#METABOLOMICS WORKBENCH RobertHume_20251022_150443 DATATRACK_ID:6589 STUDY_ID:ST004323 ANALYSIS_ID:AN007204 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 POSITIVE 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 1-methylhistamine 7217978.013 6141377.276 6116893.475 6163406.274 7578341.677 6877613.026 6703232.5 7253073.308 5411728.729 6831999.836 7648987.712 6794202.906 8407082.821 7430161.316 7654199.602 7770099.001 7318819.606 2-Arachidonyl glycerol 2141.1332 2243.568605 2210.189777 3081.880361 2649.799301 2137.149949 992.9975536 3553.010672 2247.98542 1794.867192 2898.62565 2339.503245 2523.764344 1904.205975 3337.701354 N/A 3119.214061 2'-deoxyadenosine 797.9753374 1003.025446 1327.725961 N/A N/A N/A N/A N/A N/A 1515.592964 N/A 2055.261655 1418.757412 1816.656233 2407.295794 658.8092557 N/A 2'-deoxycytidine 5471.569238 18256.75749 5572.797874 5448.039421 8757.289078 5866.688944 7837.280369 3588.22151 N/A N/A 4179.891795 1136.226489 14102.93768 10228.41808 12124.18063 16145.76049 6294.152997 2-Methylbutyrylcarnitine.1 256763.4093 316466.3487 920988.4865 362035.8119 454762.1896 214864.2023 218454.7704 127397.7984 1118347.733 1204233.948 1215050.122 1398090.35 1241374.901 1797310.398 949278.8631 510327.7526 1136579.682 2-Methylbutyrylcarnitine.2 462784.6972 246542.0137 609271.9111 390313.6079 405467.5038 176858.657 224663.9931 152547.8336 800928.0785 1028574.442 936636.2296 844821.8064 895580.9021 1232046.373 711478.3693 469257.2994 783964.1728 2-Methylbutyrylcarnitine.3 498533.6364 174691.0681 423464.2668 356020.4633 340490.9756 119667.9464 193521.2326 149473.7978 606837.9345 804649.6804 624200.5526 689329.8727 713996.3069 989745.5954 516899.9636 341913.8283 656123.9535 3-deaazadenosine N/A 4375.638246 N/A N/A 3345.478237 5152.764669 2817.402312 N/A 3560.223058 N/A N/A 2660.836742 3453.270649 8842.916554 9988.713178 7974.613302 5119.799342 3HK 14538.29978 11577.85042 N/A 20595.77784 N/A 18991.60038 16475.87073 21327.14122 18291.40004 18685.23453 30805.33387 16468.1304 13712.55633 46031.54864 7981.900782 28576.57151 7849.90483 3-IPA 8251.874789 5944.69493 7681.722422 5703.071525 6783.656945 3411.794404 6760.355575 4250.053654 7689.845504 5005.234718 4907.511325 5241.187232 4713.603829 3940.173936 4088.835737 3853.863139 21173.41932 5-Aminolevulinic Acid 362059.8238 463723.784 503964.6659 323764.9277 656683.0867 272416.137 281579.7326 286967.6158 643617.6269 545382.1835 831378.4513 579503.25 522674.3476 595871.5783 364061.466 348836.6734 372829.4585 5-HIAA 50381.68423 54891.98908 61427.20017 68701.29596 81492.64969 76366.55017 44435.84563 36486.49364 86540.7515 89520.92375 115910.1199 60595.74001 41162.02061 34114.12396 97126.1687 34930.00177 90332.13133 AAD 17822.35288 9984.765592 19208.53758 12188.50918 13530.7143 4063.300461 6349.631732 6112.845098 12882.18279 11927.76292 12423.56785 10443.59604 11581.70841 11786.84698 17321.76049 6705.250919 11397.51923 Acetoacetic Acid 225137.0136 119457.1535 255633.0614 204686.6235 197660.6712 165784.9119 216771.9867 259329.81 218986.43 255865.783 429134.2888 285724.3565 272192.428 213983.9491 217846.2014 160681.7278 