#METABOLOMICS WORKBENCH dmukha_20240809_140143 DATATRACK_ID:5093 STUDY_ID:ST003412 ANALYSIS_ID:AN005604 PROJECT_ID:PR001941 VERSION 1 CREATED_ON August 16, 2024, 3:40 pm #PROJECT PR:PROJECT_TITLE The shutdown of NADH oxidation via Respiratory Complex I mimics fatty acid PR:PROJECT_TITLE biosynthesis inhibition PR:PROJECT_TYPE LC-MS Quantitative Analysis PR:PROJECT_SUMMARY Proliferating cancer cells actively utilize anabolic processes for biomass PR:PROJECT_SUMMARY production, including de novo biosynthesis of amino acids, nucleotides, and PR:PROJECT_SUMMARY fatty acids. The key enzyme of the fatty acid biosynthesis pathway, fatty acid PR:PROJECT_SUMMARY synthase (FASN), is widely recognized as a promising therapeutic target in PR:PROJECT_SUMMARY cancer and other health conditions. Here, we establish a metabolic signature of PR:PROJECT_SUMMARY FASN inhibition using a panel of pharmacological inhibitors (GSK2194069, PR:PROJECT_SUMMARY TVB-2640, TVB-3166, C75, cerulenin, and Fasnall). We find that the activity of PR:PROJECT_SUMMARY some commonly used FASN inhibitors is inconsistent with the metabolic signature PR:PROJECT_SUMMARY of FASN inhibition (accumulation of malonate, succinate, malonyl coenzyme A, PR:PROJECT_SUMMARY succinyl coenzyme A, and other metabolic perturbations). Moreover, we show that PR:PROJECT_SUMMARY one of these putative FASN inhibitors, Fasnall, is a respiratory Complex I PR:PROJECT_SUMMARY inhibitor that mimics FASN inhibition through NADH accumulation and consequent PR:PROJECT_SUMMARY depletion of the tricarboxylic acid cycle metabolites. We demonstrate that PR:PROJECT_SUMMARY Fasnall impairs tumor growth in several oxidative phosphorylation-dependent PR:PROJECT_SUMMARY cancer models, including combination therapy-resistant melanoma patient-derived PR:PROJECT_SUMMARY xenografts. Fasnall administration does not reproduce neurological side effects PR:PROJECT_SUMMARY in mice reported for other Complex I inhibitors. Our results have significant PR:PROJECT_SUMMARY implications for understanding the FASN role in human health and disease and PR:PROJECT_SUMMARY provide evidence of therapeutic potential for Complex I inhibitors with fast PR:PROJECT_SUMMARY systemic clearance. Our findings also highlight the continuing need for PR:PROJECT_SUMMARY validation of small molecule inhibitors to distinguish high-quality chemical PR:PROJECT_SUMMARY probes and to expand the understanding of their application. PR:INSTITUTE Wistar Institute PR:DEPARTMENT Molecular and Cellular Oncogenesis Program, Ellen and Ronald Caplan Cancer PR:DEPARTMENT Center PR:LABORATORY Schug's Lab PR:LAST_NAME Mukha PR:FIRST_NAME Dzmitry PR:ADDRESS 3601 Spruce St., Philadelphia, Pennsylvania 19104, USA PR:EMAIL dmukha@wistar.org PR:PHONE +12154956903 PR:FUNDING_SOURCE This work was supported by grants from the National Institutes of Health (NIH) PR:FUNDING_SOURCE National Cancer Institute (NCI) DP2 CA249950-01 (Z.T.S.), NIH NCI P01 CA114046 PR:FUNDING_SOURCE (Z.T.S.), Melanoma Research Foundation 717173 (Z.T.S.), and Susan G. Komen PR:FUNDING_SOURCE CCR19608782 (Z.T.S.). PR:PROJECT_COMMENTS Project PR001941 PR:PUBLICATIONS Submission Pending PR:CONTRIBUTORS Dzmitry Mukha, Jena Dessain, Seamus O’Connor, Katherine Pniewski, Fabrizio PR:CONTRIBUTORS Bertolazzi, Jeet Patel, Mary Mullins, Zachary T. Schug #STUDY ST:STUDY_TITLE Intracellular and medium metabolomics for BT-474 cells treated with cerulenin, ST:STUDY_TITLE TVB-2640, and TVB-3166 for 24 h ST:STUDY_TYPE Intracellular metabolomics, medium metabolomics ST:STUDY_SUMMARY Intracellular and medium metabolomics for BT-474 cells treated with cerulenin, ST:STUDY_SUMMARY TVB-2640, and TVB-3166 for 24 h ST:INSTITUTE Wistar Institute ST:DEPARTMENT Molecular and Cellular Oncogenesis Program, Ellen and Ronald Caplan Cancer ST:DEPARTMENT Center ST:LABORATORY Schug's Lab ST:LAST_NAME Mukha ST:FIRST_NAME Dzmitry ST:ADDRESS 3601 Spruce St, Philadelphia, PA 19104, USA ST:EMAIL dmukha@wistar.org ST:PHONE +12154956903 ST:NUM_GROUPS 45 ST:TOTAL_SUBJECTS 135 ST:PUBLICATIONS Submission Pending #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 60 SU:GENDER Female SU:CELL_STRAIN_DETAILS BT-474, breast cancer cell line #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 - 01 Blank Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (2).mzML SUBJECT_SAMPLE_FACTORS - 02 DMEM/F12 no adds Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds.mzML SUBJECT_SAMPLE_FACTORS - 03 Blank Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (3).mzML SUBJECT_SAMPLE_FACTORS - 04 BT474 Cerulenin 0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM med.mzML SUBJECT_SAMPLE_FACTORS - 05 BT474 Cerulenin 0.5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM med.mzML SUBJECT_SAMPLE_FACTORS - 06 BT474 Cerulenin 2.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM med.mzML SUBJECT_SAMPLE_FACTORS - 07 BT474 Cerulenin 4.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM med.mzML SUBJECT_SAMPLE_FACTORS - 08 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med.mzML SUBJECT_SAMPLE_FACTORS - 09 BT474 Cerulenin 6.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM med.mzML SUBJECT_SAMPLE_FACTORS - 10 BT474 Cerulenin 20 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM med.mzML SUBJECT_SAMPLE_FACTORS - 11 BT474 Cerulenin 50 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM med.mzML SUBJECT_SAMPLE_FACTORS - 12 BT474 Cerulenin 0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 13 BT474 Cerulenin 0.5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 14 BT474 Cerulenin 2.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 15 BT474 Cerulenin 4.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 16 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (2).mzML SUBJECT_SAMPLE_FACTORS - 17 BT474 Cerulenin 6.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 18 BT474 Cerulenin 20 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 19 BT474 Cerulenin 50 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 20 BT474 Cerulenin 0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 21 BT474 Cerulenin 0.5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 22 BT474 Cerulenin 2.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 23 BT474 Cerulenin 4.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 24 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (3).mzML SUBJECT_SAMPLE_FACTORS - 25 BT474 Cerulenin 6.0 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 26 BT474 Cerulenin 20 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 27 BT474 Cerulenin 50 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 28 BT474 Cerulenin 0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 29 BT474 Cerulenin 0.5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 30 BT474 Cerulenin 2.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 31 BT474 Cerulenin 4.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 32 BT474 Cerulenin 6.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 33 BT474 Cerulenin 20 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 34 BT474 Cerulenin 50 uM cells (dead) Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM cells (dead).mzML SUBJECT_SAMPLE_FACTORS - 35 BT474 Cerulenin 0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 36 BT474 Cerulenin 0.5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 37 BT474 Cerulenin 2.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 38 BT474 Cerulenin 4.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 39 BT474 Cerulenin 6.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 40 BT474 Cerulenin 20 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 41 BT474 Cerulenin 50 uM cells (dead) Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM cells (dead) (2).mzML SUBJECT_SAMPLE_FACTORS - 42 BT474 Cerulenin 0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 43 BT474 Cerulenin 0.5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 0.5 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 44 BT474 Cerulenin 2.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 2.0 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 45 BT474 Cerulenin 4.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 4.0 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 46 BT474 Cerulenin 6.0 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 6.0 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 47 BT474 Cerulenin 20 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 20 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 48 BT474 Cerulenin 50 uM cells (dead) Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 Cerulenin 50 uM cells (dead) (3).mzML SUBJECT_SAMPLE_FACTORS - 49 Blank Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (4).mzML SUBJECT_SAMPLE_FACTORS - 50 DMEM/F12 no adds Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds (2).mzML SUBJECT_SAMPLE_FACTORS - 51 Blank Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (5).mzML SUBJECT_SAMPLE_FACTORS - 52 BT474 TVB-2640 0 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM med.mzML SUBJECT_SAMPLE_FACTORS - 53 BT474 TVB-2640 1 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM med.mzML SUBJECT_SAMPLE_FACTORS - 54 BT474 TVB-2640 20 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM med.mzML SUBJECT_SAMPLE_FACTORS - 55 BT474 TVB-2640 50 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM med.mzML SUBJECT_SAMPLE_FACTORS - 56 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (4).mzML SUBJECT_SAMPLE_FACTORS - 57 BT474 TVB-2640 200 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM med.mzML SUBJECT_SAMPLE_FACTORS - 58 BT474 TVB-2640 500 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM med.mzML SUBJECT_SAMPLE_FACTORS - 59 BT474 TVB-2640 5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM med.mzML SUBJECT_SAMPLE_FACTORS - 60 BT474 TVB-2640 0 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 61 BT474 TVB-2640 1 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 62 BT474 TVB-2640 20 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 63 BT474 TVB-2640 50 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 64 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (5).mzML SUBJECT_SAMPLE_FACTORS - 65 BT474 TVB-2640 200 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 66 BT474 TVB-2640 500 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 67 BT474 TVB-2640 5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 68 BT474 TVB-2640 0 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 69 BT474 TVB-2640 1 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 70 BT474 TVB-2640 20 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 71 BT474 TVB-2640 50 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 72 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (6).mzML SUBJECT_SAMPLE_FACTORS - 73 BT474 TVB-2640 200 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 74 BT474 TVB-2640 500 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 75 BT474 TVB-2640 5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 76 BT474 TVB-2640 0 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 77 BT474 TVB-2640 1 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 78 BT474 TVB-2640 20 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 79 BT474 TVB-2640 50 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 80 BT474 TVB-2640 200 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 81 BT474 TVB-2640 500 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 82 BT474 TVB-2640 5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 83 BT474 TVB-2640 0 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 84 BT474 TVB-2640 1 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 85 BT474 TVB-2640 20 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 86 BT474 TVB-2640 50 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 87 BT474 TVB-2640 200 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 88 BT474 TVB-2640 500 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 89 BT474 TVB-2640 5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 90 BT474 TVB-2640 0 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 0 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 91 BT474 TVB-2640 1 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 1 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 92 BT474 TVB-2640 20 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 20 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 93 BT474 TVB-2640 50 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 50 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 94 BT474 TVB-2640 200 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 200 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 95 BT474 TVB-2640 500 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 500 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 96 BT474 TVB-2640 5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-2640 5 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 97 Blank Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (6).mzML SUBJECT_SAMPLE_FACTORS - 98 DMEM/F12 no adds Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds (3).mzML SUBJECT_SAMPLE_FACTORS - 99 Blank Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (7).mzML SUBJECT_SAMPLE_FACTORS - 100 BT474 TVB-3166 0 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM med.mzML SUBJECT_SAMPLE_FACTORS - 101 BT474 TVB-3166 1 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM med.mzML SUBJECT_SAMPLE_FACTORS - 102 BT474 TVB-3166 20 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM med.mzML SUBJECT_SAMPLE_FACTORS - 103 BT474 TVB-3166 50 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM med.mzML SUBJECT_SAMPLE_FACTORS - 104 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (7).mzML SUBJECT_SAMPLE_FACTORS - 105 BT474 TVB-3166 200 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM med.mzML SUBJECT_SAMPLE_FACTORS - 106 BT474 TVB-3166 500 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM med.mzML SUBJECT_SAMPLE_FACTORS - 107 BT474 TVB-3166 5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM med.mzML SUBJECT_SAMPLE_FACTORS - 108 BT474 TVB-3166 0 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 109 BT474 TVB-3166 1 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 110 BT474 TVB-3166 20 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 111 BT474 TVB-3166 50 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 112 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (8).mzML SUBJECT_SAMPLE_FACTORS - 113 BT474 TVB-3166 200 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 114 BT474 TVB-3166 500 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM med (2).mzML SUBJECT_SAMPLE_FACTORS - 115 BT474 TVB-3166 5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM med (2).mzML SUBJECT_SAMPLE_FACTORS - 116 BT474 TVB-3166 0 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 117 BT474 TVB-3166 1 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 118 BT474 TVB-3166 20 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 119 BT474 TVB-3166 50 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 120 BT474 bottle med Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 bottle med (9).mzML SUBJECT_SAMPLE_FACTORS - 121 BT474 TVB-3166 200 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 122 BT474 TVB-3166 500 nM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM med (3).mzML SUBJECT_SAMPLE_FACTORS - 123 BT474 TVB-3166 5 uM med Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM med (3).mzML SUBJECT_SAMPLE_FACTORS - 124 BT474 TVB-3166 0 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 125 BT474 TVB-3166 1 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 126 BT474 TVB-3166 20 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 127 BT474 TVB-3166 50 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 128 BT474 TVB-3166 200 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 129 BT474 TVB-3166 500 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM cells.mzML SUBJECT_SAMPLE_FACTORS - 130 BT474 TVB-3166 5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM cells.mzML SUBJECT_SAMPLE_FACTORS - 131 BT474 TVB-3166 0 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 132 BT474 TVB-3166 1 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 133 BT474 TVB-3166 20 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 134 BT474 TVB-3166 50 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 135 BT474 TVB-3166 200 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 136 BT474 TVB-3166 500 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 137 BT474 TVB-3166 5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM cells (2).mzML SUBJECT_SAMPLE_FACTORS - 138 BT474 TVB-3166 0 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 0 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 139 BT474 TVB-3166 1 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 1 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 140 BT474 TVB-3166 20 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 20 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 141 BT474 TVB-3166 50 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 50 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 142 BT474 TVB-3166 200 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 200 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 143 BT474 TVB-3166 500 nM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 500 nM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 144 BT474 TVB-3166 5 uM cells Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-BT474 TVB-3166 5 uM cells (3).mzML SUBJECT_SAMPLE_FACTORS - 145 Blank Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (8).mzML SUBJECT_SAMPLE_FACTORS - 146 DMEM/F12 no adds Sample source:NA | Sample Type:QC | Drug:- | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-DMEM_F12 no adds (4).mzML SUBJECT_SAMPLE_FACTORS - 147 Blank Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA RAW_FILE_NAME(Raw File Name WIFF)=20230206 Dima Cerulenin TVB.wiff; RAW_FILE_NAME(Raw File Name mzML)=20230206 Dima Cerulenin TVB-Blank (9).mzML #COLLECTION CO:COLLECTION_SUMMARY For medium metabolites, 100 µl of medium was mixed with 400 µl of 100% CO:COLLECTION_SUMMARY methanol (80% final). For intracellular metabolite samples, the medium was CO:COLLECTION_SUMMARY aspirated, and cells were washed with PBS volume matching the volume of the CO:COLLECTION_SUMMARY medium. Metabolites were extracted with ice-cold 80% methanol. The volume of the CO:COLLECTION_SUMMARY solvent was 500 µl per 6-cm Petri dish (scaled according to the ratio of CO:COLLECTION_SUMMARY surface areas for other cell containers). After adding the methanol solution, CO:COLLECTION_SUMMARY cells were scraped from the plates, and all the content was transferred to CO:COLLECTION_SUMMARY Eppendorf tubes. CO:COLLECTION_PROTOCOL_FILENAME DM_metabolomics_samples.txt CO:SAMPLE_TYPE Breast cancer cells CO:COLLECTION_METHOD 80% methanol extraction CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS 1.5 ml plastic centrifuge tubes CO:STORAGE_VIALS 1.5 ml plastic centrifuge tubes #TREATMENT TR:TREATMENT_SUMMARY Cells were grown in RPMI-1640 supplemented with 10% dialyzed FBS and treated TR:TREATMENT_SUMMARY with various drug concentrations - cerulenin, TVB-2640, and TVB-3166 for 24 h. TR:TREATMENT_DOSEDURATION 24 h TR:TREATMENT_VEHICLE DMSO TR:CELL_GROWTH_CONTAINER 6-cm Petri dishes TR:CELL_MEDIA RPMI-1640 TR:CELL_ENVIR_COND 37C, 5% CO2 TR:CELL_PCT_CONFLUENCE ~70% TR:CELL_MEDIA_LASTCHANGED 24 h before collection TR:TREATMENT_COMPOUND Cerulenin, TVB-2640 (Denifanstat), and TVB-3166 #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Intracellular metabolites were extracted with ice-cold 80% methanol, and medium SP:SAMPLEPREP_SUMMARY samples were extracted with 100% methanol. The samples were centrifuged at SP:SAMPLEPREP_SUMMARY 18,000 g 4C for 20 min. After transferring the supernatant to new tubes, SP:SAMPLEPREP_SUMMARY centrifugation was repeated with the same parameters. SP:SAMPLEPREP_PROTOCOL_FILENAME DM_metabolomics_samples.txt SP:PROCESSING_STORAGE_CONDITIONS 4℃ SP:EXTRACTION_METHOD 80% methanol SP:EXTRACT_ENRICHMENT None SP:EXTRACT_CLEANUP None SP:EXTRACT_STORAGE -80℃ SP:SAMPLE_RESUSPENSION None SP:SAMPLE_DERIVATIZATION None SP:SAMPLE_SPIKING None SP:SUBCELLULAR_LOCATION Intracellular metabolites and medium metabolites #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Merck SeQuant ZIC-HILIC (150 x 2.1mm,5um) CH:SOLVENT_A 100% Water; 0.01% ammonium hydroxide; 20 mM ammonium bicarbonate CH:SOLVENT_B 100% Acetonitrile CH:FLOW_GRADIENT 0-12.5 min, 80-30% B; 12.5-15 min, 30% B; 15-15.2 min, 30-80% B; 15.2-22.5 min, CH:FLOW_GRADIENT 80% B CH:FLOW_RATE 0-20 min, 0.2 ml/min; 20-21 min 0.2-0.3 ml/min; 21-22 min, 0.3 ml/min; 22-22.1 CH:FLOW_RATE min, 0.2 ml/min; 22.1-22.5 min, 0.2 ml/min CH:COLUMN_TEMPERATURE 40 CH:COLUMN_PRESSURE 900-3000 psi CH:INJECTION_TEMPERATURE 4 CH:SAMPLE_INJECTION 1-5 ul #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Schug's Lab AN:OPERATOR_NAME Dzmitry Mukha, Ph.D. AN:DETECTOR_TYPE High Energy Dynode (HED) and High-Capacity CEM (Continuous Electron Multiplier) AN:SOFTWARE_VERSION SCIEX Analyst 1.7.3 AN:ACQUISITION_DATE 02/06/2023 AN:DATA_FORMAT .WIFF #MS MS:INSTRUMENT_NAME ABI Sciex 5500 QTrap MS:INSTRUMENT_TYPE QTRAP MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Data were analyzed with SCIEX Multiquant 3.0.3. MS:CAPILLARY_TEMPERATURE 500 °C MS:CAPILLARY_VOLTAGE -4500 MS:DRY_GAS_FLOW 70 MS:DRY_GAS_TEMP 500 °C MS:ION_SOURCE_TEMPERATURE 500 °C MS:ION_SPRAY_VOLTAGE -4500 MS:SOURCE_TEMPERATURE 500 °C MS:SPRAY_VOLTAGE -4500 #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Counts per second (cps) MS_METABOLITE_DATA_START Samples 01 Blank 02 DMEM/F12 no adds 03 Blank 04 BT474 Cerulenin 0 uM med 05 BT474 Cerulenin 0.5 uM med 06 BT474 Cerulenin 2.0 uM med 07 BT474 Cerulenin 4.0 uM med 08 BT474 bottle med 09 BT474 Cerulenin 6.0 uM med 10 BT474 Cerulenin 20 uM med 11 BT474 Cerulenin 50 uM med 12 BT474 Cerulenin 0 uM med 13 BT474 Cerulenin 0.5 uM med 14 BT474 Cerulenin 2.0 uM med 15 BT474 Cerulenin 4.0 uM