 12114.46 1658.38 0 22384.24 121419.85 23014.54 49515.71 0 70988.09 395825.66 927936.25 35396.39 7257.33 55925.33 0 6409.17 181006.25 82379.37 3188.56 9927.5 40444.44 2022.42 61537.11 0 11177.3 5(S)-HETE 29813.55 4230.31 31881.67 11216.69 13301.92 30024.67 12635.79 6820.44 7929.35 1883.03 6533.45 16521.61 9788.55 5582.18 2419 10054.4 1869.74 5160.75 7000.47 2216.52 14403.59 6216.09 7673.41 14190.21 2103.29 594.89 4593.78 3078.22 0 3475.24 10441.9 3312.33 0 5327.8 1925.1 3775.18 11433.42 0 13528.95 2729.01 0 13273.48 8221.52 16464.47 23662.35 1972.2 14043.57 4994.58 5249.19 6359.75 13910.61 19914.94 19029.04 15771.77 8800.71 8438.71 3496.36 16897.52 8548.66 13809.25 56075.09 10485.85 18927.73 4402.52 46810.23 5531.29 11215.14 15237.46 13259.88 7120.07 3622.38 5812.15 12832.93 11274.37 6217.18 6183.94 0 9419.71 19419.86 68247.54 19179.91 6691.99 10178.73 0 6551.27 18219.45 10352.23 14193.2 2625.46 2042.25 0 4009.14 0 3579.47 9(10)-DiHOME 29278.01 62997.62 126273.65 81866.43 89743.9 48897.68 98029.91 75823.91 91328.43 148833.08 54060.75 109285.03 164909.52 100605.79 58059.36 60036.61 146073.09 367165.25 126434.03 118178.43 174311.23 85465.71 85396.15 71488.48 72586.4 14684.47 209588.2 81499.16 107502.02 64441.36 181031.45 142990.45 253611.45 234319.39 65103.79 86146.84 91353.04 121625.04 118631.85 64835.29 100157.72 59856.22 70893.47 65091.14 60473.67 119905.12 71428.82 81324.32 81710.7 85125.43 102657.75 59740.24 129948.81 44196.57 122162.27 126540.19 303080.03 284058.84 74368.12 100569.41 130447.51 88131.74 129332.88 141803.05 90140.16 70645.09 46606.07 157229.45 76311.81 782327.44 105777.32 89014.79 103992.81 72091.55 178768.62 118571.96 136212.06 126695.41 77066.1 107363.78 259016.88 64581.76 78154.91 155705.67 68500.54 92779.16 104612.98 136234.81 75915.21 243989.88 50529.56 100511.84 71879.35 52581.11 9(S)-HODE 88608.76 122151.93 221720.86 206761.67 250762.06 168142.12 217413.17 362478.16 160143.02 137701.08 185450.67 117118.01 315558.75 285982.03 123143.37 129844.19 351908.47 244808.23 190506.05 151019.8 299689.16 172691.58 151763.7 135644.67 137727.25 15319.26 224906.94 133568.25 158583.47 107085.84 231714.88 156232.12 216522.58 227184.3 112604.41 110678.7 115843.66 62970.86 157751.98 72099.24 96297.31 96346.01 150390.67 135632.89 112695.79 130448.12 119374.47 106409.59 116814.37 127707.85 152847.12 175196.98 202149.7 68415.53 157961.16 180805.8 360837.03 103226.09 85451.29 246161.67 153532.97 155245.27 171989.7 164628.08 178781.05 196835.81 96221.99 156650.77 153687.48 291512.88 102439.76 60826.81 93382.72 48600.75 343398.12 169454.56 116777.55 113647.82 315929.88 347330.72 105973.98 62473.68 105427.27 136574.39 66488.84 183933.14 195685.62 417789.28 137206.88 271237.78 29084.23 167947.08 115596.3 121307.48 9-OxoODE 12321 18202.53 42319.05 26014.35 32877.56 34184.41 36396.51 46460.72 15011.82 20158.44 24252.98 22753.95 40097.86 26496.33 10279.92 13234.58 35680.67 30184.09 19943.33 13571.16 19617.85 21062.97 9046.89 10573.63 19527.11 2954.07 29748.69 14949.62 12599.84 22188.23 19445.48 14192.98 28684.5 25851.63 14759.22 12025.7 15710.73 11680.61 16471.35 12202.36 11444.23 14571.2 17040.72 17680.81 12659.34 12735.05 12234.89 38695.28 20588.75 11883.56 13149.89 10513.3 19251.57 16920.99 20669.7 13773.07 17603.21 9253.29 12370.36 11304.34 17705.69 21162.7 19707.55 19403.04 51045.19 18209.86 11856.2 12925.65 16483.38 27970.06 14736.88 12296.37 15658.81 17322.97 28338.42 18867.76 23550.75 20733.72 15706.63 13292.03 12609.22 8574.53 14036.56 18651.4 11977.96 12091.78 14684.32 30001.51 12378.3 22819.13 11421.18 12931.56 15285.3 16442.62 a-Linolenic Acid 456868.78 1339789 1425376.38 2087681.5 3425082 1183031.38 2380795.75 2922505 2546607.25 886030.06 1700893.88 710491.25 6217196 2248626 2064477.38 802977.5 1170202.38 462240.09 1574472.88 2268651.75 3853461 3700805.75 1055698.88 1898461.62 1718001.12 4410.29 2971648.25 1806910.62 124860.18 761937.31 1880021 1106698.5 382560.34 2122814.75 1372184.12 1358652.5 924926.5 149634.39 2075114.5 625492.19 580588.44 1655517 1419755.38 1344283.88 534911.88 947367.81 1502491 379156.66 1841147.5 948077.56 2250249.5 888348.44 1633386.88 320500.34 1452139 1782146.38 154183 135976.06 266532.72 1872220.38 2574161 1954584 1277052.12 2448086.25 1247242.38 1591422.62 1065188.38 920208.19 1350334.38 1713696.38 985984.19 159378.3 969375.56 298648.28 977975.06 1617153.12 260823.3 767596.69 1294044 2279789.75 727605.94 336237.22 241875.45 311362.41 366747.16 1566068.88 1375796.62 1094352.12 2149990.75 2178037.25 98377.13 1276269.12 1104417.25 2361682 Arachidic Acid 17193.57 4190.47 6982.88 7756.27 2682.89 0 4416.56 9553.53 18054.75 1128.57 6363.61 10240.12 12242.31 6991.38 8330.96 8041.18 1780.58 2431.85 17445.29 7199.98 8939.84 14344.64 6047.3 12324.51 22838.24 8335.57 14272.4 6699.83 