#METABOLOMICS WORKBENCH dmukha_20240809_140143 DATATRACK_ID:5093 STUDY_ID:ST003412 ANALYSIS_ID:AN005605 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 POSITIVE MS:MS_COMMENTS Data were analyzed in 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 Urea 44 202048.4411 287692.8834 252959.0382 21144528.57 21915370.87 20477968.69 21059736.54 12847742.2 20258944.55 20321604.87 16519768.5 21924649.49 20959782.2 20220162.91 20520283.41 13030513.86 21022703.56 19715601.33 16822712.79 21185962.22 20330202.2 20639979.35 20585655.16 12922580.03 21305429.48 19792938.2 16928119.27 17305882.55 15731856.23 14268031.51 16260852.3 16420273.42 14459510.07 797978.5038 17586177.51 16257280.08 13025554.31 15058269.75 14809272.94 11864056.37 948713.277 14948330.41 14129088.2 11909896.49 14355583.1 14014872.02 11104530.47 1209823.047 215136.7742 208825.7677 228656.8778 21667548.61 21058644.65 20727107.13 20689294.81 12574957.46 20942257.73 21313743.35 20955236.83 19582085.95 19686870.89 19056184.98 19045190.6 11817513.55 20132457.24 20426267.44 20321489.83 19784971.69 19669158.62 20289948.79 19445900.05 12155994.82 21413875.65 20649953.1 20042363.89 16544026.52 12665430.51 12607533.74 13452578.31 14265432.25 14410835.75 14810667.69 13531189.66 12596570.42 13462543.69 11859546.84 14475434.2 14080208.64 13866587.56 12368435.12 13177706.23 13800469.42 12208655.15 11810774.67 14164145.26 12416398.67 240298.1933 13994.37927 217101.059 20905771.34 20781583.06 20315018.02 20608321.7 12511792.31 20653981.47 20666027.43 20068976.14 19754382.65 19932448.47 19442676.55 19580233.56 12353022.06 19753539.85 19874983.95 19770923.6 20084716.91 20225953.38 20596726.99 20052446.64 12511311.4 20339305.37 19624958.49 19491922.86 13598146.9 14350088.37 12852773.28 14093041.41 12527565.81 12593679.69 11865090.62 13129150.17 13157898.18 12773869.63 11768431.37 13182670.85 14638326.69 13864862.12 12495294.52 11720064.31 12351516.05 12413078.55 12333864.33 12935185.4 12668364.32 264764.4531 148621.4794 325235.6966 Glycine PARENT POS 524077.328 6965695.65 552930.142 4844950.464 4658958.64 4175893.967 4239422.192 3513110.664 4693414.142 4195960.446 4870232.93 5159384.693 3957790.138 4314513.212 4437511.857 3739015.492 4793373.2 5107329.412 4325526.251 4393395.364 3986587.228 4644416.562 4302404.818 3893853.735 4723813.613 4238447.271 4983419.422 28537142.34 26820573.57 28062298.48 28777085.45 27230451.61 25992495.55 598453.8715 30382095.45 31437233.69 30127662.57 30383790.88 27316706.91 27638902.04 594308.1095 28259175.25 28425409.25 26483586.84 28424120.19 29124360.92 24097950.14 312651.785 970215.6125 5928970.174 371380.1375 3917779.723 3800663.878 3813156.029 4159186.122 3613107.452 3857190.553 3987471.601 3927345.798 3976167.394 3988308.989 3620382.79 3693747.705 3359547.162 4023921.044 3697778.964 3630509.558 3985877.575 4043648.407 3834334.657 3395283.055 3484464.935 4378593.517 4013016.813 4024250.982 29024178.32 29372581.53 27940412.26 31560247.09 24661466.5 29529907.14 27340470.91 29954013.81 28189119 28284093.61 28922558.15 28717317.57 28692918.7 26932796.84 25126057.76 28142125.65 28530377.06 29634993.94 25489277.67 29120252.04 25112186.31 557161.154 5996240.278 567088.3575 4135270.543 4100224.526 4469425.654 3781232.59 3465827.904 3720698.263 3949260.72 3716394.243 3923687.483 3880790.337 3976500.812 3790256.213 3365555.427 3891455.44 3772122.076 4146038.058 6897663.028 4133906.795 3905083.429 4097323.159 3226279.774 3929697.661 3678428.284 4374050.919 30924271.66 29294161.41 31063474.38 32202668.19 27295567.58 26171277.32 27263143.76 31513780.97 32690644.42 28880151.79 29099114.85 31058229.56 28622560.56 31718720.57 30944006.18 31107304.03 31018234.86 28942846.85 28282573.47 26220719.9 27726623.35 471739.9125 5344453.316 339898.435 Alanine PARENT POS 200436.9013 7884555.176 156758.5164 21198654.57 21005003.88 18443633.61 17650165.67 880587.9057 16544539.43 14138098.53 9252461.153 22406985.46 18635158 18511623.63 17297866.46 889945.8019 17794563.57 11440052.5 9165280.176 19999837.36 18522004.28 18390242.78 17291803.65 799111.9003 18132437.79 13181228.32 9294444.648 82941863.29 77049545.63 78735466.75 72990395.11 75849527.98 55347197.73 544927.5153 86730010.3 81421959.36 80373359.58 74573802.81 66043595.66 52920902.99 699931.9512 80605026.01 80380072.48 77322636.11 71183635.48 70928971.78 41347672.91 669916.8615 249344.298 7780259.137 103655.0849 20601909.44 20439506.83 18251276.54 17810097.24 825250.1866 14369968.75 12732888.62 11661686.78 18991753.42 19418299.58 16425193.06 16648884.46 806528.5853 13893498.94 12224996.92 11801495.42 19747079.1 19573679.87 17810855.46 16765294.15 883405.2186 14906336.16 12365756.78 11416446.34 80889653.17 84488296.19 80223575.36 77731690.83 66657180.28 62625468.03 62637383.4 82341671.06 81339314.4 75592168.41 73048365.39 64710868.89 61800776.27 64947431.9 77572480.42 85546340.82 82150197.62 73986960.1 62050449.22 62324177.83 61765619.43 55375.14678 8140040.617 141838.7211 21117973.72 21277155.27 19814644.33 18446417.5 930590.0676 14619613.73 13966188.25 14965136.89 19598152.55 19652739.03 18191883.04 17078176.88 888566.0315 14547482.75 12966054.57 14729901.29 20084354.07 19918703.03 19963978.28 19270400.28 881679.8465 14217185.01 12932065.12 14880658.19 80090611.7 83545052.71 81344100.93 78556346.88 61922632.73 59693851.09 62164040.55 82223968.5 85467899.18 74077287.14 74803943.74 65957392.89 62418364.32 68002543.41 82220287.5 83294237.37 80307598.21 72225415.68 61875145.08 58417187.3 63609700.71 324308.1921 7747876.74 190856.6151 Choline 60 985.7834489 122628.2992 777.0121821 3617.708804 3267.355722 4364.440597 1902.542594 945.4041085 11084.39791 1873.432375 3793.888108 1671.890568 814.5744932 17409.81293 861.7761964 15848.36013 21864.20544 167.7208651 3973.787496 4602.984 449.0173288 1796.589428 2528.037839 40217.79593 787.1700357 1376.094346 43545.44787 2631.6319 5056.592902 6185.991313 5026.897827 3209.634245 633.7696647 1447.164762 36167.90619 2994.936591 2931.702843 13974.9675 1345.887275 7636.589225 4472.598599 1776.401871 3110.219955 7001.892552 1070.171472 3639.460432 1474.616591 2156.351487 4042.31006 1268.124545 13794.32065 825.1032793 4561.434588 584.9862596 6539.596236 3935.666713 3720.381616 3833.764189 2254.85691 145.1611226 9442.108065 4856.314521 10017.8579 15134.39969 18264.81628 8463.089892 4528.958322 20342.14633 9082149.796 36183.5968 12852860.01 4211.072967 6719.01721 185.1965843 5499.173318 9749101.288 13544552.57 13909830.59 50056.399 3406.808099 67075837.74 4247.368814 381.2124486 1704.276065 8649.354834 3566.398388 8332.34474 1244.2019 5592.602792 3186.666804 1075.345197 1603.932437 469.0568608 82547.20691 1308493.505 1366368.056 5573.209087 7168.685506 10452.56898 830368.5401 2542.877749 7610.678892 1431461.301 5127.653415 7129619.846 7324252.318 7039096.104 7378610.597 10350669.44 12935314.79 13596516.83 7029826.209 7250327.796 8237667.45 8216359.524 9930245.151 11586944.94 13904412.79 7526809.804 7094513.306 7160018.24 8386661.709 9917809.615 12104141.01 13832089.55 7786.645117 66405031.72 3187.175929 Serine 60 5332.603755 24434345.39 10798.96416 18409741.93 17047808.97 15749120.86 15666226.36 26948299.76 17785738.34 16868943.95 25849534.5 16958285.77 15880737.14 17947949.31 15160583.07 27477114.49 16866128.66 20311301.83 26553914.43 16679345.17 18187409.86 16578347.93 17032383.47 27263706.03 18746796.8 17165885.68 25593733.63 49985773.99 46720741.28 47027720.35 48034618.07 46729744.13 33566645.18 463428.276 49595307.45 50667155.34 50681680.3 49295197.67 44622607.46 31487415.38 570021.7484 47810058.7 47871646.59 46978762.88 46948534.13 45074111.49 24327217.19 773034.3583 9515.3483 22356841.61 11532.99977 16673511.18 16018107.94 16802130.63 16117620.34 25321311.46 15875118.5 15250130.4 14658325.5 16662139.63 16473987.52 15513240.33 16638313.71 25406396.53 16482835.18 14401652.52 13429476.46 16540079.93 15875345.64 15452621.46 15515320.78 25257366.41 14865331.09 14871108.54 15316263.01 45853534.75 51971027.77 48834761.93 49602830.98 46056864.71 45786629.6 44594878.74 48713119.21 47990731.64 46494271.42 46617056.33 43871137.65 45110555.68 42683904.97 44049005.26 50174729.23 51338966.73 45898778.1 41941035.79 44658905.98 42403858.87 14462.78789 23354933.35 13677.46152 15415203.22 15961407.26 16536582.21 15267127.95 25388512.44 13778383.63 14120020.7 13684311.36 15869257.92 15990941.68 17500716.85 16265873.23 26332096.57 15012881.44 16437613.63 14475344 17375121.17 17694137.13 16258782.94 15646115.48 26996034.08 15227573.89 14993589.34 15070760.66 46665018.6 49751467.67 47828966.69 45941290.14 42693482.94 41674096.03 35123516.7 46570641.82 51336386.13 44671855.27 44876465.75 44372585.2 42990331.62 39842784.32 49553841.09 47366223.82 47815313.78 43562654.87 42265402.05 40636785.95 36171227.06 7778.21061 23427099.7 7408.126221 Proline 70 2744.855485 14822208.26 3813.969737 13022397.87 13118489.77 12636858.88 12156317.26 15745722.94 12521243 13243187.51 14951063 12302220.27 12835774.02 12845886.17 12087696.5 15892573.44 12059658.01 14390024.54 15170815.75 13037871.11 12592154.32 12402816.58 12724121.89 16212527.24 12322146.74 12998643.8 15307511.26 29236378.72 26853367.54 26773007.61 26288859.82 26568543.2 22933935.45 211688.9947 30855596.14 28809638.36 28323400.83 26529538.3 24541601.71 21170210.51 281462.7392 28512383.69 27836596.22 25271374.98 25598492.38 24804904.71 17726567.89 299443.7748 987.0226918 14378291.4 1026.566967 12792533.36 12891192.74 12868748.83 12450456.46 15560537.16 12372920.13 12073732.28 11943877.61 12950523.8 12363153.58 12372484.82 12356257.76 15471499.13 11904292.32 11265434.17 11320224.87 12035676.3 12713557.84 12375773.65 12096468.55 15532351.75 11765338.1 11948941.23 11784233.79 29528045.3 28910499.56 27581853.93 26837644.48 24899343.32 26629722.06 26765117.34 27710536.36 27549266.38 26142316.14 25473720.59 24376372.8 26374491.17 27538634.78 26210359.33 29375122.03 29187543.92 25483190.26 23705324.74 27012742.07 26455492.11 1777.948651 13873284.8 1756.650478 12420024.38 12031002.83 12385188.75 12622108.51 16362075.84 11618544.19 11477122.39 11873989.21 12445609.26 12434772.03 12353544.49 12711536.18 15155507.71 12029168.07 11935175.46 12463988.83 12333406.61 13074322.51 11982248.76 11672436.44 16058711.44 12201437.14 11662226.6 12548260.17 28400524.23 29532668.77 27302051.94 28490180.95 25059327.39 24736590.19 26766043.06 28693757.14 30340089.37 26817932.77 26546804.8 26026474.89 27459960.1 30774201.33 29058063.84 27882764.28 28051079.99 25931112.6 25252672.68 25044887.17 27692324.58 1565.992863 14145777.29 3153.979337 Valine 72 6154.506133 91585296.16 15267.89051 31505493.48 31374787.07 31013042.42 30073257.01 43385263.05 31094929.39 34241392.4 42474778.37 29841986.61 31788098.19 31044660.28 30135756.46 44286670.84 30083567.79 38462611.62 40583507.19 31233250.92 31028353.33 31603252.82 31111152.73 44661243.42 32002550.51 33639609.73 42359749.72 37054903.91 34886010.01 32906702.24 34817156.55 36283409.51 34416022.56 843723.958 35758651.32 33799141.23 31839544.66 32675851.12 33119678.89 31050153.17 983167.1867 33035642.77 32560711.51 31314547.29 33024365.98 32681677.51 29616914.44 1030902.716 10937.62768 89569417.19 5523.904368 28904507.27 29490289.08 30209961.05 30712493.74 43027579.3 29711266.93 30310370.99 29604038.99 31179956.27 28041308.6 29110562.08 29480411.28 41770236.07 30237325.22 29247754.02 28824214.42 28702891.34 29457625.9 29506593.72 30443658.58 42358854.53 30193177.13 29037445.86 30676997.77 35316723.09 29175083.41 30322392.16 30994206.02 33776576.06 33912234.79 36712878.73 30803463.27 29817778.84 30149704.61 29291861.3 30876823.35 33176233.24 35641689.88 30633206.2 31487712.34 32152112.07 29623587.46 30403903.06 33752348.12 34257063.87 4394.721471 89038543.69 9853.703402 28232950.71 28595711.98 29790737.81 29885933.03 45128004.13 28247843.64 28510366.17 29795362.78 29062491.61 28816219.8 29601042.69 30088274.73 44324690.34 29757682.8 29868567.33 30841947.95 29652103.44 29365949.96 27673683.27 27764512.89 43840809.27 30723820.03 30011792.77 30828054.1 33835307.49 32668280.58 30403247.35 32066358.24 31710738.49 32361896.16 32186868.18 31650260.58 32006815.86 33453947.9 30957936.24 33461515 34611945.2 35825057.65 32499261.14 30000032.54 30695762.93 32683277.64 31700039.56 33506188.12 34485350.93 3420.339672 90489457.83 11111.26083 Valine 55 2376.26785 38620439.88 2041.264663 11345372.79 10921281.12 10877271.57 10425265.93 16133423.81 11252055.85 12187183.6 15524368.05 10615292.76 11059436.98 10901009.78 10749865.35 16272326.86 10791950.99 13829202.57 15376319.87 11048864.76 11210877.41 11195269.13 11242356.13 16523403.94 11124084.08 11967800.93 15397638.62 12688044.27 11949892.61 11273052.85 