#METABOLOMICS WORKBENCH RobertHume_20251022_150443 DATATRACK_ID:6589 STUDY_ID:ST004323 ANALYSIS_ID:AN007205 PROJECT_ID:PR002737 VERSION 1 CREATED_ON October 29, 2025, 10:57 pm #PROJECT PR:PROJECT_TITLE Human Hearts intrinsically increase cardiomyocyte mitosis following myocardial PR:PROJECT_TITLE infarction PR:PROJECT_TYPE Metabolomics PR:PROJECT_SUMMARY Background: Myocardial infarction (MI) is a leading cause of death worldwide and PR:PROJECT_SUMMARY can eliminate up to a third of the cardiomyocytes (CMs) within the human heart. PR:PROJECT_SUMMARY Although CMs undergo mitosis during early development, most CMs cease cell PR:PROJECT_SUMMARY cycling soon after birth. In contrast, rodent MI models have shown that CMs PR:PROJECT_SUMMARY increase mitosis in response to ischemia, however this has not been shown in PR:PROJECT_SUMMARY humans. Methods: Using a unique pre-mortem post-MI human heart, immunostaining, PR:PROJECT_SUMMARY bulk RNA sequencing, proteomics, metabolomics, single nucleus RNA sequencing and PR:PROJECT_SUMMARY a novel post-MI human biopsy method, we investigated human CM mitosis post-MI. PR:PROJECT_SUMMARY Results: We show that adult human CMs exhibit increased mitosis and cytokinesis PR:PROJECT_SUMMARY in response to ischemia. Conclusions: Future development of therapeutics to PR:PROJECT_SUMMARY enhance this intrinsic mitotic potential could lead to new treatments that PR:PROJECT_SUMMARY reverse heart failure via cardiac regeneration. PR:INSTITUTE University of Sydney PR:DEPARTMENT Charles Perkins Centre PR:LABORATORY Centre for Heart Failure and Diseases of the Aorta PR:LAST_NAME Robert PR:FIRST_NAME Hume PR:ADDRESS John Hopkins Dr, Camperdown, NSW 2050, Australia PR:EMAIL robert.hume@sydney.edu.au PR:PHONE 0434848772 PR:PUBLICATIONS Circulation Research (in print) #STUDY ST:STUDY_TITLE Human Hearts intrinsically increase cardiomyocyte mitosis following myocardial ST:STUDY_TITLE infarction ST:STUDY_SUMMARY Background: Myocardial infarction (MI) is a leading cause of death worldwide and ST:STUDY_SUMMARY can eliminate up to a third of the cardiomyocytes (CMs) within the human heart. ST:STUDY_SUMMARY Although CMs undergo mitosis during early development, most CMs cease cell ST:STUDY_SUMMARY cycling soon after birth. In contrast, rodent MI models have shown that CMs ST:STUDY_SUMMARY increase mitosis in response to ischemia, however this has not been shown in ST:STUDY_SUMMARY humans. Methods: Using a unique pre-mortem post-MI human heart, immunostaining, ST:STUDY_SUMMARY bulk RNA sequencing, proteomics, metabolomics, single nucleus RNA sequencing and ST:STUDY_SUMMARY a novel post-MI human biopsy method, we investigated human CM mitosis post-MI. ST:STUDY_SUMMARY Results: We show that adult human CMs exhibit increased mitosis and cytokinesis ST:STUDY_SUMMARY in response to ischemia. Conclusions: Future development of therapeutics to ST:STUDY_SUMMARY enhance this intrinsic mitotic potential could lead to new treatments that ST:STUDY_SUMMARY reverse heart failure via cardiac regeneration. This uploaded dataset relates to ST:STUDY_SUMMARY the metabolomics (HILIC and AMIDE) performed on the unique infarcted human heart ST:STUDY_SUMMARY (5 days post-myocardial infarction) as compared to healthy donor hearts. Infarct ST:STUDY_SUMMARY samples consisted of non-ischemic right atrium (MI RA, technical replicates), ST:STUDY_SUMMARY partially ischemic right ventricle (MI RV, technical replicates), ischemic left ST:STUDY_SUMMARY ventricle (MI LV, technical replicates) and non-ischemic left ventricle donor ST:STUDY_SUMMARY tissue (Donor LV, biological replicates). ST:INSTITUTE University of Sydney ST:DEPARTMENT Charles Perkins Centre ST:LAST_NAME Hume ST:FIRST_NAME Robert ST:ADDRESS John Hopkins Dr ST:EMAIL robert.hume@sydney.edu.au ST:PHONE 0434848772 ST:DISEASE_ASSOCIATION Donor left ventricle or infarct (MI) left ventricle, right ventricle or right ST:DISEASE_ASSOCIATION atrium #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male #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 6.004 HILIC_6.004ROB_LV10 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_LV10.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_LV14 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=2; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_LV14.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_LV18 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=3; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_LV18.