1861.15 15234.49 15664.28 3985.61 7749.58 6458.06 12934.55 8170.88 14631.79 0 10078.06 10482.14 8607.14 15511.47 5111.47 11092.52 13098.01 13497.44 23111.07 8504.39 5238.26 4492.61 8987.5 2763.09 10183.68 8047 10301.52 6798.71 5275.08 6545.44 2780.7 6110.19 4823.64 4950.24 8066.18 5387.26 7815.49 4919.18 2370.97 10407.25 4752.83 2399.16 1795.35 1924.48 5510.71 4114.61 2089.65 9338.15 1180.53 8240.88 8346.61 14703.14 13672.59 1061.48 5853.67 4361.77 17347.11 11384.09 12798.79 6265.12 10816.67 16388.29 1983.22 5711.46 17196.42 9680.83 Arachidonic Acid 28190542 23809582 36015420 29066338 31419232 39042396 21551666 35445588 35626220 23314774 39686880 13291120 39554100 29647402 30316008 21884612 13984153 10172268 33288838 18232186 35818752 29177520 34772820 24934198 16302293 63174.86 24142440 19837750 11849951 18396012 24436698 15066197 11658960 29508090 20665376 23362632 21102174 9448655 31206600 19456336 16494005 20517536 23864064 32085290 27986208 3730471.25 20769368 11565808 16705951 36948628 26626088 39870972 17740430 12227576 31895914 26934098 10048745 11995227 14603843 47608268 33113806 38168688 59765392 16930144 23636346 20415034 16816286 26928280 34526028 38636348 31184054 18675042 13444755 20167282 12801952 42365760 11284749 16533065 19328898 38363804 31496762 15986051 25244368 11971000 15768432 23622544 30762302 21167226 18643194 32971074 7034533.5 33373994 15775048 55732724 Chenodeoxycholic acid 71154.62 100562.66 367926.88 649661.81 385117.25 140173 100862.59 123908.38 25003.82 670474.88 179815.36 574312.62 37699.4 78355.23 428947.16 440062 219360.08 3902580 316703.97 618505.19 58580.75 454896.84 204075.25 358832.59 1131724.5 0 2318584 47662.45 212586.02 335363.5 182063.86 1380435.75 100798.41 39996.51 97335.4 131979 153633.39 407922 607660.62 194606.75 1446686.12 2422710.25 50199.11 622813.81 781458.75 1332153.5 325165.16 69803.63 488317.03 253061.08 187762.45 629901.81 1125130.62 2532363.75 31179.61 356402.59 199016.88 901497.69 139093.39 305447.66 298243.66 118380.2 260789.94 1688268.12 247815.58 152810.81 369212.47 209630.55 244248.62 160542.77 256695.36 62951.07 648059.44 2423445.75 1209378.12 257069.11 5938146 285784.16 416978.91 160869.58 1907665.38 1335569.12 3225890.25 6190702 613797.44 469216.91 404807.12 149597.23 1171756.12 115817.37 244785.52 192815.67 503864.59 44333.91 Cholic acid 302106.22 81293.27 2696509.75 1045167.19 805870.25 184433.56 172889.19 319357.97 77245.72 948123 415090.5 1549958.62 82525.99 234851.33 443963.84 507084.16 682211.56 3733266 376493.25 1851660.62 138432.23 691734.19 109386.2 736354.75 1995558.62 0 5290958.5 128498.82 195512.17 294920.62 91669.79 1883241.88 554185 126118.6 222567.5 128205.62 276057.66 258387.17 939922.19 245861.2 2301072.25 5163411.5 40554.08 192664 1073742.5 1537703 360980.09 121835.78 316977.41 106725.05 136901.64 276670.53 184999.31 9137565 62367.78 115214.57 311577.56 1278387.75 102996.97 46309.43 357251.97 65597.98 892758.69 555718.31 245997.58 95645.23 134899.06 482378.22 91217.95 58689.46 38666.92 210401.17 121533.66 1740603.5 767053.44 120867.84 12087339 198092.05 236503.7 32261.33 571125.44 2251864.25 1717848 12679308 263045.12 287675.47 150398.36 294008.22 793270.19 235359.33 314794.84 274422.91 1555003.88 271936.66 Decanoic Acid 577119.94 1174420.38 439651.91 2053252.12 741071.69 491440.59 753805.81 263393.34 317153.5 1042605 357653 575889.56 408587.75 225247.98 1315711.5 669977.19 943634.19 447856.84 442079.03 287804.22 444977.66 303616.28 343353.09 544511.75 1491532.5 5600.73 229556.56 490671.91 172661.34 795902.44 301635.34 398697.34 743917.19 557422.19 677027.94 125108.6 308881.53 134339.95 297333.28 1327052.12 632500.69 120636.16 674229.31 155550.86 638189.12 104696.68 75405.7 484345.03 227480.95 563964.19 324581.25 191803.23 213960.75 229247.31 1058078.12 185998.64 46722.4 60371.89 99165.97 305357 113309.93 1281853.62 438561.75 419303.09 123573.74 219789.69 221650.58 97966.1 708284 139672.44 841992 580009.06 368983.16 187894.42 183725 542034.94 84374.12 1352161.5 241293.39 360875.16 1011637.19 99189.57 730646.56 95676.91 972624.69 312978.53 1167581.38 421136.59 641805.06 212264.55 78817.41 202337.02 438334.09 222669.42 Deoxycholic acid 1668127.62 2728492.75 1304686.88 2151525.75 1883953.88 868954.81 1283240.75 1680957.12 1495443.38 2351384 2047270.88 3085417 1277835.62 1699677.12 2464201.75 3267500 1208335.5 6833290.5 2413944.25 3598828 3174009.75 3880375 11583048 4903620.5 2480024.25 40881.35 7215917.5 1726897.12 7107473.5 1238944.38 1150223.25 3284032 170160.25 1506786.62 388391.41 2915840.75 1628133.12 859498.5 4268556.5 3594641.75 4307298.5 2319078.75 2348867 6023380.5 3991746 5883380 1449829.5 2566389.25 3762109.75 852744.44 3308970.75 7211916 2727753 5352804 2383442.25 2814765.25 1897484 2984586.75 3126863 2264997.25 