11992379.48 12635738.82 11997850.12 297754.1051 12368641.81 11664718.59 11141614.66 11617788.87 11859672.67 10672318.74 342484.7831 11762149.67 11689841.52 10571966.37 11233390.99 11274763.99 10402241.77 365196.4765 2273.669692 37612687.47 1713.683468 10204821.79 10190526.99 10595424.45 10485540.15 15616377.5 10397940.49 10568496.03 10485081.68 11094887.41 9887446.827 10088192.38 10524051.83 15995985.27 10876036.64 10372415.71 10264981.98 10331107.95 10353993.41 10197288.96 10495080.24 15597874.36 10405486.7 10201870.05 10730185.19 12082289.91 10111270.38 10154633.48 10670308.74 11494312.76 11961774.88 12731241.91 10534079.21 10149880.04 10429565.87 10074575.58 10713467.43 11852987.03 12413193.96 10309928.24 10927891.76 11029097.24 10014978.54 10373266.42 11705438.36 11846589.1 1585.7972 38146398.27 1025.651852 9933718.078 9734294.837 10145945.61 10513503.29 16144358.87 9781507.365 10141925.11 10494501.56 10113961.69 10166594.67 10574694.9 10627720.13 15880776.46 10380753.38 10485107.65 10654793.16 10258104.35 10320564.28 9806275.114 9548998.185 16167986.72 10600737.76 10328900.19 10724499.19 11439138.35 11227749.58 10643197.08 11157270.26 11356120.65 11247022.3 11157943.47 10967169.16 11262844.02 11611264.41 10658441.64 11425669.14 12073393.67 12491480.9 11221455.39 10273006.85 10882419.93 11193970.02 11126040.02 11738070.29 11645318.4 3454.385544 37719800.45 887.2958421 Threonine 74 POS 42570.58018 59827632.21 32484.59135 18864100.85 18010788.84 17000728.44 17025764.44 22300395.4 18174782.06 19109512.23 20265628.7 17434583.99 17722624.74 18130216.76 18253469.51 23142219.42 17634787.09 20440969.46 20462770.4 17782775.36 17957010.3 17526409.13 18630274.04 23505456.68 18324862.5 19214287.99 20593046.79 17230546.18 16437038.24 16049381.72 16437247.63 16562941.55 12749723.31 596107.9784 17404866.77 16940458.07 16101421.97 17024247.18 15737366.56 11723884.11 632693.5307 15854753.56 15894071.82 15073189.97 15912163.3 15317117.83 9878362.732 695517.9227 49298.63998 58442027.61 47511.05483 17171446.83 17758266.91 18082763.55 17313329.62 21719975.05 17212774.77 16946209.08 17034767.02 17404231.81 16709760.16 16276004.68 17049304.89 22098000.05 17199024.15 17231733.77 16615996.54 16903189.16 16435268.61 17191266.74 17395391.52 22474782.31 17328020.13 17918971.26 17832030.4 16886570.9 16207796.94 16107004.98 17082786.28 16745545.82 17366294.74 19416147.39 16230756.46 15389659.71 15622207.43 15620240.91 15953495.56 17548191.64 18628007.95 14530808.77 15975384.27 17126959.68 15688646.13 15379825.83 17395565.56 18756408.28 48769.15156 59543905.15 48654.71048 17595077.28 17310656.54 17239550.54 18091726.01 22557960.7 16905903.76 17344170.21 17133338.21 16821166.44 17231267.61 17400846.5 17014520.18 22915729.86 17198467.49 17525391.45 17795464.07 17348289.4 16830232.9 16165777.67 17004373.75 22662071.46 18298479.64 16816133.23 18325015.55 15981037.19 17016227.85 16062330.07 16029727.43 15163521.82 14967038.06 17494853.47 15879667.44 16227030.67 15909161.64 14818582.56 16378242.89 16336449.16 18977643.82 15622617.93 14946986.44 15346637.11 14890342.73 15638101.92 15541941.23 17375266.9 39490.58252 60209273.88 27793.24124 Threonine 102 1640.375291 34587557.34 4103.020674 9505809.618 9145849.294 8428747.409 8560128.687 11878993.21 9245410.164 9514270.161 10705827.53 8710696.338 8866605.893 9525070.128 9071232.223 11763418.07 9026919.355 10672162.36 10629148.3 8987215.302 9149798.524 9078285.943 9487611.979 11860812.52 9444464.26 9709182.379 10578811.76 8828422.854 8158127.452 8181671.194 8382144.192 8336366.385 6490995.286 1086050.354 8793232.561 8838469.573 8126570.603 8579301.717 7980553.533 5730561.648 1313840.867 7952835.254 7911631.809 7736028.679 8021932.864 7646840.157 5010674.206 1303732.938 9494.659199 33227215.87 12053.73121 8771040.288 8849910.057 9222946.257 8402929.414 11280784.81 8767458.273 8713721.568 8631179.151 8848380.503 8251973.347 8383185.39 8597610.974 11629612.37 8979155.137 8388701.801 8479522.799 8568921.305 8498713.923 8586820.584 8746522.456 10976065.5 8822635.416 8692584.18 8789214.434 8638020.329 7979557.381 8123870.788 8448761.24 8585905.143 8985570.346 9989864.259 8184600.527 7681286.773 7952393.763 7841477.049 8313151.01 8877424.225 9726617.404 7477179.803 8057682.915 8699410.493 7944272.246 7760220.461 8910805.816 9488658.148 7084.025148 33383232.97 7868.629332 8328507.594 8512016.125 8902004.258 8765000.726 11402567.35 8626565.802 8676533.202 8438305.394 8506372.966 8523674.964 8779940.657 8622442.377 11613346.19 8910229.885 8705124.638 8844246.899 8635911.673 8691428.173 8504979.367 8342595.75 11890374.67 8648180.482 8548001.138 9108801.724 8056432.405 8469583.457 8121247.931 8012725.513 7580061.084 7872548.929 8743884.816 7918184.418 8380334.503 7851283.311 7435470.95 8281560.729 8338351.449 9982486.781 7714906.631 7578903.71 7617707.575 7512799.81 7898577.39 7811239.45 9020626.269 3114.894221 33295749.36 514.1262924 Cysteine PARENT POS 2477714.93 26553895.76 1899281.771 25524014.05 25641018.3 23228948.2 24264841.14 25802600.84 22023850.56 24208404.22 24635665.73 23179420.25 20402533.99 24039423.88 24262447.65 24342686.7 19906156.96 22634865.7 23797106.85 21441060.88 22414619.87 20511173.32 21660891.92 25455735.16 19925931.39 22686983.91 23726108.48 10168609.66 7654970.758 8832681.482 11301875.43 9574255.47 7660091.574 4776950.253 11928366.81 12516281.1 15351503.27 14505955.37 13261012.81 18246254.37 12034234.07 12438204.62 13601594.06 12155435.89 16038494.7 19255017.56 15641209.75 6645283.226 1885170.751 25280577.89 3477289.696 22275648.32 20151468.1 19611399.56 21759828.11 23737733.68 19946222.49 18633039.1 21504892.68 11995509.25 22828438.95 18908867.75 22831902.6 24326447.05 22761107.13 21246524.7 19365135.08 20814493.49 19493202.55 22990104.55 20338466.4 23617831.28 22098568.3 20287652.74 23583608.77 13122304.87 15560656.86 11106276.11 20065927.56 10322038.44 24687958.02 16821629.7 16677993.23 14655452.83 18018254.56 21537755.67 17382638.25 27643658.46 15907224.7 9289888.68 11264008.75 18729009.02 26267286.48 23033689.1 27434690.36 13115452.9 1110221.932 27542544.2 4925821.957 22229962.26 19940854.48 6882789.232 21287964.3 25041299.15 20837465.04 5636001.395 20959930.24 20468433.73 21596051.51 20600842.74 20357708.91 21235320.13 20868570.73 25239725.58 20708267.18 22060458.29 19062669.18 20104037.98 19092775.33 23523388.16 20782571.5 20904530.97 23285678.3 16583629.07 4733011.187 21981044.61 20871353.77 21117370.72 20862814.09 19840753.54 21972540.29 26044307.11 21510378.21 23956566.01 26564035.5 24468222.08 32695691.27 24247677.36 26086982.42 24934773.01 22694639.8 23200723.48 26360023.28 25965114.38 1025220.032 28195008.69 2104466.816 Cysteine 76 2617.951326 242494.1573 3241.647974 142979.1511 123551.1807 117340.0824 131825.8263 92351.07167 144858.1916 313809.4544 122635.1569 123765.0568 111224.5194 127097.1423 107670.4004 82970.10673 142572.3896 278485.6995 97581.28901 128580.5496 113154.5462 112201.271 120366.1868 102221.8454 116393.8746 233599.5437 110621.4057 1914305.861 1442062.709 2233595.117 2789739.737 2281033.785 1866003.477 125152.65 2924423.208 4261971.705 3483184.333 4572033.915 4439914.865 4788612.925 61768.63815 1985198.239 2589200.033 1901006.304 4138171.518 4690511.087 3978765.481 104681.3896 32191.93975 261612.0926 11290.11493 280403.8008 235833.7251 184128.0846 231893.4156 170978.9099 206886.1902 193353.7834 220621.2442 210634.6606 182580.3723 123668.5534 168154.0138 140799.1906 132873.982 163886.6936 132728.4856 148630.041 133222.2339 85421.61069 122348.8517 114311.0649 110210.6436 103149.7912 129193.0393 3994704.98 3084634.189 2573794.594 6259804.477 2543902.722 7538358.631 4107776.796 4585362.528 3913694.512 4531637.432 6009786.025 6278144.453 7902195.938 3185054.061 2304622.067 2592344.065 3967367.496 6877889.33 5549504.21 8095445.092 2839939.864 14679.55554 303148.4496 37477.43995 391275.7803 493251.6095 344368.5384 439070.9569 285413.8497 267256.5926 276994.0412 237038.1836 264783.4655 224442.4075 201452.9018 209696.7938 213702.5499 207178.0189 186035.8225 183098.3435 173104.0809 152269.0214 145431.1592 169759.3122 148389.0469 129376.8228 137200.2391 152383.8876 5430615.752 165886.643 6467553.723 6490510.47 5693277.624 5433086.28 5095888.781 6596304.54 7654467.137 6435411.162 6060603.823 7612904.727 6841577.434 8401531.087 6595997.424 6658957.39 6970516.586 6262045.586 6461807.342 6874502.753 6627041.555 62257.88392 329005.0952 24603.4322 Niaciamide 80 37198.37429 44894895.99 53469.12052 23646778.4 23488449.28 22202451.99 20976175.68 23372736.28 21128058.85 19529214.18 23288332.97 23644668.52 23088485.75 22171999.37 21882987.75 24389863.14 21155239.49 20290876.19 22931790.25 23237848.69 23141241.72 22597101.98 22314220.16 23700654.83 22086183.97 19724240.18 23424625.05 20474693.85 19205204.19 13280654.4 17873163.64 16243895.18 12497373.47 416777.6837 19433495.4 20951442.03 14398687.45 18022902.73 17491579.57 12200047.73 423231.6999 16952530.27 14557033.93 10452938.85 16712123.53 14804567.31 10127110.68 474009.9008 74584.94023 43277159.3 60083.55943 23484069.29 23730752.59 22882518.04 22813971.69 22560111.54 22758546.14 22396830.18 20675898.43 23056380.14 22238919.81 21797133.12 21946061.36 21995171.11 22639767.75 22238129.8 20714847.78 22391935.21 23063672.94 22615124.4 22105177.46 23019121.73 22732276.14 22344110.28 21020047.31 21734582.64 14273067.96 13670143.15 18257118.02 19162516.24 20328513.81 15336565.67 19926619.69 15233934.26 17796919.78 16131968 20817436.67 18991169.83 14163406.55 14389433 14298690.72 16181461.61 16409641.57 14487792.64 20033243.99 11670794.09 87222.42889 43159513.61 70153.58818 22944873.74 22745766.25 23452789.57 22940527.82 23176735.99 22024055.26 21812610.58 20480786.53 22607340.4 22763759.03 22720394.38 22430534.96 22758025.6 22879341.05 22313936.66 20594239.34 22438387.58 22773342.8 22680761.44 23010196.41 22714509.51 22714024.53 22185576.68 20371429.05 21507805.16 19614298.9 19451282.94 22108949.48 16154347.87 17156246.55 16915914.88 22046726.83 19948546.16 22486585.07 17900516.78 21861905.58 24536936.65 20861244.61 18437515.02 15957398.56 18328401.64 21339778.74 21917681.2 20216794.77 17160707.99 63369.39384 43138307.63 58408.47544 Niaciamide 106 10550.29564 1135969.213 9962.891989 446113.9659 454881.7918 414772.1327 401097.7037 452231.4904 388914.7424 363725.9204 419632.3096 463684.3629 446217.2845 427731.2177 398700.3036 490323.7797 383754.7052 379899.6236 402186.8303 459458.8376 436042.548 415411.825 423187.1543 449651.8772 420101.0475 352844.6583 441548.2589 364026.2127 350398.4512 238514.8289 309521.2022 293421.4583 218009.9608 10717.97108 331791.5729 374096.0333 239652.4725 331409.3211 303015.5421 219897.219 9842.509548 293799.576 254148.2222 167740.7614 291565.9153 255015.3247 169922.3537 5978.095925 9488.272463 1126573.087 9467.905685 449998.6981 450168.223 435832.786 453077.0065 425148.0713 423356.4564 432597.814 389642.508 451354.6614 432338.8402 412381.784 429551.364 416898.2133 430372.7518 421302.3761 391116.3517 438599.5737 451293.9993 420934.5763 415466.1303 443408.4032 446022.4618 429552.3696 399052.0377 395609.5341 240716.1104 253276.5592 316475.1589 348429.4936 372530.372 267777.049 355428.9773 262273.8698 312996.1045 280098.536 381222.4849 341943.1076 247483.2796 244408.8966 262741.6487 288890.9901 293683.5781 262976.2017 355941.946 201452.093 10530.90223 1078066.233 9277.67098 456156.3953 440259.986 456011.7292 437930.5506 425704.7155 415640.8754 417711.3185 392028.0064 417704.9008 427363.5165 432954.2909 421628.0525 429225.5894 447387.2188 425503.7998 376701.9886 431752.0701 435253.0427 441153.8875 434464.8662 428563.6807 437751.1893 414175.564 386601.1886 376513.6804 339095.9082 348433.512 397254.2911 282261.3816 311361.493 294165.5257 390748.2435 352607.901 399999.2321 312938.703 367003.7749 422337.8077 374623.0618 331040.9823 270092.8716 332473.4077 389845.339 401372.025 376744.103 326604.5352 8038.213513 1076217.742 7598.892309 Isoleucine 69 2369.98084 89525653.42 2347.891223 65351866.63 64831704.14 63231000.4 59912093.76 82751352.76 62508190.58 63848395.71 78521133.17 61223315.03 64054525.25 63797968.02 62553588.47 83373578.56 62483631.96 70685918.79 78496495.56 64875408.32 64730935.48 63703303.7 64299494.65 83159065.51 64876080.83 64319682.47 80004212.1 97186767.77 86476507.89 83076400.28 88028027.15 92704269.89 79460021.92 2012723.637 95189981.74 89422631.98 84435034.43 85073625.2 87227889.5 71758108.89 2274601.374 89837831.73 87991938.3 83156468.18 81206534.71 82342153.88 63353443.9 2472585.545 10286.83897 88648532.08 3465.141231 62035881.97 62938963.67 64102709.91 62311592.53 81939528.43 62185087.55 63409243.3 62060629.2 64832798.79 60552352.55 