157722.7948 Acetylcarnitine 188594150.6 136539624.2 255096246.1 147314507 296564312.5 251133931.6 214925245.6 204122795.2 232884760.3 323818348.1 264819599.3 247485441.6 359749322.9 345852845.8 220665997.2 235989882.1 325722146.6 Acetylcholine 2301454.929 1782624.132 1835223.656 1966703.685 1675122.101 1309580.524 1766865.996 1761530.353 2345177.231 3087347.447 2624002.375 2654243.341 1519236.114 1591641.652 1651337.096 1167423.837 1058852.379 Adenosine 242689109.6 237144856.6 285698261.6 277986094.3 249979096.1 67943069.76 58403245.58 83549149.31 243394889.9 209689269 274286889.4 130548464.6 196413448.3 244528945.1 156889273 37840681.42 415570197.8 ADMA 5769492.554 7105019.077 4549707.648 5745161.5 5944860.108 2458507.361 3310055.641 2785008.14 4260502.746 4087649.638 4394773.946 4386233.555 5257595.106 3208112.477 7095480.126 1830070.278 16054058.48 Alanine 19455905.18 15398718.85 20482327.41 14119937.09 20086654.06 8159712.059 9865547.202 10997625.96 14121933.03 20061517.58 18129296.33 18526230.67 12744656.06 18936673.4 16421834.59 8696230.354 24195620.91 Anandamide 6629.276839 3812.422288 2138.448886 4372.146168 11427.88759 6191.327847 2151.371391 6185.514691 5777.30868 4013.816286 6668.219094 2044.548349 1861.485494 1633.354359 930.2908811 1787.102934 1412.424018 Anserine 760890.1694 751736.2844 662469.6246 601770.3613 724656.3306 285094.3405 419061.8565 353437.5687 515254.9006 509310.7751 520238.3852 388428.1594 42592.43935 365186.9681 641068.4663 115097.8562 113517.1601 Arachidonic acid 5187.517159 4520.96281 3556.775376 5535.700848 2346.686044 9220.860488 5485.872162 6487.373739 5933.78771 5041.592666 7696.011811 4087.657837 2293.834748 2965.19023 5418.476907 7045.736146 5392.299805 Arginine 26268364.98 24507612.85 21778373.6 23974838.16 25214156.4 10732405.36 16022703.93 14855571.49 17460555.28 15925985.52 16371367.67 12389692.88 12261549.68 26278945.87 25831117.54 10424740.22 25393516.8 Asparagine 630174.2879 932271.584 983226.5136 1044734.427 1174836.99 420246.038 330316.7441 369155.3785 1148161.996 1122446.284 837419.2167 1037191.553 1740539.56 1805543.358 2081091.204 717889.0515 4945788.085 Aspartate 7362939.424 8092260.075 10327859.53 7751675.106 9609069.959 5442398.884 5322244.334 4371073.014 6905172.657 6772581.464 5588428.972 7826827.027 16270348.35 4807591.059 5107470.054 1822449.714 5181394.356 BAIBA 555189.714 571667.2552 623299.736 572802.2019 580324.6084 387532.6868 244778.3562 418884.8317 300244.8817 424372.0288 282797.2424 399223.0651 328334.3195 658515.3345 412368.2384 335911.5067 207674.1131 beta-Alanine 295412.5443 329179.5683 242810.3934 328078.8365 336909.1782 464595.2315 500311.6008 419784.9315 135508.2051 147367.8719 177357.2585 314266.0915 348422.5519 304184.2683 296792.3212 400879.8693 295526.5028 Betaine 15801235.79 37108507.17 40525325.53 27257026.79 25974021.38 79956196.34 84718025.64 57325406.46 57802806.59 57859660.92 81317433.63 78149495.95 54804999.82 32244229.31 110358427.7 56359941.42 76403035.45 C4-butyrl-carnitine 152481906.8 70188289.1 89878714.43 123224711 148068380.5 54630765.54 31920838.95 41496592.95 127442844.1 