339332.88 3693911.25 2539518.75 7118853.5 955801.31 2689790.75 6808927.5 1362669.12 4577901.5 3144920.75 5595399.5 2214674.75 2390842.25 8226492 3804341.25 3154671 8159655.5 1676971.38 4872059.5 4486945.5 7134112 2528846.75 6812520.5 9134700 3150818 5603985.5 4292990 1449214.5 5451321.5 831176.31 3845684.75 2302673 494401.78 2180170.75 Dihomo-y-Linolenic Acid 135495.38 187164.44 244641.5 257362.55 213272.12 175007.95 157707.31 174817.38 216101.5 90205.4 205480.75 146318.27 434612 175384.38 259775.98 143916.2 94585.66 78919.6 153777.98 190791.17 241862.75 131962.86 115481.88 97940.81 170223.92 0 124806.53 185678.23 27138.8 113916.16 94457.88 126051.21 51257.38 202000.33 176622.58 116330.66 141594.14 25392.31 110835.3 111761.87 104206.05 103382.74 169646.88 129329.04 103168.21 59834.04 137245.42 59128.81 130616.96 145417.62 165374.42 137488.77 108647.02 66062.81 197554.98 271158.62 22765.11 45608.76 59125.75 255973.55 154621.56 201789.02 203285.19 130711.34 151966.22 138724.67 93910.66 113890.77 173924.42 236087.12 196293.39 49253.92 73852.97 60556.56 47026 260585.58 45145.38 141600.61 121829.29 232375.88 106587.37 59430.59 50776.5 48617.88 70928.55 143950.02 172551.89 125046.4 173388.19 216299.33 73732.34 182347.73 119302.32 428890.34 Docosahexaenoic Acid 4180257 4875487.5 7765594.5 5805080 8533594 5649854.5 6681140 8273577.5 10132147 4577312.5 6700530.5 5142605.5 15125989 8682353 10063519 5059302.5 3949667.25 3236741 7546640.5 8801459 14356512 14875937 21969042 10168372 9179377 71918.92 9594272 8120574.5 6032054 5163605.5 9266728 13874653 3520679.25 5810703.5 6856344 7315141.5 3968076.25 3463551 8140894.5 4470678.5 3804980 7207218 6968236.5 6475652.5 4779727.5 5542711.5 6337000 3636942.25 11340469 6054752 12996440 4921631.5 11133581 4152670 9398617 8162396 1388922.5 1771837 2623917.75 8536727 8347232 12618824 10701852 10616103 7490046 8211010 6955624.5 6200852 9421955 8630094 8955253 2498663.75 6437581.5 3061730 4760279.5 11064885 1266179.5 5013488.5 8332856.5 11775379 7031352 3085711.25 3579775.25 2404119.75 4802928.5 8977806 10511049 4904974 6708942.5 6709911.5 1488457.12 7496741.5 5416466.5 13484735 Docosapentaenoic Acid 388113.75 687520.69 1087333.38 686243.62 1420929.62 762065.56 885826.5 1559022 1688489.38 432222.41 1569908 547914.75 3272518.25 1559251.12 1201705 393758.97 280997.84 170315.61 1021891.81 1116144.62 1893878.38 1162923.5 2223716.25 1078694 884113.19 0 1027922.69 1059911.25 156679.19 366248.97 644937.25 1475181.88 116620.53 1056304.25 1009777 638759.12 435344.91 99453.03 827067.81 442184.97 330209.56 464248.22 872987.81 714234.94 321225.31 206919.62 482428.5 186315.3 1021514.75 705192.25 1458844.38 665252.44 968884.06 217330.25 1201503.88 1278535.5 45360.39 96263.23 139126.17 1188149.88 1147263.5 1279609.88 1271205 1510717.88 947619 953790.19 488575.38 548237.31 737403 1343613.25 806062.44 160499.61 468939.16 159717.11 340614.59 1534866.12 211116.36 465666.28 707824 1666245.62 587811 155197.39 125578.98 175209.27 248924.77 1065172.12 1169667.88 581564.44 847675 1554067.88 131696.14 1189167.38 460423 3160346.25 Eicosapentaenoic Acid 346416.09 431872.38 1043244.19 632081.94 864050.94 569501.12 630229.88 1064120.12 1184228 317861.5 589823.94 309761.34 2453302.25 845105.5 836342.19 499756.72 253489.39 240808.86 581706.62 604584.25 1485320.38 1276111.5 6026287.5 849492.5 560623.38 4077.48 1116328.38 729618.31 1345626.5 472373.88 898903.25 2546949.5 179202.05 812869.69 588749.06 626752.56 379461.84 347819.91 973328.69 326241.66 388587.5 955366.06 1133134.12 892196.44 401963.91 466890.5 838867.5 373371.12 914635.69 774860.69 1219453.88 675441.12 979418 386633.41 977516.5 1003817.19 174293.36 279860.72 382271.59 855663.25 868255.75 1080691.88 1227200.62 957106.94 666635.31 878433.5 690655.69 793223.19 1009209.69 974185.06 517126.72 200265.06 632778.69 453502.5 615875.19 1112340.88 148090.02 533418.12 897085.56 3227518 538936.75 394593.47 357647.72 196541.83 318222.5 1026838.81 1106036.38 537046.31 557323.94 757793.69 182532.06 711388 412408.59 1285164.25 Glycochenodeoxycholic acid 13705729 6066379.5 4115779.25 14354000 4430389 23736114 28347232 17156902 946026.81 27131206 25292818 10251171 6531390.5 6213406 4845479.5 8728391 17361290 30978042 25056186 5654900 1184923 16583733 7003400 8207703.5 9469900 10274.2 14446897 1379230.12 4325841.5 6075780.5 9695789 5014519.5 22193878 2989876.25 2749397.25 11892477 10851763 8564209 7918594.5 24105200 8071165.5 13431153 922709.81 12806416 6020008 12183205 4504342.5 7018033.5 19888496 1793370.38 4419732.5 4050397.75 13376175 6426160 1620711.88 1985897.62 61861676 75584344 19465930 3908852.75 8885845 2932723.75 1900044.38 17238222 12271357 3344820.75 5181702 11670029 1746798.62 8427329 1996420.62 3864492.75 20586784 15931180 31557178 4648404.5 18060438 