med 16 BT474 bottle med 17 BT474 Cerulenin 6.0 uM med 18 BT474 Cerulenin 20 uM med 19 BT474 Cerulenin 50 uM med 20 BT474 Cerulenin 0 uM med 21 BT474 Cerulenin 0.5 uM med 22 BT474 Cerulenin 2.0 uM med 23 BT474 Cerulenin 4.0 uM med 24 BT474 bottle med 25 BT474 Cerulenin 6.0 uM med 26 BT474 Cerulenin 20 uM med 27 BT474 Cerulenin 50 uM med 28 BT474 Cerulenin 0 uM cells 29 BT474 Cerulenin 0.5 uM cells 30 BT474 Cerulenin 2.0 uM cells 31 BT474 Cerulenin 4.0 uM cells 32 BT474 Cerulenin 6.0 uM cells 33 BT474 Cerulenin 20 uM cells 34 BT474 Cerulenin 50 uM cells (dead) 35 BT474 Cerulenin 0 uM cells 36 BT474 Cerulenin 0.5 uM cells 37 BT474 Cerulenin 2.0 uM cells 38 BT474 Cerulenin 4.0 uM cells 39 BT474 Cerulenin 6.0 uM cells 40 BT474 Cerulenin 20 uM cells 41 BT474 Cerulenin 50 uM cells (dead) 42 BT474 Cerulenin 0 uM cells 43 BT474 Cerulenin 0.5 uM cells 44 BT474 Cerulenin 2.0 uM cells 45 BT474 Cerulenin 4.0 uM cells 46 BT474 Cerulenin 6.0 uM cells 47 BT474 Cerulenin 20 uM cells 48 BT474 Cerulenin 50 uM cells (dead) 49 Blank 50 DMEM/F12 no adds 51 Blank 52 BT474 TVB-2640 0 nM med 53 BT474 TVB-2640 1 nM med 54 BT474 TVB-2640 20 nM med 55 BT474 TVB-2640 50 nM med 56 BT474 bottle med 57 BT474 TVB-2640 200 nM med 58 BT474 TVB-2640 500 nM med 59 BT474 TVB-2640 5 uM med 60 BT474 TVB-2640 0 nM med 61 BT474 TVB-2640 1 nM med 62 BT474 TVB-2640 20 nM med 63 BT474 TVB-2640 50 nM med 64 BT474 bottle med 65 BT474 TVB-2640 200 nM med 66 BT474 TVB-2640 500 nM med 67 BT474 TVB-2640 5 uM med 68 BT474 TVB-2640 0 nM med 69 BT474 TVB-2640 1 nM med 70 BT474 TVB-2640 20 nM med 71 BT474 TVB-2640 50 nM med 72 BT474 bottle med 73 BT474 TVB-2640 200 nM med 74 BT474 TVB-2640 500 nM med 75 BT474 TVB-2640 5 uM med 76 BT474 TVB-2640 0 nM cells 77 BT474 TVB-2640 1 nM cells 78 BT474 TVB-2640 20 nM cells 79 BT474 TVB-2640 50 nM cells 80 BT474 TVB-2640 200 nM cells 81 BT474 TVB-2640 500 nM cells 82 BT474 TVB-2640 5 uM cells 83 BT474 TVB-2640 0 nM cells 84 BT474 TVB-2640 1 nM cells 85 BT474 TVB-2640 20 nM cells 86 BT474 TVB-2640 50 nM cells 87 BT474 TVB-2640 200 nM cells 88 BT474 TVB-2640 500 nM cells 89 BT474 TVB-2640 5 uM cells 90 BT474 TVB-2640 0 nM cells 91 BT474 TVB-2640 1 nM cells 92 BT474 TVB-2640 20 nM cells 93 BT474 TVB-2640 50 nM cells 94 BT474 TVB-2640 200 nM cells 95 BT474 TVB-2640 500 nM cells 96 BT474 TVB-2640 5 uM cells 97 Blank 98 DMEM/F12 no adds 99 Blank 100 BT474 TVB-3166 0 nM med 101 BT474 TVB-3166 1 nM med 102 BT474 TVB-3166 20 nM med 103 BT474 TVB-3166 50 nM med 104 BT474 bottle med 105 BT474 TVB-3166 200 nM med 106 BT474 TVB-3166 500 nM med 107 BT474 TVB-3166 5 uM med 108 BT474 TVB-3166 0 nM med 109 BT474 TVB-3166 1 nM med 110 BT474 TVB-3166 20 nM med 111 BT474 TVB-3166 50 nM med 112 BT474 bottle med 113 BT474 TVB-3166 200 nM med 114 BT474 TVB-3166 500 nM med 115 BT474 TVB-3166 5 uM med 116 BT474 TVB-3166 0 nM med 117 BT474 TVB-3166 1 nM med 118 BT474 TVB-3166 20 nM med 119 BT474 TVB-3166 50 nM med 120 BT474 bottle med 121 BT474 TVB-3166 200 nM med 122 BT474 TVB-3166 500 nM med 123 BT474 TVB-3166 5 uM med 124 BT474 TVB-3166 0 nM cells 125 BT474 TVB-3166 1 nM cells 126 BT474 TVB-3166 20 nM cells 127 BT474 TVB-3166 50 nM cells 128 BT474 TVB-3166 200 nM cells 129 BT474 TVB-3166 500 nM cells 130 BT474 TVB-3166 5 uM cells 131 BT474 TVB-3166 0 nM cells 132 BT474 TVB-3166 1 nM cells 133 BT474 TVB-3166 20 nM cells 134 BT474 TVB-3166 50 nM cells 135 BT474 TVB-3166 200 nM cells 136 BT474 TVB-3166 500 nM cells 137 BT474 TVB-3166 5 uM cells 138 BT474 TVB-3166 0 nM cells 139 BT474 TVB-3166 1 nM cells 140 BT474 TVB-3166 20 nM cells 141 BT474 TVB-3166 50 nM cells 142 BT474 TVB-3166 200 nM cells 143 BT474 TVB-3166 500 nM cells 144 BT474 TVB-3166 5 uM cells 145 Blank 146 DMEM/F12 no adds 147 Blank Factors Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:20 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:cerulenin | Drug Treatment:50 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:0.5 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:2.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:4.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:6.0 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:20 uM cerulenin Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:cerulenin | Drug Treatment:50 uM cerulenin Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:1 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:20 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:50 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:200 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:500 nM TVB-2640 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-2640 | Drug Treatment:5 uM TVB-2640 Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA Sample source:NA | Sample Type:QC | Drug:NA | Drug Treatment:NA Sample source:NA | Sample Type:Blank | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 Sample source:NA | Sample Type:Medium | Drug:NA | Drug Treatment:NA Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Medium | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:NA | Drug Treatment:Control Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:1 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:20 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:50 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:200 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:500 nM TVB-3166 Sample source:BT-474 Breast cancer cells | Sample Type:Intracellular | Drug:TVB-3166 | Drug Treatment:5 uM TVB-3166 Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA Sample source:NA | Sample Type:QC | Drug:- | Drug Treatment:NA Sample source:NA | Sample Type:Blank | Drug:- | Drug Treatment:NA Formic PARENT 220551.7874 4390742.307 352049.3613 4430081.996 3778638.805 2923008.944 3503320.289 998199.7608 3802052.33 4026393.556 2086008.55 3083908.101 3287437.145 4103627.793 3696111.341 903830.1895 3879584.543 3668770.253 2220895.385 4285102.454 4200285.315 3711053.862 3571780.509 1024409.257 4162155.135 3788899.494 2699696.185 2695807.442 3376269.305 4046612.371 4031747.382 3078538.447 5938512.875 1107495.414 1903628.576 1574902.377 3139912.857 1321372.532 3241868.981 2809576.73 850449.1352 2934581.174 3244570.419 1689539.172 2050980.333 985456.1078 1918292.144 541092.2434 425079.1737 2486361.516 929921.5174 3531525.867 3555565.159 4235784.646 2937815.649 1261952.642 4452139.818 3962793.485 3883270.825 3493391.371 2680440.248 3213392.907 2963825.513 2441671.209 3517960.343 3334815.018 3056035.554 4764315.657 3695709.842 4428120.315 3811415.519 1516990.767 2863525.524 2987444.32 3916205.496 1387664.154 1740444.792 2421750.538 1642282.168 7604214.932 2428732.261 1428962.895 2051753.008 1177430.923 1428456.955 1877346.811 3307649.431 1513205.091 1562253.269 1637515.701 2248493.766 3690366.704 2604998.995 1232569.496 1823439.007 2800199.955 723995.3881 3825975.499 1019930.011 5864875.819 3842487.455 4928486.781 3511523.796 3113839.702 3884615.555 4589877.154 3440251.99 3605457.532 2780419.681 3459500.533 3192490.635 3904879.266 3340865.265 3459394.354 3832685.098 3069397.967 3738510.557 3553248.35 3638018.494 2983870.723 4520514.141 2885434.563 3366958.291 1837884.78 2904174.243 3433570.651 3964076.773 1377215.816 983964.666 1185117.664 2776803.26 3230088.534 2060005.413 2760275.945 2335824.425 2598175.219 2617055.66 3101793.144 1297956.83 1733556.211 2599777.768 2290716.959 1892852.68 1915959.638 1105935.594 5387116.384 1163408.062 Acetic PAR 506326.5789 2478462.787 502189.6896 443253.7414 122543.3377 70441.70756 528900.1994 97938.45879 212151.7903 879421.2705 986522.9097 229371.5288 58779.46316 23994.38357 323222.4214 867963.2923 600619.9595 1156394.298 1224013.849 89492.82301 64205.30649 181709.1133 755144.0654 699056.7667 556932.8103 443434.7257 719913.1085 3203361.535 3758518.151 3480348.593 30977.13865 1481773.484 4034438.43 1042052.604 2812780.189 2990323.38 1483359.155 8104.993935 1547477.408 11009.44665 587529.1938 3391343.353 25158.47646 7943.049886 1262710.69 4273005.224 56460.91445 5278059.385 1351677.103 2368364.898 381899.9552 749311.4961 219572.9271 668419.9923 733614.2348 999605.3834 394959.7596 584898.339 733303.0981 302284.4963 1076498.381 359392.0987 248368.2587 573680.7623 667577.7131 1036768.241 731182.8754 703073.0222 57230.52836 799584.4861 199854.0865 964312.1433 144378.8423 360398.5992 468164.7676 3260650.511 33477.60976 57229.59765 28126.66549 5893954.681 60739.36042 3999674.652 1880707.176 3272503.549 3874266.156 3687360.824 4188932.152 84999.3447 3750747.193 4275227.762 2051160.428 1178468.154 946731.1563 1754192.153 3187107.866 3465764.744 365066.4361 3543977.432 824438.2836 552875.0336 860909.5553 433420.1501 655515.7694 805830.3301 890201.9129 571129.1545 910059.0597 634682.9188 954931.2368 380933.5834 668703.731 1013750.883 113523.1632 344761.9063 791698.4797 675161.4511 463593.2667 239033.8594 286699.9823 1140143.695 975145.2637 623736.6253 755009.6594 2350309.131 7044591.287 47408.10263 2012513.092 3544964.328 4377371.87 26781.31252 1811193.663 2864652.46 3949514.407 4425007.671 2233508.087 51850.96619 4074449.606 127750.0778 24885.86406 52194.82139 1969130.766 181864.7761 5888542.994 456187.3423 3092580.778 1865341.1 1343849.858 Propionic PARENT 9149.193253 69188.16342 10725.49227 47851.6 61652.11627 616086.8301 26183.97501 29804.64507 880457.8494 29376.37717 697060.2352 26746.84371 64329.73602 676265.9428 699790.966 44986.8344 34213.50463 21328.31367 29992.59257 580378.1854 507294.586 612474.4327 34783.66106 70484.22439 90876.62444 864891.3895 72991.08429 1468282.624 1259853.382 1408777.462 1415064.913 1341469.126 1251082.93 5428378.18 775629.9438 1395688.374 1444594.511 1451899.975 1340186.179 1303049.307 10024.0145 1311980.557 1296132.725 1331484.155 1365301.84 1316083.918 1009226.808 46865.78256 38052.91166 47654.79221 24363.52181 758642.5441 737275.6962 51725.77425 32920.9061 684033.6362 30667.88267 4747.675479 64799.63301 54875.79331 36759.49463 34446.98297 40026.5864 48678.51779 66208.74907 37466.63953 757563.6697 71261.99114 700799.5807 744972.145 641725.6087 24414.24269 491054.993 45322.4928 893625.2104 1337439.586 1508331.113 541869.0303 959208.743 1494612.316 1375394.454 1538769.213 1400235.185 1350189.776 1515290.299 1427028.71 1283250.012 1634959.393 1725396.894 1225358.372 1356837.253 1558526.718 1463898.236 1320486.527 1431289.333 1497465.322 35297.88195 23978.53591 12909.58169 33352.1004 855478.3607 686390.0554 42955.63506 54571.32326 733446.1577 669842.3211 752538.0947 36224.33939 753807.1418 30833.43689 45765.26858 689584.0305 681247.2159 45486.39801 591922.7625 752254.0142 757181.8696 802625.6622 33793.16654 30779.07711 635236.7209 571876.9875 10253.03766 1287095.275 1452163.005 783733.6253 1482631.206 1201452.666 1327634.286 1356575.173 610273.9411 1504020.018 1208391.652 1231167.833 1402055.553 1515571.635 1745530.68 1358145.571 1442451.967 1359787.383 1100708.629 107482.1679 1348539.741 1478160.867 28396.78308 112093.1747 3446.421618 Pyruvic 32 45426.96814 4228805.249 53123.62422 1419044.492 1421078.126 1222757.993 1109375.092 11891.145 891003.6883 543902.7135 255123.0242 1525612.857 1307560.678 1109680.125 1034617.964 16080.9265 928879.9294 478840.7166 264534.133 1305136.953 1225565.194 1121848.917 985258.2973 11158.2825 1030510.532 545577.6329 247312.0706 6281145.026 5574578.511 4849349.232 5108685.141 4827796.801 2463070.236 90084.1015 7185246.053 6611110.461 5697038.447 5532769.525 4339922.957 2625555.933 75307.945 6171861.05 5903765.901 4732167.123 4864734.563 4595488.829 1929881.837 93403.13895 74560.278 4355777.874 72491.624 1543157.788 1559941.408 1236551.03 1175645.851 13090.98 740985.2099 612344.6744 502742.7892 1345480.568 1484248.733 1178057.177 1035581.333 11975.5825 680022.9877 584574.8786 510140.006 1400536.73 1467401.178 1257655.134 1088340.491 12062.7475 736521.6015 569480.7533 454413.6427 7097473.985 7820742.749 5718182.278 5480170.38 2697497.218 2985409.635 3263862.593 7018824.77 7065795.952 5674616.947 4595915.937 3424392.708 3059534.998 3256886.06 5950131.17 7427835.799 6139197.298 4840954.433 2649587.188 2892622.02 3061534.816 82858.563 4613148.687 73863.44638 1566262.022 1547046.363 1358453.404 1168953.148 14115.53493 755073.5342 651389.9135 517756.1491 1458705.56 1476216.675 1352659.557 1115301.315 13210.25263 727126.9584 647067.7749 476663.8726 1459465.377 1454152.233 1445252.17 1278824.287 12538.07659 734604.5831 580451.4937 482906.8561 6269604.361 4421283.136 6041639.865 5740682.788 2587036.881 2509277.981 2629826.73 6327815.581 6473577.631 4976559.684 4592747.531 3013745.558 3112985.767 2831647.306 6034425.391 5889724.25 5823002.347 4374667.788 2668024.064 2447198.316 2694908.423 75570.4665 4426952.74 73254.297 Alanine NEG PAR 10687.66486 1262294.168 5061.285161 2545065.177 2669088.585 2375073.219 2155513.623 540492.498 2050695.883 1856620.685 1304285.021 2604610.125 2459783.157 2295055.793 2232266.242 414435.951 2181573.504 1763063.65 1262065.186 2389743.012 2302689.266 2318829.146 2136253.564 458158.9768 2219603.706 1820636.912 1314328.943 27243164.49 24041681 24939721.39 24075636.22 24029449.86 14778177.42 21398.65489 31064446.09 28342608.27 27546193.9 25552323.05 21223257.84 14049020.51 80490.14148 25827499.17 26243486.27 24930898.99 22943700.55 23526058.78 9933605.647 96284.82985 2776.897904 1232960.572 2057.871566 2716112.75 2668613.716 2469250.811 2438795.701 476579.2612 2021295.443 1837488.441 1647593.363 2559120.754 2483066.19 2348013.253 2303257.365 486627.8975 1854434.252 1845043.6 1664053.174 2566104.99 2653960.393 2473633.379 2262228.365 455346.3832 1920572.429 1694600.225 1603653.256 27476259.98 30117602.72 26724189.7 26565741.46 20534697.13 20293120.27 19509932.94 28483238.35 27561918.54 24947679.12 23461955.51 20964587.26 20556405.99 20350795.46 23605463.76 29866317.4 27890500.26 23677656.06 18479363.44 19968841.88 18978143.3 5942.762717 1311895.879 3169.63317 2794748.059 2630869.42 2560452.989 2479759.55 534602.0386 1997097.025 1981411.796 2014854.499 2792131.583 2678633.629 2464294.9 2336008.307 487322.3128 1971257.611 1805388.125 2018185.848 2678127.158 2652285.977 2685730.165 2546508.564 478842.7995 2021458.114 1781188.098 2011268.508 27039634.31 29675905.77 28519663.09 27418226.42 19412546.06 18660141.78 18041222.86 28186529.97 31593011.5 24059835.71 24364705.14 22226805.87 20285196.05 22872073.05 28741030.32 29186484.71 26324444.02 22437070.82 18814380.64 17421060.35 18859016.29 3013.36786 1286721.375 4760.244125 Butyric PAR 78132.42732 2715378.128 333670.9551 133561.7381 132721.7209 115441.8368 107818.7043 79982.46699 117649.7454 98559.49523 96459.64525 117428.1487 130348.3644 109721.0902 109861.9086 61809.19577 131360.8417 98505.83242 117734.4017 125659.4467 132311.7054 115731.8526 127815.5455 75143.7826 117460.0327 94306.68638 95592.63126 7743317.488 6331291.497 6325599.066 6313764.817 6448472.947 48316.6851 164768.0619 7829543.114 7061656.79 6860006.811 6627250.647 5759228.389 6005683.446 211915.9719 85162.81954 61212.25483 6740753.016 68016.97222 6398320.769 5044538.42 93834.72809 62802.92998 156696.0313 462545.1974 142026.873 139446.828 104980.6126 121685.9981 92786.65296 116363.1247 97113.56862 121905.6881 149054.543 140200.2122 117845.1393 115088.7247 99373.49125 109649.0615 120466.83 113235.7629 127084.8613 116100.2745 119930.5496 97306.30577 63555.68986 108367.3931 100570.1357 98050.38836 7478888.402 8419555.91 6875921.63 6658489.901 4608594.144 63572.50461 5397236.265 7653322.557 7745964.618 6790716.263 5946245.143 4914935.967 5200296.387 5677974.78 6614148.209 8001445.408 7073714.564 6136146.459 4656477.388 132503.2751 5076845.952 80297.16599 176942.2745 207170.6876 124230.713 144145.1047 116549.2088 119166.8733 93729.58122 104192.872 80863.94285 90279.89169 93027.48458 110957.3577 153566.7225 98516.57106 73691.52548 129307.0472 98419.43346 106770.4156 115906.2969 1036281.261 127938.9723 113400.5344 79975.77307 120419.7395 80637.37167 385101.5145 6832450.771 6495923.556 6944585.93 6773792.243 4769448.179 4793759.45 4649209.668 7041674.19 7472362.683 6257942.427 5822513.5 5053290.691 4980422.861 5323444.894 6957599.519 6958043.376 6684265.971 5470500.72 4485051.784 4474104.942 4657195.318 374936.9843 168825.4889 393004.4851 Lactic 87 3064.041313 1589.924282 2404.461059 1963028.851 2041053.243 1793145.799 1669399.691 16661.0953 1451078.44 1462137.086 585770.7021 2088159.323 1822128.243 1622886.988 1513614.192 31111.01653 1572585.429 1477372.355 576343.8447 1812459.024 1752491.042 1701175.807 1613052.111 33639.79312 1610142.485 1234995.827 618853.0899 3201128.598 2646207.963 2332713.12 2743130.873 2529389.434 1903138.109 39830.26257 3376261.007 3084433.325 2534252.733 2644896.7 2174336.316 1843440.429 24678.55603 2762630.008 2637347.193 2263192.386 2371299.39 2374778.078 1977209.86 42614.57041 5765.903325 786.6768148 4609.61848 2247455.256 2030292.182 1874293.959 1862474.503 33479.12146 1550352.524 1481479.044 1595351.545 1925487.065 2009694.025 1797069.745 1738738.82 30216.03517 1422502.678 1423884.742 1485013.861 1947967.464 1975935.5 1849627.952 1712587.958 29760.75609 1398338.069 1319826.466 1407156.64 3210546.527 2981783.7 2574002.745 2681217.15 2777234.196 2405954.294 3636542.685 2873343.317 2886690.217 2726920.452 2217791.448 2196930.095 2635295.259 3772433.894 2505318.287 2999710.906 2876347.797 2410997.891 1903634.154 2589573.784 3499192.189 2961.990491 1665.245906 4601.565271 2243882.971 2148327.801 1919859.609 1830123.254 33146.77496 1564998.52 1621513.307 1959270.789 2028097.917 2074004.3 1816177.769 1677956.331 35436.78469 1483931.837 1523746.294 1804850.258 2006563.305 1999657.848 2089020.797 1951337.126 34612.97625 1458500.898 1407063.534 1759317.593 2666482.603 2885302.008 2626482.361 2977794.588 1918609.535 2300683.46 3254407.573 2715830.705 2914113.701 2535506.641 2334754.215 2207409.597 2747493.978 4005115.311 2823872.017 2600683.229 2661953.972 2176269.971 1925333.139 2203043.704 3271102.165 3872.387955 886.7120199 4404.843407 Lactic 71 2943538.418 3069913.926 2739990.191 2437689.186 19307.98329 2281168.627 2175139.778 895141.5053 3158945.143 2761045.046 2507154.413 2319530.535 27549.0369 2385992.672 2209226.655 824075.9909 2820390.695 2696892.608 2501882.654 2395879.517 32498.57095 2455612.059 1879929.964 886631.8247 4909987.375 3895675.683 3759940.972 4120165.512 3908330.217 2878153.044 2230.418463 5296180.073 4679434.618 3834537.666 3794754.52 3272165.267 2844353.618 19434.93475 4228642.33 3857188.573 3564920.091 3806364.971 3497437.873 3112864.045 26818.19447 3442823.695 3171547.267 2768206.101 2835772.338 16999.95125 2324082.73 2202763.177 2403908.819 2947194.584 3035948.475 2699177.393 2637930.089 2140283.983 2166967.663 2211650.349 2927381.882 3053477.981 2822848.043 2599971.942 15380.82853 2183370.296 1983735.436 2094624.949 5005472.7 4616649.885 3946578.111 4169337.881 4150178.848 3621199.769 5605461.011 4603422.658 4341467.605 4279973.768 3425560.781 3337537.734 3970917.074 5783272.42 3881520.954 4597805.267 4407004.154 3687006.484 2867809.941 3941884.362 5283599.375 3389759.598 3336416.155 2887009.241 2785025.779 4875.741115 2352741.688 2445662.644 3051413.042 3093270.766 3114066.193 2761393.156 2620517.17 12749.63475 2264957.989 2272021.026 2751820.46 3073302.761 2990429.549 3158799.47 3074400.2 11812.74943 2181575.928 2070773.03 2688322.086 4218676.42 4520748.941 4175905.966 4530009.868 2796007.123 3532535.415 4945515.422 4223547.94 4703717.699 3968875.273 3485152.437 3344484.645 4122045.944 6198269.46 4350204.376 4130384.729 3939939.629 3309576.7 2836442.39 3294405.293 5067588.05 Malonic 59 26034.29455 25971.15736 30126.28456 39850.6407 54761.75209 20944.50686 28152.24444 61017.28791 49159.94544 56416.99946 30636.35625 27067.67449 28922.59405 20031.21412 65278.29591 80075.49993 56734.71641 58466.76169 82012.64561 28219.65359 40418.6656 38693.63833 26570.81612 45202.52856 28895.51371 31981.12993 38040.66156 32100.00354 65696.39641 54498.6967 40480.64143 58256.85279 145526.0422 19972.84708 57532.61707 52124.81759 59773.01142 79584.12348 54195.37636 191125.0667 49755.01412 52451.68034 98956.59435 30949.1477 62955.97413 116129.2738 123327.1242 33375.70324 22647.11804 74398.55513 28487.70593 18333.29512 42048.16718 48303.63579 60922.83001 56368.2567 66470.48586 294397.6082 1902471.672 24216.1309 65550.31871 39247.28316 102400.3486 127329.8817 96630.08768 336831.1643 1671393.357 41962.45771 35724.50059 35148.94389 46695.78923 33663.18281 85515.60147 306534.4288 1648085.259 47516.76698 82079.48692 76229.8193 53934.31439 2103381.02 19011561.28 78983749.28 35510.74125 76569.24374 105968.5496 45443.52047 2004353.943 20128280.13 82842896.5 77040.90182 46813.37365 45607.79911 47094.15511 2196073.207 21185191.5 80159497.46 6153.319655 39655.29277 45702.9431 49857.40403 23612.38774 42184.79 46628.76096 61304.63247 69765.26569 271580.6386 1358910.226 32693.9432 52840.0283 56270.63529 37166.99396 78752.43695 64997.66145 272454.1158 1147261.189 37362.5698 47557.58642 31483.31815 28396.35066 61074.70185 75316.97964 249351.6456 1054301.96 65331.55554 281426.2547 42907.05604 46884.31664 2424130.595 17534130.57 57554248.54 54889.76976 52861.64637 96547.03248 96231.13797 2494253.806 18947072.73 69207005.52 105513.7402 71780.60374 64948.5449 74249.82713 2328463.95 16006242.35 56655462.57 43549.71232 21547.55589 106552.9153 Fumaric 71 51204.01267 35318.88077 22272.92757 175037.2526 157406.7068 126899.0827 186318.2222 56505.55497 141692.9264 151205.5168 508239.9578 176953.9095 199021.0969 144799.5026 162952.5586 62919.7212 178088.624 185702.8474 436256.7157 165814.8555 156579.6851 176554.1672 164656.0274 51150.47027 195596.689 142290.6511 522365.321 11648370.88 10172996.49 11137886.87 11240816.14 10703200.8 8873385.972 58637.39555 11542158.91 10422317.48 11871513.57 10501372.04 9289190.679 8561114.161 47509.97706 10840709.68 10912913.33 11332346.23 10259266.85 10516792.82 5068980.897 60569.39061 21526.36664 22381.8926 15360.34189 257106.0848 227873.6021 214439.1355 305552.7096 82973.96058 182752.9535 196670.6518 191575.7655 207910.3112 177194.2294 203970.7577 175281.1932 98250.7714 169773.841 167999.0414 214474.1951 206781.5608 200757.1859 169498.31 153392.6703 87053.45208 150179.6025 174354.3856 169085.9044 11635612.33 13018806.86 11413540.3 11274981.49 10001047.07 11389996.65 10366700.36 