162815500.2 145786802.9 119350095.7 141425743.1 117396955.2 145451931.2 109803575.3 102977947.5 cAMP 59469.7388 55301.04628 70906.35036 53558.2593 54103.27589 27875.85284 27414.08565 27974.66243 49570.69155 53012.03541 52287.77214 49171.15138 37309.72269 48839.02964 45676.57878 40133.96153 85456.44354 Carnitine 179556770.1 180666425.3 201305913.9 182227054.3 190374197.4 189116008.8 176811052.8 169576077.7 230703100.2 241005239.5 256229674.9 255080096.1 250593429.1 210465232 231023058.9 147275725.7 182767372 Carnosine 9646116.552 26730281.81 6046820.384 5863286.814 16050176.74 4740645.095 9252848.823 6570266.522 3104366.849 2842051.751 2847975.224 2509549.441 1124099.345 1681340.729 1959536.542 932356.7803 9460486.122 Choline 397624.3887 217130.4499 335362.1861 469085.9419 512841.4856 857917.0036 872817.6085 955181.0658 460140.1612 461820.5808 979206.2606 479935.9224 349072.5217 303086.1858 1538769.011 276587.4225 545208.8034 Citrulline 154908.1285 111550.5622 113439.0747 133414.684 142535.7415 44482.38373 41206.58378 35488.90327 87888.29122 95056.44582 109566.1291 83345.59697 38585.34541 60083.16769 68695.7809 51668.15659 298803.46 Colchicine 3166.251 1551.056881 N/A 2531.935021 2392.936948 N/A 1557.725423 2825.853821 1749.299457 1581.768787 3716.674823 N/A N/A N/A N/A 3591.083611 N/A Cotinine 469733.6095 309202.9626 527363.3599 463213.6718 380069.2009 174743.1472 153043.4144 224360.8419 477950.2586 553886.2825 523613.9086 376774.8614 3281.48856 982.7156457 3808.676761 2519.711756 10328.67087 Creatine 2041207.561 1495234.928 1522648.9 1783299.372 1981890.302 1446177.998 1911992.716 2938698.679 1704613.355 1568947.879 3494978.293 2179995.33 2151167.018 2278925.567 1919684.709 2652611.923 2002034.807 Cystamine 410587.6721 303822.7581 405738.6488 335327.0437 352869.6715 94292.83526 166693.9964 145259.6702 340494.5597 345721.9224 335186.2509 293049.8202 102059.8337 42863.97703 69182.24515 14924.84679 1309165.824 Cysteamine 9572.430284 N/A 75260.02596 21874.67227 13054.76977 13083.56053 3848.79931 9988.037992 17209.92097 16181.12844 31401.61538 11472.93142 17027.42719 15152.63926 9256.941421 6058.777838 9524.288659 Cysteine 2127.677952 N/A N/A N/A N/A N/A N/A N/A N/A N/A 2471.655279 1361.718711 N/A 1385.474949 N/A N/A 3250.568947 Cytidine 594011.9515 304091.9258 1210663.113 650067.9176 545839.2853 103853.635 72406.95561 122635.0862 300626.7385 317098.8386 424302.5667 223196.0626 777935.6545 1199303.101 1038904.223 1036944.837 2091543.381 Cytosine 439239.3121 230296.577 871204.9299 561019.0542 523877.5437 88872.42965 44647.72855 116224.112 209651.1272 293783.4074 230590.7882 154243.4307 660748.0321 1096855.191 928197.2924 877244.6934 1691979.747 DMGV N/A N/A N/A N/A 1915.185289 2522.353894 N/A N/A N/A 1511.344015 732.4392843 N/A N/A N/A N/A 1205.855281 5088.580545 Epinephrine.1 3573.728857 N/A 12335.56569 5962.535092 13754.22023 N/A 9620.579833 7786.286029 N/A N/A 4608.757526 7221.628784 4554.597446 N/A 11292.583 11178.11488 N/A Epinephrine.2 1531.768604 547.3251415 N/A N/A 1583.334072 1617.301283 1476.860343 1146.241522 N/A 1115.141466 N/A 2250.877249 N/A N/A N/A N/A 