4352244 1897390.38 1348240 7939042.5 5348312 19557210 20825320 10542301 2214947.75 2356995.75 13271361 10026026 6819078.5 10411533 8751459 10722407 2246415.75 Glycocholic acid 1989524.88 1077057.62 738957.44 2842435.25 238648.36 3260293.75 3954028.25 2978098.25 414180.53 3293682 4061546.75 2406927.25 1702942.62 1012186.25 675273.44 875235.69 3865089.75 3787332.25 3651219.25 1650816.62 336033.41 1392542.88 650043.44 809838.69 1925547 12712 2728180.25 923160.31 483800.16 511094.97 850384.69 374507.38 5286236.5 764831.94 753663.19 1959578.88 1855107.62 716714.31 958990.06 3452255.25 781388.56 1473265.38 596677.44 1410883.38 262481.19 3149286 803468.19 1915814 2751003.75 166355.48 722870.5 396704.75 1325776.38 2315276.25 231410.58 232883.75 13326024 17039674 2337392.25 378394.72 1589457.12 430919.16 874827.5 4998876.5 729675.5 852422.25 539837.44 772766.5 509642.5 1035605 181181.39 450540.78 2754376 3849237.25 3675138.75 380523.5 3555668.75 250907.06 171436.11 245253.52 632375.5 1532830.5 2718597.75 3696150.75 1016497.75 228418.45 183607.95 1578642 1367000.5 648579.56 3109242.25 1787543.5 2918179.75 2200327.5 Glycodeoxycholic acid 2932380 1736105.38 1348902 2031538.38 992919.5 6851444 10355237 8016722 795705.56 8367493.5 20853436 3884057.25 1941218.5 3086037.75 2355728 5434945 4203758.5 10254185 15252456 5446817 1203512.62 11021268 9424881 8356466.5 3957482.25 7215.23 8583583 1091648.38 3837522 1762102.88 3075122 1470640 1928785.12 1053039.88 526709.56 9644673 3175272 1090493.12 5610612.5 17467420 3332205.75 2278637 534453.81 8123216 2338852.25 9464001 1108331.75 5784232 9249849 341474.66 3870334.25 5425520.5 4246223.5 2668785 1542868.62 1080987.75 19515458 21473686 13671743 1630818.5 993639 1993392 1412379 13799989 2403551.5 3277085 7235610.5 2462055.75 2108764.5 7978175.5 1631630.38 3255593.75 6860679.5 5386268.5 12436300 1513292.88 6355145.5 1338444 1622273.12 1106442.5 2553304.75 2843732 8815691 6863176 3426208.25 1743996.62 1486948.38 4148668.25 2979657.25 2591388 7448562 6615584 1105441.38 1911776.88 Glycolithocholic acid 363287.34 127055.21 28907.86 126520.56 53698.11 132025 340563.97 596793.62 55459.07 329995.03 880088.81 29692.12 74549.56 59141.84 58776.45 98005.3 382951.5 750064.19 481670.34 17397.79 44298.96 149142.02 745038 175251.02 50640.34 0 78522.98 49723.14 229377.7 228522.62 154908.86 154153.88 426207.59 137775.31 37540.29 311216.16 261613.83 32737.91 298723.03 1295696.38 427222.09 113362.4 119648.37 37147.75 245229.23 61456.32 79780.55 294826.03 192493.7 23105.12 63515.53 70310.42 264269.38 60545.37 216572.75 44961.62 1111953.38 2592985 429664.75 75718.31 18507.23 102008.12 62455.96 1277797.38 316780.88 209616.23 431505.12 261141.77 193433.2 159731.5 103997.93 149361.34 615248.94 121542.16 377637.41 286658.47 246316.92 109414.48 86783.12 92699.96 528918.81 13761.59 69530.13 281460.97 110502.09 100896.09 107609.09 392696.66 132169.42 28770.7 962070.25 238181.17 71725.8 17880.2 Glycoursodeoxycholic acid 1290870.38 1276033.38 312606.34 3275798.75 1461620.38 1946445.88 1594816.88 906733.81 42581.38 1788667.62 867901.44 1175141.12 300105.72 421502.91 779673.5 1157247.5 2038468.62 5909880.5 1130125.5 1030986.31 85678.71 510712.5 744072.69 335573.06 2130643 0 1195198.12 127385.05 1072024.12 554719.06 175741.36 405440.09 966213.69 484066.66 216636.92 499050.34 925394 613560.69 522626.09 3223054 895925.19 685854.19 46815.98 2080079.38 1525350.88 1241632.12 341875.28 607122.56 871577.5 193929.95 515818.41 545568.5 470258.09 1265234.12 116535.12 650285.44 3309120.75 4574247.5 1382137.38 794212.31 364260.41 252353.06 177947.58 918605.94 598322.69 413684.28 490099.12 803887.81 243454.88 812228.69 689117.38 204844.62 888503.5 3126056.25 2510290 525380.81 2869047.75 445033.91 999623.75 363806.97 2826909.25 1320465.62 7970432.5 2874232.75 3149040.75 1422880.38 1822142.88 787536.81 839168 246763.88 918311.06 150595.22 1246715.5 247082.81 Heptadecanoic Acid 21333.33 14641.4 16804.04 15751.14 14056.09 5268.95 9281.59 21551.65 21723.28 8413.55 27002.52 9323.53 46053.14 16517.37 36948.27 13657.49 29196.12 8798.53 25622.03 32281.14 22095.89 9785.19 13870.73 16879.41 27981.75 1380.33 19754.85 22886.08 14401.79 10601.56 12942.01 22318.8 17256.98 23330.95 33747.93 19771.76 22001.74 6066.93 11300.11 43691.61 21362.37 17500.66 32172.98 33885.96 7835.94 10653.34 8151.66 6243.3 17794.07 75837.32 14331.26 15707.3 13401.3 7059.38 35024.03 24603.3 2560.38 12176.28 5232.78 71564.7 14849.52 46585.39 98230.09 28313.85 63461.39 29765.05 5000.67 9917.89 8394.25 73786.57 78009.78 74707.62 34213.5 11144.25 28678.89 72098.88 72160.37 30760.9 12399.22 16496.06 73604.65 18434.73 26116.47 44134.74 15554.36 19151.19 23103.23 12268.04 25931.85 30583.79 46636.33 14790.1 39012.11 246068.31 Lauric Acid 94791.48 94842.12 158425.58 198154.42 