10806630.48 10996525.59 11323385.99 10220819.7 9737971.733 11097458.2 10216532.7 9764075.547 11682664.37 12136161.13 10474208.29 9966709.489 10156921.12 9832327.417 20001.15449 28992.57669 32088.79477 254949.3376 212872.4558 168770.3794 211226.8667 70194.53309 187130.7489 203334.5528 187776.7581 230149.1723 228359.2886 160558.8612 202963.4608 101352.8853 198957.7266 157097.289 200133.7599 207884.7678 230293.9065 203045.5416 200348.6847 112237.2676 189332.7266 134143.6986 164343.5328 10662284.57 11579414.96 11159609.16 10574586.56 9045284.874 9367543.42 7894262.706 10951155.31 11044455.2 8673112.233 9868649.19 10010947.38 9587289.629 10077238.91 10697267.83 11404283.71 10858808.55 8353074.428 8436744.976 8782066.36 8798944.042 13419.49117 57572.99108 24668.81675 Succinic 73 36359.54865 52958.8626 46179.72048 343036.1579 326906.8362 348423.0692 335433.8265 195185.0054 348426.1129 372382.836 372485.689 359560.0948 322902.2936 343969.4806 368594.7671 204701.1129 386041.5681 408325.2146 317837.7155 306344.9443 313399.0838 395973.4797 316111.3099 195289.9856 353481.6793 322451.2402 352984.184 6235575.858 5895559.378 6060990.726 5521904.994 5278145.39 6648380.985 30396.46874 7412224.126 6881806.407 6389499.585 5586642.907 5383112.088 6904708.316 19628.01542 6203654.801 6436855.788 5752139.657 5293802.763 5470580.713 5438530.718 27814.3456 35916.17315 146992.6235 30353.78731 309839.5389 321659.3764 320390.0472 351574.8537 250575.9449 358116.1241 488019.5473 1093823.27 316850.0964 345551.4443 353855.9841 283352.858 215362.1936 333286.1697 477999.7151 1014122.392 315609.2753 325326.8976 323948.3448 295028.674 209715.1552 353506.0958 422300.8814 990297.0839 6015087.881 5783365.805 4677486.006 4627554.012 7708936.233 27155626.53 85073917.18 5687547.254 5569963.185 4390553.6 4309238.88 7181562.968 28501021.31 89580220.42 5522374.298 5385102.425 4696192.242 4188442.023 7739795.564 29350508.67 86324227.96 24892.79096 164146.2745 27916.23643 332699.5086 337458.53 331594.4587 379547.3856 302739.1452 381186.3948 453468.1785 812308.5443 358575.389 349267.1646 324211.7481 346241.3002 283686.7979 380628.3922 433107.6381 708451.1235 332826.0778 363710.5859 302975.4222 369304.4281 245452.7597 365307.63 405709.688 751391.4113 8333372.893 8330267.566 6836276.287 7373271.979 11308739.63 26936593.79 58041379.76 8159230.65 8265971.264 8119937.82 6864164.727 11443814.6 28462295.92 68881223.32 8451216.57 7173359.026 7486724.438 7362932.979 10862334.76 25510733.59 58310305.02 21283.90068 149807.2476 74963.18315 Succinic 99 14275.7069 13138.85759 13448.63105 47826.00633 57303.77754 45467.51838 47116.60013 18585.6811 45851.53817 41733.12382 49273.96539 52417.8543 41613.13711 47699.47066 52143.75623 20591.10234 38634.96834 49831.33116 45896.41515 50990.70537 37328.02483 42412.20298 39843.64646 20111.4328 45200.66015 39658.19888 60660.95854 763633.943 684492.3531 711275.9721 634721.4129 620680.4969 787943.3066 8870.827391 890436.3426 798376.7743 788793.2429 652733.0538 617792.6647 786580.7617 8348.767017 737712.4492 751294.9125 685616.0938 637746.8735 651359.8571 626897.8206 12232.36373 2929.44999 24053.75411 5422.650788 39544.57289 53616.66108 46294.78318 41880.94673 38326.62754 46915.70661 60120.47949 134270.2119 40635.92158 42915.53826 37151.04283 34389.44038 43491.03118 45374.87306 59264.42342 129105.9666 39085.56679 39719.54798 46125.45775 51330.66538 31651.94983 48214.22134 65195.44086 123833.9986 687486.9886 669494.7359 555003.7766 564727.9221 886393.0794 3188584.393 11702519.58 662676.04 648922.8942 509056.8696 494567.0966 834857.8005 3358313.7 12618841.12 660106.6937 645718.7364 546584.7557 505880.6455 899236.6239 3525835.039 11945541.21 5062.118617 26359.77667 5178.043715 42598.34229 39226.84251 43782.44695 54676.89516 31684.90556 46664.48848 72836.4596 100628.2565 52861.55304 42843.6165 34813.44381 42240.5646 45638.5972 51591.8894 57561.96471 87585.37766 51012.83666 42939.20474 40442.66152 43841.14461 30069.61348 46072.00715 53296.13203 84041.48176 1005734.376 957092.7996 791055.8168 845396.805 1343985.496 3087978.73 7247546.258 932803.9253 988352.0116 940112.8936 818509.513 1330105.013 3375591.002 9042817.893 986947.5769 875536.2415 874754.583 868997.5759 1230193.021 3055969.939 7407773.416 7815.767047 30522.59318 14130.89379 Cysteine PARENT 7261.64068 88808.83737 8580.534363 20788.30583 4030.953647 63716.88136 11628.62493 54304.89905 5112.052121 16887.61102 7579.987242 58205.52617 63608.01974 4501.260767 69295.09403 888.6487129 8203.827656 40398.82461 49457.35769 95004.43334 66662.47954 68915.1839 76172.76837 71286.77198 58216.36974 70613.25886 80348.62318 965703.8758 967117.4535 912688.845 1602603.3 938783.2361 1698113.955 1214714.952 3303458.404 1511453.474 3122486.115 3004869.757 3062328.01 6262.879607 1125675.777 1206236.613 783086.43 2771876.935 2831698.919 2336959.304 14077.89066 22486.20889 101814.5293 7193.449348 101456.4514 95263.48708 85987.73539 124851.7842 113220.6001 3211.546436 100457.1155 79251.55456 94611.93849 82878.47824 98613.24635 65388.08973 4048.393516 44917.4636 88307.72801 96235.19717 72408.87081 72303.20153 91920.1423 76277.10273 75841.22522 67730.73925 86082.32125 79355.09517 2690939.101 1402814.952 1163273.384 4629262.512 2088632.276 5350565.55 2637808.212 3253603.168 2754161.5 3108820.482 4336529.749 4823905.319 5533805.3 1414488.418 1561194.727 1204550.47 2622804.847 4698136.459 3322718.106 5589667.52 1308255.383 4495.979423 154814.4422 20263.22923 154926.1594 140803.2715 104790.2321 71357.24358 130219.0846 2799.510469 177442.4939 77176.03998 132202.7675 95509.16769 8476.093871 96542.02171 97289.02043 8040.902484 7147.568162 95032.47414 5015.178604 65659.88884 10776.52761 5369.399513 66221.5217 88020.51493 65900.07135 13162.02523 4139885.646 170166.9073 4804441.692 4609069.645 3766975.898 3600860.559 3407367.597 4790175.72 5506235.552 4673733.283 3813158.208 5533015.71 4822242.441 5663919.637 4238758.909 4255487.557 4767726.253 4495852.021 4891693.301 4649385.788 4090895.186 26305.00247 134021.6379 37207.33357 Taurine 80 23278.74422 379419.6512 27884.53901 430201.1207 601577.7626 328678.9691 317746.2002 535272.725 351699.152 611788.3917 755288.5863 256699.3226 245005.59 288922.6797 302434.0111 526338.8901 381417.7941 510591.7563 1087097.56 390649.4825 548143.5439 283172.3452 502903.2549 451622.2118 265140.9984 322112.1172 843215.4505 16227122.51 14959696.06 15441161.17 15277614.2 15622162.82 14626811.66 36861.18154 16381185.32 14978362.31 16306129.57 14712085.23 14508991.72 13315174.47 676511.1556 15235910.5 15201395.28 15699487.6 14364756.1 14363795.35 11634602.16 81774.90736 16334.78195 403743.7693 34632.92726 281847.7645 474898.194 398746.3501 285886.0234 559130.68 1006993.164 403944.2468 296823.2236 340315.6857 275505.5103 292497.8163 357547.8806 542445.4579 542634.5567 310337.9279 369679.6681 397526.1117 423503.3999 475468.048 435844.6483 569920.5906 439428.4007 326356.8633 620938.2871 84617736.89 14382953.65 14795654.33 13755822.12 14261883.15 14573105.93 60764466.04 14137438.77 14136559.14 12774624.26 13785378.63 13299631.82 14668808 15147208.95 14133586.96 15299875.88 15468042.18 13878422.3 12877252 14776484.63 14003732.95 28723.5826 555435.6641 21196.98174 500898.1759 382455.3736 461701.8377 531178.6557 608359.6359 562488.5568 527395.9843 386418.3208 441213.99 442361.0048 418683.3356 338615.8475 584382.6541 424894.4703 448406.6746 436566.4812 286458.7833 300215.3181 420977.6958 452538.5136 501000.9434 284779.8758 475337.3596 296755.6256 15160298.41 15048354.45 14351759.66 14319351.52 14077796.49 13922884.12 12695448.98 13952649.42 15033457.03 14072075.55 13758490.25 14374538.42 14368217.64 14930860.18 15493544.76 14341021.62 14103934.41 13751632.63 13574742.74 14148249.94 12944110.1 21525.18343 327225.4819 14497.86151 Oxaloacetic 87 2662.285338 82.70944231 596.0683877 10620.95074 10683.43812 20234.08358 9637.245343 2132.817383 4913.820806 13118.57373 3603.286588 13081.44489 8370.636376 28536.53695 6809.651383 2225.682381 11932.96871 5868.101993 6180.532164 9250.813799 6305.35849 9234.199588 24071.46181 1700.263614 4452.274928 7256.415339 7701.52278 306725.5758 213547.1979 135922.0135 373658.6954 62556.39294 17257.29863 1452.759056 288132.9174 318592.957 294268.1372 375392.8421 349575.5949 280336.0061 1837.106161 136707.7078 247325.9112 127883.2616 340584.0362 328376.8095 167054.357 5558.072827 2805.808701 1562.534712 685.0318827 5176.878904 4360.26837 4415.401932 2051.248789 2098.505575 2514.570631 7365.602171 3411.589475 3291.307095 7086.660152 7448.118123 3047.326103 2342.617003 6651.371325 3428.367586 2054.9452 5538.298144 2369.896048 3474.334368 971.7985977 4256.249354 862.8184319 5342.215201 618.7468411 315747.5158 179675.8205 322237.536 345533.8437 198664.6069 332494.3731 251606.2489 367625.1374 348088.8263 319942.6777 320220.577 171045.1918 337091.3827 261387.0583 190654.0338 165749.7642 319866.0823 303520.087 249376.2368 344108.5653 244878.6088 2761.426582 1555.321853 1872.955848 5433.386804 548.6561139 6875.998552 11113.60439 1434.815182 14208.65183 8725.759438 5241.243066 6119.659597 3236.281021 3125.431423 2367.663192 486.9141749 3177.881752 853.5446657 4561.078638 2250.540713 3113.837181 6466.037675 3807.533667 3443.753032 1784.63005 3035.267281 1276.7662 238378.8191 354428.7727 344302.2938 312163.9835 249664.6346 190766.747 146695.0582 194983.0381 332863.3585 277092.1944 281925.1138 159623.352 156599.2045 140733.2871 330225.7272 366967.0228 347939.6545 237991.7414 167019.3095 205277.2695 157950.9543 293.1697914 723.8500606 1020.641109 Asparagine 113 2706.649068 1872958.209 3778.918587 8629693.97 8508917.524 7993308.791 7807343.849 9671222.24 8209694.3 8157169.12 8929391.206 7910178.75 7884292.788 8171356.891 7875128.566 9407843.336 7982526.35 8931471.939 8728648.008 8035751.896 7950435.532 8144362.98 8091808.266 9604537.629 8048179.781 8338471.664 8941062.803 32081333.01 30482827.09 33273709.85 30266845.24 34555251.92 26454661.63 106005.3343 34677995.58 30164023.88 31779001.31 30063546.73 27383446.56 19305428.43 139980.5001 31664727.41 32396721.84 32976199.69 27306871.42 27828074.13 12955211.12 150021.3039 4358.189682 1824782.603 4584.959023 8270488.865 8341744.133 8562394.613 8362038.234 9459417.695 8270435.554 8168444.315 8369368.329 8698527.848 8252340.749 8106803.188 8174903.348 10240695.93 8282641.373 8179701.342 8171680.687 7991736.407 8332043.444 8167788.439 7998073.533 9763551.258 8075923.806 8153528.362 8338621.475 27125585.33 28231694.27 29669139.6 25674388.7 29590294.76 27031645.68 32382749.79 24939145.36 25746872.25 24294497.75 23024824.06 22694044.17 26474735.15 34937452.1 28761573.58 33618325.28 31513014.71 22173596.55 22305930.72 25604503.9 32571706 3687.303976 2052944.787 5571.954171 8358959.651 8191090.591 8061553.419 8517913.987 9791601.589 8250544.456 8602884.759 8482511.304 8472215.015 8309942.49 8796638.08 8433527.039 9984956.731 8319204.591 8319707.627 8419256.676 8332750.877 8388894.078 8309677.096 8333606.163 10045122.38 8451252.494 8254032.716 8375838.308 24441230.33 26340958.52 24858677.83 25902372.2 24441237.22 25561268.59 22675622.09 24325624.78 26869346.6 23059145.89 23558640.54 26350715.74 26152812.65 25821649.62 25850817.13 24762113.87 24277199.34 21386746.16 23419055.4 23181532.51 22166709.67 4094.734357 1891922.569 1869.157722 Aspartic 88 13412.12832 13540361.06 6238.797866 39927579.65 38608470.36 40466103.46 36972955.37 40157502.43 39993625.27 38231164.73 39376358.39 38108243.93 36307803.16 38370669.31 37206359.94 37435461.42 36988432.79 41271635.55 38746588.92 35467461.99 36008383.31 36633825.65 37645875.28 39105568.35 38414509.49 38787715.99 41390200.65 101549148.7 99071351.48 101225015.5 107777438 101643606.7 82854869.72 697977.6735 109904166.6 108540206.7 111227815.8 110077119.8 108239674.6 84900401.23 722803.5442 96771677.95 101011508.4 98151809.34 106523995.6 106695192.2 65594587.42 1015114.85 5227.917783 14067634.82 8685.196056 40303345.58 40039507.57 39077022.61 40451893.91 39170676.31 40593823.91 39963792.78 38816541.85 40281604.02 37179148.93 40307235.35 41378919.01 41866857.13 39225674.52 39840606.55 39363350.22 38770639.94 38527507.23 39433797.16 37833161.69 40951163.4 39974320.86 38969721.69 39858230.87 106613542.1 111385092.6 107965196.5 112578089.4 102336754.5 113177014.9 100119399.6 112092101.2 107840083.4 108459437.4 109703099 109931175.7 112942129.2 105053257.8 93746553.6 105410283 110127695.7 110893204.5 106140874.4 115212396.4 100137702.1 5123.740563 13655205.53 18444.65311 41035197.34 40767212.25 39634800.18 40651767.16 39811116.03 40987319.53 43056399.38 41665485.69 40044243.04 41874328.5 40599338.39 40933178.8 44636328.37 39712586.96 41880258.79 38881455.56 40209615.43 41056263.14 39402636.2 40704286.57 43155268.66 41434646.88 41084423.54 38933412.25 110391317.2 111007200.8 114547136 112992422.8 102095431.5 101497428.6 95479829.18 109353916.8 119376214.2 111017511 105593894.2 112358672.6 109810926 108584412.9 113956240.2 111531097.4 112638135.7 107324524 106670708 101446406.4 98224095.42 12021.00671 15746555.23 12976.91115 Aspartic 115 1875.368988 3099635.81 1131.186351 10579054.8 9920736.666 9755372.856 9456362.909 10334889.02 9726062.677 10578004.41 10480071.84 9456255.555 8882352.837 9291290.541 9098212.073 10069462.87 9583286.767 10185520.75 9899117.562 9252553.954 8787922.72 9368517.768 9691414.372 9945733.112 9771985.319 9823943.902 10290386.47 30147092.23 28019518.23 30030258.01 32801419.83 30069855.99 22830993.05 172076.6829 32986357.42 33709309.41 33761013.93 33300840.59 32036968.03 24075530.62 180162.9573 28069396.2 30215393.13 29106669.55 30981671.48 32244372.51 17367130.93 237811.7501 2594.136437 3105488.526 1271.506004 10406348.72 10594887.52 9992808.013 9765849.21 10169489.55 10385720.43 9891377.725 9945970.827 10342123.75 9720358.725 9991956.393 10246875.31 11120778.33 10117408.95 10004981.97 10382994.1 9585948.581 9684188.013 9924926.465 9784960.992 10130159.84 9544222.731 10237228.41 10094632.72 32630457.43 33780955.06 32906401.3 33961563.14 30456066.9 35007261.55 30859367.13 33394924.78 32927653.33 33381163.26 32693275.93 32874389.71 34784119.08 30976676.65 26846241.89 31625012.09 33952183.16 33337153.68 31028414.13 35460832.58 29555324.74 3853.415913 3279617.258 2676.321326 10573013.22 10537134.8 9881979.405 10329643.77 10603995.55 10422509.47 10552383.68 10180711.15 10233860.44 10390264.87 10179022.69 10543370.51 10979880.15 10398214.69 10326379.13 9742844.755 10441114.26 10509290.07 10390511.58 10131564.3 11094074.42 10183007.01 10119570.19 10157318.68 33305633.74 34823865.41 34934529.07 34193526.22 30420245.27 30191465.7 27735032.1 34371633.2 37573042.23 33719369.86 30989534.24 33875344.6 32271789.51 32134445.04 34378466.37 34673819.65 34153805.95 32160133.54 31719213.51 29730392.75 28461533.46 1992.270282 3379922.469 3548.563158 Malic 115 71496.30809 112312.0507 66158.29141 2002169.891 2139228.332 2100976.07 2018909.979 636493.7869 2020186.845 2157584.876 6704732.062 2494456.009 2233920.153 1886376.685 1807253.197 974423.815 2189176.633 2670562.175 6141022.407 1970492.512 2152147.401 2205496.014 2067324.763 868857.8471 2272539.309 2048223.065 6642302.16 114555795.4 104842380 114558898.1 112632021.7 109483089.6 91953667.04 595889.2774 113254294.6 108327664.5 115401455.9 108837166.5 97216057.55 89642015.02 545769.6393 107748964.6 109601446.5 112675467.7 103544323 108048503.9 59857095.16 656356.1794 76434.80226 182994.623 126067.0378 2779522.631 2573693.513 2504078.088 4064322.218 725112.5582 2330966.446 2464728.015 2213350.198 2317874.309 2482481.99 2437037.944 2485668.567 1082685.449 2289697 2243276.551 2128709.416 2335586.973 2437389.23 2380215.822 2169794.351 821622.761 2347204.634 2282299.842 2164274.255 113806676.8 122973047.4 112374200.1 111131800.4 100308482.9 109230481.9 103242306.2 106254948.2 107009167.5 109283189.6 101583360.6 99018430.15 107598321.6 105285121.4 99418411 113656123.2 115454946.3 104635578.4 101120868.7 104165605.5 100446856.5 174767.1491 141670.1912 121188.4819 3109156.58 2956518.316 2733952.22 2568379.368 807731.5631 2532301.244 2605039.173 2576032.49 2717519.156 2529063.26 2483463.393 2553918.922 1075626.314 2585993.151 2223991.34 2357581.185 2584395.917 2653016.433 2643596.46 2577144.908 803897.7343 2364077.314 2239160.577 2337660.81 106201908.7 113165334.1 109250516.8 105850437.3 94656802.44 96502663.92 83760014.27 105486039.3 109890198.8 91278383.58 99778258.7 102196833.1 96908496.66 101679393 108915926.7 110602840.4 107103979.3 90404364.53 90035290.11 88623121.35 89842238.12 146523.1821 195993.1119 102120.6399 Malic 71 32308.84732 47416.81495 32457.06146 814013.1912 890883.5504 862662.7744 743304.8571 289136.9171 735214.8537 796899.0349 2409012.933 830001.6265 718282.6256 740227.1236 714715.1487 354590.6261 847392.5162 886123.6607 2306927.351 827189.4942 846537.5021 803013.6933 790572.7126 311153.601 844073.3334 699993.2959 2433868.396 49950716.64 43293418.88 49133958.03 47200150.88 46881233.73 38610281.51 185298.2194 48974508.38 45155593.65 49403297.3 45947525 40379619.34 36635406.15 196610.8371 46068203.57 46305257.34 49095336.66 44222856.23 44563089.37 23032068.42 241479.9299 37309.48719 84498.0713 43770.15857 1026176.959 1030964.689 938405.9421 1454495.733 271617.1526 905942.453 875260.5473 898413.8531 894191.6427 897314.2035 938565.222 851269.8497 393669.0505 856958.2341 834570.2233 787240.9954 861700.5501 951889.8094 849716.6776 795830.9886 275479.0022 872286.5793 785812.8997 768175.0864 49163490.45 54685321.87 48580114.03 47990442.04 41468872.28 46205470.79 43110640.92 44947047.71 45987052.61 46131683.75 42072032.91 40892758.5 45962955.73 43709222.84 41346456.69 49179818.57 49716022.83 44354969.38 40945129.31 43084863.56 42230179.7 44498.60679 34594.90904 25245.2623 1182691.941 1103019.939 986052.2014 989172.1716 294191.4185 937478.4036 927236.8316 1008852.909 996471.2691 896957.8628 893090.0149 843241.8919 433145.4459 876160.0336 896107.6376 935968.6924 931730.1585 933940.5934 1005607.176 1017445.636 332734.378 834588.6149 834208.7083 882180.8145 45196969.65 48036123.82 46313983.68 45922860.84 38914045.04 39780236.84 33649530.36 44936016.25 46929393.18 37470032.08 41385446.92 42134772.65 40106683.23 41932724.63 46111782.51 46571102.14 45429540.12 36632565.92 36618621.57 36397654.01 36402490.94 65123.79671 109287.4274 52906.85266 Ketoglutaric 101 53368.14386 40108.59623 37401.31239 1006459.529 1236712.086 1039386.477 1118596.46 176480.3418 986962.0456 1033109.357 562420.8764 1326943.647 948094.1775 1131586.033 1064620.892 189055.7289 1023532.186 931164.1719 473318.7661 1004925.212 1116782.856 995190.7218 1277651.471 133421.3231 1114211.712 1092438.735 396750.2268 16408966.19 13463506.39 15130951.95 15804923.92 15355715.39 13614301.1 100021.8624 15775977.11 13880829.1 15456609.65 14758159.45 13870427.62 13607450.24 175781.8105 16509453.61 15215470.69 15942618.73 15462577.07 16169061.91 10281589.06 206172.1885 55713.50494 139133.5803 17310.5933 1132415.127 955186.2869 1136168.858 1027761.352 146631.7516 988686.178 1051064.943 1180128.509 1043222.818 1102727.307 1145707.589 1003368.848 197174.1349 1119594.191 1029104.98 1235300.34 1101773.932 1124780.867 1091040.73 927172.2938 132911.2646 1313321.055 902106.5956 975728.1987 14868502.69 17632190.92 15436297.92 14514330.11 12580859.86 15401229.73 13944445.07 14126043.42 14626216.65 15406327.21 13289939.47 10784270.72 16175244.58 14804733.1 14887260.55 16403738.4 15910845.75 14515068.87 15017259.26 15768346.12 15187156.85 76478.71183 764416.9206 38611.2825 1011091.995 1215939.624 1101159.33 1192244.113 350256.1078 1214632.018 1143512.985 1194924.001 1159659.027 1132273.671 1132879.801 1085624.633 304451.6104 972343.8012 1062007.647 1214752.966 1504743.049 1070063.054 1087806.36 1269053.156 223981.7395 1095259.941 1056650.74 910615.0837 12115282.59 14099605.2 13307003.83 13532766.94 14793977.63 14396341.54 12031965.27 9133682.999 12676691.23 11842420.73 14808211.38 12972583.94 12989406.06 11940779.16 15607503.43 16235897.92 15115794.05 12006631.76 12032059.69 13726183.05 12241006.18 90270.05663 51007.04055 28678.31123 Ketoglutaric 57 32704.60964 106691.8627 38598.60118 221072.0135 227064.0946 304622.0566 214865.4824 202822.3035 205439.4743 274767.7704 165775.8372 290294.9901 233242.7851 350610.0884 228366.0509 98213.00858 356858.2882 240915.5718 212969.0094 230230.1371 447529.5638 255564.0011 266455.7983 64867.90852 188317.4375 212838.048 110581.8635 2823404.423 2518091.174 2603595.123 2773121.298 2747860.541 2494401.019 49964.8558 2856835.774 2370360.222 3073990.261 2708026.408 2480768.517 2427130.153 206617.0613 2804146.181 2597037.268 2785525.283 2689653.642 2868132.314 1831948.71 287371.5172 31013.16563 133598.0813 32880.38624 243122.7834 582628.5976 311249.6576 236744.5291 122445.0939 249852.3263 222358.7125 264825.7077 311803.2146 252368.6833 213115.7102 276892.3362 116295.2632 286464.5661 238933.5671 274044.5708 262994.8291 211025.6307 394124.5971 225795.3977 130577.9587 225663.2747 211255.4864 243301.3759 2526465.127 3096204.141 2792734.059 2617255.069 2330031.913 2675195.992 2564969.432 2624123.493 2790672.961 2809604.96 2444221.671 2110547.24 2913009.431 2724721.536 2600692.541 2956163.657 2691153.271 2618449.166 2708650.277 2821927.247 2779799.676 88887.67502 78756.28279 38165.51925 261390.9461 255514.2656 260350.6578 278012.7767 99459.62803 321328.2171 397133.1149 257927.5319 261286.1665 252975.8329 251066.5235 260898.0637 137069.6467 295416.4114 235675.0747 207476.5904 264015.1297 419224.4035 230725.7262 333625.702 218187.0451 178978.8739 237784.8034 252778.5285 2194926.718 2539131.286 2358448.661 2445387.544 2811581.872 2638373.442 2244215.879 1983759.341 2483418.651 2230890.759 2679410.55 2448891.609 2402036.014 2195983.882 2762920.008 2859876.066 2672542.796 2090195.703 2128255.401 2592310.073 2266500.699 100099.4744 74697.3388 29816.75409 Glutamic acid 102 10281.73814 19539941.61 16071.0056 67114086.84 74466162.13 68326938.36 67365819.2 56855811.88 73739036.58 83305337.18 77269158.57 70868746.3 65497926.3 66748537.03 66968041.96 49601683 71459439.67 86177574.3 74604436.06 67725255.48 65524915.44 67134933.31 67429338.5 57484665.79 76785302.87 82124162.88 77932190.08 183116908.7 173826086.1 175904421.3 189853211.5 178619952.8 161700469.6 1433098.742 183934305.1 185033955.9 188773098.5 