60959952.86 61048784.02 80102110.05 62705576.18 60085999.67 61170607.53 62499907.79 61369264.1 61468321.3 61384233.62 81530555.32 62212201.38 61745206.16 64116381.74 89730745.67 79927854.51 77094926.24 74887281.82 74585874.74 80476879.63 86677267.99 82243791.68 79241229.57 78510424.22 69584078.45 71403358.49 81630652.5 85860491.44 79299495.79 83361780.6 78420022.83 72288416.85 71471633.64 79802950.57 82771399.06 2102.282775 89552617.39 2932.50446 62020216.39 60536311.85 62553496.2 62957982.72 82375574.3 61457129.34 60245588.86 62938334.57 63011930.01 60200289.18 64455888.94 65828840.22 81752429.61 62588348.34 60449145.86 65659473.03 62257106.82 62724829.68 60295714.38 59611410.06 81737926.57 63758436.76 62824397.75 64773103.98 79103287.18 82458672.16 75460537.32 81042485.01 77360742.65 78322268.07 80344036.22 76133030.37 79448827.34 81575642.97 75535172.59 80074920.27 85871838.42 88012804.5 81924651.2 75065704 77826295.82 75970625.97 77449819.97 77679849.6 82479641.7 2083.142185 88249824.89 7256.631093 Leucine 86 281.3865712 55179559.11 695.2835913 38154752.52 38158936.65 36728667.67 34676123.88 54599302.98 36939095.9 39202258.96 49943625.34 39231487 37715856.44 38878873.19 38343514.29 54128967.45 35054360.28 42262164.4 50636074.7 40753641.24 36479751.69 36987279.3 38310217.27 51347332.05 39016644.5 41277704.79 50159680.27 157434943.5 143488020.5 132460047.6 144868392.1 53745562.75 130877725.3 3112.252156 156653577.2 143977243.6 137263489.9 59827653.65 139826181.8 119499453.6 3787.699171 51960945.49 45640098.62 136304793.4 55250926.48 136194529 105731874.5 1762191.466 518.1449695 56000060.6 1843.767642 38952156.86 35928526.72 39884751.33 38898430.88 49965399.64 38262964.36 36672279.07 36103830.45 38286702.4 36084511.93 35763631.97 38118319.83 54487058.27 37792336.11 35543906.27 37690712.17 36695535.18 40631683.99 37020985.36 35606085.09 52376960.09 34536980.87 35788070.1 38010493.43 142698131.2 68704531.25 58204273.28 121837921.3 54791809.66 56465611.64 142336229.9 133359437.8 127300754.1 49755818.99 47014471.51 57336246.84 133202293.8 137313280.2 126801082.6 137831075.1 66992195.85 116387639.6 118193181.2 132451522.9 69506730.46 491.4816424 55559552.64 2292.191163 37168622.59 35238626.43 36423037 39101411.87 53176853.18 36646748.56 35903646.1 37746510.71 38002234.93 37008865.38 39382406.06 38898972.19 53829085.77 38373371.3 37638547.19 39522374.43 38538411.28 38460006.73 36739359.09 34909547.89 54943453.41 38307289.71 36451492.06 37996923.41 48309988.3 133908643.5 123919887.3 56431450.06 45629912.43 127644370.6 129124765.7 124479589.7 57811050.37 53891262.14 122694966.8 52254564.46 136348518.9 143060982.9 133933868.6 125054628 46124932.85 49515673.29 126551531.3 54336609.3 49851342.85 3141.323059 58371910.84 3508.968399 Asparagine 87 3327.70458 1667320.367 963.907713 10664876.19 10588629.29 10051536.7 9852913.603 10977238.35 10293429.63 10655732.53 11417506.13 10349110.69 10019113.15 9827139.118 10132368.25 10820279.18 10410937.74 11095069.22 10810806.63 10370389.7 9923058.553 10139223.61 10308368.8 10831802.58 11059351.5 10586766.78 10973681.08 34802301.53 31999539.63 34638189.64 32352821.81 36157506.8 26708056.51 172939.0225 37853970.59 33340863.3 35120524.73 32734253.5 29540707.21 21125068.22 222074.5661 33749631.4 34156777.63 35279804.18 29708055.51 30978869.82 14009358.56 217983.7428 4963.588973 1591652.208 1175.532546 10598178.23 10227930.13 10425270.4 10284927.25 10734518.63 10217237.91 10448040.56 10210911.11 10428250.57 9797444.621 9364531.709 10322163.33 10932877.49 10095687.76 9912726.787 9742282.005 10350335.47 10454905.16 9820290.722 9563860.406 10656514.07 9813043.648 10095048.66 10027733.59 28953250.02 31972796.26 31227881.79 27720625.87 31210778.52 28583380.19 34281749.89 27536562.29 28606902.38 26770845.06 25288062.9 24916603.11 29175441.05 35873552.38 29156702.35 35133973.75 33477155.73 24780482.86 24398127.37 27010486.58 33492184.86 2934.501067 1546722.563 831.4497825 10202858.1 9617525.768 10188402.27 10225021.44 11030728.69 9635698.309 9658282.896 10183091.97 10349089.35 10119226.42 10584551.81 10115208.02 10767863.08 10078170.75 9946807.178 9702386.418 10256631.15 9870283.389 10170704.43 10034559.51 11200892.24 9974470.662 9777227.412 9745139.542 27050963.19 27749928.1 28236256.11 28235062.46 27213853.81 27412997.87 24376045.05 27077865.33 29943574.07 25113269.58 26480177.13 29341206.62 29068479.94 27859466 28155647.68 28369463.64 27540848.72 24075406.55 25335045.26 25556200.93 23978680.08 2052.943604 1709897.358 2401.482455 Ornithine 70 64620.58872 36785.85104 21340.75018 37474099.7 35022712.35 31301828.9 29869451.57 20222578.58 30931598.08 31276273.52 26601921.76 35041969.07 31550367 30158196.23 29698227.03 19136415.78 31894378.61 31070017.12 27257609.13 33303531.86 31958662.38 32544279.32 32801567.67 21106364.24 33540158.35 30153597.6 27322084.12 29925724.31 27397857.06 21302210.57 27987994.18 28756514.42 20904646.32 641266.9334 31480472.73 28906294.19 20629522.75 24007411.12 24381562.8 15503109.51 611050.9896 25762377.15 21327985.5 16394862.66 20870235.38 21132781.2 13683614.34 752827.9146 91588.09861 74728.6249 35813.38792 34029389.23 32630264.44 32777015.49 33600531.5 21585587.28 36085514.59 36086448.08 36357219.69 34115339.81 33761746.75 34456085.55 34260694.6 19781469.88 33698829.71 33287929.69 34822792.56 33270187.16 33997187.94 34771043.69 33517099.88 20725997.53 34642952.02 34571342.24 34494369.24 28934806.76 19392107.18 21308497.24 25298977.09 29877063.43 30892244.89 35625061.79 26265617.61 21360320.02 22166218.29 19765336.41 26242944.27 26858193.88 30517172.85 20219042.82 21749028.33 23243046.64 19704374.49 19356648.62 25983376.41 24181145.77 172144.4509 98112.90741 64030.83476 33249708.66 31773491.89 32134136.07 32149105.27 19719011.87 34317804.13 35754424.22 34104497.17 33949349.88 34142880.21 33081135.74 33541789.29 21391682.45 34587609.37 34052711.81 33514068.6 34379053.16 33365790.89 35346150.9 34028817.66 21140138.1 34337628.93 33597863.51 33307133.87 26625377.08 23811626.56 24273311.22 28288869.2 25318465.74 23546744.29 25517027.4 28372635.89 26184701.69 26246484.5 21072707.29 26341255.4 31913376.32 31039700.56 25855968.4 20053810.17 21893820.61 23514997.48 24297365.77 23911246.77 23699807.05 90051.17233 89803.16123 79860.24518 pABA 120 5187.52792 52846.11049 4878.37845 143293.4715 138964.0106 137906.6641 134719.7384 629978.9241 136651.4881 141068.9665 823438.2023 134261.2345 142156.5958 143237.9603 137395.6434 616077.6093 130110.1106 141261.8755 811980.3915 138122.6058 137624.6703 136853.7581 151064.8694 634060.1879 128464.4619 137096.6545 824113.9346 70473.8308 66927.984 64864.46328 93290.41 55382.52731 103926.2674 21951.94473 68630.95341 69439.53193 43158.49659 61648.16007 62472.32157 56407.59802 16742.90366 62504.9026 55074.15452 40161.18458 57072.2901 46957.18345 50644.70697 18829.28456 2331.242393 54059.14549 3155.697595 138649.4074 142661.153 135363.1699 128762.1273 618313.7443 141638.289 131569.8417 143432.5016 137587.5549 135000.712 129775.2388 139426.3957 598282.3063 134682.983 139745.8191 135638.1087 130333.5613 129655.4309 138971.6633 128485.4083 614947.491 135092.6489 143530.0878 140144.4267 73534.06727 45640.63486 36786.99836 54133.51929 189559.817 62306.94405 55764.68649 46819.77552 27152.7925 66210.20319 44226.58185 89243.64822 56131.12362 49775.62061 37559.32242 46414.18142 36488.69955 44063.46102 49553.06939 51904.77698 38113.36509 2841.395678 53953.87856 1795.3209 135764.938 126155.1722 128447.7461 129818.6312 624975.8758 136183.274 129695.938 130237.3946 132417.0934 123330.6519 127918.9104 130221.6365 652712.8668 131995.7985 131231.9723 137660.1026 131371.1926 132865.2636 138117.6003 135350.5865 622454.555 141533.1962 119784.2271 127255.8471 63694.40804 65969.83987 50000.47095 96265.5122 26743.90063 31058.71233 40506.75018 54488.40737 52840.04178 62270.091 24919.83904 68283.07288 36446.81081 40506.99113 50647.70433 23234.13945 46252.10806 49576.56984 53079.28735 53423.96757 47365.98372 2596.677104 47108.53813 1360.527179 Glutamine 84 14508.61965 111682043.3 9860.442056 55786251.63 54014666.69 52900359.57 52264663.46 71036499.42 56307022.34 55576439.39 64780539.82 53524451.96 52155412.07 54630629.57 54688969.09 71039327.65 55504260.36 62146823.54 64008605.25 53084358.14 53264283.59 52622075.27 55588657 71527928.85 56054507.08 56637202.16 65147564.65 83377110.78 82193870.89 86844296.98 72614698.42 88821631.2 77244354.41 2587482.663 83902058.74 73287951.08 74270099.3 73025179.23 72154511.99 55527474.28 2792705.68 83107741.77 82421267.4 83303801.31 69004406.87 68322583.32 59907676.31 3622857.42 11025.63864 105610240.6 5745.109359 51982025.01 52442628.62 52768843.87 53274629.92 67409722.94 55334988.82 53884068.47 54971076.99 54210298.07 50609530.74 51832100.87 52804503.19 71036306.77 57283535.25 54703904.42 53968232.56 51160590.01 52465440.38 50558134.11 52018890.98 68666041.85 54600781.16 54429564.72 55219097.42 68328856.39 49597061.23 82564500.6 67260103.69 89419565.62 73959347.17 91670650.29 60944560.37 64449753.95 56192103.92 59288720.22 76134241.93 72561214 96342126.31 76958484.37 83337975.07 83948186.17 56053535.68 60482366.39 73560898.39 94331426.04 11475.93491 104944972.5 6584.098674 51046039.47 50459473.51 49176982.21 51239412.81 67936184.29 51250947.44 54642870.89 55733728.78 50636777.91 51996462.92 51582647.18 53643476.52 70820526.25 54295965.58 52019244.32 54620968.81 51271716.1 52193011.22 50404610.02 51135408.26 69967427.83 51080143.38 55435924.91 53986052.73 64825337.21 73451982.43 61528733.33 64738512.26 66165015.32 69166190.2 68504582.69 66786686.73 63385465.48 63593966.04 56170590.42 73855533.72 71804186.25 71538556.82 59659539.04 55339541.78 58536450.98 62007668.85 67227778.71 62779294.05 62741933.04 8724.505431 102664099.9 27847.19368 Glutamine 130 757.6060483 210184.7421 1499.386045 99542.46224 83998.00402 92506.11118 82546.16501 115641.1625 91526.53995 87025.47078 110810.2355 86182.78796 77382.45793 92820.62858 82557.8089 123077.6731 92832.94875 103677.5226 101776.1204 78808.40213 87562.73508 83045.01884 88979.58952 119581.9405 89779.36116 89873.16778 92811.81493 144517.9804 141363.9309 162686.4381 135994.226 165996.9659 136879.4606 4058.596301 143289.14 137480.67 133689.0569 130176.3412 122538.3939 95149.65821 2927.429013 160043.3314 139845.5933 139851.704 130331.6212 118655.2416 96442.20873 5374.80745 497.4050761 190607.9593 1234.196809 80963.25384 81788.26383 87744.72476 82935.20332 103703.275 89194.46494 97882.9152 81445.22324 95238.76047 78326.94412 79571.35768 87066.24721 112546.2976 83779.32112 88953.50041 83929.80797 85555.01893 88535.99273 91970.86568 86765.80877 117243.8144 86440.23694 89491.40069 87139.31949 119450.471 91146.41596 134833.6873 110980.323 170228.4007 136339.5626 167824.4513 106949.7719 105940.637 90492.51063 105786.9877 123302.4963 126485.0082 167840.937 137516.6004 152722.8662 156208.3686 101200.3938 96784.7499 122526.3802 163381.5012 711.2387825 196943.964 883.4619128 88868.13646 85911.93761 92309.88457 87963.48328 113844.3905 97475.68342 86117.94203 94101.99172 76909.94505 74154.29041 74952.74459 84892.24785 119434.9325 94541.08414 89438.81836 90032.53113 80164.99375 87545.7442 88519.59777 74752.747 110538.8332 78080.67763 87466.09393 90894.18201 108882.0514 129663.8399 99804.46632 94771.35999 121973.9172 114630.8364 117976.047 106943.4323 102932.3285 100121.2143 100593.5928 124046.5511 119034.5856 123792.1141 98386.30133 94414.31798 104017.7791 113203.8402 117037.4063 109442.883 110668.7147 1097.418281 188676.0442 702.5961324 Lysine 84 48033.77398 83742253.58 113678.9978 17764829.8 16375343.11 15858480.2 14726478.28 23808909.68 16495040.55 18699282.31 24703448.34 15772543.63 15931815.04 15230443.99 14985030.77 23756031.32 15865775.47 20137649.7 23354978.16 14836420.18 16017520.3 15966082.26 16359494.31 24320433.71 16615378.39 17318837.49 23913396.34 12798915.32 10987581.56 6993202.01 11245601.18 11959561.33 10265699.27 309544.1548 11864989.04 11900644.87 6896722.38 9609337.1 10335350.27 7740086.941 348056.727 10108016.49 7947072.312 5573303.76 8524365.154 7974164.183 7525563.191 361784.4958 31708.39655 73857595.73 119377.7146 14948141.82 15070654.16 15501374.12 15705772.64 23856669.02 16271233.82 16418669.1 16580644.62 17261204.79 15708079.38 15332022.41 16257557.03 25106822.85 16137719 15991135.88 15548244.77 15708778.74 16188041.59 15644119.52 15593277.34 24053985.83 15535992.13 15272212.02 15859369.71 12023983.88 6167639.769 6838454.345 9402420.041 11526363.05 11426178.93 12794445.38 9256937.461 7327191.762 8150134.248 7123500.755 9593999.769 10409483.65 10141111.89 7379395.239 7366543.3 8062742.228 6922682.858 6635475.023 9202543.847 8493323.711 49840.30765 