195836.8 192670.98 205188.5 350810.16 312733.22 193034.3 198402.89 124989.38 659111.19 353647.38 159156.02 180194.77 163598.33 159917.05 407960.84 119308.78 346696.97 283948.88 171976.12 212384.95 145258.36 23969.96 294425.78 200630.64 13498.01 208860.19 292591.34 143261.36 65231.02 216690.33 143236.95 115292 161392.14 41447.5 282987.97 88976.22 113963.25 192906.7 201130.73 174218.64 97223.44 154429.67 148597.36 79232.52 196303.38 128489.28 176382.58 92050.1 204364.38 110994.53 279154 221798.88 135929.62 205744.5 47500.38 258885.73 183724.08 249997.2 196223.98 195966.56 102328.02 176650.3 94273.25 71503.45 163210.86 133225.55 169401.59 30940.4 165920.05 88842.49 296593.66 254905.2 48323.23 167181.14 143125.05 340873.28 94742.03 61387.39 94774.53 32043.35 66617.9 144116.25 220800.38 251220.75 192583.02 261133.12 21667.95 214261.56 109519.02 201522.45 Leukotriene B4 38768.32 10379 37639.64 7294.99 7529.83 18381.39 7296.41 10950.53 7808.92 7371.8 14400.83 35268.77 11635.24 9667.9 7572.34 11759.08 4782.17 4404.82 13025.99 7638.69 12534.23 11062.88 17782.82 16831.87 7133.08 902.98 14834.79 10937.93 17614.19 11481.06 13671.6 7981.11 8203.86 10438.4 7477.47 9663.95 25993.99 9742.9 17390.99 8017.15 11075.43 28233.21 5966.39 27449.01 24400.59 27889.3 18705.2 34963.84 8935.41 16157.49 5856.66 31599.41 33722.7 37481.81 6064.24 11222.96 11473.13 38418.96 15741.64 10771.05 81440.93 9471.46 13219.19 6146.12 75789.46 15473.37 12744.83 29245.41 7717.93 11856.39 9126.83 11577.26 18073.09 51087.62 16739.73 11828.83 5409.6 22124.74 24478.51 97399.9 35050.67 12357.25 18904 9667.37 15887.89 17305.62 18154.12 25775.63 8423.42 8221.45 9507.74 16018.95 10468.99 9890.89 Linoleic Acid 5000864.5 8057830 8990764 8189904 16021065 9031077 10386167 23266070 11948933 6433803.5 18883030 6505018.5 22242042 22343248 10606932 3866698.25 4970140 3490442 12136547 11889683 10199369 9827671 6250453.5 9816776 10132749 11787.12 11805616 7275647.5 917065 5145952.5 7950000 5447069.5 1970183.62 12154092 10584773 8514381 4712446 619569.19 9556709 5254176 3291727.75 3137052 6155844.5 6035648.5 3721664.75 3316861 5081916 1668957 11947868 6385424 8527200 4557981.5 13226928 1920352.12 8456280 11274671 975774.81 736960 1677072.88 8926543 8353085.5 10318625 8707298 17556522 7701075.5 6715292 4201517.5 4019966.25 6900330 16686979 7960990 2248110.5 6745766.5 1581921.88 4587905.5 12028340 2908260 5829698.5 6943930.5 10885650 5401615.5 1558986.12 901008.19 2414069.25 2579578.75 11459212 9162345 7667751.5 8614127 20352714 1173507.5 14216695 4935594.5 17910806 Myristic Acid 584524.88 801101.19 1431065 1226437.38 1276457.38 1445116.5 1131732.5 1342317.12 2224591.25 520076.03 1064447 870967.94 4132097.25 1242569.38 1276224.88 1125673.62 435185.59 285598.34 1241628.88 1483693.62 2320585.75 1444186.38 817903.19 1128632.62 1429777 70513.84 1685841 1370242.38 150632.77 967326.25 1419249.62 908443.19 234870.17 1419342.88 1106101.5 886570.5 870957.69 124322.77 1332406.62 498805.12 553231.44 1104018.5 1224403.88 1019875.94 610414.94 669433.5 859233.5 376499.41 1230406.62 868965.56 1538974 640879.94 1142569 519635.12 1212606.38 1589891.12 179456.19 185159.77 233900.61 1849306.12 1028169.31 1765392.88 1018135.81 1114628.38 667686.56 1444753.38 789861.06 373674.09 1497855.62 1312625.12 845073 132609.61 744414.94 358749.09 716562.94 1650163.62 167150.05 751915.5 1057836.38 2266267 517119.09 326089.41 346896.41 160270.56 323332.84 1132516 1333257.88 1271161.12 1216767.12 1157694.88 126345.38 1042466.5 820967.81 2157264.25 Oleic Acid 9676530 15310689 8762692 12251373 15552867 9389292 12591655 13505043 9852561 8609800 15935567 5161954.5 20118622 9207232 17210452 7221393.5 12691881 4795511.5 10673225 16080025 13816372 5170476.5 8962285 7214093.5 11903237 11874.15 8492021 10090376 3567816 5091014.5 5287131.5 9578556 5979079.5 10351973 16003287 7386620 7417967.5 1268487.38 4533727.5 10745888 6555372.5 5029795 11833083 12299725 4061543.75 3072980 3734088.75 1427906.38 11956453 15470000 8465460 6195856 6948824.5 1579161.88 13067029 9442223 2176759.75 2007177.38 2009427.12 23583280 7173672 16216803 19812364 18273656 17096726 13891184 4313492 6143272 8651855 17571878 17563438 8321604 15159924 2333545.75 13074775 17726790 7331415.5 11808997 5554989.5 10070116 15016680 3585028 3972577.75 5937185.5 4862979 8723407 13305589 5841134.5 12631333 14575895 3025384.25 8082078.5 12673240 25348384 Palmitelaidic Acid 7971190.5 9668276 10993621 10063889 15237460 14471851 11503267 13602279 11912939 6865098 13951743 7293492 20089136 8664253 17193950 8902871 4533767.5 2844388.25 8697813 15778353 15199095 8169451.5 9672088 9797793 12717607 173359.83 12677915 7856102 987731.81 5004089.5 8831340 8508697 2156258 11019736 14981455 8705711 5391734.5 739813.5 8411220 7219218.5 4232632 5724532 12239241 7390972 