191349667.2 185782749.2 162956298.6 1486881.698 176023237.2 177988050 177344352.5 187277454.7 190341603.7 131824940.3 1844817.246 6386.579028 22939098.7 12445.8824 74027501.7 73492890.43 72497253.89 76131482.73 61452342.88 75765593.61 73607626.99 77712293.2 75018309.31 73626573.82 71108699.33 73454045.47 58120426.49 76019683.12 74587654.28 70645371.74 72757747.6 70201771.03 69316924.11 73285494.76 60638767.14 71959224.69 74096660.54 72919477.83 183728082.2 194185775.8 178263051.9 189194827.6 181727702.3 199800532 182634469.7 182391154.4 182531015.8 187047100.2 186267921.7 188073358.3 198284703.8 184801267.6 165755084.5 178916801.4 182455068.6 192676273 194744969.2 199785087.9 179142475 37614.04561 26569868.05 16478.30331 77023651.44 72858481.13 75928358.64 75751050.84 65456517.22 75438249.27 77860086.94 73411583.73 71774427.08 74300793.11 71084209.01 73322756.44 65447740.54 72555668.47 73917892.13 76476470.58 71404607.74 77798236.07 71402989.23 75203407.27 61798916.49 72397442.3 68514556.53 74469393.64 184476263.6 191522601.6 189483503.8 191513619.4 194838735 193121954.3 182082643.5 184291880.4 189682615.4 183790264.7 191327185.8 198898295.2 200780862.7 196607890.2 192186186.4 190916968.2 190918219.5 183933452.5 192278637.5 195825309.7 187774669.4 16023.15711 25797766.17 18866.73214 Glutamic acid 128 1186.648279 6211490.498 892.6544084 23468310.64 25204267.84 23184869.55 22321330.86 18372449.72 25575911.61 29999868.61 27534486.71 23308344.93 22772987.09 23110348.68 22505933.89 16600030.1 23478675.48 30836953.63 26146326.8 22240791.3 20813300.9 22390856.57 22485648.36 18262197.06 25004276.47 29182382.96 26857881.38 89697751.42 83542477.14 86127867.73 97150975.74 88561760.79 74083415.19 392417.806 91070141.26 92693070.1 95465767.77 99402447.05 93462342.25 75637568.85 440276.287 84779371.75 87919969.77 84064705.31 94357137.11 97422019.49 53239126.54 510377.1297 2830.935624 6362806.655 1533.428186 24474858.85 24287182.02 24539162.6 25395716.7 19918657.59 26401788.23 25403471.69 26776577.94 24398352.68 23139766.3 22661627.47 25338994.78 19235160.87 26266333.41 25722503.8 23317290.95 24100206.64 24013248.21 24004889.15 23413343 19816640.96 23925363.01 24840653.46 25724570.47 91824871 99043859.11 87398163.43 96845739.67 91841880.17 107126479 89288108.73 92808542.93 90384050.08 95372577.56 95005541.98 96555801.06 105780808.5 91587536.82 77256255.36 88711967.81 94243927.75 99398012.62 101575088 106981538.2 87133119.53 3603.174558 7794897.664 2242.123777 27737299.58 25299098.76 25666350.56 25784922.53 21884648.31 26408540.46 27578128.93 25521423.28 26268374.26 25678747.77 23045126.44 25379696.62 21126171.27 24910070.95 26699856.87 23785415.71 24839443.82 26013196.16 25198985.05 26241877.45 19530156.64 25061437.87 24192500.88 24895450.84 93098233.63 98278308.35 97257881.48 99100206.12 102053739.1 98324164.71 90788871.41 93012042.49 98536269.82 91513780.48 97899567.02 106430714.8 106544708.1 103370736.7 98686077.48 99080329.65 100463191.5 93155535.88 101225902 103131721.8 95764541.74 4661.568549 7216824.202 1591.8593 Phenylalanine 147 528.9007341 20889624.96 791.5987933 8561349.598 8229304.626 8266639.687 8114235.694 11482356.72 8537327.33 9177937.921 11368640.64 8074493.559 8256990.44 8334382.205 8225930.442 11604853.38 8190928.963 10358570.26 11386750.86 8418912.817 8400515.506 8465025.863 8446241.564 11727863 8418135.61 8887565.409 11486141.35 17463396.59 16099882.36 15240697.5 16209617.63 17393481.67 14221556.1 212773.5643 18096604.94 17111461.81 15739080.47 16388513.4 15934803.99 13219574.2 286620.6158 15955182.94 15974059.1 14467413.89 15187773.67 15264069.04 10974305.72 275773.8419 858.7737442 21275325.5 579.9436642 8492926.799 8495459.883 8458720.131 8428406.729 11546807.07 8266611.154 8370447.272 8262557.964 8869922.182 8123510.805 7986273.496 8438549.031 11749284.96 8740976.927 8333036.086 8258931.768 8244524.042 8350674.185 8120753.306 8365417.601 11657187.24 8263681.539 8344214.995 8317242.121 16820505.39 14740563.04 14362148.94 15126452.83 15761366.92 16916931.46 17974343.78 14968517.61 14784670.31 14848009.35 14358683.86 14843322.18 17046871.8 18001338.27 13712980.56 15258797.05 15749763.29 14429219.68 13813386.82 16594476.1 16360354.63 1172.155665 21257112.97 1093.150004 8208011.462 8012166.631 8301633.964 8468034.404 11718099.37 7911276.981 8048932.351 8296309.671 8078290.292 8053055.686 8429522.383 8540782.919 11926152.21 8459494.26 8319058.526 8460710.877 8314015.599 8283059.343 8015686.176 7898195.717 11787087.9 8484504.31 8229055.77 8664553.533 16083519.29 16734778.78 15685519.67 16935310.47 15489526.03 15872665.39 14987292.77 16193212.94 16906465.13 16023048.48 15110104.11 16794871.36 17682866.63 18293257.06 16399864.37 15391879.99 15686691.85 14965475.93 15840758.26 16055437.14 16198057.74 731.6492326 21388008.64 1342.415839 Phenylalanine 72 9204671.152 3602162.226 3476493.337 3454056.435 3325831.35 4815872.183 3521146.471 3775682.302 4649154.592 3347186.002 3422620.629 3466650.578 3455952.748 4827756.54 3363171.161 4279639.854 4769388.752 3430528.885 3468956.463 3484087.224 3475986.102 4762514.553 3509852.004 3759648.139 4801387.354 7252353.532 6640623.322 6167818.783 6809713.115 7183726.636 5923671.769 93975.18414 7385210.682 7133237.556 6469902.922 6793275.588 6490414.39 5392460.772 124552.9364 6734482.612 6619235.254 5964952.404 6406536.476 6443187.087 4575646.875 57588.97156 9290943.426 3523472.061 3503630.751 3554118.761 3528316.534 4824017.487 3456973.872 3522163.328 3461633.999 3693517.462 3363453.105 3358749.72 3495109.257 4921443.751 3605550.224 3480304.837 3452033.288 3421462.503 3425810.862 3409996.584 3467636.351 4821985.295 3501122.39 3456738.315 3503771.435 6809574.276 6076703.558 5882628.096 6348214.586 6533072.959 6834912.484 7420560.001 6183058.275 6032146.175 6081852.431 5834161.398 6159012.778 7060288.041 7400718.033 5618323.891 6254563.982 6410078.83 5965744.726 5755144.153 6724088.479 6808052.934 9164195.133 3405107.254 3269460.432 3392789.545 3443706.776 4795946.802 3258749.997 3300962.696 3358711.014 3358594.456 3325307.013 3470326.978 3534195.55 4878465.302 3434340.573 3466994.256 3473861.888 3354914.973 3427253.646 3297020.552 3259246.308 4826260.307 3471966.938 3361746.781 3479401.185 6503847.301 6862035.873 6489528.579 6881295.605 6265756.55 6498343.295 6269669.902 6706263.977 6940910.889 6702880.579 6244394.027 7029938.046 7278967.065 7366132.965 6663066.185 6277407.511 6444915.481 6133454.759 6453625.999 6668225.191 6593233.254 9284021.412 Uric 124 2787.482452 8349.724654 1933.456167 32802.15746 35997.12178 34430.50916 41918.70913 9050.106761 40061.47227 40463.17551 41887.35816 33642.67294 28494.14878 37461.53761 36459.16979 6087.203542 36115.64936 36870.90542 40260.69243 27997.318 40375.1948 39488.01157 40761.58456 13069.98282 40982.90005 47266.24363 31146.49019 54240.87402 42144.1941 66446.41928 66426.37401 62086.62464 50621.2159 8055.644498 51320.51903 53058.48749 71262.17788 47298.97472 55506.54138 55719.92835 28765.70873 46618.6652 54861.25169 65586.03001 69468.37242 47162.41954 94544.87689 29623.14671 2082.082472 5058.767809 1907.11719 77751.67859 28820.00583 42818.98904 32043.86696 5087.041129 38668.2645 34784.06846 43475.5143 32150.42092 26336.59675 30923.21608 35327.77298 6130.796242 41764.82001 40360.11142 38281.95325 32185.37844 33521.50317 36806.78191 27973.77238 5397.718394 16858.34732 35136.64739 38679.18216 76689.37792 51561.47409 53853.18649 114382.163 73902.00131 101090.1389 84064.88322 51839.74767 38348.327 61148.63641 45821.35425 80451.2694 66184.34896 89102.99763 28501.30013 41091.47056 100915.5284 53953.29211 52027.04028 80772.99563 94672.28432 1126.263078 1198.441564 1355.440539 27404.49556 27367.00587 30430.34235 39141.73785 6948.616392 31846.49738 39866.47459 40044.60652 36137.45482 32889.85619 27717.47837 31772.24968 6214.118474 30904.71452 30259.26415 44659.58916 30949.20126 21152.91876 32347.79597 37105.16894 9271.292077 34838.57324 134191.5516 31693.71688 33397.77937 62403.67791 41109.95213 58980.71682 143195.0043 54248.80234 45365.99437 41661.69702 44102.92911 31056.76673 47619.53185 57415.30752 56708.58961 69756.29042 55952.38761 37977.74627 32803.69114 46247.41261 34669.76991 42848.38598 38957.86615 2924.18542 5547.275216 2055.471725 Uric 96 265.8016441 4286.961162 789.0944865 16325.07347 14430.17508 16410.39007 14258.87748 4485.328706 15754.70819 15771.88923 14387.87297 16217.39867 8741.60785 15736.96581 14138.40179 2840.804986 17165.11722 20278.85551 13802.4909 10647.72017 13432.82255 12498.9574 12827.39399 3757.811444 15777.68043 16928.54301 12993.01145 23876.60605 18084.32477 25927.30045 31276.67374 21092.30813 20720.10998 3509.983395 16960.33121 20522.58711 24269.43574 19100.35192 18087.10557 22597.01456 14835.49077 18110.38397 19253.79651 32120.92213 27568.25494 24010.86053 40712.33645 13477.65414 471.7702872 1607.717101 386.9789291 33387.31033 13155.85555 14146.57402 14359.66862 3022.109061 17294.23243 12669.87507 15477.90812 11818.66964 13858.44831 13329.91892 14597.48641 3268.13141 15031.32866 15093.14631 10623.98373 13537.04715 13899.77831 13659.59622 10967.03199 5311.417935 12037.61308 13688.27589 17383.81836 32726.55099 25066.8473 21896.22881 56305.97604 29287.33096 33507.05094 34114.05776 19127.98769 13760.70659 24251.04881 15116.49612 34506.92615 30147.53218 37735.75752 13172.16228 14156.16923 36205.83891 21660.63494 24430.38453 39741.00767 29091.3233 253.930701 592.2500529 13641.42066 11927.68595 7977.445056 14440.04569 2791.458352 7259.667549 14394.88619 15953.47345 13621.73423 15157.53539 12178.02395 14097.78351 2916.589292 11559.00825 13083.06639 17074.13618 13744.48655 11657.44717 10565.96228 13568.20501 2929.392255 11188.90556 52821.3329 11555.63245 10788.29218 21537.61837 16514.43813 32248.51543 56504.28688 14079.8574 16992.62108 20387.72833 16917.58011 12179.26233 17914.30502 22216.72069 20803.58688 28692.28934 17499.15034 14087.19322 8991.714619 19340.91574 13778.91801 17889.79001 17908.23579 741.7399148 Arginine 131 150323.5063 55401554.66 209542.3976 66946782.18 66268023.3 65881824.37 63232645.32 69792441.32 65048107.15 66488493.92 66421586.16 65864051.01 65209602.14 63316161.78 63353553.13 70376634.54 64182977.39 68073448.48 66037632.73 63529612.95 63809183.15 65431241.89 64742626.05 70114108.24 64966572.35 64377814.33 65705556.36 55427522.58 47935668.62 35515250.69 45730266.58 51717198.2 42676434.95 1243483.845 53702191.04 50522165.48 33561497.6 42439701.05 42907522.08 31562240.57 1289885.765 45820518.72 39797099.62 29543163.51 38441317.41 36654330.62 27823953.53 1467899.751 105419.6542 56505690.4 158892.78 67539066.75 67028554.34 66947621.22 66939190.16 70375274.6 66381642.15 66163639 66467966.98 66613355.64 64896912.49 64397929.88 64959004.42 70104410.79 65849990.02 64860958.78 64092502.45 64999440.59 65696206.87 65460152.96 63958121.7 70156572.04 64978837.72 63707718.78 63967692.99 49459496.39 28918798.91 32215052.49 38452095.42 47409514.27 41864753.53 49560410.77 38711460.22 33628782.8 35931760.07 30538812.83 40234506.69 42306918.22 46874960.43 36171955.14 36745333.99 39240637.79 31423670.52 30631303 38893716.34 38836023.34 127888.1332 57472116.05 155786.9841 66593073.61 64673433.51 63696769.78 66530111.29 71377833.18 63979542 63658833.62 62929542.74 64100007.6 63898466.94 64793590.74 65235120.95 72723588.05 65230987.28 63623249.78 64726466.86 63675512.73 64385545.01 64396951.08 64315501.25 71814704.54 65649786.41 63648170.54 62874748.14 42811160.24 39628922.19 37329771.28 44254402.6 33321000.86 34749318.39 36536753.45 41454862.93 41142358.95 44689134.51 34448226.82 40776894.29 47054548.86 47115435.37 38765884.81 30834365.85 36411430.95 38870596.79 38255905.53 38775844.27 36300912.02 126479.2323 56619190.99 160726.5196 Arginine 156 8067.933131 3437459.218 6229.23756 4171626.251 4123380.502 4088611.265 3910557.672 4405717.18 4067770.723 4133535.597 4157374.674 4124007.009 4090272.318 3951840.595 3922127.419 4403148.403 3993616.259 4225402.935 4145273.208 3963331.319 3968918.377 4091959.042 4035029.926 4425948.922 4078933.103 3987766.706 4088599.008 3444574.984 2948013.679 2172104.281 2825870.089 3182678.404 2618982.952 75991.75633 3313793.147 3113590.499 2049293.208 2581709.175 2634157.676 1911105.736 80208.40959 2835870.859 2440724.599 1806859.293 2367394.107 2217437.322 1685347.209 91625.31441 6352.307743 3535791.57 6677.749246 4219083.637 4214207.938 4187155.672 4166307.678 4421140.595 4151829.856 4116575.241 4154327.65 4158209.233 4058534.373 4020063.296 4038011.852 4398663.493 4088277.653 4033839.578 3989094.28 4078684.308 4082831.362 4080374.664 4004475.326 4415286.283 4045395.048 3967067.024 3981605.12 3052596.419 1768370.297 1957230.173 2341414.021 2932151.901 2587302.899 3060001.198 2373609.515 2052533.269 2185389.87 1885348.713 2440741.876 2588879.422 2874647.611 2228362.131 2242296.703 2399564.67 1936518.769 1860649.718 2354907.407 2384098.887 6335.285256 3579711.089 4744.875652 4209200.354 4053140.148 3997562.795 4179215.791 4498916.405 3984584.111 3955259.678 3910286.291 4025149.858 4007928.596 4058913.766 4071298.432 4583463.854 4100716.13 3961815.655 4020914.913 3976022.092 4031181.161 3990085.29 3996592.431 4536739.305 4111745.922 4004368.437 3949052.09 2619187.766 2437388.102 2279703.429 2716343.792 2045995.512 2132724.936 2231982.485 2545693.846 2536399.237 2764159.077 2112019.982 2493829.846 2910561.096 2914051.773 2380524.228 1893088.318 2229380.012 2384104.438 2346075.368 2397143.946 2230343.423 6516.251112 3515387.264 4407.74518 Citrulline 131 854.1943022 10300.71634 1262.842659 67989.28762 64178.63547 71835.91684 69943.70729 66002.26178 69169.68998 69534.4491 130906.4951 68362.11159 65768.73001 68864.45088 64717.74394 61153.53447 61570.29608 74814.69146 192689.782 72372.08253 65803.36082 63275.41275 61525.22242 58172.80991 71337.93457 69995.86768 125841.5182 106577.2598 99836.79774 113921.0517 119548.323 120286.0643 119390.1355 9200.863891 116696.3408 113653.0485 108708.8017 127008.1456 116755.7279 147860.9831 14662.29421 109664.3687 115186.9179 115443.541 137066.8057 120125.2155 164046.6259 49936.78416 1245.557456 14161.21324 1006.813804 73263.68048 70696.16158 77622.21657 75550.52541 65184.85831 71689.67671 72178.45409 72431.24996 77104.01659 67559.24683 77023.03592 68562.87317 68312.83222 73051.56363 70526.17202 73875.08748 67741.8564 69317.77936 63103.42229 64193.17484 61145.77038 70304.61445 68760.7695 68747.31249 120272.7646 109823.9176 107899.491 120878.8347 132977.1284 147426.575 163407.7776 109781.9496 110950.341 119749.5934 103308.4722 125505.6864 139011.723 178846.0394 108774.1546 114776.4898 127698.3483 108255.2423 111654.5802 149974.4206 156782.7298 2952.949944 13067.74815 2392.122609 84495.05246 77730.35729 65015.71371 187345.2944 68905.53282 69720.42997 72961.2981 80275.4232 67229.37619 66704.53091 70038.17369 76260.98802 71219.62305 77250.40139 74881.82757 76047.8567 68342.15448 69013.98608 72773.9754 75096.79992 68670.11752 73804.62802 71092.76715 69164.53211 108765.6251 193659.0908 105310.7729 117632.9839 568878.9798 123615.1532 135142.2472 175575.0691 117450.3616 109340.27 132270.0969 121771.8233 129879.5417 167501.7293 117494.4859 110470.9507 107461.7495 116052.1501 109172.7414 127876.0758 136937.3409 1202.677499 12259.42834 543.7759609 Ascorbic acid 157 19255.13718 83893.51741 26160.14257 10109.11139 3962.005442 3899.54674 8101.184372 11651.56202 6501.76126 4841.817711 5909.8832 11140.31477 5817.034453 12762.90898 11472.26918 5631.49945 3486.674949 5687.043203 3725.913908 13389.70788 6269.099974 6866.168118 11082.39459 5861.91045 8194.953457 4940.797981 10454.59808 425115.5121 410058.687 415221.251 462608.852 461329.403 437548.5534 9267.620403 470104.0186 405829.1541 439892.8951 461884.1568 411596.0347 379349.1769 26915.98533 416988.4928 441493.5889 445214.8693 442170.0244 440326.9463 350193.1604 10166.37582 15353.91578 39691.69577 28773.89925 6574.173053 10324.70718 9277.922013 9233.465695 8378.237983 8373.276346 18210.23281 16806.52852 5274.784474 2952.973218 17375.4058 32607.72702 13840.28302 17018.74 17832.74364 13571.74827 5670.259253 7304.018072 3774.559611 9670.502951 14215.54874 15381.66477 3669.008531 15314.95285 441219.9362 422559.782 424999.6086 441901.7914 409924.7772 359929.3174 310937.3692 413935.8399 428846.2376 398962.4138 420260.4383 348728.2622 361044.289 334717.32 389631.9493 460885.4398 427211.3105 385527.401 343240.152 370164.3044 298801.0416 17281.26094 55005.14576 15572.74117 22090.14222 22449.15977 13665.70994 21806.51225 11707.88466 8479.767138 38344.89081 15103.47802 48396.38024 10662.65609 10343.21677 10405.36926 15508.98652 18091.25288 9469.566365 3981.505293 19924.61204 14114.95887 23384.31926 16562.34426 9937.372051 16058.28324 24964.59208 3113.427542 394072.6713 442967.0385 430772.7327 435101.6085 394750.5289 370746.2482 303381.8594 408727.9916 446163.8412 434066.9286 385537.0467 401466.9188 356673.787 346464.8906 438972.9992 450628.531 469931.4822 406630.0762 389392.9106 348527.9118 321693.4201 13864.65116 42808.81985 44421.35887 Ascorbic acid 79 13449.58252 3543.231536 8973.972496 1971.427472 6370.255636 6861.985839 2617.019209 3272.446474 5283.570961 5425.337403 6526.522663 6558.745533 7273.522797 5447.726522 5586.765951 4110.183753 3615.571972 2056.07816 3222.546449 5675.832583 6476.116133 8990.462733 6715.806119 5659.311363 4297.388459 7827.933759 4512.171738 3438.25526 3620.916656 5538.260885 5629.138197 3866.933965 3608.229335 7662.940661 2049.698347 3945.619492 5774.476914 8255.578399 7326.748788 9063.283017 3659.242343 4917.845308 3989.621632 8015.248746 6324.450323 6413.021071 4476.417411 10590.33775 12310.22514 10244.08489 8851.238734 10370.07054 13687.95261 2392.783948 2955.662035 7064.32399 4881.12723 10992.11213 8936.34466 7689.718324 4598.578298 5849.070577 11568.17919 7032.063149 4073.370539 4345.327597 4755.981683 2948.916037 7375.483048 1158.215866 6445.30074 3531.295902 3239.065779 2020.178024 6576.530137 5819.07597 1555.200128 4891.908953 4616.437068 8984.678231 5085.234073 12390.86421 3871.50479 1050.218559 4672.384847 8964.754767 2348.805331 4412.026492 6164.07439 8741.575796 12020.43536 3024.781989 9460.955753 12034.49637 10057.20015 15673.95323 2484.647684 8089.664836 9803.11452 8888.810495 4597.535012 3415.662052 6972.783387 8735.742107 4754.044124 12044.10895 8072.485208 3572.036035 6444.901061 9208.224303 11406.62767 5222.215152 9097.125626 5514.878265 4066.855478 11668.87773 6625.905205 4012.886429 8476.165059 4272.636732 770.1724371 4966.266357 8697.477788 4676.667687 10974.4795 1761.44677 1928.791308 4570.366404 5883.564598 7197.83181 5437.308272 2789.488287 3301.254292 2093.961768 4524.571424 5242.771313 5588.157592 10052.94028 3301.831455 4640.283855 8790.765812 4948.309834 15102.06099 Glucose 59 4618.277606 177711499.3 3867.007782 106298079.5 104177152.7 103117140.8 102995251.5 123239362.6 105800942.9 104206611.3 114567518.3 100887883.8 103152870.6 105037289.3 104320782.8 123561022.2 105116680.2 109168341.9 112651079 100869768.2 103420011.9 106464519 104752646.3 120669939.1 106061220.2 105334290.3 112730342.4 49218452.58 43261959.77 25341865.9 40863427.72 41713255.73 36066661.58 3380722.215 42401481.88 43827053.78 21079421.35 34133133.58 39388047.33 24692636.33 3406639.723 36874069.96 30035745.32 17098619.17 32801100.13 27695449.88 23682363.73 3999580.768 6913.163479 175628333.5 2712.641918 105153851.5 103713109.1 106246181.2 106076661.8 124439336.9 109747730.9 109914112.5 108994431.3 104816505.1 100737243.7 102467015.9 104834620.5 122253949.8 109511011.5 109545225.9 108464834.2 103147848.7 105231537.1 103257439.1 101352189.8 123229006.2 108736483.2 108904697.2 110598732.9 45059365.97 17366796.76 20145946.66 29421681.8 40024382.29 35158031.65 35986632.43 30887020.25 24047289.7 28780293.47 22627823.45 34733302.85 33665950.25 29188309.94 28865617.22 24516451.51 26471144.67 23073594.31 21161796.14 29604673.21 22136338.73 2599.068929 179623256.6 13124.79964 103968086.4 101479237.6 104544804.9 104946864.6 122741811.7 106939356.4 108115064.3 107016413.1 102336941.6 100844273.1 105447640.9 107108159.7 124790500.1 108825930.9 107389710.3 108745852.3 102795160.6 102621279.2 103382223.5 102620299.6 124794700.5 108422045 108989146.2 107936938.8 35661545.04 33115384.18 26626033.36 34891611.62 25312643.16 25048251.28 28984602.87 31716283.59 29792405.21 39356951.68 26533903.62 31285623.03 40646872.92 36133816.73 29359993.05 19508501.12 27205534.52 34450150.05 32679792.9 33708770.62 29271634.69 5694.536072 175851213.7 18066.68182 Glucose 71 235.167686 72939750.92 226.3222979 40564959.21 39160156.44 39065856.93 38765043.69 47749845.64 40258650.8 39951999.4 43828744.05 38268978.73 39056231.58 39926884.57 39363431.27 48230138.45 39709886.26 41847829.6 43926369.2 38591255.09 39908131.2 40193484.52 40616884.63 47217884.45 41160473.43 40326557.96 43593591.79 17730696.91 15518900.93 9065793.456 15030084.18 15336989.24 12938766.45 1216299.835 15276221.42 15504339.01 7725444.335 12334938.51 14224800.4 8947102.341 1271972.781 13391457.82 10708101.67 6378162.738 11787220.57 10016215.51 8765416.455 1446225.628 71562979.51 39761054.9 39665326.2 40287927.64 40833730.15 47457089.34 42212825.62 42759046.59 42458105.83 40348405 38488999.78 38494436.32 39472700.68 48273771.87 41197011.13 42337300.33 41371994.44 39781126.24 39333561.33 39836844.22 39032919.83 47850378.1 42231758.88 41889106.56 42508306.19 16267796.66 6207690.874 7348824.03 10742394.89 14264587.02 12750567.75 12756061.37 10854157.74 8677945.113 10207636.12 7991868.321 12415422.11 12164647.25 10571353.05 10183467.05 8853411.402 9533622.141 8399492.695 7496475.724 10554364.63 8059211.429 84.36722058 74453104.09 1598.376913 39532040.99 38749968.7 40181465.8 40402036.28 48384862.64 40890721.78 41759660.42 40860855.48 39924736.82 38085154.46 40313872.96 40596158.87 48398608.51 41780685.26 40933841.34 41364458.25 39285973.33 39581790.36 39752852.41 39812555.61 48102560.81 42013174.54 40903967.4 41877526.94 13009449.11 12002468.76 9523886.413 12518019.39 9171508.894 8996393.145 10490723.1 11379380.31 10761686.49 13941418.6 9598467.606 11335257 14561918.25 12745052.17 10455309.2 7080071.945 9931138.044 12121426.8 11731885.93 12088169.51 10680487.84 826.9336895 72407503.99 889.3554339 myo-Inositol 161 13534.77778 1749544.486 11955.79833 4569916.413 