2067.706344 Epinephrine.3 N/A N/A 3935.613661 N/A 5423.922141 N/A N/A N/A N/A N/A N/A 5055.111028 N/A 7181.311111 11650.38451 N/A N/A Epinephrine.4 5778.555242 1552.46082 N/A 1067.313332 2244.709205 5061.954639 5884.467677 3678.395989 15419.9639 2956.850197 14877.50393 12796.93109 4857.635171 1967.903781 2717.513519 7834.416764 3239.878765 GABA.1 N/A N/A N/A N/A 2436.041399 N/A N/A N/A 1094.471749 N/A N/A N/A N/A N/A N/A N/A N/A GABA.2 59012.81319 51322.66967 68031.93391 44084.32043 45353.59333 37962.09527 58762.07178 37184.63713 73293.0824 61202.71605 88806.4515 97555.35398 74594.67417 54197.26181 68011.22201 45351.87939 45276.23581 GlucosePos2 N/A 9218.457502 N/A N/A 22666.21786 8613.534052 11202.07486 8595.448209 N/A N/A N/A N/A N/A 34849.0137 37275.67223 38671.99557 26007.99634 Glutamate 25857359.1 21426949.75 29416460.94 26183606.97 29562979.67 11253009.2 14050752.24 8486891.781 24079868.12 28951048.5 23884391.46 29671188.09 29164407.62 31157834.05 28500245.74 19297899.17 17226156.18 Glutamine_spec 2011979.623 2234879.564 2544244.001 1959537.521 1924058.577 765271.3548 804466.7811 684794.5772 1968007.171 2351592.979 1640870.559 2400516.335 1682007.024 2031166.28 1466232.649 1027863.383 1963762.831 Glycerol N/A 1701.726216 N/A N/A N/A 4413.933298 N/A 1442.398149 2338.995036 983.4426582 1064.754641 1769.36454 N/A N/A 3906.390473 2519.063476 N/A Glycine 65791.65684 95809.62551 62114.16624 76918.20738 93470.11645 65438.88961 73773.7574 73590.18291 46992.38073 46767.6243 65226.35046 78696.84174 55454.8777 61156.36147 195267.2574 70339.53632 164575.2687 Glyoxylic acid 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 Histamine 109463.7197 134230.8099 106276.7192 101437.6335 84499.9952 44595.67153 58741.46049 54602.81847 49303.70071 43616.40418 46516.13553 37815.53385 46262.8321 206415.4477 146081.7263 84559.52982 216997.5709 Histidine 16433400.28 22652201.67 14209642.69 15915275.83 20448782.01 17687830.55 11563992.54 9029193.504 14106775.1 11086491.98 12675610.18 13904382.26 38080175.72 162146828.9 268181308.7 36307005.59 45362399.3 HomocysteineN 568242.2745 339201.634 468245.6957 379823.3229 385551.3946 292155.5871 336435.2556 432499.0616 446270.8045 399318.3496 516098.4738 380104.6103 528499.336 452109.2017 301980.6357 398501.5827 401801.4117 Isoleucine 429179.4358 404808.1184 420857.6055 407201.3083 487582.4643 234784.2706 292221.3272 267140.6937 375701.9188 355612.634 289858.2141 340259.6127 135797.6312 635805.2433 406036.6225 139347.389 1035893.352 Isoleucine_Leucine 9385407.43 8338759.354 9071922.692 8481090.164 9001326.18 4899140.179 5665441.662 5078200.225 7387707.815 7444286.968 7213537.464 7970535.485 3638844.876 11642735.01 10252851.94 3028507.386 16220511.45 Isovalerylcarnitine.1 8291133.188 7001810.054 14084353.53 9488034.434 5325753.418 3508183.149 6329367.396 4722288.961 22797991.29 13075791.9 16318391.53 13073855.26 21478496.33 24695555.06 20430543.59 11603648.75 21171395.94 Isovalerylcarnitine.2 3911968.066 3473726.604 5105906.214 4960997.132 2443091.54 1590342.098 2936870.502 2431054.984 8000553.127 7266587.056 6361093.462 5655742.088 8072012.432 