5976505.5 2980800.75 7085281.5 2012157.88 14222075 15909351 8469799 5254136 8695015 1433738 15904683 10787427 586140.81 542941.81 1146132.38 20172574 9985726 22800726 18044038 24297318 12878720 10166181 5386631.5 4845499.5 11581712 12358671 19301544 2531969.25 9117032 1696047 5462232 20558670 1549347.62 8174113.5 6188449.5 11585021 9690461 1565861.12 1706739.38 1618766 3485691 7668992 11955716 7559918.5 11274069 11508392 669585.19 9548339 8363363.5 35564796 Palmitic Acid 282237.62 373282.97 249260.08 294674.59 289577.47 193237.08 290077.59 246810 316338.09 206088.56 230850.8 187762.14 510922.72 195825.3 360413.84 189461.64 819299.25 253687.11 325398.09 310291.41 330893.59 131313.03 204048.95 187653.39 303023.59 68859.16 203684.2 298440.75 756108.75 221754.75 141509.69 315268.22 573070.62 342823.91 408301.38 228331.38 280177.16 327125.78 121919.52 668463.5 385377.97 187227.58 307958.34 383544.91 152747.3 116960.32 166260.56 63770.71 186691.62 654571.5 226269.33 191512.7 204335.61 160958.2 310373.56 316256.59 193060.7 295122.62 94830.78 582164.19 212105.81 352325.5 1099553.62 434643.75 610491 357595.97 133591.7 225171.5 165867.8 686216.44 580278.19 1858926 440152.91 233045.38 665295.81 542574.62 1881647.62 491315.34 232233.45 215996 518539.91 480031.09 882354.5 1299701 265536.22 347615.91 277918.62 271893.91 294552.88 398347.53 1184633 226388.48 387442.66 1334811.25 Pentadecanoic Acid 54788.36 84910.85 31091.87 27008.98 102009.04 63739.09 23222.38 51234.45 194998.42 83299.09 118728.56 13344.41 293542.5 57160.17 197978.12 55055.06 71082.51 66061.59 145561.7 200667.31 209051.02 26785.32 28916.67 91348.22 195392.05 10985.14 104384.4 85050.38 88841.19 34893.83 41013.48 101648.96 86958.38 75663.41 231488.75 26602.02 104061.56 37905.51 39800.33 133599.17 113589.87 161728.55 99696.21 254692.27 24424.03 13862.53 46536.33 59098.45 85464.89 181845.94 69524.26 116239.85 19243.28 17304.37 184539.67 193992.05 34638.57 23150.66 24867.88 238844.55 102415.38 237176.3 240685.83 154166.55 159339.25 183956.02 64151.46 64572.68 136756.75 272012.53 286080.81 100186.34 106015.16 45201.8 211739.67 296245.25 97773.44 97151.45 25415.99 43336.52 133305.36 56228.58 93003.56 90755.03 62425.98 19938.22 101897.79 86499.65 272953.56 147184.64 148015.31 116268.1 220078.7 613374.31 Prostaglandin A2/B2 0 2665.45 7690.45 0 0 4790.09 5023.42 3811.05 0 3447.23 2773.23 5044.5 3082.27 0 0 0 0 0 3553.09 0 0 0 7101.78 0 2980.67 0 0 3589.48 8237.94 8243.4 2966.96 2467.95 0 2880.99 0 0 5582.05 0 3839.42 3160.56 5363.02 2857.55 0 2157.15 6413.76 28741.84 0 22604.18 0 12492.23 0 0 0 0 0 2891.31 2181.83 3141.55 0 2959.19 5282.58 2583.48 0 2898.27 14705.89 0 0 0 0 3149.09 0 0 4364.22 4937.44 0 2489.63 0 2908.49 0 10882.38 2300.99 0 0 2859.97 0 2783.16 7087.7 0 0 2445.45 0 8724.39 6374.05 0 Prostaglandin D2 9022.3 1460.64 1858.61 4135.25 1077.95 6319.45 2664.89 7698.86 5798.91 2940.65 2993.31 3611.17 0 5148.65 1416.93 4950.27 2487.55 4359.21 2105.21 2838.55 2355.04 2205.81 8722.19 3205.76 1156.58 1046.87 2314.45 938.47 2412.19 7415.85 2333.61 4122.81 1699.96 5968.01 1574.45 3173.59 10606.09 2410.22 4495.16 1402.62 3366.4 2388.41 2494.08 6484.12 8820.8 2484 1317.67 3795.93 2376.06 5735.2 4530.16 13010.56 4166.51 2663.06 1258.67 5848.49 1437.81 4390.89 5468.81 8459.17 1646.22 3608.08 4491.32 1762.26 1858.22 8517.74 4102.39 4985.35 4987.46 5993.03 3343.31 5280.23 2216.88 5492.22 2890.23 3729.15 4111.92 6048.13 17091.3 17876.39 4370.09 3427.39 3976.08 3061.04 4735.63 9298.33 11971.11 4228.5 4127.85 4416.28 2653.99 4037.42 3505.73 2448.93 Prostaglandin E2 13407.43 3654.92 2811.87 10733.12 1473.63 14196.33 3419.53 14201.03 8313.21 2220.19 7342.34 4854.8 3914.38 7943.6 1912.38 7035.14 1725.19 1148.18 6645.71 2735.1 3500.53 4876.16 16625.74 5458.25 2554.93 0 2593.99 2064.64 3948.9 15690.9 3448.62 4289.5 1585.75 10775.52 1315.08 6129.28 20695.09 5211.69 8780.8 2868.64 7054.59 5956.88 4795.89 13690.18 18391.82 7335.67 5113.16 5359.92 2489.78 9999.25 5741.49 29357.96 8787 4271.54 4362.86 10998.18 3427.16 7681.87 7241.21 23164.59 8920.43 6247.74 6460.99 1859.93 1225.35 16039.81 7285.59 7087.68 10321.88 10306.01 3652.44 7052.21 4868.61 10008.1 2113.08 8121.84 3056.71 10290.28 38264.46 34141.34 7751 3255.84 8090.85 4283.26 6094.3 16257.48 32591.46 7284.88 3925.38 7710.48 2240.76 11380.93 2120.62 4591.44 Prostaglandin F2a/11b-Prostaglandin F2a/Prostaglandin E1/(±)5-iPF2a-VI 12569.74 4791.72 8482.63 8988.11 6232.86 11005.91 5373.51 13097.95 7854.22 5490.25 6684.13 8556.68 2726.38 7465.87 1956.69 8909.97 5233.99 5428.51 7476.76 3747.92 4537.6 1492.14 17348.91 6248.92 1757.71 1721.18 4383.19 3092.91 5249.99 11974.71 2792.18 2681.93 3789.11 9158.46 4700.02 7095.41 15734.47 5538.87 3870.35 5791.56 7617.07 4981.86 8910.22 13060.17 13267.42 5582.53 6191.31 4777.05 5344.69 