3837358.833 3722324.174 3667455.507 3757286.747 3522160.583 3534549.683 3374148.864 3614021.577 3497765.944 3417540.543 3580461.361 3499069.391 3363546.707 3535146.758 3436213.427 3438470.867 3378252.407 3289995.593 3446800.418 3421916.233 3357212.453 3464884.32 3321777.116 9211116.878 8137678.995 8732275.835 8585830.482 9239903.241 6818772.914 41544.8388 9063580.767 8526405.032 8525614.377 8144159.295 7470439.912 6615173.328 53064.80371 9026668.503 8485978.909 8282866.14 7464062.881 8335082.563 6466859.924 54441.94402 13076.92323 1606307.938 10752.06699 3346104.171 3053939.62 2958246.554 3211545.438 3073818.997 2909433.927 3044739.421 2952435.523 3009295.221 3014166.47 2964157.963 3121816.657 3118915.573 3269394.834 3123157.971 3069152.833 3097753.995 3120147.787 3086861.69 2944617.843 3241034.192 3014282.756 3117931.315 3076599.658 8535363.627 8657938.568 8588772.068 7657998.81 7519119.508 8562514.22 9358291.333 7331757.51 7924318.563 7689780.99 7581840.752 6624050.664 8087551.112 8846696.25 6702013.696 8396982.405 8022924.938 7412781.996 7096854.722 7888955.466 8652307.308 13867.45234 1657033.52 10795.58264 3168223.712 2979583.964 2761122.865 2866287.675 2886199.951 2985292.808 2911169.017 3037839.823 2973766.444 3081306.84 2976859.534 3000349.28 2988507.115 2954535.727 2982178.315 2996990.144 2980060.244 3083073.705 3012576.257 3019596.73 2838541.141 2908402.924 2974343.059 3000324.366 8683766.68 9290253.752 8087836.588 7994084.378 7510999.657 7781479.533 7403590.772 8380939.665 9020755.444 8087780.704 7301762.028 8042863.332 8296695.03 9001554.634 9164928.729 8702848.688 8577221.547 7506799.064 7977375.983 8043233.896 7954856.239 6865.065204 1688006.802 10098.88776 Citric 111 3732.317148 883.2131068 1990.078281 105397.7061 1843.520934 10128.67978 2365.366484 515.5602016 70943.47377 6047.665842 211082598.4 225820096.6 249369633.1 295370298.4 284490002.7 305363973 248853963.5 272054440.1 288719973.5 318579863.6 323124061.4 335504122.2 8445.17608 226173672.6 250690754.7 258338557.3 286330758.6 321084494.3 282015338.7 1162630.665 7739.391065 753635.1412 219654.8194 283706.2504 198084.6076 298738.51 274098.6246 211393.2113 253400.3412 144660.6733 28717.59552 136961.3692 239399.1407 378752.0149 199819.4547 421463.813 251255523.9 272353956.9 285590933.4 323457526.4 325907648.1 378571734.3 360936861.5 276478137.2 276349089.6 287770704.5 320537578 337207512.7 378713682.1 371246607.4 235435724.9 266729882.5 298656010.1 299080866.8 323710619.1 377783331.7 347563101.5 3032596.849 765475.3427 1065595.965 283126.0741 258657.1037 242216.9183 309743.6768 340864.826 253930.2746 200052.6952 304726.6804 262106.8709 369856.756 359150.2083 390789.3194 347522.2467 337896.5105 399724.2889 378547.4703 215408936.4 242781068.3 263717239.5 277334539.1 302667653.6 325422647.5 304269134.1 251876481.4 263947326.1 258644137.8 267507499.6 344445504.9 347178841.6 344897322.3 249137906.9 249558780.5 263788933.3 264630408 324663082.1 319496183.4 299248188.1 2490544.749 690396.6889 7623.654997 Citric 173 51959.00196 24007.21327 45069.98708 35404.62328 22099.76582 24347.46994 12026.44699 32589.74627 30765.90643 32631.30864 23951.39508 23015.68969 12286.00426 25107.298 5942.66371 23828.4576 28011.469 19788.81402 14340.93821 4816.215723 21185.5883 21222.70424 8262.663315 20050.67507 36271.61596 30215.74499 19042494.54 20475566.48 23696412.75 27319748.9 28672909.37 31831816.87 22451512.54 24730382.37 26421448.35 30173939.27 31025238.93 32704180.87 20499482.26 22885449.4 25144495.71 26820793.5 30656182.32 26657393.89 65347.93506 47963.32295 37598.51967 42179.45378 50679.06867 38233.80728 44827.39858 52061.05157 45772.50324 54448.84929 57308.5843 16006.23414 33913.29635 32991.56498 42325.93924 63691.93497 55520.42148 49324.3982 32948.21572 44515.60751 42620.32505 29958.09417 58207.88635 55466.5018 43684.4379 22617961.67 24777706.39 25878772.27 29484270.58 30716056.67 37148899.45 35209441.13 24796621.23 25573843.22 26350635.81 29623471.3 31559026.78 36744758.07 35918358.56 21304299.85 24443456.95 27244444.57 27390929.7 30350936.61 36491813.61 33313093.56 187183.1589 79104.16281 46220.1832 50445.56132 33621.44157 54959.01026 56517.0658 44120.37733 40221.30328 49806.35017 42470.51033 51591.2572 41114.74582 49897.51229 37110.58516 56632.72882 66176.77148 55283.46041 53594.20063 46328.64793 24145.32771 47357.59033 57749.54855 48366.69103 19132445.45 21804595.86 24036466.45 24919002.65 28188361.09 30874013.69 28267837.46 22254329.09 23664506.67 23306280.32 24203459.1 32787580.04 32800163.14 32784873.76 22213556.47 22537607.7 24046685.92 24169928.14 30233530.36 30390551.24 28052398.66 198394.9788 63801.8138 60441.89562 Myristic PAR 24699.14376 160105.7917 16155.13693 163011.7767 129526.6862 146124.1219 115344.0951 131007.5762 112875.9502 96357.61556 360152.66 145547.2024 142129.5192 146607.2433 124673.4718 101088.5848 101846.1875 123104.3587 332958.9837 136750.8839 121688.688 122002.0299 117022.993 104073.673 138949.0955 109013.3267 375182.0422 703083.7162 657173.1576 606791.3546 904843.6169 596314.9349 553689.7472 361061.6033 677264.8089 723833.8825 676281.0594 629804.1546 603426.9476 528482.3067 385488.4538 613687.1231 642820.9809 673528.2074 739810.2257 619272.5881 644627.8359 429621.0781 33979.76912 129795.6447 34277.43213 141355.4033 134543.7958 119229.2975 104832.4297 110371.857 76310.39811 65807.87291 90817.31406 143811.6358 135949.6126 131031.9265 92910.83198 102427.5715 89278.6235 72217.92688 64981.46908 135298.2259 157698.8753 125546.8914 106159.4011 90962.55445 63090.00666 80164.67988 72791.66457 726640.3428 911092.366 595195.3901 653133.675 831382.6116 623293.6254 628522.9727 655872.6922 651503.9864 795904.9065 561859.0018 596817.5373 550799.0248 634865.8056 556701.9993 627851.1852 707653.8847 659959.2422 519920.1331 536754.4111 616107.4937 31595.14016 139542.9516 43838.30162 161421.2989 153067.1623 131528.3296 165756.3546 115766.8462 539029.4244 66762.20743 155164.8789 141084.279 144991.1813 132769.0784 103059.4407 109012.7788 84192.53247 104122.276 145941.0017 122987.6794 148667.362 124146.2345 113191.4669 113045.7382 72599.651 76328.71035 151427.5955 729773.9923 1234624.758 773138.2994 879593.2603 476465.8816 495743.5102 1009729.663 704054.8457 754380.114 687496.9817 646764.5548 670920.0352 528070.2498 1245747.225 712518.5474 676841.4992 654880.8803 578873.425 453849.85 564938.4701 992317.6448 55001.30182 128732.7548 65408.67588 HEPES 80 640.0800961 63441171.84 1431.359099 1763.734224 1398.57685 550.0016075 2995.21967 824.5384431 550.5760043 1453.7503 866.6227595 904.8725325 438.164654 281.3806599 1558.062475 2031.002751 828.4586686 978.2163242 1384.245879 1541.802121 145.0718646 755.7281739 2359.350012 821.4349866 1007.671766 449.0365433 1197.144293 2839.257966 461.518504 449.2892431 902.4325267 771.9123966 1123.987253 437.4034077 1903.186315 1142.322893 1181.04231 1285.305445 1512.063019 3124.75286 436.6349029 312.3721599 715.9527916 311.3306333 1174.540305 2609.415988 1585.209917 686.9624304 784.5331028 65219513.95 687.4480947 1378.671955 681.891802 1171.25896 872.0213803 1308.986543 410.6469735 684.0769727 614.1221577 743.3460767 893.320073 867.1774019 419.2941027 409.0954599 615.7795512 814.6221975 1509.692717 1528.533066 1128.573589 1870.380917 295.6822604 872.2819058 809.982294 1376.719611 1234.734095 1169.129025 797.6839273 817.4453006 1390.716897 955.6884015 3325.340203 576.945551 1181.362729 1475.467038 759.5500399 774.0453443 1151.581716 3523.941833 1457.80403 1261.009353 1043.81998 974.6466068 908.5034479 1093.836016 859.2246741 1069.270034 1189.348819 63168117.97 809.622037 872.3016799 1151.891313 1419.022349 3138.337978 631.354982 1277.214173 1058.686785 838.4377858 1328.44842 753.9337254 2528.766689 1309.376682 894.0559396 905.2576768 2124.393881 592.0131489 1313.350002 1687.675859 1838.824641 857.9681227 720.8699675 847.29283 563.807027 1241.155903 713.6291052 730.6055743 1753.195428 790.5792205 340.0027337 893.9161063 2226.576624 714.5611199 1880.522806 1869.292231 1155.233655 1561.802287 1345.715757 737.0918999 1020.606179 1882.337647 1483.221032 726.000458 1828.241477 574.2780437 1953.038872 401.5546604 64845149.02 1591.842578 HEPES 107 255.281645 1651032.892 254.2089408 278.6927235 744.7230504 289.6223958 711.9118838 281.3359335 744.6990159 2033.551519 824.7590348 291.1960052 438.9337856 603.3692511 560.6057346 289.761952 1042.81766 142.0200186 281.0366092 444.0736284 304.8141778 273.83866 1153.61379 333.2886238 162.492558 725.2452483 451.5678257 288.4665743 201.3061158 299.1497517 620.1228643 515.6264511 762.9612654 148.8134759 596.4626056 434.6654242 754.4386977 192.7119851 145.1624596 174.8267694 504.9517317 175.1243626 155.1334835 464.1853891 287.7889739 264.7195047 1645959.687 530.5411066 420.0214935 568.852676 1148.266314 142.6156248 603.340038 945.1171303 448.9543387 416.2367504 143.8777807 303.7631244 846.5010856 534.9264753 234.8366845 868.4214027 458.984275 833.6478122 685.9658019 1187.513539 144.172234 421.8269142 991.5909292 929.5586711 1038.941623 1627.55228 616.6988878 1050.968406 773.6109229 387.4138612 890.585156 290.0208565 1320.279701 1102.65629 925.8788418 859.1599646 777.7075621 896.6449508 956.7492691 1184.363311 650.8257953 550.4974185 989.8344457 1642675.542 653.3786393 1021.558603 402.6989627 645.2122824 493.1604266 722.7925391 290.6898272 415.277953 1404.426154 152.2844531 1033.401339 1366.860681 925.3799189 972.5200068 1411.187258 1549.596095 850.3872829 1091.832834 974.9244698 657.860734 597.4494878 689.2891976 417.5293906 643.7483504 852.5431806 250.1420763 1185.691128 556.8249569 1013.374972 723.1620383 487.6963492 414.082404 753.0001515 354.3553994 288.8130885 741.1474282 330.3527465 1039.982818 645.4818127 564.173077 882.9929201 1279.886295 1038.503784 846.5448526 570.4936492 1483.230053 276.1771191 1664572.827 549.7226003 Cystine 120 7127.420782 7845394.418 8673.584439 27242894.92 26782125.33 26144146.72 24905170.3 30310787.11 25749975.29 19587832.93 27100600.09 26204922.4 25245082.9 25912693.71 25096109.65 28310612.97 24622332.67 21073572.54 27584183.74 26469189.95 27160424.28 26520781.98 26740461.14 29246030.33 27594852.47 20671436.04 27863041.46 1289702.809 2398315.521 1114964.862 826079.6389 2744454.056 1297146.716 937621.6377 1202553.725 1154496.281 338208.954 656647.8872 615532.9813 263973.2232 972880.6756 1291566.482 851236.2059 690825.32 662000.0368 439231.3176 240466.6122 1133875.389 12255.31104 6200779.609 6661.954516 28620618.6 28816472.56 29320653.7 27861933.81 29418609.47 27694565.48 28460131.1 27811972.09 28067305.79 27146143.86 27653323.88 28041412.17 30707684.37 28072350.23 27753576.12 26487323.34 27360520.58 27379966.69 28181819.1 26823898.38 29916761.81 27078433.26 26462738.64 27186225.27 955917.8134 263908.414 309008.8444 1350004.643 657861.6727 1978734.022 683824.3529 658480.4246 402941.5221 648927.6818 1344401.362 2699014.835 1283160.791 386859.5901 420418.4009 418613.3108 345316.4781 1167157.158 724784.8161 1509369.205 302096.5866 8762.47249 6099008.973 7042.61471 29571538.94 28222789.14 29107755.12 28226503.36 31508701.47 27619634.05 28173535.46 26688430.11 27887837.16 27401284.11 28071510.29 28091647.2 30856387.77 28768259.23 27689506.09 27785847.77 28280275.28 28100849 27763902.28 28557941.28 31423184.83 28639156.46 27894330.99 27581524.51 2257499.526 3745555.615 1615933.575 1410491.457 949025.1068 873156.7269 1205618.567 2136168.778 1179480.03 1841244.831 894128.8466 1304854.013 1685816.705 2461102.196 797514.3023 850796.5502 896012.5219 1629106.325 1620021.171 1340154.089 1307673.193 5523.459283 5952193.48 9241.15021 Cystine 74 2072.687036 2071687.162 4749.693925 8136212.043 7876448.275 7723317.314 7416079.674 8953696.625 7362204.253 5827155.198 8092967.969 7942637.429 7705963.152 7305320.557 7436058.281 8382581.358 7320395.236 6121032.158 7954259.683 7675186.005 7765253.298 7684702.856 7779896.595 8804456.899 8117219.003 5999177.64 7908475.137 399121.8635 725748.4889 350454.3389 235667.1921 802923.6672 384310.9391 271094.0938 348542.3405 334255.434 103605.4122 197994.608 206296.7659 73403.77003 282753.1911 408532.2037 248540.5003 212755.2995 201879.947 127400.3297 77566.89078 334164.3926 5855.03833 1829493.62 2963.645684 8438876.122 8346225.588 8581703.415 8189277.876 8636191.93 8026395 8350915.523 8121118.28 8255212.609 7799371.571 8024302.619 8188533.027 9044241.777 8393366.925 8111496.265 7866670.57 7922673.56 8093340.686 8408682.854 7542729.235 8884595.266 7966695.525 7745262.904 7817917.694 285668.4294 67040.92876 93894.92527 426596.5483 195570.2317 566979.7335 182273.8406 184076.6726 122430.3574 204881.8666 416857.6115 820820.2441 367516.8563 106894.6822 133437.344 136844.6629 106970.3706 346258.5511 210339.4987 460517.2879 80176.86324 2554.222774 1746300.874 3818.483099 8671364.737 8036159.26 8061718.472 8281634.243 9146343.449 7942701.847 8019085.269 7919523.742 8063581.52 7795495.316 8255260.621 8084411.235 9100382.622 8440979.663 7889002.374 7993394.829 8031589.528 8158785.063 8309173.148 7992476.815 9082245.281 8208534.792 8160815.098 7881194.964 632809.128 1128937.238 467794.2259 430802.2027 243663.2286 218033.0316 373724.4202 680314.6309 382477.9055 535449.9198 279109.3369 378154.7892 485733.8988 760037.1729 233732.6524 241902.8224 260106.0019 467432.5698 476296.444 409924.7571 368440.6127 5775.108073 1724201.901 3303.928151 C75 209 14040.85524 7436.763503 12952.2295 7018.749176 5586.46056 11785.36444 4345.008721 6790.641282 2457.02915 4185.927975 9241.100472 2034.612648 4745.885864 6800.892781 4819.40439 7787.37742 3109.490796 4034.736932 9446.802185 5719.413599 3912.307344 5081.73062 10757.05467 3801.045843 3242.163716 3093.893535 5963.305399 37591.86715 36303.86536 41689.82893 37503.31253 45602.92903 60526.63721 12819.14311 16224.31554 36675.77448 22467.67935 27891.26194 29320.86462 24250.16747 25458.24727 37704.89398 37208.99745 23173.87785 42728.10856 21636.28813 14917.38414 20598.2495 15620.60884 4046.596526 15144.00724 5135.216887 6621.278079 7275.976569 3836.97767 6255.739492 6232.413424 7914.446689 9182.007754 10991.05607 3884.184832 5838.586728 8203.961872 3416.985883 5158.143596 8495.017987 4723.945814 2956.528763 9134.492201 4218.450031 3026.574623 3605.321291 7691.767867 5429.764747 6279.808435 38699.98706 42510.29258 41009.75922 36314.21311 105349.2504 40567.8086 45951.08761 24437.89666 33115.44712 35558.64345 33901.45285 44719.77908 29596.22546 48030.96477 35327.58195 38728.0385 52227.16626 32299.70273 34837.80816 33786.76999 54723.84427 13951.52804 6964.842281 15896.34799 3141.838334 6571.767875 2783.785394 7061.557868 4903.46647 7229.930538 2056.950035 5576.031721 4647.998202 3749.829585 3273.301297 5393.348499 5990.431942 4415.836113 6797.035475 5002.563038 4364.212058 7266.164122 4605.169861 6026.494024 5989.577904 5652.270721 5748.146091 5596.201239 39959.6957 23308.66682 41443.92094 70663.2803 32768.94234 27518.53366 21765.15682 35161.22973 43089.45938 45950.12202 30911.95223 46601.03165 29679.33726 43879.72789 39406.85575 41934.31754 42808.46731 38281.18641 24240.12482 33846.77848 18485.46063 15138.85455 7149.556206 16440.79246 Palmitoleic PAR 85094.54835 67700.78211 93723.12268 417066.0029 378372.9893 395095.6706 360800.2435 499830.4055 365565.8925 341203.7402 3469470.447 385683.8113 391401.3915 399827.8868 370125.9106 441242.0854 336374.0966 599801.0517 3312658.1 377354.8902 375770.509 368041.6011 363486.2464 412141.5567 367906.2596 377179.4612 3713979.402 2852934.148 2214908.598 2210039.783 3135319.723 2240521.096 1954188.423 3029287.734 2867880.599 3159284.431 2836526.48 2878187.399 2722129.978 2621291.307 2960419.475 2561018.473 2660862.296 2830195.387 3055634.021 2786751.333 3166465.232 3497584.66 93018.764 40665.57924 82739.02917 400463.0009 410793.3583 408775.2019 360170.1635 460607.6203 270930.7162 243166.0998 299288.8128 411435.9063 425697.4597 370327.3119 324793.6691 450607.0997 328272.627 238957.159 238716.9428 375602.5598 423823.358 369135.3239 347320.1937 416834.3481 257117.194 267186.8924 291786.5167 2929992.549 3398730.858 2632989.274 3158299.131 2271220.233 3163080.161 3624056.737 2991452.671 2745350.053 3212791.47 2760299.376 2883168.596 3185739.347 3590941.402 2296663.163 2581960.257 3175349.627 3443886.556 2737660.974 3204529.099 3625626.271 84137.62435 46009.00087 89797.13634 423616.9936 415998.0938 359278.8055 600029.7625 473023.643 934255.2361 216058.1847 350686.6583 400662.3371 384729.62 360804.6101 334585.852 457992.5982 236499.2505 280122.6983 296587.4867 362503.2381 394223.627 382181.0596 349586.7528 431564.9664 254508.0273 243407.5128 277179.4606 3495736.495 5780526.326 3348472.317 3429580.004 2864110.247 3003491.171 3417867.698 3422399.81 3378183.314 3468725.797 3151376.378 3370161.461 3238197.121 4191402.176 3209426.388 3022238.995 3093829.189 2983824.509 2717824.173 3025260.763 3440944.853 90632.90554 40428.81439 91378.78266 Palmitic PAR 6658021.061 2720268.48 4450779.04 15126092.87 5801333.835 7067221.221 4880361.141 9104972.165 6403980.474 8467631.487 11916776.99 7267895.493 2878070.059 10884037.54 5119737.043 10383065.3 3361638.879 3996877.283 10121144.85 5035386.563 3460298.418 3167745.644 4680626.721 4593899.476 7184327.929 7724954.098 15357502.48 15040015.59 17535432.58 11445969.81 30706786.72 13361725.35 14379390.41 10091943.59 14818931.71 27839294.24 11070011.51 13684867.29 18204320.33 17119173.61 12699834.44 11750757.74 13245238.66 10179680.86 24438310.34 11571960.08 39973470.39 11659258.76 680210.3179 558246.5494 465425.6378 4472445.32 4237853.799 4049023.742 2585140.747 7766823.238 2407974.236 3559764.209 10615048.85 6393341.326 7909442.954 3530655.562 2463574.651 10208952.03 4662903.736 4300797.577 3879725.637 4010316.417 7644350.748 3533870.507 4803270.59 4326376.137 2627209.984 4544562.403 3511771.056 15997627 21135229.22 11838281.93 17014077.63 33729623.3 23179466.3 12579965.25 11541016.5 10991158.19 33461938.35 16146473.61 26695184.31 12080028 11535316.24 10264477.93 9789514.402 12384302.13 21428659.62 18696533.37 11565590.36 11853985.14 465412.8095 514189.0461 491671.1284 4043775.763 8975877.543 2976933.531 4285389.212 8294642.559 5320555.16 1666990.731 5974992.779 4469960.167 3438293.476 3416016.437 2457157.286 10618058.53 2207647.035 11065771.34 4634851.79 2635850.977 3203495.154 2962679.201 2686440.748 4532076.095 2046001.831 2819267.113 9430871.331 15760965.01 17275832.4 23927578.55 32913370.64 13930952.96 14257294.06 11086020.3 18206667.76 16698135.29 19876610.87 18709708.08 40359479.5 14128143.5 22098231.68 18172011.48 15551104.05 12260022.79 15841882.8 15378965.58 18824722.41 14641992.84 436760.9772 504769.4406 519705.6932 Stearic PAR 190454.3409 135158.3593 103434.9448 382441.2718 216286.6097 244200.6906 216135.8352 491823.6043 239703.0905 325448.8928 641210.5455 258345.7968 231856.8585 287166.4324 239051.0175 385583.5504 176997.0579 317975.2434 626456.7459 201375.7351 173774.4219 186124.3922 242330.5291 308889.7892 295912.2802 281954.7208 736444.689 623638.5772 567627.7917 525844.2377 980348.3883 511478.0069 559202.0879 528700.6201 532020.3258 789649.636 461821.2399 517416.9086 581538.9842 622392.7378 606798.1146 514522.1368 506770.7 501746.8146 911777.0578 489009.7063 1033419.467 645474.0676 53881.3612 98638.05199 44117.971 205895.9443 210749.8956 219529.7092 189699.5399 365725.3229 197974.8511 208548.3647 320643.0672 242647.2015 266862.1556 197832.1377 192670.2704 374252.7489 270577.9388 208334.964 215169.3315 205165.9003 266779.5416 204786.4036 204879.957 301807.3189 195890.8592 223319.3617 215290.52 554669.0869 652494.4803 462693.6432 611514.8692 920881.232 920782.436 654731.052 470675.1402 516884.2542 846524.1678 565964.7447 775329.6754 658779.2783 641069.5532 412366.5005 412279.996 587582.1529 713282.4695 694744.0864 721049.4119 637115.5654 49068.84378 82103.55192 50120.33881 222708.3131 291608.7264 203145.9242 356580.1973 379281.1554 1350162.329 155863.1473 286609.188 208270.4305 211820.8474 216598.7016 192060.3391 406478.1072 182576.1223 312802.1912 230025.9272 175809.6888 179881.956 180605.7644 207769.9273 319957.3665 182452.4569 208219.96 267065.8527 574955.1455 1897443.109 645354.7211 890205.7424 783978.8359 655381.4077 597780.0006 606598.0507 615917.6662 634177.782 686263.8647 1030491.271 600608.5548 845648.4092 642273.8868 512533.5165 514052.9484 576744.7206 573419.5302 685065.911 659297.3343 49165.71884 45203.15642 46717.1435 Penicillin G 289 3696.0355 1856.653 4366.21 26366317.96 26691527.41 26293691.67 25656801.18 38863980.54 25951088.82 24733970.21 24234241.39 26938204.09 25663436.53 25981652.2 25842945.84 38868891.88 26235219.52 25455473.41 24718209.59 25696207.98 25594126.04 25794677.48 26104243.38 38390417.43 26164815.25 24657623.05 24858937.91 13925890.65 12506590.15 7840593.036 11477763.04 12346868.63 9846168.15 461256.418 12557520.27 12769984.47 7122952.03 10498499.64 11091851.8 6773614.583 433005.417 10995965.1 8999815.204 5442329.761 9420418.481 8549219.75 5807244.103 441027.979 3861.788 4014.8325 4910.156 26593519.7 26486375.93 26275692.25 26818994.38 38094296.74 26339267.9 26789955.78 26400443.91 26804683.61 25616372.26 24965110.96 25580203.75 39070078.09 26949583.51 26670122.03 26698369.82 26273974.39 27153294.42 26246566.39 25802759.98 39230867.45 26642208.17 25555161.99 25681286.34 13096209.38 5519866.23 6555686.896 9336455.699 11973467.62 10283503.73 10254700.96 9393129.255 7472745.775 8220750.836 6932854.142 9787570.388 10140881.21 8905323.981 8802786.433 8077729.226 7725686.231 7181003.585 6323225.743 8579809.65 6302658.86 2636.768 3493.0275 4239.074 27083688.95 25646153.58 26203133.44 26449183.41 38745092.55 25774315.45 26360887.16 25645867.77 26252490.94 25658503.96 25518125.06 25841907.65 38799432.47 26656338.27 26523950.91 26145488.2 26339666.19 25589667.57 25884984.28 26507944.85 37979138.71 26625488.87 25347375.99 25477814.45 11038050.1 10210384.92 8719624.271 11172884 7370147.32 7552513.662 8495857.248 9929145.545 9728281.202 11115377.5 7737516.411 9282823.682 11446338.42 9616229.451 8501764.864 6103003.589 8149626.307 9565720.355 9346763.734 9040026.57 7922395.714 3526.532 2580.0405 4086.045 Phenol Red 93 251.479 22653906.8 368.8805 13350786.23 13151277.28 12922943.44 11784431.16 11292280.37 12240880.57 12086484.27 12151738.34 12196171.83 12209966.5 12073345.37 12527568.74 12239024.86 12630557.66 