9857068.607 7905810.214 4710401.093 7968854.45 KIV N/A N/A N/A N/A N/A N/A N/A N/A 7455.907019 N/A N/A N/A N/A N/A 14315.88547 N/A N/A Kynurenic acid 90889.76671 86611.9491 77684.06719 78538.31595 73817.47637 98026.19391 62533.46174 108654.247 92044.91281 104190.7406 59189.25369 96601.44446 192339.9444 47732.16304 212037.1497 114649.5975 4969605.193 Leucine 53632591.34 46850433.9 51452218.11 49114962.05 44727332.4 31241215.48 40310484.09 28378523.63 49190769.48 59515623.26 56576685.41 61398761.48 56910708.9 64349489.54 56406464.1 37098132.59 52301635.54 L-Homoserine 1031940.31 862003.3896 1110809.835 1524926.527 1531322.323 671525.8608 804564.8766 654948.5531 1063181.318 1022426.035 881312.635 1135861.975 1441901.963 1316724.008 2700310.696 1020819.549 4631705.28 L-NMMA 299988.1043 270916.0213 252245.9551 235186.6256 251200.8496 67885.34712 131717.4606 100543.1299 182292.0436 163216.9024 162062.4314 160200.3954 187678.9788 128978.5478 209980.929 72306.02728 435963.4278 Lysine 165437378.1 135677722.6 111162968 142708653.9 135176841.6 56723283.29 67036603.32 60251009.34 141107309.1 152091651.1 126083742.9 178551000.5 128467298.7 155945116.3 121707415.1 87848611.74 144569589.8 MES 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 Methionine 194728.8188 199494.7252 203847.8216 174503.8018 258695.5585 106145.0207 121620.0797 104472.487 249136.6655 196653.0744 252563.0949 218286.5662 204553.6422 817914.7132 732698.6962 291013.9046 1015811.536 MetSul 1639035.318 1400100.516 1578796.786 1438752.729 1605894.189 694638.1763 711815.5407 657290.3679 1261425.231 1184697.016 1224866.012 1237555.44 785107.8463 2436767.111 2055299.537 690466.1926 4320832.031 N-acetylglutamine 3732163.891 3593295.408 3929975.388 3239718.867 3601041.135 1347887.136 1619693.657 1137277.128 3100221.967 3197448.203 2602903.422 3090919.321 3216212.925 5327470.481 4527198.844 1579377.677 8941164.653 Norephrine.1 1632168.732 658638.5483 1550589.441 1440860.918 715080.809 2120421.272 1274829.733 1637692.937 1123653.481 1769001.171 913704.3775 1050565.207 1271768.967 1599220.115 801287.0559 1435544.715 1245183.404 Norephrine.2 46488.45125 37671.95517 19996.18147 43396.73476 44589.26082 9525.07138 30992.64438 22963.97981 29779.20283 16185.10971 33696.01963 34491.15421 24320.66863 13334.18967 42107.24987 N/A 173491.689 Norephrine.3 N/A 2787.929206 N/A N/A 7895.425967 N/A 5980.430555 N/A N/A 6845.099945 N/A 2492.616554 N/A N/A N/A 10659.58551 N/A Norephrine.4 2679.210316 N/A N/A 1993.627844 4841.534788 3164.026358 N/A N/A N/A 1809.954648 N/A 2879.743427 N/A 4206.613327 N/A N/A N/A Ornithine 1530841.412 1971189.944 731960.9849 1468287.321 2000441.846 980321.2438 1191896.978 1040899.108 1384045.315 1062523.199 1344326.708 1284928.864 465822.3861 620357.814 565727.3733 472987.0557 2257454.57 Phe-d8 7135781.897 6453126.277 7294466.146 7432233.969 8067968.449 5938340.9 7718982.975 7733749.675 6970080.922 6517755.846 7328179.39 7335283.345 9403958.022 8409203.847 9710787.998 8026955.766 7758810.688 Phenylalanine 9004144.579 8327987.42 9260817.297 8938871.484 9808241.683 4673848.351 5209758.609 4588954.37 8160032.517 