11842 6904.41 32593.79 9829.1 7811.27 4473.99 7264.45 7220.1 13928.8 9419.89 20015.73 8322.9 7766.32 12553.32 4369.3 2599.88 16921.85 10091.24 9204.23 10537.62 9672.57 4820.85 10445.83 3569.87 14656.81 3810.19 8634.69 8355.89 12502.09 25803.65 30529.05 8393.93 7443.09 13100.23 7118.1 8400.14 13881.45 21224.74 7015.69 4456.77 7205.73 7703.26 8777.37 4509.32 4277.74 Stearic Acid 708464.06 777672.19 532675.19 652713.06 618268.75 192760.23 583967.12 619930.56 656564.44 385407 427932.34 509938.91 906658.19 563626.56 629284.75 443878.84 253096.5 238208.94 555475.31 419733.34 478682.34 554904.19 307038.75 569815.56 536158 102867.41 417229.25 521201.25 474616.84 572512.44 360849.84 619354.69 208559 550144.19 805571.69 632404.69 680351.56 126609.98 534219.19 558464.44 386967.34 475361.28 469580.59 666769.81 473956.84 512231.41 413840.78 401585.84 517810.5 438464.84 694725.25 643338.56 774613.31 330495.66 655369.5 699794.31 143849.33 234258.33 227132.67 811444 554152.44 487479.75 781242.44 543528.25 576780.56 744152.81 371171.75 491941 350707.22 513366.09 410642.16 381285 520115.09 287287.31 396287.5 830586.69 335539.34 682154.94 521084.34 854117.75 650293.44 280587.12 307392.69 370154.5 497583.16 604214.69 707221.94 492491.91 719801.31 797709.31 202528.83 526496.94 529644.81 1140081.38 Taurochenodeoxycholic acid 850828.69 764950.94 231887.25 1292975 410487.38 3316908.75 5240334.5 2215731.25 215311.55 3354456 2475982.75 482408.66 1166226.62 342226.34 952709.06 486312.16 4490937.5 2001069.38 1880293.38 785367.75 150903.14 3132056 165908.58 851919.19 924029.31 0 1823331.62 311493.09 344649.94 768991.19 2352981.5 257313.8 8626511 446956.84 915490.81 2558675.25 1262883.88 150209.7 1061331.88 4344066.5 325173.16 1032793.44 113931.07 4352464.5 135238.95 643266.81 345506.41 533700 5080429.5 216538.61 1581522 472046.34 1905546.88 519281.34 117751.62 162749.11 13252575 12702443 2196662 392390.88 2114350 206262 153855.05 4735730.5 1328579.75 280778.06 752912.94 685537.69 189230.45 764501.69 153282.14 312004.41 6105352 1129451.5 4030780 425372 2232820 551631.94 165438.55 377543.88 550937.94 1032028.69 1856612.62 2587534.75 717182.94 244583.48 174501.77 782256.94 987104.44 325175.16 829258 425458.66 1534378.5 387733.38 Taurocholic acid 173976.56 106188.93 79437.84 286745.53 46169.84 411379.12 915436.19 553743.69 134152.77 462733.22 524416.38 125831.22 394403.75 87214.23 161778.33 64675.16 1185872.12 210343.2 387170.16 208898.8 80312.48 299009.34 34867.48 126389.35 218941.31 1107.42 362134.41 273541.06 41036.47 138053.42 196725.8 31525.09 2520763.25 186949.23 231431.92 401277.59 306405.66 24092.62 146070.77 875419 76811.95 205251.55 125131.88 693464.06 13918.04 374642.59 75440.35 234165.12 1312174.38 42118.03 229881.12 58409.08 621181.69 246069.7 33893.82 31206.36 2976872 2794910 572502 63545.91 498319.41 71236.74 87002.71 2036855.88 139440.58 64290.12 110697.03 114081.06 78990.05 229066.33 20148.04 77439.66 956535.56 372492.09 585758 77809.28 632604.06 54029.16 27113.04 127208.8 73096.98 309056.22 365134.22 703231 117477.94 38837.8 24047.19 164080.17 191052.69 70828.73 407681.38 130183.78 538113.31 444721.09 Taurodeoxycholic acid 423975.25 328304.03 108380.25 258243.69 133963.48 1441971.88 2579242 1998694.88 226575.92 1324436.12 3919929.25 296876.97 551569.31 320630.66 576365.94 575680.19 1704903.62 928495.75 1852406.38 1192999.62 189047.08 3098383.75 382868.75 1195527.62 543190.44 0 1815451.88 433274.53 579810.25 423051.5 1350022.62 100551.7 615015.38 411291.25 249298.88 3166281.25 814013.69 33752.6 1049709.12 5406308 219909.7 294671.59 89935.09 4149968 103821.3 711636 83077.31 643532.69 2962156 70383.91 1724715 854555.81 861279 300413.78 125293.95 171124 4016847.25 3640847.25 2244282.75 312545.53 385626.88 253284.25 177421.81 4949528.5 314503.78 348933.25 1516128.12 249717.23 313601.09 970583.75 222113.88 512969.47 3532368.75 515288.84 2199593.5 240862.95 1182236.12 271515.53 251104.58 524316.06 308742.91 621620.06 1189007.62 1131699.38 444262.84 285298.78 202605.17 383530.62 489155.66 234174.2 1003937.5 619963.75 263214.28 448700.41 Taurolithocholic acid 43344.88 40728.79 4707.02 29901.66 5239.26 45914.34 365522.62 78223.95 15689.14 104265.73 183855.05 0 38185.24 1198.33 36082.53 23580.9 175255.12 166706.67 161315.11 32171.78 10120.91 260683.5 42156.77 101910.98 17628.91 0 43897.91 8386.48 55681.57 57830.89 65201.31 6624.41 203212.69 41136.4 14311.57 125158.5 28690 0 32241.38 256788.94 5352.42 19697.31 12727.13 106277.3 12419.45 22305.45 10619.88 45320.08 140794.83 0 70574.06 30497.65 65473.82 12878.52 28024.12 4571.1 303303.97 267723.66 196734.89 16327.25 14232.53 13439.01 3635.31 130355.32 65926.33 18336.09 209532.19 53441.14 26028 76700.31 26595.97 54809.47 114346.91 0 40098.99 28780.88 22715.3 27706.24 0 61453.05 16900.44 