12665464.66 12255373.97 12414554.01 12496295.62 12656581.64 12570756.61 12243286.96 13185747.45 11778563.46 12503195.39 4288956.381 3662358.802 2078047.848 3592647.049 3715786.519 3004437.576 86928.5565 3971055.115 3978344.59 2122064.422 3328194.555 3416170.934 2286716.244 84599.375 3356872.146 2773193.622 1548658.541 3007671.918 2310811.823 1868036.76 88316.7145 127.3725 22815279.18 279.3635 13632262.34 12906947.39 12329412.26 12597898.82 11589213.63 12680143.91 12800274.16 12675089.02 12987728.75 12039412.38 11889513.2 12229963.08 12221460.16 12060268.35 12551245.27 12151967.12 12286580.32 12370934.67 11783008.27 12093919.47 12494055.81 12642096.83 12185127.36 12392942.01 4225487.3 1504652.308 1947049.135 2663304.73 3200555.758 3053078.394 2753750.545 3003811.064 2302692.913 2426556.308 1955054.922 2769354.082 3115473.057 2413870.187 2561883.476 2225232.866 2280475.186 2086384.373 1629869.82 2505643.911 1744133.497 22971053.44 292.579 13897224.43 12177999.69 12827458.62 12442132.26 11847601.21 12481748.41 12566445.58 12037092.18 12525373.63 12844225.21 12628434.78 12423155.33 12572399.74 12624753.61 12688820.55 11773748.86 12832715.13 12566986.83 12490050.01 12589875.32 12566956.06 12818354.2 12746659.68 12159454.76 3815688.373 3216430.127 2571378.902 3465867.833 2212607.705 2194472.377 2570556.488 3467366.609 3084225.046 3776320.524 2363412.394 2959836.518 3687250.779 3099202.425 2696096.994 1814622.825 2530746.958 3012436.797 3006252.178 2743170.922 2308183.101 22861628.72 Phenol Red 195 14271772.86 7736154.864 7316503.506 7377088.865 6996076.824 6738296.775 7261007.382 7001586.987 7050169.143 6907854.94 7801142.383 6849144.604 6982881.454 6799720.786 7280655.92 7087591.257 6776582.878 7138337.565 7027155.059 7017070.55 7086292.883 6941163.689 7352284.616 7438120.215 7146613.958 2853346.187 2252547.466 1324173.89 2196273.298 2318913.879 1886630.779 3036.191 2519204.715 2468375.544 1378320.145 2060515.103 2097324.733 1430980.723 8650.165 2179842.032 1718054.888 961021.836 1776117.532 1426555.243 1143921.649 5517.8965 13631048.39 7719699.523 7137826.263 6942865.179 7536408.289 6635941.898 7225195.233 7191017.348 7204061.434 7520432.757 6926709.725 6889564.34 7076549.241 6863792.733 6935138.004 7327440.027 7180010.231 7151280.8 7096004.554 7036107.532 7030409.259 6857427.584 7171983.745 7024074.722 7134692.005 2592449.159 930012.7981 1229399.103 1644751.888 1994460.27 1867441.285 1759994.973 1851631.544 1407250.217 1577133.989 1255139.859 1811751.415 1873776.657 1530893.011 1577227.935 1440487.828 1454188.954 1316553.333 1048006.641 1541163.173 1095910.301 14201495.08 8015841.39 7243809.113 7055756.579 7112025.854 6964147.091 7915666.26 7393395.299 6819143.619 7021033.263 7272974.748 7252516.36 7305148.195 7226115.732 7402155.857 7254586.191 6834980.393 7094835.169 7292265.971 7127101.075 7161978.356 7388125.16 7291470.22 7168428.916 7082402.004 2349402.444 2017263.808 1650364.327 2153098.498 1346574.576 1356511.344 1633083.531 2110338.202 1947141.62 2288381.889 1454319.065 1879416.519 2273907.251 1913887.848 1781423.998 1104809.377 1583433.516 1910174.646 1888733.222 1746090.88 1541793.499 13931380.52 Riboflavin 243 452.769781 9434.396503 1093.928904 11097.5687 6118.312745 10008.99223 11381.09334 6216.893722 7943.762438 9324.456771 6199.604481 12221.01223 7597.810762 7451.01175 10956.38978 12211.61544 6377.997373 7377.83754 8487.259369 6845.340302 10909.53049 11959.39984 7904.389079 5089.662395 5883.839894 5411.336593 7500.855344 12299.40736 12357.48065 11335.79664 11991.56597 12106.77111 10413.94312 893.0183705 8482.589086 10543.42421 12082.8803 11664.76214 10446.5442 9062.988313 1619.522587 12265.24211 12564.19478 11145.93 11921.79035 9688.74449 7314.210422 694.2224356 461.2726021 12406.97626 665.0774185 7615.930685 7403.02001 6778.190292 7518.589897 4821.795754 9147.547701 4629.641445 6722.130927 7354.063503 6613.343472 4154.056338 7799.535187 5502.350475 7366.891041 7017.999103 5937.823544 5923.537632 6515.673619 8506.5411 4788.438647 5209.498427 5108.647358 8534.457192 6008.335265 12164.38894 9467.271795 9790.578707 7476.593208 8518.43401 7426.596507 8988.512939 9528.402901 9973.926173 11178.61795 4541.714976 8092.771129 9399.802574 9789.199263 7551.586887 11621.5166 8666.894034 7637.244964 6227.880459 9357.047122 5417.004605 864.5667014 12240.41529 460.7128475 4632.659794 5202.69481 2720.973165 5274.793996 4071.332046 6956.937968 4211.601116 4923.036532 4720.54832 6162.500492 4561.147361 4638.010832 4918.117687 6024.706561 6175.387506 5111.813025 4965.701601 7372.709709 5481.855417 4539.678529 4687.43685 6906.467677 4954.996802 3420.461306 10268.84783 9659.575348 9386.183908 10899.93702 5465.941058 7125.271091 6341.502837 10168.49503 8014.953294 9846.190693 8002.635011 6818.347656 8265.52278 6592.390051 9658.082141 9262.10059 9892.478405 7021.165566 5962.195622 5898.90065 7475.64295 633.440776 9778.743179 470.5350872 Pemetrexed 297 1393.481485 1202.076844 2415.064405 781.6438743 1964.826192 2826.682916 1157.099065 851.959922 862.7222748 1218.618247 1516.312944 711.2606838 401.0150669 1082.444864 441.0090478 1637.978852 1057.050306 979.4475639 1251.00231 2222.878725 1912.684495 1146.158791 640.4568169 1565.480727 1163.281992 1383.427673 3465.833312 196.531567 204.0904343 462.1227713 343.6028219 643.742959 1042.313829 1099.941929 692.8032655 671.0984571 342.070649 963.8274089 520.3427845 507.7491698 1593.283306 183.8143049 520.4195574 2082.700846 640.3557739 333.4075872 685.8240238 1329.320114 1936.757375 1218.907561 1284.405139 746.9296855 741.3349276 1836.442121 1063.659502 1418.569669 2051.605099 626.7559012 1020.916177 1997.127955 1279.712274 2329.565362 1364.52189 2991.042493 576.5636805 1818.746434 786.5897581 408.5598731 811.3930716 1714.265871 990.5329534 465.9626545 807.6425301 2096.96283 1204.81692 1360.032243 1463.674346 749.1450559 1434.69917 1195.788198 378.7646597 1637.930365 873.5866222 1127.793645 463.6996466 595.2625322 1024.154674 840.791199 868.1297632 502.8142898 376.7244327 563.296693 567.8111573 858.4564 862.4570058 1330.97578 2349.311582 1648.552331 2403.133683 1010.398912 2023.950366 1874.399341 888.6032319 1146.90834 1253.344562 1729.356738 996.6614408 984.582882 1976.427575 1460.06388 585.7998696 2137.803245 1568.441791 309.2916148 2892.246158 844.0243815 1307.837259 514.6051241 1374.050247 979.9672133 1720.399701 1427.568785 1440.015762 680.6186099 832.5172228 826.9609309 1462.944949 699.935039 1019.799716 821.9002363 683.4597756 669.6050217 409.6727264 358.9729796 498.3754137 806.1186708 1451.33569 520.5748619 930.9883975 1263.026233 522.7239502 785.3589622 530.6655054 699.9643471 1847.85336 1277.869526 1104.553677 Pemetrexed 321 308.367973 139.1337125 530.0506642 585.1633249 157.6172012 160.1683139 193.8118614 113.3042624 340.263041 274.5328464 184.2643275 137.2753463 216.966372 362.8739995 153.3796805 781.7890609 157.415268 168.2101756 399.1615788 158.6262084 164.2614721 173.375315 161.4253271 170.7484393 142.1926354 220.3070546 186.5811915 185.3545064 166.2954674 454.0283319 164.2081094 192.7877565 134.0820796 136.3812661 210.1588698 142.2524642 171.6327498 375.5802733 154.4568503 550.3674306 156.9175387 187.1993736 190.6462124 352.1924454 173.1954211 178.7053139 153.1124621 172.7956145 341.4177405 522.7250604 162.978126 178.4535987 181.4871659 176.4132858 254.9037695 254.5861929 175.1928481 232.8487476 168.0036022 237.6159216 150.7038808 168.3820637 170.4927303 168.8957632 141.606884 315.4730959 168.99334 328.7099898 140.5524126 307.8124838 190.4238808 200.5829862 180.5985562 408.5773107 168.0318842 193.9304242 133.1607365 170.5236788 361.6018767 173.8122267 160.5442865 164.6294147 165.7326842 167.1061076 164.6123695 297.1401098 503.7797798 368.5808217 186.4686153 457.3388362 Folic 311 922.4544609 1663399.866 2095.999811 719125.2367 713020.9346 654120.1431 655123.1 670043.7335 689525.7814 662100.9738 632384.1945 661766.5443 627134.513 649442.6239 675620.6968 638929.8912 683874.6248 699404.5388 630309.666 697160.383 645549.0983 672140.4995 657698.4382 623922.5013 725727.6231 678081.7729 652612.2746 312847.8607 256659.4699 146501.4329 248120.7407 241602.382 179249.2492 7737.40314 295917.894 274148.5352 153208.6005 228269.0198 245205.1629 172855.3527 11472.85881 243716.7028 207428.936 130945.4133 205244.3936 187148.0585 151522.5314 11053.62216 2726.736169 1490809.365 3040.180267 675221.9839 607714.8477 656721.5119 641666.0594 633038.3535 649460.6386 645049.9418 648284.5915 653731.9683 639122.5006 663397.4542 706716.0586 676504.0554 656233.4824 644202.1934 647539.5181 654470.6228 668049.4583 640657.0339 636333.7508 635487.3051 636611.9737 692497.1369 684506.3051 284529.7535 118228.9635 155374.9768 198287.2081 250803.1408 221624.8632 202913.6537 211467.8111 162142.9446 203457.2933 156173.1049 203708.0624 221985.255 194062.8685 185793.703 166185.7292 181602.3653 161451.6608 139191.0221 195264.5714 130529.6629 1228.44277 1584797.62 1643.073871 673954.5254 679889.6474 684234.0317 655613.6062 646109.1521 675261.6479 711881.2534 682895.4531 706538.7728 694783.7156 683729.5798 667591.8245 673348.3696 648243.8925 656539.3752 664716.6494 690527.0269 667369.56 700042.0468 669469.0765 684085.934 668911.9511 661506.8574 658671.8201 251314.0233 227000.1955 191520.6016 249857.0755 167035.14 161253.2059 189158.7391 221776.0845 228743.4873 262042.7438 176553.8442 203273.4905 286292.1372 229505.4603 212437.2347 136764.5747 197250.6966 231780.5026 213930.8524 231444.6621 177836.9391 2333.498586 1606875.79 1675.786056 GSSG 306 5496.142778 7120.227056 2216.237566 4697.963863 7177.506048 6822.024804 5325.238106 4712.722335 4919.966521 7307.856279 4330.300792 4867.301047 3157.866472 5890.509426 3758.973292 3091.344686 4393.364889 5365.019257 2722.489056 4651.375804 3747.909895 3118.109824 4451.133296 2794.664833 4638.399598 5592.31948 3754.347971 6890181.446 4284957.777 3371739.153 16222594.52 4439079.141 6420089.199 63910.00246 5043256.679 18104478.82 5721370.543 15889793.96 18762245.01 18943483.03 101001.4062 3873039.814 4508408.71 2111908.63 16726074.11 16525319.86 19558996.78 112989.8281 35084.92319 24123.37174 15004.62498 21106.57706 16477.47657 13327.07213 11998.11115 11345.28579 10032.51825 9813.883626 8966.650084 10681.19206 9627.577556 6884.188969 7929.022615 6297.697 8743.738658 6821.674428 8737.501778 8115.287943 7964.754233 5825.78982 5981.657971 4082.676475 7872.125957 5250.579165 4779.485924 14506591.06 8967832.653 4958721.014 15758976.3 8946047.552 19485526.83 8296161.118 17879473.08 8359206.086 17502266.56 16127796.15 18432369.83 16119430.27 6286507.766 6443816.973 5170601.976 7864864.702 15884812.75 12691185.42 17410711.75 5515974.501 35085.23783 24747.71502 14592.49714 17878.35113 18880.18659 15105.71617 16106.10682 12549.50814 13470.20759 11307.92789 11247.62283 9455.997293 10642.11938 9960.50109 9173.210832 9107.61955 8688.077247 9018.506856 8468.755837 10721.72943 7332.153888 8406.839846 5399.166619 6161.219475 5767.355735 6874.371117 6359.917882 20438683.06 70875249.32 19325922.39 19019382.94 14457553.92 14700893.85 17289637.41 20826119.74 18133227.01 20127863.11 16033560.07 16447905.1 22501384.11 21454285.5 16945263.17 16327582.42 15364904.41 19070340.07 18468981.41 19488079.15 17549326.69 64617.95223 37432.93564 24918.44862 GSSG 179 71.57934688 172.7470437 165.3076895 112.202024 568.4757812 401.3452937 223.0376726 275.4172984 399.8505725 478.146795 354.1815444 169.5402945 333.0617178 238.6338846 66.36873382 181.3358583 31.92732976 97.73672918 19.13193316 207.2706922 366.3260024 161.2953556 68.25832164 492.6957596 307.9092745 208.1948248 645587.5201 419615.1677 322972.8643 1542064.369 414579.5029 606320.0391 7784.277422 464694.5535 1709066.605 542283.5749 1497676.006 1809845.034 1745836.457 13322.1103 360978.3215 423988.1308 198806.7896 1550734.066 1539216.658 1824010.531 10857.04524 2536.65958 2735.02816 982.1952841 985.4004774 2027.883357 1384.788893 680.4880745 150.7977711 479.142358 532.73812 739.2095854 1801.252959 848.4142754 259.0776018 264.821946 625.0939549 738.0570788 513.878541 612.5874521 735.1216349 922.1074863 735.0398563 174.2773411 365.3603021 171.0261428 476.1219381 365.8368637 1326762.813 841712.3016 455663.7552 1477722.314 847350.3716 1809476.732 777061.0259 1651152.514 785291.6785 1610892.418 1529157.693 1742737.021 1499456.307 586831.3417 597124.4234 491072.2121 727166.3165 1483099.491 1183138.916 1608226.219 515720.4102 4613.23635 1809.148612 1405.780785 1989.251217 1661.998269 1156.76904 1380.627243 507.4229278 1004.353943 1050.231494 1565.7714 1657.330933 791.170564 257.9194829 439.620382 726.1630641 375.9486703 501.4707463 863.8587772 304.1915559 355.7852287 549.0964311 521.6877772 645.903705 274.4502393 75.39490197 389.8598469 1954397.186 7628578.55 1848950.626 1820475.706 1397965.096 1415617.916 1626222.965 2023848.232 1724674.019 1916059.676 1552606.021 1537862.825 2157433.698 2073137.872 1580588.238 1581214.301 1476223.37 1790685.581 1745788.2 1835371.852 1657595.597 5894.450313 3282.124339 3509.127467 NAD+ 540 448.5408041 970.180839 763.3723253 3348.45693 2314.301299 1088.947176 1690.86554 824.9877759 1801.929873 2851.87719 1283.621634 2689.133472 2089.567396 1827.662571 2889.476604 654.7470031 2977.057904 2356.396772 870.5101603 2241.771764 1748.922958 1167.313899 2098.889124 338.9270154 1821.172554 15158.90105 466.8274924 42437456.88 39903693.15 45203468.73 44311068.18 44417472.36 43606141.76 113147.619 44869892.93 42763613.36 45219281.03 42902107.95 41506029.21 40291312.05 106148.8502 39468801.56 42647515.46 42071113.23 41138582.08 41965166.94 33705153.62 116881.7757 3033.150847 3671.906683 1465.778183 2892.946217 1936.655773 3300.641347 7648.212725 1960.544802 1475.94846 2027.597879 3606.159841 12682.73227 1554.937015 1739.084792 1004.467752 934.6914744 1819.397245 1932.35189 983.1116554 2177.371819 2200.177607 1321.992832 1438.611671 1168.910695 1475.139114 1886.195313 2233.828469 43663423.98 45187676.93 45028182.44 45930687.17 44282245.11 45671647.35 48777891.36 40413547.14 40888531.58 41418231.52 41471082.53 39571945.85 43655257.76 50229163.98 38524327.36 44912416.73 48428155.82 43540891.83 41220079.76 45237165.41 47949326.62 5707.810301 5417.62973 2205.061008 3810.388154 7800.191466 4333.015958 3347.223051 1747.409694 2198.00366 2272.399794 16658.59838 2103.369415 1878.906835 6136.706167 4819.20693 1658.832767 1889.488172 1879.892226 1343.839513 1073.638362 1305.042981 2172.606292 1357.353819 516.1176519 2280.984701 1124.202906 546.6535887 41884555.18 50865070.4 45914435.18 43645774.72 40069421.29 38995404.73 39609722.97 38547055.01 45930787.28 39090545.36 39722162.22 42502500.71 39418143.4 44816944.89 40658736.26 42195187.7 42521420.48 36639373.38 38147282.61 37106601.56 39452821.25 3047.955625 2324.002851 3119.512041 NAD+ 273 2298.791487 9154627.868 8337912.097 9600168.995 9399584.314 9700892.885 9381220.244 12584.5752 9456765.866 8818867.443 9735665.174 9246078.214 8703479.449 8684843.075 17140.27211 8389954.719 8836672.59 9077368.377 8704741.603 9050763.176 7020200.666 18621.42067 128.8604064 1227.354965 9509776.118 9639410.316 9423182.488 9801280.868 9359396.943 9704104.856 10520286.82 8655190.183 8869467.841 8632961.203 8621429.653 8128630.744 9493848.493 10637214.84 7957599.351 9409463.786 10402841.21 9103861.95 8369156.285 9530534.465 10289077.6 913.9026304 281.5335065 230.6192448 57.98732237 604.8283709 1137.112608 133.1499356 9039853.963 10879470.54 9873876.751 9094553.322 8433922.385 8314186.39 8255891.747 8196735.357 9590296.042 8145651.48 8100768.84 8868323.669 8226884.098 9483927.908 8608567.975 8952075.661 8652329.352 7651809.779 7903051.34 7843028.931 8263218.447 319.6153537 245.9472973 NADH 408 335.8243734 163.7080014 357.2253007 835.498786 574.0143843 217.426904 260.6874406 305.3653431 528.4117098 633.2344675 608.1453145 234.1271761 588.2176389 379.2592772 301.0924538 687.4871003 601.1319211 676.1723502 314.666198 518.878027 524.3195534 421.4013131 520.4274376 443.1585061 678.3822091 489.4362726 233.1017212 5728311.193 5353980.079 5341793.527 6352444.201 3641050.259 3075922.593 330.4276833 5534896.928 6721779.803 5600280.883 5927645.278 5372265.268 4713738.43 248.4505953 5347712.409 5219088.54 4495612.832 6174672.552 5923617.711 4202591.98 473.3671257 377.7305058 465.4916317 293.2924515 313.4057619 158.4326528 781.9196035 945.1888324 427.3679128 457.7346771 300.1859517 232.6898195 625.2846377 305.6821327 412.7484008 312.4237395 360.5562542 779.2587194 374.4568504 371.7466137 297.4419446 375.2351961 459.7800359 469.6842642 287.5331517 502.9284493 915.0911943 674.3055555 6434461.223 6263788.625 4394454.779 5420665.375 1462657.153 4881741.377 2811203.472 7821775.455 5228353.698 5902779.291 6260022.665 6866273.78 4348708.217 2477427.78 4349045.326 4513543.323 3710001.474 5800854.964 3962955.018 4408799.326 2650644.015 653.2769984 565.4983214 457.4475576 1109.711813 547.4401343 530.4921466 843.2085001 532.3447535 580.639927 793.3047678 680.6971448 989.6498573 422.9903932 1047.498939 837.6372041 547.559509 814.1592315 534.0249958 307.5195062 283.4748767 977.3880367 504.4367008 533.8155531 420.2612611 952.4554294 455.8975552 552.6424587 10161279.35 6648484.854 7447289.77 7135346.342 6452383.236 7111462.246 7376916.099 12798511.99 7527495.431 7263491.362 6958904.619 6369371.029 8631616.176 8644610.646 8786006.146 6991082.235 7103035.875 7491732.303 7539980.374 7394788.155 8231014.704 518.7663618 588.7133944 715.1632953 NADH 335 1632171.643 1610890.392 1564934.081 1903958.037 1073492.246 885510.944 1649419.863 1995207.733 1600986.204 1715720.975 1605587.159 1391321.915 1606222.159 1561937.477 1296355.108 1788964.712 1794173.965 1216027.4 1846312.328 1830925.146 1295617.68 1579995.76 374545.8294 1485201.097 808549.6743 2268863.694 1511490.872 1745918.356 1867520.746 2029364.84 1267192.587 721442.1784 1311335.388 1307200.272 1085953.951 1748246.992 1155090.773 1264614.763 748188.0986 3024069.21 1979568.681 2200522.495 2089193.391 1907370.934 2095211.88 2200680.807 3626542.714 2240776.264 2170204.678 2079089.575 1917146.878 2600175.219 2602839.299 2645330.104 2087355.716 2189338.213 2202808.515 2269256.601 2208975.537 2410200.181 NADPH 408 151.9276029 270.2940215 176.920896 178.8910554 125.8846761 244.2197816 165.4764957 71.49487539 227.9902064 107.6140879 137.4741311 128.200546 107.8633651 284.3066534 259.0300974 221.2775001 300.36961 310.019723 161.347691 278.2274283 127.4433741 341.2928696 213.055808 216.933025 219.6511228 211.019963 110.2672422 40492.74103 40026.18637 603428.7005 50704.90424 675393.8058 394022.7428 780.6270067 120188.7722 45288.27164 50902.21211 42253.15296 46649.14246 49797.95684 326.3176677 474235.169 478155.5354 1291279.064 43249.20514 54856.04457 37530.28132 1099.909647 488.4701951 308.1261671 242.5095853 689.974391 268.7128029 221.2294334 330.7597445 209.950415 296.1736854 456.0007252 254.4806705 216.402566 260.1621899 240.6254891 294.8884201 262.7763506 192.6609932 178.8444746 188.7251849 325.968179 195.145231 355.698504 354.5024387 202.2055916 183.3149683 160.0657287 184.9471074 45263.47141 53402.50999 60676.20866 53301.48891 44708.42415 52528.00118 51884.56286 47111.52143 46670.69288 49234.1975 44579.77754 43160.2127 50707.17335 182329.1161 383531.3553 678424.0327 221029.1526 56346.0858 46015.62633 48867.3047 385814.6943 707.0113141 536.2474626 330.8671896 306.3436378 280.8252281 340.160323 222.7262163 347.2406299 530.3168145 265.5519182 453.4718722 264.4442326 309.3330643 187.3774858 196.4150152 214.9455437 241.5109787 178.5838345 213.9653525 180.0995492 283.7527078 180.5175947 88.76988057 254.8086568 303.4030832 281.2172891 156.1559315 46405.89667 49952.46297 50044.35866 47910.87737 43253.31808 41055.51421 34786.27585 48321.98765 58101.53131 43374.8073 44361.35747 47687.74879 43913.54304 45363.05314 41968.02723 48427.1293 46851.61596 47026.93579 39368.35513 39867.27394 39225.99113 664.410157 321.7352337 369.3019592 NADPH 328 8485.229251 6240.085127 141904.4949 6921.565652 158216.7233 82505.20169 110.6177936 32709.85632 4916.150103 6091.183666 4681.671705 6917.685871 5555.586499 69.63315132 107930.1504 102794.8706 283636.4929 5054.367088 6791.732082 4645.264763 71.44075485 31.84773462 4438.020106 7214.742459 12805.65897 6512.025791 6503.020698 5455.064201 9117.192418 5201.843729 5172.93492 6414.844112 6092.493579 6034.486062 8439.884414 42000.80735 89081.99704 149076.128 46345.2472 7288.381025 6812.231971 7760.19569 86183.09622 35.02871278 28.57876879 35.29366308 36.69373133 70.45122989 5179.23157 6976.811439 7153.736628 7137.968094 5564.931327 5689.913419 1756.961058 5746.16919 5671.092947 6644.01852 6100.174296 6588.451002 5854.943905 6507.067418 6726.229082 4489.988217 6367.398525 5206.034553 5260.743032 5024.816671 6998.365185 37.43256686 42.66971875 Coenzyme A 79 750.8935037 327.4894379 782.996751 1085.624169 669.4297512 982.07074 1473.579982 984.4691595 1565.311805 959.5659838 1909.944192 1194.792926 426.7972578 732.5042589 657.9421601 794.2953136 1214.740499 1532.437941 3707.491709 1998.849142 326.2527791 1941.181502 982.4637567 1231.643512 1944.197254 1733.954078 1783.643209 4165554.357 4416247.854 4898235.162 5126458.778 3944911.345 4556269.281 19238.89453 4793517.337 5144415.522 5357938.283 5637241.597 5290366.605 5299530.704 6405.067227 3985646.809 4787820.379 4278790.332 5116389.24 5441286.335 3933109.203 14660.10135 8743.526655 1847.144403 2222.911703 3574.509078 2091.085135 3179.778527 2764.246524 2348.255043 1387.714401 4626.117448 2734.379547 1338.114484 725.0220514 2873.09946 2280.35954 3089.038282 1438.63541 1973.307328 1929.61247 1817.397517 2713.742894 1121.750977 1244.390623 1344.909896 1515.943504 919.8236903 2000.390804 5027634.878 4904729.861 5414208.663 6318924.558 6533796.276 7524316.997 7466969.073 5143474.117 5007846.019 5098408.87 5820345.942 6450640.156 7035121.136 7421518.079 4022593.189 5182976.409 6941694.358 6414792.024 5877057.978 7255194.494 7320150.048 16692.46177 6081.235832 3551.567945 4084.485056 3653.909734 3499.237932 3660.246067 3848.020168 4417.27571 2492.776089 1595.972803 1264.500272 2019.6778 2750.752233 3506.579209 1299.343332 1761.207957 1497.134302 2626.784274 2164.534198 1337.953022 1386.606114 2935.660893 1458.315373 3079.645879 2015.26997 2161.616795 6366226.55 4265216.9 7137153.733 6755807.849 5971532.419 6005262.37 5728561.247 