7539192.837 7903208.733 7358908.83 5589533.613 10449007 20379581.06 5194326.858 30419497.25 Phosphocholine 1678179.138 1661007.654 1503757.793 1573773.04 1494821.254 1225342.692 1287061.973 1441096.595 1533514.304 1630279.502 2335277.018 1863917.915 1338649.262 1924996.91 1652854.744 1452206.91 1253909.712 Phosphoethanolamine 11689.12247 9122.731227 N/A 12455.16935 N/A 4247.1414 N/A N/A 9296.261826 9877.712688 N/A 5484.794855 4353.932645 6193.939821 N/A N/A N/A Proline 31582998.69 25516862.43 19749931.45 24320642.86 27332965.3 17049350.89 17153628.21 19369505.99 26474105.18 20844454.02 29097931.67 29830802.91 11455452.35 22821090.2 124448667.4 18478257.35 86952826.25 Propyl-l-carnitinne 402181.5308 236281.3134 1184512.577 706370.57 321806.7596 211862.5514 186353.0562 400582.3105 821106.3383 981351.468 416113.256 651141.8366 276879.1605 905710.2039 334108.8316 535354.8548 189692.7712 Purine 17781.90677 15022.15552 8357.688734 11922.1 15763.70351 17188.5559 16803.39137 6705.798995 12595.50593 12587.26905 13448.04613 24975.63865 15750.13202 19140.48346 26447.08212 17416.34499 35234.59345 Pyridoxine 227377.4155 82976.56704 209903.8139 258269.3687 189295.2441 273863.6293 222029.162 241984.3561 227631.8635 306381.5983 194629.2854 250309.4522 184889.0534 221685.6373 150431.4377 269400.7291 239257.8192 Riboflavin 185631.3873 132200.2857 189829.0609 133917.4952 126980.5233 174100.7317 112418.689 195300.8045 140657.9782 166270.2311 148884.341 142472.7026 137156.6079 118644.8945 142584.4789 88864.90163 329507.5356 Serine 21659.83635 19289.63126 32936.92453 41863.95576 21954.12069 39788.16415 55576.93586 36457.7656 28267.46405 21943.75359 15911.08379 44972.54481 36940.76473 37876.46789 93306.33902 70251.44695 79178.32137 Serotonin 19512.44524 21906.90673 20345.68767 25360.36642 27706.21385 10980.33357 12160.4409 6722.904735 16103.52244 15397.1224 16777.58157 17326.10625 8313.542996 11712.16813 14872.64047 11870.2335 80073.90698 Spermine 8011529.308 9055280.913 7295208.552 6346235.624 8542247.737 3296227.647 4498872.885 3738906.178 5567552.943 5754063.092 5884366.814 5360292.11 6332066.696 3654031.031 11238652.32 2947699.674 25531247.7 Taurine 68208394.31 65107225.83 71135215.87 61661132.39 75798821.72 50482498.04 64065898.13 49968233.54 40488272.96 41462132.69 37542265.1 43542095.3 45026294.71 55492421.16 66979432.25 29264714.68 51425636.7 Thiamine 27807.75943 33000.82823 30243.12617 25645.09404 22915.03752 17363.75367 19358.64135 18543.73654 16223.67084 19461.25774 20755.06558 18057.318 5267.581506 17485.03329 36483.73671 8596.652399 7816.181313 Threonine 1380323.491 1012146.56 1444987.266 1340633.95 1601952.567 748429.1212 838056.6507 661123.6562 860149.4398 1034268.041 1220865.75 1003407.361 1512341.435 1441637.315 3446072.992 1132300.625 4808162.644 Thymidine 2821.921965 2468.542798 3729.594147 4452.31224 2670.869691 3861.377734 4504.69466 3224.603905 3834.296068 3051.782377 3872.958337 2237.815135 3991.772973 4606.213801 4825.365999 3312.145463 3383.22839 Thyroxine 16260.04831 13671.51947 10615.25576 11126.06843 11027.85982 7282.33626 8754.792764 10323.82252 14823.06122 