71694271.16 102492.9787 14332243.8 14068790.35 14490371.8 14750002.9 20678130.74 14404190.34 15434234.3 15496131.24 15602227.25 14625826.48 15280383.64 16188095.05 24525593.92 15607064.38 15730277.23 15688247.17 15207513.93 15071688.52 14975490.68 15120201.28 24186017.97 16180005.03 15357653.53 15928745.77 9437090.408 8627542.44 7915383.883 10043775.29 7674712.436 7959509.496 9692351.116 10087954.88 8818937.608 10572760.54 7010745.967 9253906.031 11484321.8 12027893.85 8567173.769 6273429.825 7825123.264 8894242.053 8799799.162 8794344.171 9054301.845 33149.2118 73827908.74 77071.01568 Methionine 104 3007.683684 86087967.42 23027.88703 55473067.26 55380925.04 53385456.77 52744600.85 66230839.11 54620637.17 57631825.14 63237982.01 53172671.28 54306279.48 53709196.66 54111072.75 67403112.63 53193893.27 62137356.14 66392231.27 53958527.61 55448191.83 54158253.48 55300684.94 67400102.85 55270906.41 56363290.48 65676744.13 92616067.31 85369178.15 81564565.75 85444319.16 90363756.84 75623132.93 1447965.438 91073648.73 87210745.51 84002379.1 85341092.42 83504636.03 72208931.12 1461819.422 83733213.33 85307296.57 79102669.15 82228176.61 80547536.57 61013090.82 1713121.864 2823.007129 84016111.06 20834.41482 51958340.78 51131971.02 53962460.03 53202842.72 65017602.61 52579953.16 51787603.38 52002565.63 53167039.42 50569856.37 50971408.56 52035907.21 66346339.01 53442393.68 53237093.16 52217764.84 51800717.82 50348201.49 50976533.83 52279512.72 64730433.26 51176245.96 51521531.64 51579722.74 87297553.08 79661815.14 79436686.63 79252448.53 83051327.51 84650808.58 91834592.82 80205129.83 77582164.96 79499353.46 72920503.22 79561670.03 84562992.91 91976896.78 76928552.22 81564892.69 83763553.53 75363842.83 76821017.44 83876772.84 87197036.84 7119.208836 84351290.64 17184.76404 50667442.63 48935104.74 50964455.95 51603338.06 66032015.39 50521102.61 50195234.01 51869059.37 50943173.74 50126903.8 52618813.55 52966740.78 67474747.2 52305718.66 52202441.62 51881207.04 50761254.65 51059745.68 49707067.32 49696785.03 66015081.44 52336894.04 50834530.87 52072354.23 83852570.95 82428123.54 81037329.65 84728604.54 79120078.09 83065134.72 80995330.65 81330801.78 83507817.2 80834112.48 77670452.63 85668252.68 88787193.87 90698398.52 83681986.58 80219905.59 80814151.74 78334162.84 80674528.42 83241019.71 83942870.25 4273.533633 82325040.04 11217.34134 Methionine 61 1420.163575 42491192.81 10879.7506 25675283.22 25524518.29 24665321.82 24397928.83 31652410.49 25388199.6 26418233.42 30591672.48 24260155.95 24963733.03 24658726.18 25316517.28 31835629.78 24902422.82 29265712.95 31604951.81 25071037.17 25604505.32 25325733.92 25826008.2 31862291 25978422.23 26639620.62 31470622.21 45393282.21 40391457.25 38831382.38 40955692.05 43859283.7 37387080.3 630572.3875 44970311.29 42725717.53 39454115.24 41723082.47 39674966.54 33562092.28 652045.8355 41032796.1 40784653.49 36917375.53 39121897.42 38954955.01 28491499.46 745098.4641 342.1171738 41296842.56 10229.38444 23917602.05 23965749.71 24451614.3 24871185.97 30135400.06 24412232.22 24240867.61 24163455.63 25044086.72 22752181.04 22557588.22 23837922.74 30372143.03 24747543.95 24088761.22 23965154.84 23400672.52 23417545.06 23261728.22 23658438.2 30415671.66 23787768.85 23999758.04 24088219.64 42141120.07 37773060.41 37653721.42 38165526.12 39235172 40387136.85 44967763.72 37589815.83 36416675.49 37544211.89 34812418.72 37629148.74 40702740.61 44887800.3 35863748.83 39229802.33 39785028.2 35729644.38 35898423.9 40565435.92 41552029.94 2041.980099 40663282.91 9074.613849 23203828.83 22296652.93 23662755.24 23486660.68 31213900.38 22845193.55 23604123.58 23712655.3 23630940.91 23736923.29 24212789.51 24296947.19 30805042.56 23930542.42 23733951.34 24243061.91 23582768.27 23737263.51 22639467.84 22071901.15 31123903.07 23753823.48 23527261.18 24215702.92 40289285.76 39938833.53 38408458.31 40242340.55 37428880.81 39509174.85 37674473.98 39329433.92 40694573.85 38161053.84 36272203.95 41709121.74 42500307.77 43973001.65 40621591.79 37428514.69 38784193.97 37112787.77 37797275.67 39238230.44 40236943.15 1777.280804 40923118.75 10222.00594 Histidine 110 POS 14979.14601 196145750.5 44052.41568 147819866.1 147083487 143704818.2 138755954.5 156020166.2 148676430.5 149664505.1 164591053.1 142803909.5 148252854.1 148638970 157861891.3 152173640.6 148937404.7 151564026.4 152412263.8 142372042.6 142978746.4 143027022.7 155856041.5 157309058.9 148989847.3 149133105.3 152690689.7 119492250.7 108217720.4 103575394.2 109569144 107069713.6 96413186.14 3288674.723 116155370.2 117113003.8 99778860.32 107124947.4 108168857 91959237.32 3110054.008 109805685.6 106287765.6 95405520.2 102331689 101796802.5 90065557.52 4310417.643 13416.19699 198342626.1 18924.66531 157458109 156598689.4 155931962.1 153298120.4 153346221.2 146467343 146365959 144860237.2 159179461 141808221.1 143118815.6 153621485.3 151878877.7 150129315.6 142466029 153993788.1 149092116.5 143408795.7 143235294.5 142485108.8 152935527.4 143881199.2 156612808.2 141976556.5 114055135.7 99264871.97 100639856.6 98554305.99 106536223.7 105577435 110169127 99383042.06 101735018.9 94033888.82 93919738.09 104968990.5 108966746.8 106113440.3 100159484.3 101916125.2 97314309.23 95316465.71 94347972.21 107662043.2 101251259 14571.98434 197391507.4 32588.40932 153090940.5 144503419.2 154069569.8 142738435.6 170476936.9 138169031.5 153616074.6 145419727.9 152583803.4 142074505.3 154323312 145037246.3 159692606.9 142380153.2 151313696.2 148852944.3 138223135.6 148650752.4 155069833.6 142345368.1 158233411.9 146832111.8 141127105.2 154865935.3 106214050.7 110803380.5 101503586.4 106907252.9 102177704.6 101409554.3 102005741.7 106282337.5 106926963.2 106723414.2 102566855.9 107528570.9 112152393.9 113451606.5 105361434.6 100012066.7 103072110.4 107052973.2 103213427.8 105217488.7 105066345.4 9923.078054 193982282.7 49296.02705 Histidine 83 3863.666941 75811278.29 13162.11864 49569866.52 48852912.56 46873570.84 44778672.36 51721167.64 45823002.59 48000097.76 50301809.53 47925752.53 44845049.12 46846412.97 48735311.73 52092315.77 44513102.43 51237471.87 50071015.78 46561851.68 47441744.04 46936889.09 49410861.46 55233773.39 48067250.25 50397335.79 52074678.07 34149492.68 31674000.24 28561664.47 33007309.79 30791728.74 27140535.45 811766.8329 33038254.25 31632531.18 28166181.47 29979223.18 30523873.66 24301926.23 786353.0036 31821887.85 29076000.08 27289088.49 27759972.47 29271141.15 23189215.83 1060682.392 5366.25709 74959166.36 10372.23282 46204902.59 48017827.13 46202542.26 46513797.66 52124001.74 48066400.83 49006318.42 47335960.52 50073171.08 44267346 44391528.33 50483852.45 53280637 46965984.1 47455169.34 46642191.87 46778274.53 46292302.03 46207226.21 45026346.35 51904696.5 45688401.22 46492284.42 44734042.39 31928553.3 28148934.15 26628490.28 27449243.23 29573816.44 30626356.02 30903814.57 27839859.35 27080106.69 26338503.34 25814452.28 28637224.22 28823236.29 29601579.84 27230196.12 28010862.91 27086246.04 25993407.82 25760245.37 28915947.86 28281924.17 4949.277083 75141180.87 5474.348616 48547402.67 47511564.41 46866025.01 46479839.36 51427015.52 43554516.26 48243345.47 48356415.29 45739678.41 46201493.67 47233865.26 43940113.33 53251197.66 47383198.63 45368477.62 45340041.13 43031474.57 46138402.48 44735070.2 46289618.72 53822974.13 46691013.03 45033058.39 46006964.4 29076563.23 30576186.73 28266354.01 29704303.8 28001908.83 26807828.87 28555901.13 28412777.54 29842036.11 29719784.87 27621750.71 30206262.85 31194353.74 32720634.79 29477069.4 27410753.61 28531439.96 28508409.12 29707164.86 28901343.77 27752490.07 2914.766879 75654498.88 5113.094155 Pyridoxine 152 18092.272 49125556.52 20224.6905 20402654.8 20741197.28 20146382.93 19264629.72 23350524.18 20220873.4 20200943.22 21747505.99 19940214.77 20315722.69 20091195.59 19810340.18 23984381.86 19992910.58 20772997.07 21736386.5 20164999.48 19797021.71 20216448.67 20143668.33 23847571.33 20659615.32 20323965.96 22359152.49 15013462.06 13777419.04 10616147.93 13403620.21 13765694.59 11734498.48 206351.386 14369988.36 14375151.65 10122642.74 12762016.6 13011887.79 9527716.849 237094.024 13092136.27 11416940.22 8436789.186 12012152.19 10603737.36 8130390.439 252977.2425 18267.613 49459472.45 19991.484 20791736.61 20658537.95 20582035.98 20391561.38 24225991.81 20838776.38 20854826.37 20561049.12 20662447.18 19589461.89 19096191.31 19359328.6 23658337.21 19476135.55 19822701.75 19743999.9 19279203.49 19529653.8 19658135.57 19146593.05 23926333.14 19534643 19442373.03 19915099.44 14547222.02 9203378.945 9877844.006 11318946.82 13193969.3 12136378.78 12173842.96 11873605.52 10328125.2 11160479.45 9570847.36 11902950.65 11808000.9 11244560.55 10616575.39 10598646.72 11100653.78 9600446.327 8962832.597 11484145.47 9789750.451 17526.1835 47343055.69 6740.2765 20350841.84 19545404.42 20484569.89 19746435.37 24308836.39 19315171.97 20275158.56 19769934.56 18704952.11 19585612.51 19831938.21 19523266.61 24311254.7 20131188.38 20170872.97 20260603.45 19626101 19842349.28 19325848.82 19726023.2 23729106.75 20305349.19 20318547.77 20656905.4 12695970.09 11954936.68 11218958.09 12819199.47 9951776.042 10379328.75 10558026.07 12305666.47 11665250.32 13316417.11 10582334.36 12240047.3 13475222.23 13022071.04 11561477.52 9617337.747 11148040.6 12029071.27 11762084.96 11789051.18 11327742.81 12685.054 50070088.78 9196.724 Pyridoxine 134 601.069 40201491.93 304.229 16562767.21 16464771.25 15812406.54 15607183.26 18817749.01 15619598.67 16010566.74 17403418.87 15992599.36 16307508.68 15786200.93 15889325.08 19164591.36 15629235.14 16915911.92 17779125.76 16054404.76 16025538.3 16138035.13 16180426.6 18932587.98 16444617.03 15404933.37 17485291.71 12022245.71 10926178.16 8483555.262 10547541.03 10935326.8 9353699.069 153613.424 11571359.76 11360650.63 8175467.127 10330617.34 10334980.81 7637667.454 188235.7975 10475911.04 9010537.163 6778112.571 9604735.138 8415342.292 6519818.688 202464.3675 503.3965 40490536.02 556.0255 16808039.78 16280779.27 16420294.7 16270193.75 18845718.37 16723661.8 16325029.35 16688363.73 16558307.03 15561136.33 15115976.35 15887490.94 19026532.05 16198706.35 16242967.21 15803574.62 15245184.77 15767324.03 15619604.97 15484000.96 18734781.74 16037706.53 15920326.61 15886683.34 11573667.23 7367058.086 7855658.925 9145433.911 10437676.52 9551433.541 9883559.863 9263010.391 8145577.953 8870759.233 7534377.909 9604129.827 9451768.627 8961625.4 8547019.663 8480972.783 8884007.954 7680260.639 7272995.693 9156479.697 7793568.118 978.921 40204345.99 501.8445 16207562.33 15890835.37 16145078.17 15895014.01 19701951.41 15657641.47 16275820.21 15860724.56 15505510.13 15870711.22 15748564.61 16117527.53 19384152.87 15768773.56 15835188.7 16084350.58 15856012.85 15804287.71 15620428.39 15620433.97 19731866.63 16336949.89 15378200.49 16225250.79 10021015.86 9532761.648 8940988.131 10217175.88 7896115.923 8254904.061 8473242.638 9781392.108 9422615.441 10722351.55 8458066.965 9667439.838 10734537.36 10465520.69 9253416.323 7557565.565 8867096.35 9453715.307 9371593.15 9361545.227 8947268.711 1313.762 40656151.05 859.8115 Citrulline 70 5206.178509 71727.50765 4643.712032 411803.4299 388513.744 346908.0497 364303.3252 356231.8092 411927.5295 407663.2679 750435.7886 433530.363 397135.3374 387179.8944 400959.0357 364609.2462 380032.8067 463839.9776 1120122.222 377915.6966 393668.8465 373390.1904 416626.5735 354128.8135 394960.8733 444923.2093 767954.1324 355436.7617 325611.868 351001.8725 372026.5162 374252.7928 387146.6471 39220.48471 401027.4745 371423.7303 353102.5721 401897.8005 335425.4435 416898.1819 66763.06614 319342.5714 326775.5859 307565.3673 390675.8001 335182.0335 467925.1845 195966.9506 862.816713 73435.37373 1254.562437 367333.79 334451.2817 367287.8386 366198.0348 347065.3886 380163.0008 388397.7188 414432.2189 399926.7391 371003.3553 373069.8634 358013.8569 365550.0409 380120.3801 345390.6474 351638.7907 352375.7421 397365.377 363806.6704 327779.9207 343534.0161 368517.7927 381372.5629 362656.7698 344375.6168 336457.3638 337407.7971 355684.4709 414662.954 427324.2678 506892.4038 322460.5858 324537.3398 329277.1911 288945.3354 361769.9687 423741.3441 556805.6058 339252.3155 325477.5955 403124.4454 282194.461 320797.9115 435047.5842 443051.8095 3699.37872 65051.54071 4444.624904 363388.371 405764.3631 354746.288 937924.2918 353126.252 332014.4637 354168.7545 411252.8275 355854.6174 354322.9654 388005.8145 374583.0825 347034.1957 376724.6708 344245.4917 368356.5684 381554.3692 361730.2572 339913.405 369538.198 351393.3583 362797.5988 368064.469 366143.0985 325306.6372 573878.8532 330324.1536 383204.8492 1609908.343 355971.4477 371198.9024 534967.8586 