6688123.8 7034717.095 6041530.275 5702081.843 7286008.751 6688616.057 7270267.897 6088993.945 6256388.99 6154140.453 5614959.228 6359463.475 5931279.257 6130773.815 12963.74796 6425.846846 4416.814792 Coenzyme A 408 175.5125427 89.93510697 162.816359 83.94048027 165.7250917 88.37426596 88.63579225 247.3016904 71.42722332 161.0329938 167.0087374 81.70868746 89.77924526 163.387137 82.94873996 160.2009818 81.97839428 84.20951569 164.9865807 82.62587873 88.78402773 80.14415082 1421646.988 1567875.251 1679634.874 1874565.945 1441842.29 1631427.68 4661.898679 1605370.899 1877985.752 2020793.374 2125168.013 1826051.446 1910273.208 5014.695177 1378728.609 1684145.868 1528063.469 1767270.002 1922295.837 1392323.811 2443.108805 1559.822294 2147.027964 1271.372374 1881.89074 741.4487204 633.2653773 733.2741133 494.1764297 504.9500111 317.5374657 317.0465223 743.3175153 485.725231 336.1967673 111.059405 243.0216098 242.4678579 414.2204779 240.2950743 167.953189 263.6644044 161.4599338 230.8710214 91.53756655 246.5741635 333.816744 403.8081812 1779734.219 1770895.703 1987311.146 2375300.883 2374495.018 2745101.134 2723026.596 1935029.789 1753429.465 1860500.075 2111528.643 2405907.083 2469837.673 2731693.095 1519245.308 1824571.571 2539190.533 2326703.524 2089392.497 2642748.503 2593972.395 8280.304914 4937.35742 1927.756525 3698.583917 2257.837478 1297.420795 1294.215018 980.1937693 817.9956919 844.9629233 362.713372 1915.915694 401.3245594 252.5419889 338.2772939 396.7454016 330.3262251 486.844749 398.9625557 165.3067788 313.8776712 270.4064093 409.9687584 81.3608883 244.51918 331.0588808 582.4291789 2314236.979 1502441.913 2517830.895 2367031.234 2172693.114 2247588.589 2026277.659 2460933.114 2435184.371 2142967.034 2019160.835 2578184.156 2369927.709 2629232.149 2137838.232 2299372.178 2367975.915 1995628.365 2264553.951 2132454.755 2217696.631 6005.84422 8655.344372 1796.887904 FAD 79 1694.713793 1357.156314 1798.670758 4792.787764 5433.783926 5829.03708 4335.673009 3053.124731 4430.13168 5229.341072 3433.722003 3737.810823 5973.397196 5153.642024 3499.742048 3980.297201 6096.999601 5700.409502 4516.659112 5006.384882 4620.916409 3589.994757 4641.727116 6406.185896 3855.631084 6016.388975 6147.54548 4674182.282 3738934.288 4264674.696 4346061.844 4170732.877 4090212.895 222514.3616 5215071.243 4400476.356 5507733.557 4969812.683 4281703.087 4751779.925 220166.2892 4279706.617 4667915.226 4885119.062 4455415.529 4811890.331 3760773.31 335667.0007 2797.475895 1177.304975 2215.271717 5639.237105 3200.676687 3161.597092 6770.219399 6837.055935 5871.868012 4418.955391 2595.535251 6564.484871 4884.362723 5264.034236 3742.738808 4198.204251 3620.289382 4149.020304 3748.782911 3232.223677 5090.204113 4531.568003 3013.436362 3410.181559 2044.834035 6061.196606 5140.945982 5130826.092 5131929.883 4857800.892 4697325.684 4084248.23 4780486.407 4695654.653 4294157.273 4404503.478 4440987.779 4340544.859 3874903.131 4531908.841 4623166.739 3536034.005 4575259.376 5462806.504 4818296.16 4371118.687 4940615.345 4457620.239 6894.924354 1608.640918 5335.757217 6375.392778 2531.034104 3785.278198 3346.293571 4493.222786 2752.149935 2628.497371 4119.361339 4619.096572 4489.15399 3085.048243 7641.349358 7236.486556 4309.049728 4542.932379 3329.391157 4367.63325 5908.747124 6927.470519 4040.224275 5526.99488 2920.581971 1431.443062 2982.488887 4594202.264 4911052.493 4739201.638 4331430.66 4101385.17 3856679.118 3254622.326 4240111.631 4840929.982 4166133.136 4289562.585 4422757.432 3917924.093 4224833.273 4500008.513 4770450.879 4586144.184 3894671.194 3738822.733 3898395.306 3586847.417 12323.62887 1448.72012 6498.676359 FAD 408 384.1640384 347.013464 265.2712769 309.147443 261.8862244 380.1814029 188.6265645 770.599323 468.8668321 442.6647488 114.3881526 346.7539046 297.7543278 423.7717734 142.8250624 439.4885684 230.0530865 381.2880364 189.808877 534.9967279 312.1572141 104.9305239 116.9547815 458.5419568 335402.7763 268229.0329 312528.1144 316711.1208 311053.3736 296265.6143 14550.80658 368615.6552 311605.9854 361455.3615 352855.092 321297.0233 334268.9106 17084.6217 299509.5352 333890.1297 334701.4129 350026.1743 338470.5845 261618.1609 23942.83079 69.17623224 34.34484135 624.1119436 191.7748642 308.889958 192.5417385 184.8656332 301.1052036 189.3507668 151.9233067 538.4035449 371.0011474 190.9667332 340.2496731 259.9079982 304.5316221 265.1113799 111.4259346 55.51184192 227.9397823 674.9500268 459.042519 360.1634773 229.898594 232.8370192 410.050304 362820.4062 379652.2411 351989.1187 332067.4803 288950.2792 342035.4745 343416.4545 316563.2189 319876.9727 314768.4099 305250.2233 281225.7479 331529.545 337647.3496 259425.994 324389.5526 387949.2884 344656.9772 317637.3303 348773.4713 332111.3767 608.6783381 246.1843081 349.7689383 499.0081097 585.5629373 532.0184808 197.4129127 288.2018164 538.5217975 234.2762459 404.0067547 312.1426067 261.6679915 681.6919225 393.8204398 346.9626691 491.6524422 537.5031893 345.6350306 458.7267699 480.0717272 567.4895149 537.0068607 308.6499733 349.1401263 301.9920347 347932.997 347003.0957 334752.0683 318914.0922 292875.2468 275403.424 230995.4817 302927.7121 358578.5474 298370.5193 301487.4138 319871.0776 279707.8525 313755.2906 310329.17 350090.2154 330538.8916 269935.8709 268476.0862 287358.5027 256349.2693 755.1280534 71.44164543 627.9496429 Acetyl-CoA 79 520.8707203 367.1075889 536.5396354 429.9051441 782.0471917 394.1581974 674.9926026 573.9097673 927.6973828 383.1933255 4300.633455 600.5533204 1011.869538 798.6802591 794.7708971 834.6689977 1102.890349 833.341863 1319.750432 564.8445519 693.3418047 793.2957327 462.6037443 1400.66982 616.5446428 780.8620531 2500.082641 4596455.285 3800175.626 4727522.033 4764040.41 4296068.392 3970870.786 5051.0943 5231132.834 4606537.055 5712722.316 5243027.517 4584573.339 4577622.509 7210.065888 4289432.136 4735080.968 5063636.028 4746529.114 5095283.863 3409390.287 11134.98029 1497.17039 708.458506 825.1349817 921.5389949 1405.913654 1102.162828 2110.839997 1038.731214 989.2990317 1154.690087 658.5055111 1089.301871 1094.610335 1090.871418 465.8095279 1176.151494 446.6975638 2041.646396 1055.585459 483.2238848 1350.780293 897.3324498 868.3399818 827.4148124 522.1338201 944.728312 389.7754178 4610498.693 5167736.874 5510711.106 4836807.892 6039294.805 7209771.019 8550096.394 4237553.415 4804515.826 4809687.861 4473680.276 5120778.603 7454193.851 8688781.583 4064094.654 5410347.714 5777767.023 4811335.957 6016465.721 7173087.899 8519179.067 4322.079957 2107.109178 2133.748331 939.9041305 1085.238847 1541.376453 2115.729249 678.9160357 1838.687504 753.0118595 1034.902194 1226.778722 782.4703684 1006.680046 684.9766998 1321.977109 956.8346819 560.0797685 709.0773538 848.396861 555.1080248 1187.7932 566.8841934 694.6521085 862.054305 548.0510363 915.6783585 3747862.122 4221988.688 4250491.559 4201815.859 4549218.63 4794290.825 5096250.081 3557230.261 4596604.125 3876737.544 4094475.407 5009354.3 5150548.224 5793163.434 4219864.663 4198090.013 4569476.815 3686780.764 4193148.475 4513871.5 5121665.27 2370.405404 2076.706587 572.5137778 Acetyl-CoA 408 51.64589261 78.2160278 74.55204346 171.2915274 79.5309283 185.2066569 66.55043695 66.0848239 236.1946079 131.1161674 68.8436682 73.08168224 78.0706174 103.2348401 124.1871731 76.49522906 92.45709984 109.9151452 71.91481742 64.50438189 53.61165833 69.3245581 60.86567448 1721928.03 1509034.289 1822590.363 1895772.333 1681006.941 1525476.858 1313.304917 1993995.003 1809241.173 2113300.156 2018393.419 1754554.144 1797316.93 2184.80714 1664702.719 1825731.3 2041805.387 1870633.693 1972963.561 1299857.182 931.8104673 406.4612645 384.5419605 97.94478107 112.4107144 237.3527324 136.7825154 169.4045445 167.865267 255.1737573 65.18332582 67.39074127 107.8690829 166.6776283 192.7553837 126.4344039 73.49594894 64.03613653 116.6008712 51.57788396 69.6609303 130.3133079 55.22470207 1858884.783 2103942.993 2141253.487 2002545.938 2311205.369 2787748.2 3421279.127 1719410.888 1922841.09 1913626.461 1768788.83 2006111.821 2994526.649 3547585.472 1633315.691 2100630.59 2282960.006 1922430.579 2326510.404 2804405.357 3381182.187 1905.573078 1161.229195 247.9282926 402.7239386 404.747684 205.6626281 826.3372678 134.6765072 131.9730429 312.7319054 283.8787701 182.7100394 296.361763 86.07782926 205.4853701 134.3275563 233.8047302 203.5125411 196.5498387 151.3869852 106.656552 271.7512766 82.02834283 85.29949931 216.0641389 109.1080518 134.0591708 1490261.228 1661053.066 1688308.828 1678227.412 1810678.572 1904005.225 2050426.665 1409565.972 1815839.601 1562042.23 1619767.536 1966616.957 1998151.883 2341878.579 1634943.084 1681104.483 1741193.389 1461245.13 1700644.691 1725363.262 2021415.095 661.662655 272.3178994 147.8511405 Acetyl-CoA 461 62.59989156 81.12407491 55.77049075 66.44155356 139.4792299 61.69853363 130.6926894 66.96244009 126.6137451 70.58768368 54.74456564 182.0673101 65.12217233 65.93065341 112.3573755 136.1756616 69.09272714 57.16430046 73.12831907 84.21072191 132.7862042 1271752.306 1071764.191 1355487.88 1342687.944 1205303.045 1116304.237 1418.177745 1498078.486 1309089.47 1578857.136 1508881.543 1316838.296 1328433.896 1597.653543 1269855.315 1351397.063 1459335.289 1354053.318 1453337.013 980453.5171 701.5905517 485.3168651 247.1681356 354.068005 196.7384655 164.2386965 176.4498691 71.35010523 212.0744298 140.9434361 56.62174442 54.94997759 164.4854224 142.6501277 62.8196095 267.9128048 55.49176641 66.84124878 52.86731947 58.32438352 52.96242146 336.5958715 159.8940975 104.340301 209.8692383 148.0908935 55.22470207 1328718.528 1572291.589 1542054.086 1486036.188 1805741.178 2070274.314 2498845.108 1268599.131 1436396.435 1391151.395 1306741.542 1523971.53 2082966.861 2648248.41 1194392.642 1575773.277 1655581.425 1458437.643 1761079.169 2106705.548 2468109.852 1255.448689 1066.034729 312.2949926 593.8265502 348.9726047 455.200162 477.2178839 196.6216603 93.55632372 219.5277016 75.06684139 249.4593175 178.4855194 64.54535793 162.263538 116.2398012 157.8624558 408.1482711 427.1096195 60.07022264 71.18015187 107.9956273 160.9049882 181.6163914 93.47134654 1051573.821 1225742.405 1262339.81 1270337.502 1306667.966 1387404.951 1507601.637 1054620.55 1326002.206 1139453.374 1218458.994 1460894.647 1488726.058 1676914.357 1201164.997 1249089.961 1318191.046 1081498.946 1272996.794 1347917.456 1496839.78 862.3017482 661.4059249 152.2526042 Propionyl-CoA 408 381.6777623 229.7246318 197.8262692 296.396926 217.2954609 299.2560134 302.440704 141.0875775 624.9263931 893.628305 399.0597656 308.1556502 556.6967676 651.7712825 633.3895367 580.6497697 298.415978 203.0061417 706.9603183 174.8806178 177.2267608 605.6549203 298.368572 377.1628848 744.2980317 170.4029609 285.8016382 67269.97249 49849.58965 67603.46294 83430.29807 64327.4062 74786.97455 207.7478651 72971.96777 57686.49859 78530.35813 92264.97078 81788.96301 97573.38192 230.1508717 63454.71522 61663.14057 79353.04343 81352.26655 99758.74443 84345.33833 411.1771406 234.0095746 442.0399921 329.8173538 372.7391997 254.2067508 385.4941814 432.0988416 1004.262644 629.8849385 367.2356291 645.6811025 1658.947878 176.7386947 466.6162163 320.6393565 480.8426298 526.0008817 472.6952429 448.1518546 212.6770528 393.4105588 192.7504985 720.7802417 236.322739 197.7132655 514.5205542 490.6239314 76732.95985 97073.20344 84855.22383 94348.83286 94956.76699 111499.6195 125873.2364 69956.28269 66992.6236 88870.89346 80147.49021 97910.47699 115447.9826 125874.8738 64728.83173 87118.42224 99703.76245 98643.69456 115218.1801 109554.4705 130816.358 204.3150958 309.6932578 313.4812046 429.0178955 333.1080586 1415.599737 386.4196094 455.572185 391.4235554 323.6484681 357.4163301 343.5406916 294.2338559 402.305897 227.5894906 674.3516488 382.8726032 489.6364569 400.8893546 237.0018677 389.7599676 424.5168101 348.0416983 288.8643344 470.6845119 345.9375277 512.0189946 54520.18011 63322.90846 69917.78447 73406.11887 77734.43421 82422.75582 85280.28584 50491.27414 63891.58044 50549.01131 68391.62938 88666.73248 76650.41603 100399.5082 59125.05051 60737.47649 67485.5395 59741.25273 64782.37847 72994.56406 88907.94492 199.2219009 849.4008254 365.3147251 Butyryl-CoA 79 887.5743565 270.7381502 269.1504744 522.3695309 368.9139519 608.9653646 737.4734518 475.9390647 678.6315204 748.83268 1347.453151 1011.296191 685.8282049 1005.821316 847.2646143 398.0512495 532.8025432 605.8922157 877.3735825 949.1183332 822.0080511 385.2512661 549.3734402 519.0480209 564.719283 1094.405682 1652.403666 536514.3136 424561.6515 431684.6494 451003.9137 338930.3189 182780.352 2135.089359 526670.5873 481979.7123 541290.1306 462283.4657 358861.3104 201738.4293 3131.553409 490016.4245 526277.1009 489747.9698 421425.3947 409752.4789 91440.95386 3207.274093 1148.487993 485.3201399 390.6729311 935.1788405 973.5490489 605.3292327 643.3657777 913.2276947 648.9627737 925.8969343 718.9327789 545.1113313 427.4687405 897.6418249 610.3116011 738.9432107 888.8812589 583.881384 1204.132538 671.5462508 630.8824641 799.1892399 631.1518057 644.3288573 795.9980884 850.2396711 468.0583841 531592.2384 510778.8193 437797.9439 343415.1559 130513.93 85335.64008 37678.06031 451006.7959 469074.3588 417363.2618 302814.9488 129211.779 80399.13752 42531.22274 409625.9111 515968.3248 508855.2741 349069.0169 139473.902 75055.78667 21656.89687 836.4627814 692.8496397 519.1122653 791.8749295 554.833632 524.5669779 698.5870202 696.7370824 1704.98069 805.8323913 548.9699011 663.7188669 776.1577656 1068.914484 928.1148937 658.7088353 568.4668928 1140.656335 547.4246019 825.9835842 636.2180689 713.0141769 905.2706804 587.7143537 1472.77754 814.220494 512.5261637 556267.7901 651294.5148 512182.2785 374826.842 111946.7536 45466.70006 26576.67319 519042.4232 602945.5899 414272.2653 351130.1426 119899.2297 51410.15527 37059.11974 610266.8198 583596.3569 492717.8154 317728.7591 99501.16741 41887.72652 29268.20594 679.0422046 389.3290578 605.3844023 Butyryl-CoA 408 44.26501747 36.27366346 37.31764595 160.8011544 80.42376748 80.03197695 157.0887719 186.4630245 40.98352489 85.69144768 116.1084176 96.14235011 91.2892535 205.8674139 42.66390318 80.08645455 169.0806711 227.3309371 202.0015541 261.8188858 125.1489234 242.7788684 79.83858772 185.3405927 37.95534518 53.93761772 112.6700822 211368.4212 174494.3689 180834.4887 181484.8351 136297.9552 73773.45042 217.7784602 224772.3106 195695.3194 212642.2422 175125.6496 144714.3866 83593.85833 232.4663076 199321.1144 205913.3049 194381.3343 175644.2344 170026.924 38271.22046 423.0501174 198.6251178 43.14420489 37.84250897 88.58508294 144.9125413 41.29218493 38.19085858 147.0040262 40.51164729 118.3398089 113.3595065 84.79967826 78.98387479 89.25347421 84.09703216 39.74474424 118.1258159 121.2360349 338.1001131 188.0757802 83.22138091 77.63341979 126.5069374 162.3327205 152.5108216 105.5917791 238.5941931 217549.2326 236237.6619 170501.4971 152092.0018 50505.3313 28341.97834 12776.67644 184359.1396 194284.0351 169078.0176 124230.2033 53307.16304 33881.40778 17456.53954 177188.8906 203870.0445 193332.3479 144791.3549 62238.50067 15700.1286 14775.64412 251.0115004 174.7913018 70.55191096 167.7830354 355.8116191 243.5729655 221.1026741 367.851176 189.9736725 239.4995272 226.414335 300.4498085 121.4758412 260.2943507 186.9648302 545.562459 223.3275412 164.9059153 214.7138317 344.5866267 245.9017764 109.9303474 199.1014305 116.3689551 529.0527716 184.2284042 262.546455 245439.8852 242766.7061 217812.7014 151194.7634 42801.12459 20722.88982 11185.64259 214511.9307 258077.3375 174625.1979 146048.4628 47933.4907 21644.21981 8474.33461 253233.5611 242218.9512 213749.7676 128224.3361 38376.16982 18410.83338 12360.0588 191.2183423 111.4847678 108.3471156 Methylcrotonyl-CoA 79 346.2279894 515.7871002 544.3300895 1369.495598 2015.999832 1183.311504 737.3927743 1345.09367 1814.204866 4747.920268 3901.072171 1955.582915 2036.61337 2478.260003 2867.511676 2133.647294 1466.144979 2309.689426 2940.399909 1146.388052 1191.378059 3345.065399 1334.71521 1432.008458 1879.024991 2946.70928 2574.883927 606044.4918 548580.1365 698462.9816 650421.2842 783623.9369 1138131.529 5739.04574 677725.3861 621700.3825 751910.4344 672644.4575 691648.5815 1037976.282 5220.08768 579832.9736 639855.7799 751264.7102 606380.257 760731.9895 825982.5713 2798.196724 1720.159723 1136.842632 523.3884294 1318.52771 2178.037328 941.3669341 2377.901468 1450.184501 1715.840439 1306.454594 2677.549861 926.6959981 1769.569352 1717.490787 1385.428173 1136.827256 1511.168856 1118.365381 1398.578809 841.53313 1505.962308 936.6982468 1374.850726 1730.536529 1235.487693 1445.116366 1499.505631 607331.9831 723487.1136 717536.872 532362.4056 556167.6776 548539.3434 622090.9916 580103.4651 627087.0113 582570.7319 473510.8448 430244.6554 602814.1106 670018.7689 546811.8039 725826.9197 783259.3261 531377.2043 554190.7843 547659.6532 663383.7048 1019.396902 651.1016142 834.2093702 1782.324009 3191.388841 1918.86272 1963.449141 3249.359768 2602.199734 1914.45078 1130.346773 1736.85619 2713.514197 2103.798059 2724.085306 1401.919851 1136.481638 1801.51347 1776.831961 2299.710349 1791.608302 951.9243651 1828.085306 1145.783905 4127.795543 1108.54019 2571.270939 506392.2382 239583.5145 583900.4797 573281.0842 525748.8347 514156.5518 498480.9172 464829.9692 630522.4279 475390.296 531076.4623 562630.3824 475217.173 598502.843 589121.332 608234.1196 581535.3056 460640.638 460509.677 478606.0298 535400.1595 942.1529585 1160.35506 670.7786282 Methylcrotonyl-CoA 408 78.43140731 167.6625517 110.2073969 151.8482456 158.2631953 154.9222482 189.1425674 179.280083 78.83397332 139.9675114 162.235015 160.4681447 80.66462194 261.4704595 240.8737458 265.0335811 87.83536288 274.7333511 177.3621455 158.4952506 463.6592457 60628.38776 57139.62063 69588.44903 67948.10559 79481.17955 114148.9007 551.7130118 66803.51441 64993.71693 82442.74994 78639.15578 61156.35076 107491.8661 170.1163003 72004.77334 75614.5189 70106.46542 68364.26234 79083.12225 81732.24504 174.6609192 74.84741911 157.1655025 396.5795304 78.66328015 136.0468461 78.95294391 144.0511823 70.63209624 80.64496322 311.587616 78.96265841 127.2160806 179.1454631 158.0338778 157.1022593 157.7924468 290.8048339 202.6783189 79.92722361 83.28520616 130.7001088 72298.22704 74937.95468 81360.79111 59008.61457 63712.23839 61950.75606 72838.50536 56766.05701 67699.50621 64719.29923 55410.93362 45780.47054 66014.24748 77325.01794 64059.28892 89360.05135 88968.88444 64287.79485 59221.57894 60907.59869 64946.16366 146.210135 70.55743687 178.7423103 139.013018 158.2160869 165.7667306 161.6119554 370.3736135 226.5682161 90.01055366 249.391291 240.3008525 331.3796239 234.280669 80.15362284 230.5749536 149.6809805 156.4515067 194.0840576 213.1634994 179.0320869 157.8856906 347.9569872 310.2371921 88.83444369 163.11171 239.7352427 43927.93493 28496.97008 65071.4526 51560.76304 56829.27396 57121.67742 61109.53107 50888.43465 64939.5711 51787.12873 53282.14832 60450.17349 44686.79208 62678.27586 59149.02912 64615.40576 62304.46016 44697.76639 48227.7892 49668.2768 57396.02421 92.14950361 88.8822171 153.2714181 Malonyl-CoA 408 114.13373 292.0295204 157.7218276 195.1632116 186.9487994 174.4842018 213.3198123 260.5334743 140.3874912 266.5546513 162.4283335 299.9273433 188.9788996 72.55910267 210.3915326 192.4837229 162.742094 180.5358939 155.0208776 266.9267933 250.2632847 256.1564662 209.0982777 74.94022137 140.8044682 189.3269092 95.05850347 85904.97111 84263.26142 79690.30922 88664.87578 66290.02237 71445.38533 212.0132414 106278.3003 99710.64399 105388.1402 104267.2036 90666.75175 105107.4264 167.7475219 75899.96433 90271.0357 82682.06276 85591.5169 94643.64406 70972.80602 119.4884554 226.6871276 226.4559626 228.7001265 118.3854505 150.7592678 112.0946733 386.9403958 110.4823445 145.0675052 145.9599723 194.8716185 226.5341286 237.0118602 522.7504644 251.2894633 191.9478942 190.5305817 217.5893783 247.3462878 249.5534752 249.7728362 179.2037172 371.0781372 221.7014801 161.8930278 248.8156543 400.3059251 89054.80815 94950.3582 100076.8268 103881.8097 405774.413 1314784.79 3140327.81 93742.41293 92581.77708 90572.1994 97051.35444 366550.8334 1309897.047 3074322.153 73492.88458 86069.51388 101859.5942 99652.68909 406970.2163 1320936.777 2881840.446 1218.420614 800.5345651 711.379093 332.7248195 362.9132028 279.5190361 190.0484711 192.8292737 198.3315839 307.1004104 615.4248122 163.7555154 278.4103057 384.5382306 254.7170733 326.4561683 218.2442667 338.3970992 261.3185917 179.2448967 289.0350054 268.6468134 189.5785687 137.6817684 228.9877497 210.056151 186.573605 110049.1517 116721.8475 126840.1159 129514.0333 653552.8873 1518517.485 1835058.806 109774.0884 120664.2557 109409.9023 111345.5259 757840.2676 1509949.16 2353600.497 108389.2275 110582.4411 119100.6084 108957.8847 654268.8382 1440485.963 1903710.025 976.176405 812.4330661 656.5307488 Malonyl-CoA 426 47547.01359 41386.71435 42921.11254 47268.14312 35199.32434 38121.10766 56810.9338 44655.87407 53774.92705 56836.20285 49305.35495 60708.19591 45469.05338 49982.48083 49532.52467 49143.44159 52627.24147 38991.86513 47505.46221 51208.67618 48576.84533 54497.85354 202010.1693 655508.3662 1590937.541 45872.86521 50254.72386 50106.08428 51939.77188 191330.681 647722.0718 1541549.862 43986.88192 41408.34518 52404.29023 51412.19766 209508.6098 693506.213 1440383.74 825.354381 31.95897929 60438.831 98217.73387 66363.94686 74118.18923 332270.408 723740.3354 886159.702 61351.05681 66088.97882 60258.10688 59428.2051 371202.5557 786974.3139 1170214.525 58654.1053 59198.43274 59508.42294 67570.88781 330407.8126 698353.1131 953801.4816 267.5180893 51.57878972 30.02290306 Succinyl-CoA 408 235.8830998 195.6613499 107.6937783 114.0436957 333.9245738 60.32992717 64.21727482 286.2367712 264.5009763 290.0563553 194.1485176 180.3946771 139.3445099 227.9541858 128.6946723 112.8398888 130.0974952 111.6605865 186.014556 173.453362 121.7267023 340.6445707 222.4051814 171.0562604 120.4269986 181.8835715 257.961155 123763.7128 119818.8284 136056.8979 146904.4443 119827.6834 135734.3127 444.08641 133601.6784 152681.364 167904.219 174293.987 160054.3034 176916.0725 249.8256939 106470.5686 136746.6263 136054.7442 139127.4787 176104.4405 125163.0433 257.6946645 181.1857649 175.5888923 61.01862789 63.6314242 