12027.94899 8228.161181 8290.57771 6732.265148 6882.038254 6410.124067 4583.570926 23111.32639 TMA.1 350163.7419 1305296.245 236773.4045 680152.6423 878724.6805 2149252.67 2568978.636 1043757.457 1802839.057 1752177.272 4180712.386 1238779.384 1100202.939 1017576.305 3366572.037 1170733.378 2091535.462 TMA.2 2404126.264 3646095.565 2497044.462 1978484.565 3270689.715 5054534.787 5649024.266 5818803.235 3559750.418 3882159.77 3125873.109 3329135.72 2464981.625 1464433.936 8858061.21 2999150.568 5449721.519 TMAOd9 44032464.6 40775708.4 34960744.64 22212544.83 37047539.97 43409246.19 34922916.94 13753359.01 25972780.25 17704559.74 27757546.86 38320977.16 44741667.44 37948048.42 42193686.87 38557642.21 46221825.17 TMNO 954628.2631 928694.192 803824.9457 447291.5835 972216.7134 687191.7265 632643.1456 452192.7326 770966.6735 468057.6224 503426.1373 722923.1323 1107622.929 413634.0693 175006.5705 364202.5563 3385392.98 trans-HYP 2057422.155 1932332.893 1875764.364 2169713.762 2397585.332 1353748.806 2108786.57 2603569.193 2092275.136 1954195.499 3366616.082 2309636.693 2188917.378 2435675.945 2135044.054 2731345.744 2183361.977 Triidothyronine 21728.34272 12837.70123 25379.59639 22255.17555 24497.46366 17085.15081 17165.06025 13940.697 20230.87645 21456.70348 22597.54328 27103.90661 21270.21991 27971.76421 31731.63114 14334.26133 40338.95887 Tryptophan 2653037.091 2708891.19 2755459.941 2285609.327 3341708.661 1063042.994 1796307.514 1495355.392 1752353.47 1773611.674 1930617.91 1698094.215 1310448.232 5203402.534 6241116.782 1035700.482 11237052.67 Tyrosine 1552843.025 1259134.066 1403411.169 1313709.056 1439719.41 580021.6246 707049.8449 664379.2379 1370953.157 1212363.549 1236122.372 1240294.895 738383.0005 1984209.07 2546613.643 600829.8366 4403895.466 Uridine 2249035.589 2667872.187 2261438.989 2060848.59 1737348.639 741220.0241 1117927.484 1174300.11 974026.5729 930678.5265 980558.0203 772345.6229 865076.7102 4059004.027 2983250.894 1733190.2 4273853.069 Valine 3537156.364 3927323.655 5633450.102 3841691.554 4517926.168 2543810.157 3025744.214 2414100.292 3644135.61 4258843.646 3599632.799 4974051.59 2121366.316 3217840.787 3927319.563 1628622.498 6545162.686 Valine-d8 2230284.141 2740489.024 3184404.302 2696596.122 3100790.77 2729533.059 2876897.156 2504830.462 2657708.645 2878181.027 2399862.386 3402938.111 3899148.873 4118969.075 4174633.808 3898010.662 3493791.883 ketoisocaproic acid.1 21248.85373 12179.1208 37581.51936 32298.70761 N/A 13173.19464 N/A N/A 18981.55528 9007.388683 23086.49995 10118.25342 N/A N/A 24726.2119 9614.597413 N/A ketoisocaproic acid.2 10499.54817 14360.4531 7324.77614 15066.67843 12423.73939 19290.58859 4375.522523 16430.63038 6263.773183 16255.8191 13762.72664 15986.69517 16073.99316 10223.44711 19838.73512 11978.55016 12946.52203 ketomethylvaleric acid.1 6723.273641 8072.887336 N/A 6144.705717 10595.40013 7095.421916 7584.110388 N/A 8977.862015 N/A 6741.397433 12815.92103 6325.819688 8280.428759 N/A N/A 16900.61243 keto-methylvaleric acid.2 3685136.116 2799272.268 3617280.524 3579294.399 3778075.139 1121368.556 1685723.689 1090219.945 