352640.6397 308591.2313 355381.773 412417.7135 411818.1885 437410.2413 319483.2798 306858.2469 308781.2616 318759.1787 355600.2223 336368.2548 375913.0625 6095.888193 61424.57136 1501.889022 Citrulline 113 651.7597178 2428.069097 1570.163612 13674.17145 12479.82618 13531.61873 13202.51345 13801.81688 10862.54812 12221.83952 25076.43116 13489.98801 11572.35021 11962.49882 14209.88937 11970.03889 12720.90822 13722.34726 39828.07531 13848.01075 11045.09818 15592.34685 15836.26917 14055.65182 12680.57093 14757.68083 25310.69035 11446.84593 10431.90377 11062.14949 13415.469 12386.97869 11095.65507 920.5046749 18045.01838 10819.31083 14675.37346 11766.51062 9940.142366 12180.36342 2471.773458 13089.02707 9860.806313 9679.461491 16556.31081 10385.97617 17366.44213 6038.575836 438.7477082 2954.080999 1148.221985 13977.96587 13657.34967 12770.99511 13934.20899 13674.71968 12308.59147 14153.08528 12696.91174 11263.01977 11973.05959 9998.920667 10442.42723 10711.49503 13173.41135 10699.76376 10985.00255 10444.06508 11740.05015 15161.83742 14718.14438 12537.85789 10723.54495 13968.31279 14697.81238 13102.19705 9767.742168 13586.11997 13554.78043 11478.89049 14271.56315 19370.40172 10648.33209 10479.97199 11916.53085 10817.55181 14131.29967 14492.24969 16756.58988 8125.719558 12698.13082 13595.96302 10078.59823 10904.76448 15430.93 14717.45487 1110.760892 874.4978622 379.7678634 12640.57907 13371.35703 14582.78646 32459.10851 9775.169035 13336.87488 14887.54444 14347.1572 17000.34731 14348.21685 12786.48796 12071.01318 13265.21461 11980.82452 13610.43305 14706.68848 12210.65813 13193.91324 11821.00843 11980.20914 12570.49612 14058.90582 12399.88581 12370.72594 11036.7072 17565.70179 9172.45935 13016.42888 56868.45319 14982.87527 12164.34728 17448.50673 10533.23458 10551.66196 11335.05642 14690.03152 14096.58169 13153.31509 13377.54157 11648.23558 10700.034 14842.20341 10062.84913 11224.82089 13329.8439 721.0328745 2453.171702 1293.112135 Tyrosine 136 6227.230884 107478103.9 9681.406636 52825354.68 51319602.34 50613974.35 43866939.03 61463174.58 50234770.16 49586355.41 61671977.36 24547919.99 46683424.74 51037859.83 46250733.96 62443221.13 46479672.16 58129787.1 62012788.05 49273419.82 47408766.13 47744694.34 50504713.93 62144680.8 49924488.32 50648745.85 58022909.92 76567330.94 72049364.87 68413437.56 70143890.77 81046977.03 64293871.11 1326092.417 82875566.61 78371067.92 70967863.94 75569887.46 76861903.66 59743388.36 1468530.017 77750405.6 70912257.5 72571033.52 68678516.06 72466637.61 47799572.99 1717055.055 4665.589466 102809084.8 4050.126703 50322651.9 49821029.61 51779981.01 49877170.87 60264032.5 46385984.65 50590754.83 48950435.02 49560585 48801919.47 46086150.58 48534683.88 58978086.39 48968465.73 49092791.78 47966854.51 47549019.42 46884415.47 49585347.31 48799876 57883297.41 46929574.09 47041724.42 49473698.13 74591692.95 73976940.7 64037171.8 65706250.81 70604243.22 75657228.99 82754696.7 69541535.83 68990684.56 69332268.2 63872695.53 71066612.25 78807184.84 84662307.98 65743846.67 69512731.93 74333046.12 66389247.25 69385224.93 75442551.73 74565343.46 2231.595566 101911206.2 5517.111127 47163131.09 48695200.16 46504465.7 47452452.63 60840800.38 48355076.44 46197541.74 46553488.49 50888918.91 49622314.54 46685274.4 49987827.92 59106990.32 49298569.82 48116869.02 48219507.13 49311798.27 48593730.26 44262419.3 46100896.46 61601225.87 50445923.79 44769318.9 46839533.43 68445286.88 76486919.1 73052790.67 72962078.64 68293673.86 70110761.07 71684960.8 74730754.42 78199381.58 74941210.46 70791483.29 79930724.06 82501679.78 85601751.16 77970381.79 68943620.22 75745752.21 73539194.64 73201046.04 75777986.37 73175238.44 7106.95875 107711949.6 8002.612556 Tyrosine 123 1920.513348 93296079.42 3547.534711 43674412.7 42797993.35 40066994.79 38154333.42 50019781.27 44179403.17 41564004.39 49480154.21 39777254.32 41255111.61 41668597.65 39987956.02 50756692.24 37640236.69 47135477 51763917.7 21543798.97 39358076.06 42698299.35 40813133.84 52516380.53 42926018 42928855.13 50030061.87 64847795.21 57573843.7 58369430.85 59990007.31 68741348.53 57208978.93 1079685.607 73038042.69 65164651.61 63057262.76 63017905.46 65074871.19 49749634.97 1119136.211 63578643.62 65111297.35 62389970.23 61127408.75 62218223.29 42660669.42 1353041.155 1701.007075 88701336.54 2723.010073 41421766.85 38153951.42 42413757.12 39840194.78 49746454.18 40558860.95 40879824.22 42661938.43 40296637.31 38746390.12 39837057.33 40724292.66 49551697.91 39814512.3 39864411.96 39733771.06 38850836.52 40910708.85 40891141.29 37832183.99 47034017.28 36637659.09 40502093.31 39250133.99 59692340.8 60711080.6 54369787.75 56917870.25 61981771.85 63634058.2 73140403.33 58698096.01 57014703.08 56427983.87 53977473.68 58957297.53 64209820.68 65765513.77 53006054.46 58862447.75 64466277.73 56325153.12 53778994.15 61252465.6 62599835.04 1874.382616 90381020.53 2972.866123 39391581.19 39990883.16 36295701.09 40576710.46 50610260.87 38658520.87 37510807.25 40472062.61 40112486.19 39476841.15 39010385.89 41225378.7 49630315.74 36924638.63 41112825.3 39317252.16 37993764.21 38411632.82 39455167.05 37099913.87 48918930.19 40065079.33 39278985.61 37537662.1 60979801.04 59449090.55 60568337.58 61352538.76 59360252.54 60695575.72 56214443.18 63364086.71 67792305.77 59325447.28 55915652.28 71695737.86 71533877.32 68895103.45 66381207.34 59163792.55 62171319.89 60978403.64 61484123.09 60273368.5 61478004.26 3907.486636 90636390.31 7537.306372 O-Acetyl-L-carnitine 85 1844.284602 1114.198563 709.4610007 628262.7666 665706.0233 694363.8634 641618.7116 94075.80875 670062.9043 801185.0647 470705.6299 655272.0619 619441.1921 580179.9653 621455.7402 95797.99535 688110.8945 767901.9751 453235.1925 600260.7647 583576.6957 641796.098 626374.3461 105041.2057 667197.5659 719330.4293 474330.9938 36282209.93 33588756.25 36138997.16 35138215.31 35600874.38 29465891.45 25967.70003 39496599.18 36373175.34 39504738.92 36133656.11 32254712.84 29562491.06 55151.85854 36386390.48 37597842.8 36790492.9 33992264.55 33937448.35 25817674.57 37131.94542 1841.480217 1729.410024 2026.816195 641081.1605 609793.2293 613257.2114 635143.1577 89891.03624 662282.6577 706855.8902 2616977.416 574017.6387 575962.9742 573473.4872 569490.6524 106692.5368 616689.8759 662670.6984 625034.2173 579422.1298 566323.9553 597836.7309 575951.8704 104156.7211 650487.3794 647959.5018 597135.5039 35495473.24 37616463.68 37452318.53 37296963.73 36942151.79 39969410.86 51563504.18 34271695.69 35781446.9 36026616.51 35136284.15 35876364.76 41479069.07 53522038.02 32508427.16 37887417.61 40740587.54 35501208.47 37112067.24 42620692.38 52601897.09 1110.945507 1504.435068 2049.303873 623818.6418 608753.622 567161.5609 582267.709 89188.3325 669753.0973 706773.9556 782673.2362 614227.2076 614882.9919 572615.3149 589077.222 92207.32043 634867.6238 645151.6855 765355.1004 570567.8624 571998.9485 611769.9988 634153.6133 105865.8863 641377.4177 630564.8342 669580.947 32008697.48 35104259.21 35102122.9 37070787.81 39114016.17 43800248.26 50603694.49 33180264.76 35690200 32539415.29 34585451.3 42531537.15 42688946.68 57462033.55 36053337.96 35726220.93 35414144.05 33030708.62 37365221.14 41294856 53192432.73 1497.073879 960.7362904 1428.24742 O-Acetyl-L-carnitine 145 174.0238084 105.724284 14780.52757 16630.4501 18097.04109 15912.20042 4368.808922 16586.11062 17774.08517 8336.005646 15234.61223 15467.71741 14307.03646 17087.21715 3305.196512 17610.11871 17787.32565 10895.8369 11463.26087 15150.44137 16977.99974 15579.28506 4386.228967 17246.42914 12895.4959 5873.7842 715804.3054 669656.4529 738313.1328 697448.2706 704722.6404 588730.1191 3027.520168 817790.1299 719456.097 791342.71 726811.1658 648284.4914 569839.5655 3834.902604 714008.6028 736987.7451 734838.9571 680643.0118 705770.6075 501048.2757 3167.791982 25.4047497 102.9970245 11449.77025 13287.87079 12138.78201 16943.02463 4164.183173 16674.20979 15236.38417 58794.28479 14575.63219 15134.39578 17400.86896 14681.56189 1610.785168 12379.97025 16996.66022 16248.07682 14292.99892 12480.98546 13286.04229 12793.98504 3501.671916 18584.63 16807.81028 15331.90548 714913.4701 730338.0657 757977.6599 737208.6039 752292.8874 790795.1511 1017646.24 665270.4383 699391.8189 693095.2758 689674.9498 708662.1388 832396.8029 1037126.973 635928.8298 747920.626 772683.8356 702662.8636 739702.0446 813592.6036 1057915.129 106.9110379 371.1317175 12244.85069 9837.86003 14212.17171 13985.61181 1197.980733 17500.27673 16019.05285 16839.87222 15610.08981 15133.08183 14131.65798 12610.07724 1682.108922 13671.90729 13555.58727 16733.6455 13776.70254 14419.77796 14093.71094 12205.3489 3264.088817 12410.80091 14444.34092 11963.52016 627785.9815 679416.1673 709515.4649 711618.9276 763597.6223 879300.0375 970352.7511 644274.1659 716147.9014 650895.0452 691979.7573 842031.3584 843594.4207 1159733.964 687205.8862 689357.6888 705134.9967 606185.7137 740409.3399 787149.3109 1052288.775 Tryptophan 146 2145.049671 48907287.54 2384.391536 18289806.05 17482222.18 16725594.5 16082533.39 23867381.71 17859751.67 19777401.69 23505493.54 16744418.31 17651182.39 17175615.08 17125439.15 24605836.22 16952451.9 22043170.41 23670431.11 17352128.35 17619787.97 17779932.92 17646960.46 24575473.13 17991344.31 18952524.07 22775674 41220268.34 36412526.73 33851955.21 37153209.27 38481642.04 33556243.34 494790.3857 42116017.57 38875148.48 34871089.8 36225455.27 37546320.31 29781462.41 508987.2118 38619193.72 37515816 32963654.67 34601422 32607942.99 25685605.27 636499.4546 1551.764108 46409033.97 2599.636757 16861031.12 16572858.18 17161634.63 16457361.43 23803126.97 16965793.11 16947866.3 16490351.12 17632967.36 15578375.03 15974414.48 17023188.51 24441364.02 17585901.66 16257602.24 16580324.66 16335934.91 16514253.8 15923225.15 16307471.42 24243719.84 16159535.95 16435045.71 16098716.96 37891835.1 31826661.44 31626171.3 34239933.91 34055732.86 34313403.59 37163674.02 33086130.96 32556134.38 32134547.94 30636307.69 32261970.42 33356638 36851235.91 32082223.74 32834035.23 35281896.98 29986629.69 29242493.48 33985805.72 33260706.31 1854.197498 49217026.86 1476.361829 16510628.34 15643865.76 16011361.27 16970268.77 24610942.56 15353385.27 15295429.06 16429991.37 16772671.08 16321815.8 17086049.99 17642745.43 24987190.56 16319684.33 16571505.47 16189063.24 16440406.09 16649303.68 15290710.6 15391411.96 24805104.39 16572916.2 16787256.52 16770572.92 38300753.33 38134486.9 34836963.31 37078158.63 34471583.77 33322033.97 33203921.71 38110841.79 39233140.7 38226845.87 33712363.71 37573505.13 38811217.54 40202893.68 39148694.64 35891373.8 35629026.93 35384483.04 34972217.33 35019016.35 34451264.83 2301.743406 46867639.96 2276.849934 Tryptophan 118 141.1282389 17236637.27 190.6981147 6270713.089 5942966.305 5820708.312 5526193.906 8543301.818 6209788.331 6676014.603 8044992.166 5655210.641 5868642.911 6012306.924 5937821.93 8323569.163 5709955.036 7492362.857 8226216.737 5961741.798 6074398.479 5953857.567 6058395.389 8491663.636 6261634.108 6422821.489 8063697.644 14530943.1 12760985.63 11530357.2 12617510.92 13101551.07 11229041.96 164682.453 14580002.88 13295643.29 12187548.66 12637263.99 12442604.11 10271554.1 167943.7914 13200377.74 12843257.04 11351138.71 11754299.7 11599374.1 8896409.41 209014.5011 129.4451925 16754502 5792785.889 5555440.867 5850480.816 5854966.551 8234690.749 5877946.988 5561343.208 5643072.186 5923451.009 5404510.121 5559729.992 5805395.515 8438431.66 5804948.334 5718101.781 5574662.909 5550354.647 5586026.505 5533165.398 5602090.058 8194051.255 5647503.716 5719209.996 5562155.965 12972735.73 11097849.49 10799976.07 11016362.82 11380358.06 11937510.82 12658059.97 11851964.39 11419067.57 11061268.14 10161558.69 10759363.45 11669573.82 12656852.49 11309175.75 11843715.84 12058785.71 10392343.67 10079492.38 11565328.99 11492652.05 152.2588754 16713683.61 331.4158756 5687207.368 5181997.83 5436618.318 5613553.363 8371283.421 5372912.711 5488088.581 5674519.658 5639263.588 5419609.237 5699395.573 5873877.883 8564135.416 5633822.839 5644233.435 5694168.783 5656216.464 5482091.946 5237874.634 5175077.475 8507391.368 5634415.681 5446610.286 5699122.476 13393201.24 13271680.16 12350467.04 12698743.13 12000673.51 11577896 11468152.8 13599814.76 13515874.49 13325665.09 11530828.44 13051112.35 12869344.84 13849701.22 13555080.25 12124083.67 11969147.84 12140484.36 11922364.28 11866866.82 11935840.33 230.3748551 16612462.34 292.5193005 Pantothenic 202 17672.3025 13136361.48 17549.54932 1686168.073 1730384.238 1634635.832 1721095.741 1689703.247 1632369.797 1542515.112 1756007.833 1680652.314 1735869.655 1843291.415 1631899.389 1764353.51 1709352.605 1741192.956 1732551.169 1697330.745 1630537.161 