61.45994018 385.6225713 172.0526991 230.7590143 174.184605 174.3120571 181.5520756 324.6773911 420.5130061 433.9836406 169.4231039 280.8382655 168.2861849 169.3165766 116.8616294 443.1975415 187.9185143 344.0046571 283.485217 319.748253 274.9113343 230.8243474 428.3928827 122549.3774 132186.2518 131205.4556 138216.4622 142752.0589 204259.9151 204780.8576 117733.4655 119128.5716 123423.4037 126428.934 131529.6299 164738.9882 193638.5726 95988.73812 110065.6951 126136.7547 116872.3655 126732.1559 160073.4189 168455.3434 320.5089035 376.5096379 311.757387 417.0976948 382.6389432 442.3916643 265.2620503 289.6734662 169.9392322 187.3152796 237.2299122 222.2909602 231.0774244 236.7321145 215.4192759 233.3341041 222.28403 181.7343935 230.7204646 411.5254451 225.6308228 534.640906 344.1080248 493.04707 284.1410925 254.806721 65.29787494 128442.0392 146280.9504 156392.4724 152627.6477 145353.4584 159428.0775 151722.8327 140194.595 154027.1237 118245.4107 127963.0587 162981.2286 193600.7673 195247.6229 132092.228 133547.2883 143518.4679 133706.4185 146298.0882 161675.3941 149520.3583 381.9817522 371.283327 163.5539612 Octanoyl-CoA 79 367.3461504 258.3660328 341.8889496 413.02778 310.4767187 83.53301795 374.0811082 521.4966614 668.8529534 166.0252762 924.6120549 299.5853691 166.3802323 320.7528926 327.8672968 250.1515055 335.3081842 229.4757583 400.7625429 452.2531328 172.407782 502.7258953 175.4652413 249.4041851 155.2408135 303.1329458 591.6783732 13958.39694 13342.22011 12007.33948 17892.7931 12883.31139 9523.048229 792.6994563 10937.85299 13542.30394 13912.88837 14192.60978 14340.0351 11127.7945 908.7923131 9330.896825 12229.54987 15391.34996 16518.35959 17475.21091 12040.56901 1408.749087 723.0544297 1191.131216 339.5639851 429.6600567 208.6273248 250.1437206 168.0608564 496.1453864 179.6095386 251.6401183 149.3662609 418.6089275 482.8611465 170.699904 269.9312957 83.2777441 176.8832392 212.8361087 462.0198183 421.8184315 246.4730844 351.1041107 268.9347068 234.0728289 208.1182991 217.8062822 225.1722893 13658.39171 9363.941697 22513.09883 17795.86946 29925.06665 23686.92346 22378.39955 14567.43494 14185.99166 18860.08021 18042.71623 26648.81259 18058.09047 26523.63763 11488.00661 11299.92891 9412.022959 16741.32889 10284.17992 23154.04408 19978.43696 432.6667017 558.718007 299.7515198 150.7058224 207.7933913 270.2145712 402.9012774 454.9447578 125.9905003 499.7214998 428.6930399 214.4793204 277.6961034 253.0200418 177.9968493 270.0056546 364.1336745 446.6916488 244.5047922 518.0576683 86.94903301 320.456153 246.2153349 450.6712097 823.1002814 305.2822183 559.8052493 16250.8652 12007.00005 15448.95694 12123.21531 15110.40753 12612.30496 20063.86618 16430.42393 13718.6957 16150.33936 16341.8464 21055.82745 15339.2032 17297.07578 16078.04636 13820.66785 15277.7583 5054.514956 15100.01633 13104.74134 7632.581457 457.0805269 368.976701 973.1260572 HMG-CoA 408 295.8382307 241.105247 194.5283856 207.6756965 177.4805043 150.0539549 77.89800401 160.3095594 203.3999053 404.080633 370.8682065 279.1352315 207.8860915 202.842469 212.3362583 201.1300812 136.2199311 224.4575879 408.1417373 135.5095057 70.56584414 75.43675282 141.6137536 77.4717163 83.23869663 139.3947163 272.3673876 178982.3175 167569.7318 204607.6174 238485.1964 179880.3654 191482.1731 848.9484265 207677.8685 210303.0747 222687.0555 247593.4709 228623.5614 275675.3118 656.7804079 168554.2049 182434.4155 206128.5299 223659.7812 253371.8403 216755.8637 352.1205933 142.7598833 242.3865827 205.0764721 423.6996507 75.56046078 231.3457054 153.5488157 270.6840078 146.9749167 204.8933196 131.2778267 207.8984592 365.8809108 272.9948087 69.12367463 201.3689643 133.0369334 309.5497786 231.3150045 378.7654249 95.0094928 244.0163865 479.1787066 270.092735 347.3549134 382.8759492 269.0499584 219261.5558 253279.1668 256491.484 270013.0094 277427.5965 325205.4985 241765.0465 205418.6899 234272.1959 226386.8061 237350.2072 271739.6503 351368.0612 249954.7971 168612.7545 222620.4461 253039.5558 247613.7946 275572.5524 333843.4989 228106.595 1005.359408 499.2881119 365.8301397 548.2504612 272.6801353 274.9842668 207.4743106 624.5430045 496.2858346 311.2299539 523.159747 135.3848221 394.8389904 676.8865208 489.3121682 158.3432933 285.4814811 394.9712664 326.5433217 416.2165851 140.1541614 218.5793021 426.3294135 146.5035914 267.9558623 309.9019658 273.4132862 168824.9102 183402.8327 200414.4925 199335.2479 190400.5998 165361.9506 158850.2102 168649.8035 200050.7872 174752.0362 184198.379 210344.3373 190050.1228 178531.8581 183647.6193 187093.3885 207700.9803 179443.9673 176942.1313 149782.5596 157885.7529 413.8266919 354.8044764 340.4079911 HMG-CoA 426 68.15167548 84142.81695 76441.30797 90862.94623 105502.7835 73992.34162 84526.36437 67.92746144 86683.76744 100949.3393 103602.0842 118075.3743 103796.2683 113084.509 77646.91029 84480.78576 89000.58901 103384.0851 112643.4887 94788.08178 98667.26857 105062.72 115762.8645 118229.4976 139510.0315 143990.9088 92986.25915 91279.77762 98895.47761 105552.7686 108919.7353 109012.2672 134128.9117 125849.3889 78548.8016 102320.5847 123750.0533 100301.7765 114609.5595 148625.6707 102237.7326 70.9862818 67.65273835 71.4584943 73727.48642 74704.46132 83250.73033 101076.9002 92175.09158 68675.14461 76625.871 74417.38728 93304.39284 83102.18541 85451.46271 92557.66055 82772.64226 90025.13949 74137.11128 90105.87779 92595.96086 82069.30625 85722.28175 75270.72098 69582.09249 76.83071393 Lauroyl-CoA 408 101.1929817 170.4502437 182.4567502 224.9262135 260.1918724 217.5626348 115.6723742 241.2176109 239.237686 497.5848465 202.8692075 335.1300106 191.139604 215.8842993 169.4632982 355.2583403 186.839222 220.179173 263.5793455 95.35819991 219.3000079 149.4636593 190.6114889 197.9916721 158.2183669 152.3693961 135.2015741 26210.33923 18061.71933 20300.61365 26123.62283 14985.98668 6000.827101 244.4770591 24379.37985 22068.38071 33082.65731 31701.74008 21759.72051 23452.34217 554.2019815 22453.77326 21742.97687 27280.37288 24020.38803 25510.21729 15830.58392 331.4989082 111.0771194 110.3800667 179.019201 200.3374991 80.74787658 206.1422051 191.936249 115.0249553 373.34367 400.0463243 268.4361496 362.469963 258.0759152 287.9746142 220.0360701 293.4684777 159.8993147 242.3855292 303.9493497 300.8520384 393.0812999 197.975964 195.9988437 286.0824655 564.1147003 228.9814422 223.2499612 34441.97489 32851.96391 29344.92293 21464.2904 7207.614669 8932.677041 3708.48349 25409.98948 33366.27284 27088.68163 21146.64462 10802.48013 11585.55664 5092.114206 22335.36802 28490.26907 23331.75288 27758.35004 19397.31232 10006.00657 6452.093441 435.4028165 561.0958672 223.4507697 396.5928637 358.9854187 242.6409331 185.0574454 170.4063709 344.9024109 282.7913413 220.6284001 253.8056235 207.685364 261.9964312 334.0361452 268.6673687 201.8979656 147.7024151 105.1568058 233.8174414 261.5341491 185.2159901 252.3305115 105.7143778 263.2576291 238.7970173 486.9000141 27632.91322 30379.43363 24073.0092 14810.54874 13028.44556 8326.42207 7473.355059 19206.64971 32218.42378 27026.51837 22956.06933 9675.489954 8995.389083 7693.268746 32253.14632 30104.81309 21652.80473 20927.19754 8830.160029 9938.97531 9521.646546 207.5001337 262.5232325 155.6788934 aCD 161 246.8877251 385.6474733 481.62963 482.6596243 269.9004106 250.9425646 369.9058629 493.3740833 130.5158885 264.9881646 762.8918488 375.8192168 335.2288637 131.1310621 532.5851487 130.7115122 239.4778329 160.9061275 129.6590026 121.3986834 121.0896128 137.9857579 166.0178806 243.6056948 270.2624161 150.5052714 280.9913854 155.1681524 307.197586 451.1716982 425.0956812 278.3784579 319.0301095 159.0106531 757.5100291 311.9868396 154.3892922 472.8060393 409.6356747 166.4223343 479.3793842 162.0606614 157.8883368 149.7576383 161.2338586 139.346497 595.5942375 135.970749 360.7129388 253.8012748 276.3340876 132.1297764 309.8134387 125.2069106 157.5388436 420.7602281 273.6784551 374.852723 514.7305313 359.7588152 156.554138 364.2732888 265.1113178 356.7837135 132.0119643 130.7331177 539.9730559 253.1261403 368.1335637 131.4691324 262.2469318 588.7373787 320.1143596 448.2063582 154.7185063 159.7555342 154.9350942 152.4374812 446.2154603 153.5109985 1565.370867 139.0117984 306.6787894 319.2483347 449.3254022 148.0115681 295.9852866 564.1749695 274.7264959 297.7515294 155.2175447 159.1821158 408.3095727 126.3413222 258.0540245 283.4183258 277.3471793 889.1034459 656.2642248 618.6461101 738.9775922 127.3106229 371.7961626 269.2806812 126.3428289 364.3095384 362.1871816 473.2289625 370.0237211 807.9624907 276.4273186 262.9333678 639.1779142 516.6911411 376.1553796 487.3993826 508.0537322 135.291683 392.6537371 154.3428069 581.8643197 153.985366 283.0762869 325.6685217 267.2799604 300.2582977 430.9561513 148.9582847 618.5454634 158.7548042 447.7652383 842.9558572 327.3204569 135.5203921 751.2828545 148.3097617 163.7538329 527.5502046 271.0484041 1495.855274 158.4680343 245.8714669 134.7168189 aCD 101 121.5923026 132.7184966 135.7722987 167.0775759 120.4608085 156.8155635 123.3603079 124.8896545 45.88904552 242.8740258 148.0915695 157.9092981 136.2398705 159.1664951 156.9799262 117.6269173 120.3068559 125.8473159 128.0378488 127.1398166 137.81342 130.0269864 128.3275042 118.5576896 130.4348799 435.9260524 693.627489 136.6577148 154.9336758 151.1360656 143.1084645 161.5469465 151.1776187 295.6779144 149.3601455 118.0039099 127.8791775 Myristoyl-CoA 408 418.0204828 290.8638298 173.9552402 209.0515283 230.5055244 335.6299753 181.0770129 162.6145316 165.7204453 271.4672278 165.1427564 264.6298942 387.9230815 390.4027636 162.1764734 161.084617 196.1082025 323.2604503 109.7887681 234.381913 171.6524449 172.7398383 141.087211 264.2064071 132.148504 147.1451572 290.2664673 194875.6511 134735.9878 133413.6775 188247.6631 101791.5382 46018.65793 535.7304877 190117.9433 177240.329 228770.5337 172955.5079 128497.546 135244.3635 438.0938973 159906.9108 190454.2422 223431.4293 165231.8159 161249.5204 118189.0595 1093.071072 178.0684114 274.3175125 158.632738 271.8114078 201.6897227 104.2466218 349.8416836 115.7399334 165.1046696 197.5469984 334.8137345 264.0216642 171.1311531 337.3516778 189.1426768 258.3109117 347.1076252 344.401113 235.6297205 231.4756304 230.3024884 272.4706585 160.465045 197.5393802 434.7062029 254.4175946 198.0745522 209967.0064 229147.8425 196481.7916 105470.3431 18333.32058 31908.98198 14382.85986 183800.0877 205526.4947 180690.7909 92608.18561 27059.02084 38082.88827 13084.40171 161079.7865 191763.4485 129115.9497 115373.4262 67791.56637 31739.07506 16705.64759 221.4611023 168.7535889 151.503303 166.0479733 582.2084183 423.6141399 347.6847549 204.4057519 425.8277289 150.590526 277.9041417 357.6452228 259.2001753 201.7105443 166.6123679 169.8914474 260.2561057 207.0458273 163.9162685 212.6684288 404.3097357 205.7496039 169.5342958 182.8498076 277.3692074 392.8676632 323.4704596 150822.2362 173488.2005 138591.4074 100449.1439 59189.92807 36802.87148 27420.12594 100348.2662 186178.3535 125089.1509 119360.7074 37399.45297 31701.89198 21088.07923 160326.8693 193044.0492 149176.8196 91841.0846 42671.46018 33596.17604 29666.46431 237.1458386 194.0884547 238.8177483 Palmitoleyl-CoA (16:1) 79 253.4360836 279.5243325 87.17666553 334.8191742 426.2265948 466.5304827 450.6654555 280.210698 591.5833628 366.9979251 425.7741956 497.9052632 377.1007858 263.9221506 408.416139 345.288754 220.2349976 373.7743424 391.489328 217.7955888 164.5065789 316.4150208 644.8164324 413.0919074 172.2060415 297.10334 476.8818258 533090.406 330847.8042 371982.8741 522308.8327 252730.984 187932.3044 1592.218111 521060.2186 473538.4601 585548.6501 504692.3717 395736.7748 364746.4925 937.3551306 383979.303 501019.7557 512662.8894 504535.4115 481731.5727 356258.5584 1053.456833 386.5600557 666.0310868 330.4277138 722.871671 87.11484798 317.1532514 457.4563734 430.4330215 337.5737179 234.4126172 461.2295813 354.3607078 195.3121986 304.4967071 307.0763835 247.748101 531.8116662 214.1737491 319.1789549 163.6338967 226.2476152 193.6497652 422.7037633 454.5677796 345.9005739 166.4301575 314.0928633 527586.5778 624716.3316 520298.2241 313620.7829 111019.5081 161116.3799 83248.43999 463250.3615 412635.7995 541097.3581 297032.9575 146280.3235 186404.3675 101886.3084 415142.6434 488328.5367 339403.0413 378081.5861 258603.2919 202356.9859 103606.1563 487.8219115 302.0536312 282.0916108 489.2960864 303.2595589 636.6848206 560.0435021 334.597071 421.6754716 292.7796564 379.8294344 463.4171484 378.1890863 221.9039543 388.9432541 588.657544 538.5401729 423.9889388 454.2291502 375.5070124 284.6566394 434.7508393 341.3162362 412.3433469 1046.874744 672.5109674 232.7240726 372518.334 467012.8472 413704.1169 307869.3171 246144.2335 182425.7595 117147.9373 269420.2867 431627.1665 339068.5274 395225.9423 186473.7188 149734.5784 121169.4584 457095.1108 514983.5525 390679.65 274475.7341 209620.1408 169101.2032 155988.1032 241.0621866 260.6638477 347.5114194 Palmitoyl-CoA (16:0) 79 179.4510776 215.667818 207.7271487 686.9130948 191.6312525 303.3954931 320.9814949 205.6301549 383.3887493 363.3343869 252.1365121 210.8519941 321.3939731 600.8705492 244.988164 243.0716284 341.6505082 371.6381475 555.197884 456.929387 483.2270826 294.6475905 191.1696334 707.208654 263.780098 287.2476739 223.60311 1440060.989 899871.1609 818255.4334 1129998.687 587193.0649 377202.2271 1628.900477 1235900.337 1138290.916 1345291.699 1171897.413 950484.2795 813385.5771 2168.836956 1035521.455 1137427.463 1417725.879 1082122.377 919231.3912 800120.3554 2838.639549 578.723081 354.1040977 302.7068742 118.4258256 409.3247098 282.8342246 607.9957317 437.8305569 368.1224494 335.1931695 159.2213782 283.0227267 266.9443034 485.8106717 260.2829301 311.2302483 152.6723367 383.489135 275.7215349 343.6538188 603.0871119 774.7281769 112.3745664 334.0312662 623.8178735 180.1811872 611.9334767 1337171.139 1444867.866 1323268.494 484974.3239 109385.6357 191217.2445 66236.55505 1115776.172 1256092.572 1063275.551 584338.5416 154091.3473 209774.4865 78449.13168 870163.2743 1101244.197 732448.7385 678131.0576 446214.3032 245228.358 92067.32134 357.5952114 536.9562983 542.9049221 142.1653685 938.8017214 268.3006858 842.0521243 314.2006876 218.682573 337.6058157 743.4041852 302.83929 367.4908513 255.1375021 267.8846393 475.7397074 296.7844013 148.5831324 295.634317 302.83137 489.0308212 220.2467214 611.1968789 259.4262513 361.2004597 445.4420992 164.0532612 746634.7755 1136104.926 746360.3187 515156.4637 393698.4279 193929.0315 123010.8995 474274.9962 862989.7684 759196.9801 767085.4359 219215.3714 171679.4366 95979.51503 997164.186 1148829.733 851092.7268 567689.0114 238046.792 194284.4802 148389.4042 911.9312895 308.3335674 328.8097064 Oleoyl-CoA (18:1) 79 263.2382167 134.9888337 225.6127433 557.3055403 243.6506303 692.3549706 153.9954742 235.1093114 207.9655546 252.1427599 318.1654915 275.2821131 534.6270112 249.5541448 349.4845747 377.8486531 208.6430061 305.1412804 561.4209389 222.0857905 160.7710675 193.1326315 223.8360907 311.3315302 186.0100122 632.4031027 536.1019108 1235434.87 710562.9175 780255.5057 1060427.738 518062.9531 434888.8856 2227.719624 960764.8071 883780.4679 1471051.863 948540.4182 1120671.73 1133879.844 2337.965775 985064.5715 1044129.953 1272961.818 1074874.435 1188402.625 1637698.708 4388.686136 462.183693 395.9944341 348.920596 577.1360366 361.0368294 477.5306747 238.0592185 324.4008466 185.6026482 153.8531223 416.3605024 551.5067358 265.4741043 295.7758008 267.7647371 564.0192254 334.5429237 283.1900163 190.3824526 289.7997256 267.5183452 523.2048109 412.7755821 277.561091 369.4125285 399.3542699 211.8200728 1286773.764 1157815.646 1164814.808 634525.3281 300203.6567 649518.4288 316617.4775 1024260.42 1129211.346 1195645.069 636876.75 422488.9993 773817.9478 282762.185 750045.4889 1069662.851 804846.6551 958506.2133 1139196.715 752698.4319 376034.9258 263.8916932 809.2960386 196.6654614 718.5659017 423.0661934 308.9925138 492.4840368 306.2875874 463.5748264 482.5592506 337.9120708 477.4207259 589.7405864 308.9969856 382.4598185 455.4814312 593.1409102 260.8797498 307.5949411 563.5266161 400.273177 186.1166313 401.4079686 613.0403222 245.7005521 434.4334516 211.2616501 788274.7248 982503.4698 814196.0916 718522.8133 1087205.094 728514.0409 494829.2978 542458.8488 893037.0747 850524.9693 887750.307 571489.0965 641130.0723 552237.5867 911970.369 933593.2877 1119238.308 699097.7804 669928.2527 671653.0693 727684.6374 608.2020938 485.4802243 192.0167874 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name compound group name expected retention time retention time transition pubchem id kegg id regno Formic PARENT Formic 4.23 3.88 45.0 / 45.0 284 C00058 37099 Acetic PAR Acetic 3.53 3.51 59.0 / 59.0 176 C00033 24 Propionic PARENT Propionic 3 3.07 73.0 / 73.0 1032 C00163 25 Pyruvic 32 Pyruvic 2.8 2.7 87.0 / 32.0 1060 C00022 1584 Alanine NEG PAR Alanine 6.42 6.39 88.0 / 88.0 5950 C00041 37109 Butyric PAR Butyric 2.6 2.54 88.1 / 88.1 264 C00246 26 Lactic 87 Lactic 2.95 3.22 89.0 / 87.0 612 C01432 122706 Lactic 71 Lactic 2.95 3.22 89.0 / 71.0 612 C01432 122706 Malonic 59 Malonic 7.12 7.03 103.0 / 59.0 867 C00383 1964 Fumaric 71 Fumaric 7.45 7.56 115.0 / 71.0 444972 C00122 37095 Succinic 73 Succinic 6.86 6.94 117.0 / 73.0 1110 C00042 1966 Succinic 99 Succinic 6.86 6.94 117.0 / 99.0 1110 C00042 1966 Cysteine PARENT Cysteine 5.86 5.79 120.0 / 120.0 5862 C00097 37316 Taurine 80 Taurine 6.5 6.49 124.0 / 80.0 1123 C00245 37162 Oxaloacetic 87 Oxaloacetic 8 8.03 131.0 / 87.0 970 C00036 2032 Asparagine 113 Asparagine 6.68 6.75 131.0 / 113.0 6267 C00152 37114 Aspartic 88 Aspartic 6.6 6.67 132.0 / 88.0 5960 C0004 37126 Aspartic 115 Aspartic 6.6 6.67 132.0 / 115.0 5960 C0004 37126 Malic 115 Malic 7.45 7.57 133.0 / 115.0 222656 C00149 37105 Malic 71 Malic 7.45 7.57 133.0 / 71.0 222656 C00149 37105 Ketoglutaric 101 alpha-Ketoglutaric 7.12 7.21 145.0 / 101.0 51 C00026 37135 Ketoglutaric 57 alpha-Ketoglutaric 7.12 7.21 145.0 / 57.1 51 C00026 37135 Glutamic acid 102 Glutamic 6.5 6.43 146.0 / 102.1 33032 C00025 37101 Glutamic acid 128 Glutamic 6.5 6.43 146.0 / 128.0 33032 C00025 37101 Phenylalanine 147 Phenylalanine 3.9 3.83 164.1 / 147.0 6140 C00079 37108 Phenylalanine 72 Phenylalanine 3.9 3.83 164.1 / 103.0 6140 C00079 37108 Uric 124 Uric acid 5.48 5.4 167.0 / 124.0 1175 C00366 37183 Uric 96 Uric acid 5.48 5.4 167.0 / 96.0 1175 C00366 37183 Arginine 131 Arginine 13 12.9 173.1 / 131.1 6322 C00062 37289 Arginine 156 Arginine 13 12.89 173.1 / 156.1 6322 C00062 37289 Citrulline 131 Citrulline 7.05 7.08 174.1 / 131.1 9750 C00327 37494 Ascorbic acid 157 Ascorbic acid 6.75 6.89 175.0 / 157.0 54670067 C00072 42577 Ascorbic acid 79 Ascorbic acid 6.75 6.89 175.0 / 79.0 54670067 C00072 42577 Glucose 59 Glucose 6.4 6.26 179.1 / 59.0 5793 C00031 37084 Glucose 71 Glucose 6.4 6.26 179.1 / 71.0 5793 C00031 37084 myo-Inositol 161 myo-Inositol 7.67 7.61 179.1 / 161.1 892 C00137 49811 Citric 111 Citric 9.34 8.98 191.0 / 111.0 311 C00158 37071 Citric 173 Citric 9.34 9.45 191.0 / 173.0 311 C00158 37071 Myristic PAR Myristic 1.37 1.45 227.2 / 227.2 11005 C06424 36 HEPES 80 HEPES 1 4 3.94 237.1 / 80.0 23831 166279 HEPES 107 HEPES 2 4 4.06 237.1 / 107.0 23831 166279 Cystine 120 Cystine 7.3 7.3 239.0 / 120.0 67678 C00491 37127 Cystine 74 Cystine 7.3 7.3 239.0 / 74.0 67678 C00491 37127 C75 209 C75 (contaminated signal) 1.4 1.45 253.1 / 209.0 4248455 Palmitoleic PAR Palmitoleic 1.37 1.4 253.2 / 253.2 445638 C08362 490 Palmitic PAR Palmitic 1.37 1.39 255.2 / 255.2 985 C00249 23 Stearic PAR Stearic 1.37 1.39 269.2 / 269.2 5281 C01530 39 Penicillin G 289 Penicillin G 2.61 2.57 333.1 / 289.0 5904 C05551 43291 Phenol Red 93 Phenol Red 1.78 1.75 353.0 / 93.0 4766 C12600 154042 Phenol Red 195 Phenol Red 1.78 1.75 353.0 / 195.0 4766 C12600 154042 Riboflavin 243 Riboflavin 3 2.99 375.1 / 243.0 493570 C00255 37156 Pemetrexed 297 Pemetrexed 5.7 5.8 426.1 / 297.0 135410875 D07472 62865 Pemetrexed 321 Pemetrexed 5.7 5.8 426.1 / 321.0 135410875 D07472 62865 Folic 311 Folic 7.88 7.83 440.1 / 311.0 135398658 C00504 37083 GSSG 306 L-Glutathione oxidized 8.2 8.23 611.1 / 306.0 65359 C00127 49863 GSSG 179 L-Glutathione oxidized 8.2 8.23 611.1 / 179.0 65359 C00127 49863 NAD+ 540 NAD+ 6.2 6.14 662.1 / 540.0 5892 C00006 71883 NAD+ 273 NAD+ 6.2 6.15 662.1 / 272.9 5892 C00006 71883 NADH 408 NADH 6.12 6.02 664.1 / 408.0 439153 C00004 42581 NADH 335 NADH 6.12 6.01 664.1 / 335.0 439153 C00004 42581 NADPH 408 NADPH 8.1 8.09 744.1 / 408.0 5884 C00005 50514 NADPH 328 NADPH 8.1 8.07 744.1 / 328.0 5884 C00005 50514 Coenzyme A 79 Coenzyme A 6.46 6.34 766.1 / 79.0 87642 C00010 50040 Coenzyme A 408 Coenzyme A 6.46 6.35 766.1 / 408.0 87642 C00010 50040 FAD 79 FAD 4.8 4.9 784.1 / 79.0 643975 C00016 67574 FAD 408 FAD 4.8 4.91 784.1 / 408.0 643975 C00016 67574 Acetyl-CoA 79 Acetyl-CoA 5.75 5.58 808.1 / 79.0 444493 C00024 50043 Acetyl-CoA 408 Acetyl-CoA 5.75 5.58 808.1 / 408.0 444493 C00024 50043 Acetyl-CoA 461 Acetyl-CoA 5.75 5.58 808.1 / 461.0 444493 C00024 50043 Propionyl-CoA 408 Propionyl-CoA 5.25 5.08 822.1 / 408.0 92753 C00100 50150 Butyryl-CoA 79 Butyryl-CoA 4.95 4.69 836.1 / 79.0 122283 C00136 50132 Butyryl-CoA 408 Butyryl-CoA 4.95 4.68 836.1 / 408.0 122283 C00136 50132 Methylcrotonyl-CoA 79 Methylcrotonyl-CoA 6.24 6.17 848.1 / 79.0 6443760 C03345 37996 Methylcrotonyl-CoA 408 Methylcrotonyl-CoA 6.24 6.17 848.1 / 408.0 6443760 C03345 37996 Malonyl-CoA 408 Malonyl-CoA 8.1 7.96 852.1 / 408.0 644066 C00083 50143 Malonyl-CoA 426 Malonyl-CoA 8.1 7.94 852.1 / 426.0 644066 C00083 50143 Succinyl-CoA 408 Succinyl-CoA 7.63 7.59 866.1 / 408.0 92133 C00091 50056 Octanoyl-CoA 79 Octanoyl-CoA 6.91 7.1 892.2 / 79.0 445344 C01944 37587 HMG-CoA 408 HMG-CoA 7.38 7.21 910.2 / 408.0 445127 C00356 50087 HMG-CoA 426 HMG-CoA 7.38 7.2 910.2 / 426.0 445127 C00356 50087 Lauroyl-CoA 408 Lauroyl-CoA 3 2.83 948.3 / 408.0 165436 C01832 4404 aCD 161 aCD 7.54 7.59 971.3 / 161.0 444913 D08846 52254 aCD 101 aCD 7.54 7.48 971.3 / 101.0 444913 D08846 52254 Myristoyl-CoA 408 Myristoyl-CoA 3 2.81 976.3 / 408.0 11966124 C02593 37846 Palmitoleyl-CoA (16:1) 79 Palmitoleyl-CoA (16:1) 3 2.81 1002.3 / 79.0 25244394 C21072 58565 Palmitoyl-CoA (16:0) 79 Palmitoyl-CoA (16:0) 3 2.82 1004.3 / 79.0 644109 C00154 50139 Oleoyl-CoA (18:1) 79 Oleoyl-CoA (18:1) 3 2.81 1030.4 / 79.0 5497111 C00510 50146 METABOLITES_END #END