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_LV26 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=4; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_LV26.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_LV28 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=5; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_LV28.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_RA1_02 Sample source:Infarcted human heart right atrium | Tissue Type:RA | Group:Infarct (non-ischemic) Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_RA1_02.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_RA2 Sample source:Infarcted human heart right atrium | Tissue Type:RA | Group:Infarct (non-ischemic) Technical Replicates=2; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_RA2.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_RV1 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_RV1.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_RV2 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=2; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_RV2.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_RV3 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=3; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_RV3.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_RV4 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=4; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_RV4.wiff SUBJECT_SAMPLE_FACTORS 6.004 HILIC_6.004ROB_RV5 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=5; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_6.004ROB_RV5.wiff SUBJECT_SAMPLE_FACTORS 3.145 HILIC_CASS3.145LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=HILIC_CASS3.145LV.wiff SUBJECT_SAMPLE_FACTORS 6.048 HILIC_CASS6.048LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=2; RAW_FILE_NAME(File Name)=HILIC_CASS6.048LV.wiff SUBJECT_SAMPLE_FACTORS 6.056 HILIC_CASS6.056LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=3; RAW_FILE_NAME(File Name)=HILIC_CASS6.056LV.wiff SUBJECT_SAMPLE_FACTORS 7.004 HILIC_CASS7.004LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=4; RAW_FILE_NAME(File Name)=HILIC_CASS7.004LV.wiff SUBJECT_SAMPLE_FACTORS 7.08 HILIC_CASS7.080LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=5; RAW_FILE_NAME(File Name)=HILIC_CASS7.080LV.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_LV10 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_LV10.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_LV14 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=2; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_LV14.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_LV18 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=3; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_LV18.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_LV26 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=4; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_LV26.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_LV28 Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Technical Replicates=5; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_LV28.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_RA1_02 Sample source:Infarcted human heart right atrium | Tissue Type:RA | Group:Infarct (non-ischemic) Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_RA1_02.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_RA2 Sample source:Infarcted human heart right atrium | Tissue Type:RA | Group:Infarct (non-ischemic) Technical Replicates=2; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_RA2.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_RV1 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_RV1.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_RV2 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=2; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_RV2.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_RV3 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=3; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_RV3.