1645481.898 1597410.78 1742640.114 1548056.256 1646478.724 1644898.137 7686533.559 7899628.18 8607649.344 7596438.377 7929288.391 7352826.824 601161.3165 8480909.33 8069309.699 8838768.597 8181208.857 7293812.273 7018361.716 612612.0226 8244063.385 8397684.058 8120524.342 7717053.901 7894423.565 5590767.408 406228.9828 16598.381 13014285.89 11404.23406 1794526.033 1616018.118 1771243.459 1744356.072 1777193.917 1621249.404 1509191.692 1303840.795 1699937.483 1712575.863 1657974.012 1565216.953 1824382.244 1588651.692 1474425.666 1271605.695 1531712.308 1649797.227 1638293.363 1634054.668 1797825.957 1655214.172 1386263.261 1282769.06 7864655.278 8692696.326 8998198.984 8535220.431 8071153.457 7695739.484 6606178.076 8190729.418 8432671.548 8385422.169 8566608.495 7769277.35 7487827.14 6463968.93 8120288.557 9009058.357 8914143.707 8566576.207 7641951.098 7880956.981 7052945.42 10988.068 12608293.34 14642.707 1739883.269 1659482.222 1671594.488 1703601.541 1817176.787 1583687.503 1543893.279 1272849.696 1656775.261 1685699.921 1625802.442 1567276.181 1889572.726 1598236.859 1527505.565 1309024.935 1685019.983 1640857.666 1613100.731 1621776.652 1819207.284 1405449.253 1416369.614 1370728.03 7683553.475 8393654.765 8612438.554 8427926.39 7670823.77 7903748.14 8262462.369 8401016.13 8411535.255 8091553.913 8138213.16 8477766.856 7419565.795 8467545.669 8303538.514 8543010.526 8434155.396 7689844.003 7951679.71 7409872.394 8551388.997 13421.71012 12981148.39 15772.582 Cerulenin 207 39072.58326 927845.9772 27241.92125 75432.71302 89969.51267 77330.93635 79366.00576 61509.34442 42587.15602 83095.6121 220766.9672 88093.88182 61819.03578 48042.66317 65232.40166 83790.53043 61899.46863 57069.4215 218806.4075 69347.69272 81876.50074 77783.96457 45787.75673 66828.42824 57885.59996 54758.63635 235643.3558 212801.6353 240729.2673 271741.4752 187677.9803 279037.6329 228406.3045 175452.7105 213260.0382 230971.4641 199431.8011 257457.3523 266477.1757 247813.7638 242089.244 181259.6879 306235.2763 225547.3156 334975.4231 180017.1305 227378.9082 199406.4817 37741.75667 916768.1082 58743.56311 41765.16696 43798.85832 57124.08292 79442.12827 47971.921 45017.04272 33906.79896 43131.27544 38343.54219 60944.68382 41811.94546 74236.62222 77173.69067 52367.03611 53595.67836 91699.17435 38579.38709 57806.36933 51040.33876 35991.61369 72409.98425 67851.00053 30265.32422 55121.65666 182753.214 167818.1117 227209.5249 204598.5123 179634.4255 128318.507 206618.9644 172745.8669 191442.9022 275612.21 164040.2765 147145.9601 159865.8908 171810.1819 204597.504 155127.9934 248842.6795 160570.1823 199111.9511 199523.1889 217063.2678 78070.57903 960976.0465 69667.30024 35568.99048 52772.10596 60144.8968 67466.2576 67900.0472 61092.05039 62063.40715 57800.42377 69577.29665 38959.40163 50926.57448 73492.82432 90903.27359 70587.35747 60394.37759 74527.22016 59103.31177 61059.45336 40164.54894 49217.92422 80650.6564 39258.33052 35120.06073 50404.78263 155623.5164 215760.5714 174701.1835 252510.3406 211984.5299 195252.9604 214199.2941 154024.6345 215813.4763 219314.8971 213529.1307 221965.1798 182500.4036 140421.5655 210060.0507 197421.4466 335110.4576 227916.2355 271901.1304 143050.7625 243326.3655 186653.058 973039.8805 230474.619 Cerulenin 89 270070.5724 89774.44119 274406.8103 693903.6852 700009.1274 625097.8977 615669.5518 341323.1484 264823.8391 361933.7898 237755.283 684240.2949 512647.8071 396326.5819 554576.8726 700576.532 446243.8218 323113.1916 307225.231 575320.6534 768148.9055 614027.8127 299741.5324 548508.6017 306909.0932 291738.7939 536436.282 1990025.964 2414233.257 2210686.999 1458173.117 2207469.709 1743524.552 1992399.475 2028303.414 2084457.163 1744418.062 2241876.402 2341920.789 2007208.418 2729893.214 1522498.804 2835350.63 2175161.917 2982740.087 1598709.7 1522981.617 2396860.928 294899.5622 88270.6898 273704.3151 322326.5856 389960.9145 434153.836 468098.9615 339825.7659 387381.2318 191369.1879 261418.6848 262731.009 410232.2343 320282.6071 639251.6394 704099.4465 416425.4113 441091.0691 667710.7305 285848.0821 387646.9663 385852.0651 198573.934 566826.9929 555080.1945 238678.6384 466587.8234 1747462.61 1596304.083 1921157.318 1947608.189 1372454.856 1110053.812 1970385.574 1438574.989 1639791.169 2500110.162 1470966.882 1193633.135 1393889.199 1530460.155 1897516.892 1352189.933 2086305.385 1461410.676 1815492.666 1790917.547 2207723.006 266415.5763 90083.50043 301893.9396 269662.3244 262705.0636 443314.0734 460957.8851 355263.8421 406265.4562 449674.5259 302395.4377 509198.2239 313028.6612 335912.1844 591252.1111 713200.9114 557602.9586 359703.2758 605930.402 355343.346 269720.0205 336408.0681 288892.1792 573843.7938 271726.2776 243496.516 426660.4453 1503198.281 1758609.996 1453453.257 2303091.347 1970355.031 1760300.528 1993389.736 1256624.137 1965465.625 1845618.273 2040554.852 1919306.405 1782320.266 1230855.047 1738346.016 1874636.216 2850714.157 1769956.421 2254723.589 1188884.688 2414766.459 280797.9595 90081.19279 310107.409 Biotin 227 23171.68731 155505.0795 26314.3927 5937254.449 6063632.021 5701399.541 5580282.402 5586194.049 5803641.133 5706267.846 5789187.955 5738291.886 5847573.258 5610682.794 5636136.034 5678307.218 5711186.158 6022204.577 5752197.678 5638943.628 5686053.528 5677303.461 5902986.23 5664697.011 5929545.195 5695875.523 5671368.622 12058079.04 11996807.03 12272859.43 11953736.79 12082512.64 10602087.8 53693.6 12784375.58 12596431.14 12970999.66 12854836.29 11736673.84 9896727.608 54427.627 12126702.05 11698452.49 11320619.6 12221997.89 11610198.46 8100615.663 64304.171 52896.458 126308.3939 44008.7255 6008704.027 5990612.145 5717153.408 5861790.128 5564291.847 5724604.382 5764978.826 5788493.604 5856670.102 5497575.144 5487255.707 5730803.003 5721862.587 5870882.542 5787483.472 5496858.466 5750664.486 5601032.183 5625408.418 5391085.588 5779666.865 5734302.458 5622060.422 5513034.451 11657840.19 11677518.07 11637117.37 11878797.11 12433982.38 13524687.59 16190915.12 11616689.8 11434387.94 11794174.92 11099101.11 12109793.21 13131927.82 16474474.16 11232725.2 12448872.64 12457652.44 11383982.2 11204311.82 14653758.24 15483727.42 58676.7645 142489.1704 57438.565 5855132.446 5697152.064 5627187.01 5697413.004 5851838.116 5527918.968 5756578.467 5527456.72 5709439.12 5556668.461 5738046.811 5765682.066 5700550.516 5659158.069 5534245.759 5310722.865 5501107.271 5607914.027 5656689.177 5704230.835 5539852.709 5564490.355 5378104.238 5276678.262 11954458.82 12263558.64 12647187.14 12669545.31 11618974.14 13512841.6 16769736.4 12860683.45 12533821.98 11814454.1 11525554.89 13491642.96 13757757.88 19202903.69 12938423.54 12327072.55 12463709.55 11325242.23 12916632.79 13231910.77 17932742.71 64007.206 138660.643 38443.59915 Thiamine 122 482.820489 4837.242474 7253625.889 35491.27243 1052.628547 149296.0375 180589.7604 546.4195221 2822.817941 7604454.413 106382.9859 12383416.51 20822124.68 243.2684322 3066.030718 6025236.223 9280927.074 8064408.057 9432306.448 7192067.567 38768.91848 9835461.725 11657116.13 24991138.87 23590158.5 23721806.81 21304672.98 22151775.49 20978713.59 25166381.07 25853988.23 23809790.21 22332514.76 14133398.14 15226297.64 25143876.06 25703106.71 12623962.78 23254705.88 22479484.02 22469130 12139910.8 11299719.9 570.8348248 40867375.68 5147.077245 Penicillin G 289 POS 2154.7945 1411.3505 1975.69 76888009.94 77573389.83 75201195.32 75565704.4 88719188.35 76074655.77 75379881.82 73987806.08 78249640.38 74868310.02 76366903.59 75909793.45 89415613.77 70190341.82 74748895.05 75209489.71 74711994.25 75091824.59 75383308.78 77669722.83 88723495.18 76141983.35 76106236.94 74625040.33 40085305.01 37016052.44 25643538.25 35017370.29 35417154.07 31318232.05 1326440.973 37698268.58 37666300.15 24193741.34 33721654.94 33960126.89 24084844.14 1387639.751 34566152.04 30061783.76 19659698.45 32176978.67 26782850.53 21775909.49 1539480.697 1270.4845 1653.8295 2839.1445 74001005.92 76264133.68 73248988.43 75088805.35 85010263.84 75162879.17 73782429.25 74150205.3 73078796.65 67138145.7 69944685.17 71989022.54 84691121.97 77638171.87 71884265.53 74132515.56 73089750.56 74639854.27 73577239.64 73344255.95 87707936.95 73853602.22 73420343.64 72988983.14 38795510.66 19971244.93 23216416.93 28967042.54 35250049.61 31781897.01 30990765.59 31553463.98 26014103.31 28745315.3 22665358.66 30788170.73 30725476.99 28110411.21 29915032.01 26547154.15 27291838.46 23931059.25 21052335.04 27977530.12 22016660.74 2093.7455 1864.471 2257.6775 75495971.54 74250333.2 73477702.41 72098504.87 85328189.95 70421469.13 71936058.31 73484037.91 71644478.1 71630786.09 72267194.99 70133270.04 81769266.06 72089213.37 72085121.47 71622758.11 70858564.13 70305672.29 70312763.19 73943524.98 81685685.27 71532560.37 69680894.81 69276884.05 33453405.68 31759006.77 28073944.08 33814696.19 24886472.84 25705035.79 27341885.48 32621930.11 29892191.83 34924431.94 27600115.15 30775848.49 34799111.41 31326855.7 30132666.98 21761102.86 28444823.8 32080010.78 31139122.39 30794372.82 27113255.67 3147.194 1197.4455 2261.7 Fasnall 218 1147.465771 1493.367253 1171.188073 1631.166338 653.1299331 1452.946233 2127.013093 716.4303591 1086.162518 1215.301632 1539.413197 568.1984536 649.5567101 807.0582993 793.5671837 1249.629262 1655.460988 1672.086583 911.3771748 826.6090711 721.8084103 1283.49894 1094.58923 862.0676112 1852.584576 2379.423397 477.4719667 1827.817279 2244.0734 1160.350872 904.8605534 1488.776965 657.9553382 732.9451778 1598.444372 1143.008782 448.8148329 1374.735739 754.2605404 1298.77278 1454.195987 1823.502046 1338.595754 623.7635566 1879.694526 2715.380658 256.7684275 275.6182762 1326.119016 1271.317485 783.6814617 1081.185518 547.0875584 1913.581647 1371.130565 722.1990789 521.1960368 1639.031188 881.8320144 1669.850079 860.5603759 1505.876804 348.4500924 959.0106835 596.9350053 1003.695312 528.1223117 565.9750423 903.4868961 1005.193499 859.1503234 1534.053493 1071.298677 1812.70212 1604.916032 992.6120931 896.3882482 2429.783912 1089.474498 2202.450885 1462.887171 1797.927075 2451.520877 1306.352354 985.4753889 1741.947598 2501.733505 1543.820056 1756.060821 564.9479265 1106.545999 1604.497078 878.5514915 1716.576923 1808.207622 1423.633801 783.6720653 1754.636898 1110.076051 720.8102153 635.4759303 921.4573455 948.1296925 690.3789914 1638.790535 1928.335088 1821.11622 527.3985375 1550.150034 979.0544846 2161.090171 822.7243212 676.4256751 720.4913005 1023.063558 1756.919431 1258.320563 1550.62349 1219.695436 1376.994907 1130.319704 912.6745736 814.5030014 1333.549856 1312.256929 2378.191922 795.1389556 543.4667569 747.5290943 928.0858927 2179.161443 1951.879299 1288.357019 1931.411094 1958.552732 1014.821734 929.3102653 1261.325273 1162.965571 1013.899553 1220.469512 1478.178226 1042.783728 1498.743968 886.4577903 806.68708 1399.79487 TVB-3166 116 956.0394494 306.276394 1316.664571 841.3862895 1188.968139 2030.370713 5744.078957 439.2783185 5563.393391 17692.20652 5697.114547 2763.417984 1004.565485 2078.418932 3393.212153 825.3200754 9892.523371 31293.63663 13264.15204 1270.807517 2264.223239 5330.032584 3650.142746 930.5310447 3263.227159 18158.48967 9596.297573 10708.8122 11967.07153 9671.750029 12958.31258 15380.25847 24762.97064 7494.643657 12844.91111 11352.65971 10657.52306 13043.35575 14236.07632 21448.57258 12763.25851 12747.39521 12919.46004 15059.75474 14804.86672 14454.62607 26631.00206 12291.39571 669.0133165 669.4956419 1304.642566 1663.36517 2356.60496 972.7880424 1389.905868 1189.217038 673.3212468 691.0661504 2978.728562 649.8442427 752.3087084 839.6985884 1014.091174 1189.962323 1619.155868 1852.789325 4236.375954 1135.183834 2032.665666 906.1723441 1335.59073 873.7483089 1725.432426 926.9692003 1544.680449 10884.55386 10704.82194 9847.347134 11854.31809 9821.285954 10227.76946 12286.37094 10546.57905 10396.05232 7786.277638 9069.327391 7883.418913 12422.7369 10887.39601 7991.504299 9815.432331 11803.61016 9691.889591 11594.52846 12766.85971 8686.988587 1612.253563 488.7794654 1568.26427 867.3633748 6552.790141 188999.0751 427720.5992 1728.847202 1963902.278 4833320.582 46464654.41 1965.958929 5592.612335 187428.2292 468287.48 1795.157761 1964170.929 5109208.489 46426110.81 4521.132201 5250.885814 172890.1934 425372.797 1077.409197 1969161.149 4935482.006 47083245.03 12628.16074 119420.2125 2765410.118 6742068.581 20806924.23 46270426.76 237809303.8 11187.84336 173466.599 2821369.652 5907427.086 23933746.45 48797989.92 250493850.9 14838.76229 157105.7149 2785348.216 6154308.431 22099141.64 45414742.65 239968222.1 4297.257511 704.4550506 1480.493739 TVB-3166 342 25.24318126 55.7755125 122.4413417 94.96207761 281.5452254 167.7092195 25.10805694 80.32304765 