2666745.479 3702516.835 3333358.644 4342510.074 3013630.262 3273980.88 2569234.261 1466636.718 2981509.374 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB KEGG 1-methylhistamine HMDB0000898 C05127 2-Arachidonyl glycerol #N/A #N/A 2'-deoxyadenosine #N/A #N/A 2'-deoxycytidine HMDB0000014 C00881 2-Methylbutyrylcarnitine.1 HMDB0000378 NA 2-Methylbutyrylcarnitine.2 HMDB0000378 NA 2-Methylbutyrylcarnitine.3 #N/A #N/A 3-deaazadenosine #N/A #N/A 3HK #N/A #N/A 3-IPA NA NA 5-Aminolevulinic Acid #N/A #N/A 5-HIAA HMDB0000763 C05635 AAD HMDB0302754 C00956 Acetoacetic Acid #N/A #N/A Acetylcarnitine HMDB0000201 C02571 Acetylcholine HMDB0000895 C01996 Adenosine HMDB0000050 C00212 ADMA HMDB0001539 C03626 Alanine HMDB0000161 C00041 Anandamide HMDB0004080 C11695 Anserine HMDB0000194 C01262 Arachidonic acid #N/A #N/A Arginine HMDB0000517 C00062 Asparagine HMDB0000168 C00152 Aspartate HMDB0000191 C00049 BAIBA NA C05145 beta-Alanine HMDB0000056 C00099 Betaine HMDB0000043 C00719 C4-butyrl-carnitine HMDB0002013 NA cAMP HMDB0000058 C00575 Carnitine HMDB0000062 C00487 Carnosine HMDB0000033 C00386 Choline HMDB0000097 C00114 Citrulline HMDB0000904 C00327 Colchicine #N/A #N/A Cotinine #N/A #N/A Creatine HMDB0000064 C00300 Cystamine HMDB0250701 C01678 Cysteamine HMDB0002991 C01678 Cysteine HMDB0000574 C00097 Cytidine HMDB0000089 C00475 Cytosine HMDB0000630 C00380 DMGV HMDB0240212 NA Epinephrine.1 NA C00788 Epinephrine.2 #N/A #N/A Epinephrine.3 #N/A #N/A Epinephrine.4 #N/A #N/A GABA.1 #N/A #N/A GABA.2 NA C00334 GlucosePos2 #N/A #N/A Glutamate HMDB0000148 C00025 Glutamine_spec NA C00064 Glycerol #N/A #N/A Glycine HMDB0000123 C00037 Glyoxylic acid #N/A #N/A Histamine HMDB0000870 C00388 Histidine HMDB0000177 C00135 HomocysteineN #N/A #N/A Isoleucine HMDB0000172 C00407 Isoleucine_Leucine NA NA Isovalerylcarnitine.1 NA C20826 Isovalerylcarnitine.2 NA C20826 KIV #N/A #N/A Kynurenic acid NA C01717 Leucine HMDB0000687 C00123 L-Homoserine HMDB0000719 C00263 L-NMMA HMDB0029416 C03884 Lysine HMDB0000182 C00047 MES #N/A #N/A Methionine HMDB0000696 C00073 MetSul NA NA N-acetylglutamine HMDB0006029 NA Norephrine.1 #N/A #N/A Norephrine.2 HMDB0000216 C00547 Norephrine.3 #N/A #N/A Norephrine.4 HMDB0000216 C00547 Ornithine HMDB0000214 C00077 Phe-d8 NA C00079 Phenylalanine HMDB0000159 C00079 Phosphocholine HMDB0001565 C00588 Phosphoethanolamine #N/A #N/A Proline HMDB0000162 C00148 Propyl-l-carnitinne HMDB0000824 C03017 Purine HMDB0001366 C15587 Pyridoxine #N/A #N/A Riboflavin HMDB0000244 C00255 Serine HMDB0000187 C00065 Serotonin HMDB0000259 C00780 Spermine HMDB0001256 C00750 Taurine HMDB0000251 C00245 Thiamine HMDB0000235 C00378 Threonine HMDB0000167 C00188 Thymidine HMDB0000273 C00214 Thyroxine HMDB0000248 C01829 TMA.1 NA C22747 TMA.2 NA C22747 TMAOd9 NA C01104 TMNO NA C01104 trans-HYP NA C01157 Triidothyronine NA C02465 Tryptophan HMDB0000929 C00078 Tyrosine HMDB0000158 C00082 Uridine HMDB0000296 C00299 Valine HMDB0000883 C00183 Valine-d8 NA C00183 ketoisocaproic acid.1 #N/A #N/A ketoisocaproic acid.2 #N/A #N/A ketomethylvaleric acid.1 #N/A #N/A keto-methylvaleric acid.2 #N/A #N/A METABOLITES_END #END