8118.85 21183.01 23482.65 21332.33 0 1546.03 30593.68 25468.49 17723.86 115872.71 36331.06 39136.07 5248.37 Tauroursodeoxycholic acid 42611.83 101185.84 12723.13 200898.45 63939.74 143870.11 132675.02 72267.07 4522.32 88067.04 51565.01 26509.01 28981.26 16633.69 66421.8 36234 271132.5 177698.11 43090.93 78217.84 4382.8 58351.31 6667.44 17869.08 127304.23 0 81176.16 11164.25 34588.41 43454.16 17984.59 6536.44 200382.98 51166.26 39919.33 60181.61 63740.99 7347.78 26017.15 376808.34 17060.58 31388.73 0 391518.59 14197.75 36102.94 14295.82 19491.91 124473.43 7742.76 96810.22 21707.62 33478.53 53504.5 1719.49 24387.22 260579.61 338481.72 80298.91 44392.62 40809.84 6129.04 5957.95 131443.88 21719.2 11450.22 27391.01 18238.5 6630.72 34754.25 22501.61 8014.82 111169.76 118942.41 143855.22 20260.72 186331 24688.12 50168.52 54506.41 90009.87 113725.93 358414.09 184275.67 95668.56 75246.02 78034.1 21908.82 43405.59 5882.61 34670.48 9386.43 101568.71 19332.54 Ursodeoxycholic acid 288884.28 250359.5 213828.2 613757.06 405723.09 67348.1 199294.14 98978.96 223904.88 206692.17 145511.88 296068.84 183347.33 95282.23 302227.78 287046.75 211794.05 873269.69 116726.12 238043.61 346624.25 1386338.88 680097.25 900048.81 355558.41 2191.33 606890.06 436079.62 494400.41 372505.25 349384.72 255202.83 89765.65 259247.3 114970.32 1037601.81 285859.03 206087.23 593522.5 923312.81 398164.25 266935.16 213574.05 724686.19 616910.75 209743.62 292661.03 98155.49 139739.09 105348.65 421378.88 1233288.62 134415.33 516498.22 218082.14 434481.09 254451.12 511890.22 912820 325265 96888.12 186613.62 360048.16 154151.98 178556.38 1175886.62 2032743.62 326915.09 296862.97 1591396.62 582450.31 309182.84 93159.02 1155752.88 187723.52 234987.55 1379200.62 537406 1098372.38 421352.16 2369875.75 316280.22 2650850.75 1505284.5 944375.94 1258985.38 1493160.88 234595.33 549825.62 62395.7 487431.09 113529 159637.89 277417.03 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name formula Pathway m/z RT Polarity 12(13)-DiHOME C18H34O4 Oxylipin 313.238 3.938 [M-H]- 12(S)-HETE C20H32O3 Oxylipin 319.228 4.490 [M-H]- 13(S)-HODE C18H32O3 Oxylipin 295.228 4.323 [M-H]- 13-14-dihydro-15-keto Prostaglandin D2 C20H32O5 Oxylipin 351.218 3.337 [M-H]- 13-OxoODE C18H30O3 Oxylipin 293.212 4.313 [M-H]- 15(S)-HEPE C20H30O3 Oxylipin 317.212 4.185 [M-H]- 15(S)-HETE C20H32O3 Oxylipin 319.227 4.370 [M-H]- 17(S)-HDHA C22H32O3 Oxylipin 343.228 4.428 [M-H]- 5(S)-HETE C20H32O3 Oxylipin 319.228 4.692 [M-H]- 9(10)-DiHOME C18H34O4 Oxylipin 313.238 4.027 [M-H]- 9(S)-HODE C18H32O3 Oxylipin 295.227 4.375 [M-H]- 9-OxoODE C18H30O3 Oxylipin 293.213 4.371 [M-H]- a-Linolenic Acid C18H30O2 Oxylipin 277.218 5.376 [M-H]- Arachidic Acid C20H40O2 Oxylipin 311.296 5.914 [M-H]- Arachidonic Acid C20H32O2 Oxylipin 303.233 5.615 [M-H]- Chenodeoxycholic acid C24H40O4 Oxylipin 391.285 4.057 [M-H]- Cholic acid C24H40O5 Oxylipin 407.281 3.697 [M-H]- Decanoic Acid C10H20O2 Oxylipin 171.138 3.006 [M-H]- Deoxycholic acid C24H40O4 Oxylipin 391.285 4.131 [M-H]- Dihomo-y-Linolenic Acid C20H34O2 Oxylipin 305.248 5.746 [M-H]- Docosahexaenoic Acid C22H32O2 Oxylipin 327.233 5.521 [M-H]- Docosapentaenoic Acid C22H34O2 Oxylipin 329.249 5.683 [M-H]- Eicosapentaenoic Acid C20H30O2 Oxylipin 301.218 5.267 [M-H]- Glycochenodeoxycholic acid C26H43NO5 Oxylipin 448.307 3.706 [M-H]- Glycocholic acid C26H43NO6 Oxylipin 464.302 3.152 [M-H]- Glycodeoxycholic acid C26H43NO5 Oxylipin 448.307 3.821 [M-H]- Glycolithocholic acid C26H43NO4 Oxylipin 432.311 4.085 [M-H]- Glycoursodeoxycholic acid C26H43NO5 Oxylipin 448.308 3.001 [M-H]- Heptadecanoic Acid C17H34O2 Oxylipin 269.249 5.837 [M-H]- Lauric Acid C12H24O2 Oxylipin 199.170 4.869 [M-H]- Leukotriene B4 C20H32O4 Oxylipin 335.223 3.894 [M-H]- Linoleic Acid C18H32O2 Oxylipin 279.233 5.665 [M-H]- Myristic Acid C14H28O2 Oxylipin 227.202 5.470 [M-H]- Oleic Acid C18H34O2 Oxylipin 281.249 5.809 [M-H]- Palmitelaidic Acid C16H30O2 Oxylipin 253.217 5.601 [M-H]- Palmitic Acid C16H32O2 Oxylipin 255.233 5.802 [M-H]- Pentadecanoic Acid C15H30O2 Oxylipin 241.217 5.628 [M-H]- Prostaglandin A2/B2 C20H30O4 Oxylipin 333.207 3.540 [M-H]- Prostaglandin D2 C20H32O5 Oxylipin 351.218 3.076 [M-H]- Prostaglandin E2 C20H32O5 Oxylipin 351.218 3.020 [M-H]- Prostaglandin F2a/11b-Prostaglandin F2a/Prostaglandin E1/(±)5-iPF2a-VI C20H34O5 Oxylipin 353.234 3.055 [M-H]- Stearic Acid C18H36O2 Oxylipin 283.265 5.874 [M-H]- Taurochenodeoxycholic acid C26H45NO6S Oxylipin 498.289 3.325 [M-H]- Taurocholic acid C26H45NO7S Oxylipin 514.284 2.826 [M-H]- Taurodeoxycholic acid C26H45NO6S Oxylipin 498.289 3.526 [M-H]- Taurolithocholic acid C26H45NO5S Oxylipin 482.295 3.882 [M-H]- Tauroursodeoxycholic acid C26H45NO6S Oxylipin 498.289 2.704 [M-H]- Ursodeoxycholic acid C24H40O4 Oxylipin 391.285 3.633 [M-H]- METABOLITES_END #END