201.0720059 279.1712195 56.90325238 100.167122 38.26222648 183.4574604 54.11004945 81.78531439 142.3787735 173.3549478 415.9801058 498.6276721 575.7862218 667.0554234 488.6037468 238.3501799 750.4478724 344.1018217 766.6446558 631.9004122 663.5948336 555.6118251 602.0504681 431.6572559 550.7257266 530.1743505 489.3767331 282.5657476 455.0539417 526.6061471 729.9932608 80.40584733 20.51012005 20.02799342 85.04858909 20.97257454 14.91590619 30.418339 17.94729453 307.2540399 630.2959966 562.9220883 573.9923676 528.3352363 748.7713309 826.879969 382.7260305 583.0293068 533.1380602 486.0818624 403.0494417 591.7213704 527.7013741 523.8803819 426.7392347 715.7554918 774.054333 829.8821744 698.722202 492.0189658 10.49341891 20.51080501 367.8193889 7635.460476 21807.0742 96862.97916 231889.7382 2323956.575 85.18158834 169.5647033 8533.010943 11673.05901 94207.05212 242865.1376 2275608.886 136.0649363 305.8979466 6382.176633 13118.94404 58274.51181 239102.5324 2292295.8 449.9793211 6192.763258 125947.9136 323884.2521 1008197.607 2261969.016 18826459.48 664.2327264 5250.057211 134061.0127 287783.9227 1155235.466 2450070.101 21031249.45 1062.607455 7291.448418 129980.9969 295983.8038 1082777.36 2211242.316 18552097.25 225.1203385 9.712104191 Acyl-L-carnitine (18:2) 85 480.5468573 597.5047429 426.4582037 3639.370288 1680.916182 3733.543147 1912.792667 10910.49999 3633.844477 3614.403399 2752.045199 1453.336393 1377.691609 2608.815025 1767.82396 5202.815657 970.8484327 2577.033537 2128.967245 2716.227841 1346.679038 2377.105059 2748.944119 5025.744963 1425.027368 2803.278785 3679.223516 39049.33224 34006.81848 34587.6567 17833.03327 34518.22365 17968.40713 7992.865932 33991.65929 33799.21521 31155.8178 29963.83583 29680.48149 27269.79958 16429.09847 34918.41097 36906.08886 37887.70278 60499.04398 32049.3363 36413.53551 12677.69198 199.338379 422.3095412 483.808815 1395.773508 2759.723775 3653.328235 1767.819912 8159.257965 2132.619027 2747.681687 1685.193905 1512.82909 1028.804827 3877.538338 1143.646393 4473.248691 6875.278007 1192.111437 1715.41046 2877.545424 2848.832611 1054.431937 1351.151211 5392.013694 2019.323134 1819.506741 4113.019241 28234.7141 34855.17295 30756.13994 46372.31091 13250.38577 13178.54271 21826.5259 31898.63557 29745.45078 31505.94563 16883.04162 19791.99474 23894.17453 18926.10996 33259.15082 34017.93557 51862.30403 36475.31826 25383.64133 16486.99048 13011.63024 347.323448 421.3125327 443.795254 1303.496452 2594.687571 2063.880147 7814.106113 3007.329624 1533.101503 1968.046945 5875.803486 2322.390193 2603.125227 1592.218273 1228.851892 5141.007418 1465.200988 3440.191904 3533.42363 1207.988954 1837.03627 2666.935277 1688.962802 6191.21941 1395.474478 2047.179134 2150.8571 42646.35032 88779.68788 37725.21569 33372.26272 19958.78217 22584.11634 7960.239201 44511.67011 36645.95134 33263.99633 32512.06261 14000.00844 15879.3619 24139.42463 46858.61579 39980.20347 37372.28672 28518.84554 16603.93413 16036.97929 13750.66759 458.4968895 487.2499498 413.6000162 GSK2194069 344 221.3364787 108.881761 351.185798 157.1135546 178.2981706 506.0897413 231.0018097 251.57839 241.7120238 304.9291567 83.22944154 576.0616557 193.7532097 247.7823329 254.548308 266.7111224 232.4776102 87.08299702 344.8989644 324.0992015 282.7909936 374.4916507 117.2146793 272.2474238 277.8022929 296.4957794 429.5031869 430.9608891 154.3459919 409.1696717 163.0253442 284.7076244 195.0093372 361.2667877 545.9082614 162.147803 324.7600337 277.2095297 319.7627823 159.1293369 308.9971078 159.6941608 281.0517211 202.8894936 298.8014326 315.9270317 219.4506219 410.0954871 134.8266138 192.7805092 203.598319 110.2943331 219.328487 371.8155414 487.1929223 224.5494208 297.2467184 272.7428674 122.7533478 145.618152 309.3663668 406.9164136 204.0391552 127.6175164 272.0345784 240.0288661 272.7690812 185.9360656 149.2141458 246.8994156 271.8386811 271.7290686 249.6686583 273.9044287 203.9882397 200.0471064 233.8396531 148.9180441 207.7753639 377.5466053 163.9779129 225.5780253 340.303705 122.105741 347.0796226 219.4944613 128.0419959 235.1793076 311.360352 486.6665507 177.1967249 180.2207973 338.3137963 247.6829444 231.9600412 151.372415 130.5715279 180.7173403 185.6957638 235.9671993 154.2979141 350.8314798 202.2446984 113.4624714 215.8427911 212.917687 339.1618387 191.3591896 148.7235781 120.1785748 240.0670568 116.5773988 114.4140146 233.6261866 165.7798377 135.8276615 161.2961983 275.6909712 207.6896573 118.3247904 250.8225559 117.8714059 112.0505891 194.9690072 400.3245451 222.5962569 381.0893588 117.3485903 193.541378 262.6811488 199.6419925 251.2404765 258.0082651 167.1290544 326.3462582 406.4816683 157.9469758 525.692751 245.5907625 327.8015587 300.4353217 278.9736609 168.6183338 350.2612302 164.0510207 153.2418891 145.7784601 VY-3-135 412 5570.807711 8988.8957 5264.611046 21315.21213 12652.49899 11181.34456 7704.497415 62324.84845 7589.372563 19451.62713 13835.77724 12065.7133 4253.737403 67583.51991 8421.556319 16523.53097 8172.482447 9064.370055 15324.7132 12536.32441 9511.524315 5741.802808 22059.4166 6785.330592 14266.60959 25296.25626 10213.06264 123787.0969 93439.07996 38680.712 516631.3275 67654.111 34671.52553 99267.87175 25766.84426 51095.10842 46809.26667 37064.68572 50582.88208 28099.10506 65726.30963 85264.63198 34328.6359 15042.92387 58448.04695 21958.52545 1004681.409 42745.86654 2333.051889 2766.278075 2846.597098 8875.375892 123189.895 8943.491775 6001.343607 58971.63967 3262.391155 6273.351658 15036.27745 9509.212766 16626.45583 10977.65276 4696.469165 14603.45641 15606.18539 24842.97809 8140.1632 11646.62174 12672.95138 5607.841553 7139.895938 8317.084752 28790.70502 8760.982871 10646.97791 17241.82327 19072.85754 41395.50197 39499.40778 22916.25953 85646.35135 34459.42208 23884.98943 28784.37007 82671.01082 40647.20867 33448.10072 33826.26645 33298.79268 17351.21929 34443.45181 43963.57917 463336.6313 33711.43224 23585.03672 17230.91879 2024.94823 1549.292346 3185.621977 9294.371874 12209.0631 6270.927653 6132.972156 60611.59032 48930.17054 4959.53352 7011.573694 14326.68564 6446.245949 20569.87487 6458.923313 6254.615578 12048.69856 18000.11672 15569.50728 10308.41685 9115.921253 6432.557041 5061.702084 15962.66038 20374.23818 16849.24154 8055.260839 31183.78023 116909.4409 45108.82081 18884.64931 46933.14775 16932.0321 33028.9701 45510.46976 50842.87084 373407.8029 50212.90038 40180.90396 32636.52491 38263.55324 99241.17696 27500.14523 19170.381 19676.21643 26173.91802 46141.63652 28931.93644 4728.984442 1127.882073 4336.181365 VY-3-135 355 1315.413872 380.9378059 276.5992446 1400.455479 880.0914549 557.4664321 830.9503332 1812.62154 642.172824 1030.906453 2111.178811 857.7582398 263.6462329 2801.052729 812.459246 1194.300566 512.4095837 1040.912122 1309.204857 671.3510053 607.9368828 842.824142 1089.943558 652.1718036 813.8891681 1243.89579 368.446682 1708.604693 2744.022414 1530.062321 12398.68219 1232.376284 884.8394349 3008.571592 1810.563095 982.1891407 960.577855 982.5365825 2149.455812 327.1597185 850.8047156 2431.071427 692.1410937 704.9155598 1499.002932 668.0447342 23821.17931 414.6283237 211.2441733 187.9358115 282.6910542 1048.73637 4390.424667 635.0483087 900.0365107 1954.354659 540.3472614 433.7293276 932.9167511 644.0590563 604.4964096 700.2619553 768.8945076 656.8886442 1226.083336 1045.802629 590.9009108 1133.34001 1577.510124 845.7485206 1475.653261 948.3508415 431.1081706 66.98233718 793.2180507 1182.868822 1199.705981 716.9845361 635.8164643 539.6567333 2810.254826 847.9260101 545.4564147 271.7183175 1803.518236 685.4454085 639.6160584 906.5768204 1702.922764 998.1302778 754.347871 1271.823177 11274.47001 513.1639754 976.4735809 452.1114486 75.43738094 286.837876 765.0765257 735.7539975 535.1888309 873.78832 1569.110208 1868.820838 484.9192326 458.5532362 967.7831196 612.0891483 1412.816921 671.1463645 748.0873687 1230.003641 623.4751785 917.5210672 489.1318809 982.6016831 718.2385474 618.6843757 962.1873074 503.8720957 463.2324534 480.9422202 1368.436622 1593.347787 1924.362061 977.8817536 1069.333933 607.0631786 1171.189871 1593.644091 1182.125831 11657.87196 2030.503151 1610.460987 1387.872855 623.0314359 2317.227865 1033.631432 1518.346568 512.1336651 728.2791112 1304.719282 1631.938826 213.4308017 145.3041475 289.492166 TVB-2640 412 165.5055049 161.8487173 275.3822689 169.4404809 151.7300555 199.0149143 202.6977811 251.0191307 371.7969272 302.2376317 209.583574 145.8441368 85.70156004 176.3705662 239.0359128 195.9184833 215.906947 205.5775363 195.3932169 229.1319722 373.550694 198.6766106 254.770935 256.0150974 308.3851359 327.0553657 267.0550725 545.457779 478.8903123 413.3892653 522.2005489 389.7154589 1688.987546 438.2381762 364.6351416 617.556729 1087.518288 811.6521054 1239.71447 1819.132528 552.4248883 701.2140766 849.6405106 396.0128451 1060.298473 528.9657293 2100.69215 374.6114537 413.2433897 197.4219618 303.6696382 351.310738 10833.33889 225838.8734 519716.2683 298.4550177 2206479.335 6025815.958 57998258.34 1947.465653 9414.582725 228439.8528 532819.3432 488.2500997 2233674.073 6254951.478 58953058.37 1586.340494 5183.67514 196329.5948 524390.2606 225.7407476 2211761.376 5837983.321 58855831.96 1466.875339 170729.2481 4577817.603 9522090.196 30340183.73 63230962.96 253009738.6 5763.965921 197020.2476 4098998.084 9426951.716 29185328.54 62579373.84 254159664.9 8308.502053 205650.728 4169558.644 9019647.764 27315365.76 65493645.03 252179361.4 10179.81494 803.9904264 574.3703639 291.8595654 463.810481 289.8211158 371.0490429 503.8641482 212.0764939 211.4617298 286.7655049 155.822398 303.9044598 214.1013839 212.4458954 290.5896327 134.5396828 229.6893482 303.4597314 274.0520507 143.1625613 381.8199828 114.7930679 181.1237172 204.2515611 453.9213329 217.2393839 381.2522903 754.5908421 832.873757 545.5560427 424.3386897 814.5813938 627.6068098 335.2835614 599.7760837 294.234225 807.8263857 952.9752748 612.1570807 772.924256 502.9106947 444.5981225 1064.603632 731.1150363 853.9992208 510.8202299 430.283788 169.5400718 195.5203952 242.5548899 TVB-2640 386 14.20368796 5.625121045 16.04403164 540.7030147 30340.51121 74557.16276 307816.9674 858107.3046 8591158.746 56.04075136 872.8800333 16038.20456 71852.55622 325187.9618 903846.5546 8682120.218 643.1127524 14493.84003 73802.64885 322409.3289 824772.1675 8734127.529 127.0999606 22334.87507 659315.7807 1370887.522 4461454.824 9437600.879 67889362.46 997.6201731 26970.61437 576608.5536 1374256.556 4270177.312 9471502.615 66302117.92 1075.559631 27089.42201 591216.2961 1312519.623 3966567.593 9980566.645 64990587.04 2832.376919 Folic 295 1497.748955 3850200.041 2489.567503 1333509.396 1313616.927 1234415.9 1166293.034 1222710.006 1306160.995 1401141.435 1198043.107 1247231.267 1269283.283 1236406.64 1258262.637 1270113.573 1347641.513 1369071.419 1336373.484 1376319.804 1269276.636 1308733.895 1377602.644 1235504.636 1383564.699 1334314.609 1259549.093 1047948.724 932478.9679 514254.3493 851592.2012 884433.102 673206.7754 29456.08038 944815.6555 999449.9052 581569.531 891586.7212 831055.5002 639877.0778 35215.8197 816110.4445 726250.2604 423060.8639 726767.1989 612914.0626 532026.3326 34517.9774 1158.554886 3753369.326 1884.58457 1433401.876 1454481.301 1419317.789 1427235.511 1355440.545 1478298.455 1511221.815 1289519.708 1293932.466 1272009.242 1211285.015 1371627.477 1377699.298 1274368.568 1245659.706 1274740.129 1420706.617 1381562.88 1234307.406 1242867.174 1243323.656 1378864.114 1301292.289 1331625.244 962085.2637 386414.1345 497305.2168 665166.6845 786129.1082 792641.1206 694425.2406 716596.9737 601540.5109 630036.513 528373.1832 726164.9947 783673.1321 660752.0171 672833.7041 618508.9709 602546.5029 545855.2991 460300.2161 599321.9548 465992.501 1691.113625 3955155.523 2469.935556 1391084.497 1504284.029 1373310.091 1240301.228 1374098.441 1456368.54 1392991.643 1205201.328 1329097.707 1370081.835 1387900.004 1401027.742 1304126.021 1386212.381 1328685.08 1343010.083 1355900.889 1408274.741 1352799.402 1324287.04 1296314.019 1483239.589 1391841.782 1310772.822 817040.2105 690715.49 642384.1114 834730.4146 554737.4836 600241.8368 626835.028 778235.0835 728678.3988 851206.9944 648699.9344 701250.1915 927361.1613 806282.4218 719691.8639 485033.0438 664088.343 802889.197 733119.1031 706704.2383 614752.7668 1535.310163 3668864.448 3526.065355 Doxycycline 321 324.558712 424.4329506 190.878092 199.8711879 224.5520402 320.8249411 542.9948727 509.9515259 308.0187683 708.5752184 301.4570141 217.4882188 416.5709822 510.0756939 204.2042368 199.2821268 673.3427134 656.8863492 346.0104899 216.4431574 290.5619632 403.6611902 352.3079429 496.3144711 197.5004973 239.5387966 325.676228 474.0782089 1033.024584 