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_RV4 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=4; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_RV4.wiff SUBJECT_SAMPLE_FACTORS 6.004 AMIDE_6.004ROB_RV5 Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Technical Replicates=5; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_6.004ROB_RV5.wiff SUBJECT_SAMPLE_FACTORS 3.145 AMIDE_CASS3.145LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=1; RAW_FILE_NAME(File Name)=AMIDE_CASS3.145LV.wiff SUBJECT_SAMPLE_FACTORS 6.048 AMIDE_CASS6.048LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=2; RAW_FILE_NAME(File Name)=AMIDE_CASS6.048LV.wiff SUBJECT_SAMPLE_FACTORS 6.056 AMIDE_CASS6.056LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=3; RAW_FILE_NAME(File Name)=AMIDE_CASS6.056LV.wiff SUBJECT_SAMPLE_FACTORS 7.004 AMIDE_CASS7.004LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=4; RAW_FILE_NAME(File Name)=AMIDE_CASS7.004LV.wiff SUBJECT_SAMPLE_FACTORS 7.08 AMIDE_CASS7.080LV Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Technical Replicates=1; Biological replicates=5; RAW_FILE_NAME(File Name)=AMIDE_CASS7.080LV.wiff #COLLECTION CO:COLLECTION_SUMMARY Human Heart tissue Donor hearts (Sydney Heart Bank) deemed suitable for heart CO:COLLECTION_SUMMARY transplantation but unable to be transplanted (for reasons including CO:COLLECTION_SUMMARY transportation logistics, immune incompatibility, and donor-recipient mismatch CO:COLLECTION_SUMMARY in size) were procured as previously described40. These are not post-mortem CO:COLLECTION_SUMMARY samples. These non-diseased donor heart samples were from patients with a CO:COLLECTION_SUMMARY non-cardiac cause of death and no significant co-morbidities or cardiac risk CO:COLLECTION_SUMMARY factors (hence why the hearts would otherwise have been used for transplant). CO:COLLECTION_SUMMARY All hearts (non-diseased donor or ischemic) underwent formal pathological CO:COLLECTION_SUMMARY examination by clinical anatomical pathology to confirm either normal CO:COLLECTION_SUMMARY histological architecture or ischemic heart disease respectively. LV samples CO:COLLECTION_SUMMARY were obtained immediately after harvest and snap frozen in liquid nitrogen (-196 CO:COLLECTION_SUMMARY °C). The study was approved by the Human Ethics Committee of The University of CO:COLLECTION_SUMMARY Sydney (USYD # 2021/122). Procurement of a unique infarcted human heart The CO:COLLECTION_SUMMARY unique infarcted human heart was acquired from a 48yo male patient, originally CO:COLLECTION_SUMMARY on the national donor list, who suffered a catastrophic acute myocardial CO:COLLECTION_SUMMARY infarction (MI) due to a blockage of the left anterior descending artery. This CO:COLLECTION_SUMMARY patient suffered a cardiac arrest and at the Royal Prince Alfred Hospital, CO:COLLECTION_SUMMARY Sydney, whereby a coronary angioplasty and stent insertion could not be CO:COLLECTION_SUMMARY achieved. The patient was then kept on life support for 5d post-MI, at which CO:COLLECTION_SUMMARY point no neurological activity was detected and the patient was declared CO:COLLECTION_SUMMARY braindead. As the heart could not be used for transplant purposes, the next of CO:COLLECTION_SUMMARY kin kindly agreed to organ donation for research. The heart was then collected CO:COLLECTION_SUMMARY pre-mortem and cryopreserved within 15mins i.e. fragments from the right atrium CO:COLLECTION_SUMMARY (MI RA), right ventricle (MI RV) and left ventricle (MI LV) were flash frozen CO:COLLECTION_SUMMARY and stored in liquid nitrogen, or fixed in 10% neutral buffered formalin (NBF, CO:COLLECTION_SUMMARY Sigma HTS012) overnight, before use. CO:SAMPLE_TYPE Heart CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were fragmented with metal bead and an extraction buffer of equal SP:SAMPLEPREP_SUMMARY methanol chloroform. Once tissue is fully lysed, chloroform and HPLC water is SP:SAMPLEPREP_SUMMARY added before centrifugation. Two layers are aliquoted and separated which was SP:SAMPLEPREP_SUMMARY ran in the mass spectrometer. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Sciex 6500+ CH:COLUMN_NAME Waters Atlantis HILIC Silica 3.5um 2.1x150mm CH:SOLVENT_A 100% water containing 10 mM ammonium formate, 0.1% formic acid CH:SOLVENT_B 0.1% formic acid in acetonitrile CH:FLOW_GRADIENT Gradient at 95%B maintained at 4min before decreasing to 40% at 9.5min. CH:FLOW_GRADIENT Remaining 3min at 40% and then increased to 95% for equilibration for 10min. CH:FLOW_RATE 0.2ml/min CH:COLUMN_TEMPERATURE 40 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 6500+ QTrap MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The extracted samples were analysed on Sciex 6500 (LC-MS/MS systems) with MS:MS_COMMENTS parameter settings as following: curtain gas 70 psi; ion source gas 1 at 30 psi; MS:MS_COMMENTS gas 2 at 70 psi; source temperature at 350 ˚C; ion spray voltage was set at MS:MS_COMMENTS 4500 V at negative mode and 3500 v at positive mode. All MRM transitions, MS:MS_COMMENTS collision energy, and declustering potentials were optimised using authentic MS:MS_COMMENTS chemical standards. Scheduled MRMs were based on retention time of each MS:MS_COMMENTS metabolite and on average of 10-30 ms dwell time were used to ensure sufficient MS:MS_COMMENTS data points across each peak.    #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AUC MS_METABOLITE_DATA_START Samples HILIC_6.004ROB_LV10 HILIC_6.004ROB_LV14 HILIC_6.004ROB_LV18 HILIC_6.004ROB_LV26 HILIC_6.004ROB_LV28 HILIC_6.004ROB_RA1_02 HILIC_6.004ROB_RA2 HILIC_6.004ROB_RV1 HILIC_6.004ROB_RV2 HILIC_6.004ROB_RV3 HILIC_6.004ROB_RV4 HILIC_6.004ROB_RV5 HILIC_CASS3.145LV HILIC_CASS6.048LV HILIC_CASS6.056LV HILIC_CASS7.004LV HILIC_CASS7.080LV Factors Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Sample source:Infarcted human heart left ventricle | Tissue Type:LV | Group:Infarct Sample source:Infarcted human heart right atrium | Tissue Type:RA | Group:Infarct (non-ischemic) Sample source:Infarcted human heart right atrium | Tissue Type:RA | Group:Infarct (non-ischemic) Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Sample source:Infarcted human heart right ventricle | Tissue Type:RV | Group:Infarct (semi-ischemic) Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Sample source:Donor human heart left ventricle | Tissue Type:LV | Group:Donor Pyruvate.1 9202.989882 2556.88838 3075.580994 3468.520458 12851.29929 3681.798428 N/A 6143.556562 4545.663888 2713.937069 3449.601751 3197.706967 26647.22719 29474.01872 16613.35267 27219.15817 2185.83289 Pyruvate.2 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A 1234.501994 N/A N/A N/A 19398.20668 Pyruvate.3 N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A N/A Pyruvate.4 N/A N/A N/A 1577.656298 6273.444128 2109.774308 N/A 3679.241764 N/A 1916.29866 N/A 1549.968911 N/A N/A N/A N/A 4769.381277 AcetylcoA N/A N/A 2854.828955 2331.774363 3412.860193 N/A N/A N/A 2493.539877 N/A N/A 2115.410193 3284.677487 6405.082358 6438.353043 4055.574796 6701.497896 HMGcoA 10284.82356 5030.034892 26458.38319 26367.2898 2233.545278 19632.34012 2761.332188 32748.09006 18746.62482 38856.36346 49629.38696 15917.17022 2947.850741 7648.618955 5202.386028 2242.623521 1507.639334 Mevaloate 5406525.209 5337274.706 4946010.766 4113793.914 5126872.197 1523874.581 1810414.884 1455013.323 3702192.525 3905898.674 3546247.771 3724896.281 2124409.405 1661446.42 3001329.667 304868.1936 3284198.392 3HB 3726206.391 3803399.663 2951332.566 3546712.228 4261056.404 1998543.559 2194434.173 1874855.296 1930664.999 2010125.514 1623181.534 1907922.444 1503445.204 3364130.09 3928701.925 5604253.051 8448958.283 AcAccoA 2579.671395 2943.22514 2508.018832 2792.476933 3113.470372 2228.485776 2360.630444 1608.749467 2546.629535 2566.356523 1993.343304 2177.037556 3182.563531 2807.061665 2700.655031 2911.432909 2279.580936 Acetoacetate 1091927.429 212775.1232 2859988.845 1540908.511 1068312.799 74113.43878 97790.68765 64113.71446 228852.0384 301431.4126 91915.74954 230986.0023 52392.22258 127654.5047 419236.0099 779242.6849 115562.0155 AccoA.M0-0(PO3) 4053.521233 2496.365246 8282.833108 9627.477042 1409.630588 9749.044125 3851.66841 12175.23391 8850.908592 15754.19436 23931.41748 7493.036442 3488.650814 10012.93808 14763.49512 3367.826506 1661.807846 AcAccoA.M0-0(PO3) 31316.50767 37370.90816 31961.7377 31639.20615 35150.53573 23279.84005 27251.1103 21195.82248 33385.19713 30795.39684 28561.08784 32453.48645 30651.70672 32894.18567 37842.76533 27064.83136 42265.30985 Phe-d8(NEG) 2183063.018 2051747.938 2171788.866 2205192.403 2127305.441 2228727.021 2345797.06 2429534.186 2156542.011 2290036.221 2347095.204 2465864.122 2497842.113 2480313.461 2855257.486 2257855.222 2509651.082 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB KEGG Pyruvate.1 NA C00022 Pyruvate.2 NA C00022 Pyruvate.3 NA C00022 Pyruvate.4 NA C00022 AcetylcoA #N/A #N/A HMGcoA #N/A #N/A Mevaloate #N/A #N/A 3HB HMDB0000442 NA AcAccoA #N/A #N/A Acetoacetate HMDB0000060 C00164 AccoA.M0-0(PO3) #N/A #N/A AcAccoA.M0-0(PO3) #N/A #N/A Phe-d8(NEG) NA C00008 METABOLITES_END #END