415.9067997 109.8503201 234.8933605 319.9030495 289.7464835 405.1648817 414.564049 422.6331006 520.8818189 514.0324279 202.2364716 1722.638376 131.3838464 208.632604 1021.241287 573.6795642 219.9089898 807.2840812 600.7084927 777.6434857 226.4157827 390.6733401 290.7032334 578.7226011 290.430387 425.9095936 303.028145 240.9037535 436.8358259 134.8654971 353.134005 99.3023636 217.8541764 241.8975797 399.3021618 261.0087492 246.9729986 419.1890839 434.5522829 652.8796273 413.2579672 226.2045891 381.7398709 99.55048738 393.0583855 508.794301 413.1769324 317.1597811 249.6830118 411.225993 255.2737198 206.768404 233.2674329 387.0463937 207.7261508 219.0908386 317.3171262 310.5693106 516.8430868 103.9976423 413.7377974 751.3121107 226.6623784 248.9644134 245.1926859 525.5585942 334.0807207 411.7765767 587.8782307 99.24756142 586.3617984 376.7111062 116.0033597 856.220726 359.6835849 302.5577682 104.2485357 107.8319387 215.9888168 311.5743408 208.0104489 316.3403747 303.0765985 358.7472393 357.4699437 300.7697466 487.0158678 336.9961572 324.7302919 340.8880105 546.3976396 357.7657931 730.6213527 240.1140083 334.3386934 316.5698656 436.5580931 614.1922298 406.0388423 342.5610738 425.2885217 409.9405421 126.2417708 202.1462143 251.9851716 504.7504325 331.5950945 207.3226793 618.3865955 106.4748773 319.1939533 380.7959048 242.2850739 312.5144447 387.7888701 325.186395 578.8143775 Methotrexate 308 1144.98977 377.996691 736.726191 421.0363053 792.6470538 256.3213518 527.1376983 1400.626257 857.9999984 523.2707098 519.7693792 900.8915433 1254.639329 642.6186588 895.7159563 507.7403123 1037.741986 910.6470655 673.6959373 863.5952995 516.6899168 1254.087541 463.7038817 1027.63274 1303.037873 388.4737142 1172.873707 2240.091787 1205.401528 1230.847439 1215.710779 932.1119712 2041.160833 682.6873234 1072.158062 1471.313099 1382.796945 3270.366361 1912.867749 2114.601832 433.4438174 1235.244369 1285.760795 1769.609469 2898.888067 1345.628174 2110.751881 350.3658471 991.6407049 527.9502544 925.5779201 883.2850775 1054.090097 575.536775 1205.978856 1579.420812 826.5609595 897.4448386 562.4421588 667.5100445 484.6653163 520.0619425 268.5042749 517.4894872 1149.459977 339.8534533 926.1016272 621.6793758 637.9054265 455.5001671 314.83303 402.7311405 819.4405115 914.8729295 1140.658871 1182.953628 1915.934254 1380.39062 907.1332481 1027.958019 1343.70628 1495.975415 976.9754067 978.8746351 1012.867965 558.5154625 438.7262861 576.3258783 1624.465326 1044.828289 3309.471673 3099.999345 776.3474918 1745.038535 1116.034664 289.6429261 594.8488629 620.6650436 974.1003219 1079.946108 657.2873516 1236.124975 1397.512889 386.2711786 696.8472685 505.8235382 1309.585016 620.1247018 938.4516209 540.1558979 398.6994959 1093.148419 733.0514489 638.5354965 1331.213618 941.8059747 424.3500259 544.1025631 1016.297661 968.430841 894.7006598 473.2420579 655.3150114 987.4129953 1892.207946 1504.289647 829.3280893 1255.333747 1201.180781 2136.532047 830.3139998 1304.901387 760.2626299 2492.430281 777.0177885 1143.632277 2236.704854 873.1430414 625.2365694 1995.094446 1054.014412 1069.921943 1115.630034 2291.879129 612.5967421 811.6294921 699.1691708 Methotrexate 134 131.6625215 125.491012 187.110847 121.9704732 126.6907911 129.4231767 241.9420368 128.0840097 236.0360502 319.6784383 195.8635153 119.4380196 126.049401 326.1847856 364.8465666 557.4707619 296.5767212 147.9097627 286.2667777 303.2086488 386.1203606 354.0108538 534.1034439 1168.437853 139.520024 155.263256 525.415585 380.6478269 198.541368 112.25375 133.5274941 377.3998163 313.8321065 130.7211729 258.9633452 394.3262694 182.0521881 147.2019928 156.1861987 241.6230138 132.6188545 526.1703601 190.8442408 355.6907518 422.1727092 162.8381827 312.5062218 385.8690147 216.3850041 590.4455457 218.799602 278.9106469 118.7493211 126.305494 239.014982 137.7343502 265.7994995 259.5680882 266.366892 271.7281929 134.1939829 310.7675629 122.0887363 363.6548629 124.1944605 159.2999405 126.185077 131.6432909 259.6357775 197.1135126 171.9396194 196.5464114 504.225717 143.8737821 457.1492698 348.547134 176.3193806 141.3689629 145.1830375 254.2134303 Puro Heavy 121 839.4417701 614.8200208 656.9024955 1114.398296 322.6984764 851.2844047 1197.745857 649.0664542 768.9632821 936.8502438 1048.896543 948.621491 1309.361835 1121.197492 714.9791574 888.0571396 875.0419656 1388.644698 910.4335622 813.0349577 501.4867672 1166.718195 711.0226722 744.1013021 748.1759293 1122.256908 1471.789847 2677.026298 2260.184175 1995.708291 3050.681787 1153.553755 5447.518578 1579.458595 2258.537089 1525.385266 1744.924947 1372.164925 1644.669466 2105.322485 1555.230709 1422.519884 2289.762948 1766.784862 10696.73109 1832.287549 1748.679243 1297.039679 1017.995672 1423.426171 748.4425678 766.4859769 639.6987164 640.6761839 1142.968167 1141.992555 1478.522951 837.266523 854.1744069 489.9232784 583.6994787 1304.37837 728.1902892 908.1113622 1473.60209 1116.558424 751.4965357 630.0176758 934.5197069 490.1360368 606.1335951 1043.416572 1005.294426 541.0965934 408.2300317 2138.961873 1541.606794 945.7623398 1637.972668 3016.574844 2596.469847 2695.408708 1036.824111 2044.596478 1515.343722 1783.375688 1766.537997 1719.31084 1695.977377 1422.205249 2295.894598 930.3627877 1995.836994 2473.228391 2592.006651 1574.850383 805.4122817 688.5449453 365.8046078 529.4441765 1505.44271 605.2322656 596.9490567 1151.274989 2761.483853 1115.36841 904.7009789 1070.615374 811.8076186 840.122817 880.158108 1056.192101 1682.81764 909.5250641 774.1494958 919.1650016 1481.066197 1092.310621 471.3571646 1151.695496 391.6742156 1194.890172 598.3100892 2263.747337 2483.020143 3696.220723 1875.45818 1554.596569 1989.552688 1744.232944 1837.944867 1230.920044 2401.468024 1695.222506 1243.489934 1538.594059 1407.753509 2212.101869 2205.207866 1897.332636 1783.907188 1264.821185 1548.456023 1815.083004 651.5469024 830.1983506 800.1767377 VY-7-137 508 2937.153129 1302.444201 1421.760723 5824.968441 6927.761326 13618.13935 10924.09824 37499.4958 15838.80815 16151.59103 3792.003177 8078.097025 10267.90546 14506.74004 8581.704099 44273.78339 12344.23244 12920.55025 3309.082503 6056.512032 7872.502256 11055.39585 9738.586589 20619.52166 18719.24501 13191.5159 3781.401778 46650.71108 71993.13984 73920.53935 183739.3244 85179.07746 92219.86961 44572.47673 82326.94648 74406.43216 58170.17297 82713.98506 89094.93538 74066.83279 22996.44602 57019.90797 46002.15473 62846.45547 85819.97352 88659.1351 135653.4845 29564.38371 3017.176778 714.2334043 3401.38936 4317.486336 5125.198412 7279.658229 10699.81054 11909.62011 8180.802119 8291.188888 11967.28879 12235.6377 6561.243777 12788.94669 10806.53035 20584.84744 7996.253275 8777.801355 12575.64641 4341.231069 6779.201645 5391.274503 11427.63147 22211.10657 11357.66075 10613.25849 11605.20644 71482.83275 92044.55409 74399.48188 75070.9622 70523.10347 98989.9995 147642.2137 83122.7921 86695.55368 99926.96493 80950.91097 71765.90901 121039.3599 163708.435 44088.40478 81132.00912 102357.4283 93078.50292 114318.9162 117161.7666 174348.3187 1546.049688 1767.573068 2848.300807 8395.475316 6241.398094 13218.14878 7527.817247 46370.35588 8336.997923 8466.247114 11227.80583 11395.40822 10264.85674 6879.001774 12135.07053 29846.91727 10932.7941 7389.390637 10135.73867 8105.869104 5910.257443 11542.83917 6119.16321 23207.85363 9894.65838 8936.127621 15750.14292 58573.91499 79329.1196 74212.7596 75733.50637 97272.22646 116442.744 111027.3815 56875.05487 70420.35093 42857.20154 90733.54927 94444.73528 104012.6075 107759.6293 57756.10351 43312.59599 91496.30784 77471.2764 88383.6354 119140.3307 82307.4601 1678.107109 620.7640014 3585.598207 VY-7-137 233 187.6455 134.9985 239.706 125.304 241.293 362.319 472.2015 131.514 262.476 384.192 194.58 376.7745 520.467 134.3775 544.2375 536.7165 414.0345 7259.7305 599.3685 992.1165 468.1995 197.961 235.083 399.096 602.6115 662.1585 138.069 930.741 395.8875 532.749 608.6145 463.68 662.262 532.749 185.5755 184.3335 97.1175 196.995 179.2965 309.4305 137.5515 101.1195 208.449 189.612 95.634 241.7415 242.5695 247.503 189.612 265.029 532.335 189.8535 269.6865 785.9445 629.97 485.2425 416.3115 516.603 542.754 765.0375 561.936 830.1735 489.5205 483.8625 488.8995 971.6925 302.151 208.1385 979.1445 554.484 694.002 275.931 420.279 257.163 323.679 209.07 283.452 334.788 222.249 392.6445 133.791 249.021 319.332 264.9255 468.579 402.4425 131.928 464.232 587.742 330.5445 798.0195 672.5775 1078.7805 345.4485 796.0185 1246.554 333.1665 620.517 393.369 992.4615 468.027 466.3365 338.8245 468.096 390.057 328.647 265.8225 329.7855 257.922 NAD+ 524 676.651806 741.1557129 505.7816077 1387.147565 1815.828248 2280.124387 955.9180953 1510.568644 700.7787298 2293.2137 571.6442024 1193.943189 1172.489092 1481.240399 2651.729788 1083.306494 1231.331257 794.9483798 803.1920348 2591.656255 1531.201955 1132.178774 1048.484799 639.408569 1080.16441 9517.185969 852.0881915 27401483.37 24881524.17 25631502.03 29022374.94 27816710.77 28618666.8 91423.15088 30273679.11 28932566.07 32128880.2 31550141.4 29316969.91 30349714.83 88163.27411 26362782.45 28140951.76 28173054.55 28646812.36 31302658.84 25092849.53 107970.6004 1291.655659 2240.587082 2024.601952 2423.455016 1273.611561 2014.815125 2645.069425 768.2791633 1271.012902 1796.91795 2365.909169 8562.902158 718.6805741 1799.784624 544.3649643 1030.65499 2416.877661 1705.886851 1388.337675 1098.543645 1236.468908 1583.427892 582.7733032 1242.146028 1320.572265 1232.837011 988.0958861 27552533.36 30211120.44 29794261.63 30526260.92 28353066.92 30974270.34 32824811.81 27075807.45 28817315.99 26553579.34 28111036.62 26580380.37 31469475.18 34646966.07 24731089.43 28021829.5 31989021.73 28893068.99 27307029.31 31004433.77 32840325.8 4994.81139 3327.937743 1445.954405 1306.890323 5934.808539 2830.913772 2526.933465 2607.380747 1816.65191 1161.182622 8709.14519 1376.893765 1023.088204 5528.461562 4683.475766 1204.218846 849.2566645 1041.851104 1477.008166 720.6504991 1796.34575 1935.891044 2021.356806 607.9441045 447.5224183 569.6148735 1541.358519 25086646.75 30788027.4 29682027.71 28547216.16 26676167.67 26408665.76 27045785.33 26306219.59 31631573.61 27363457.54 26888597.06 30160283.75 28104794.78 31841396.71 29488568.15 30020840.46 30179988.01 26619603.5 26955661.53 26421406.36 28833869.26 4130.953304 3795.249278 2073.565496 NAD+ 428 954.7000023 861.0141038 551.9028402 153.8892543 78.87142721 472.2432013 798.4515824 152.4675085 477.0507457 392.1161926 534.238622 1814.617404 77.89766285 356.3980128 873.6577393 184.0128937 719.866907 305.0652605 1357.024476 80.12652934 167.1844748 801.9784151 11987.86714 39904587.89 37108199.66 41136328.63 39364546.43 43484000.94 43110630.14 104684.7071 43637041.63 40382039.74 46231049.3 43736118.54 40372857.42 42587274.2 102744.4734 39797291.76 42075417.91 43634380.79 39811737.43 44084156.27 36311635.5 125910.0652 913.217684 1384.244628 899.3883259 3157.071698 849.8106569 317.2040964 4018.723078 615.0224892 274.3871813 868.2203095 752.1464373 10946.49546 317.2023577 777.9636553 154.0781619 645.9778524 1023.113895 256.6674124 607.8031929 225.8061283 235.9675788 543.8030548 239.4645185 248.6110598 302.4206569 624.6493603 38836944.61 42258603.55 42077569.53 40458986.46 41494441.54 42042647.29 47559184.34 37475390.93 39176663.52 39218302.58 36062983.16 36605899.58 43219761.23 46841322.45 37236763.77 42979569.42 46299802.9 38707248.36 38494516.55 42813025.49 47082357.18 4358.512908 4686.389695 940.1273155 2020.739632 8056.726485 3669.58752 2204.574982 471.5989571 399.2297532 943.8222731 7136.799349 780.2611829 239.7107668 3315.128947 2475.132344 329.7818105 237.8227179 238.1099732 172.0740673 350.9822659 1037.567655 88.96122506 380.1569808 88.9098122 75.1952398 235.9435064 160.5391744 34747713.97 42239019.39 40712118.72 39690075.43 37361308.31 37642164.5 37471664.61 36325973.74 43125917.75 37510685.14 38063090.82 42594468.77 38124136.78 44505690.18 40340714.67 40567602.53 41575458.11 36309356.71 36746270.44 37373642.08 39454715.04 4339.049324 1799.146824 997.2615761 NADH 649 731.089814 1018.411471 616.1263705 1031.035464 389.4765081 898.6998579 1011.171208 698.8567499 323.8699184 1034.176367 1159.730824 1670.939541 742.9804334 545.9043213 790.8335386 753.6345037 466.8403711 813.2065642 833.6765882 990.0300343 832.1096161 665.0046559 807.8319354 632.8747524 613.1427957 917.9483758 616.0160582 1791399.878 1664065.885 1749341.862 1895569.745 1206110.813 998639.641 688.9271437 1821935.746 2103107.312 1889284.554 1916209.495 1757526.7 1614803.985 978.0149399 1894156.079 1806686.881 1553862.892 1978233.832 2047109.054 1473835.035 582.4650776 1162.448214 1332.919584 379.1774163 1157.176312 1217.344193 362.2021538 1001.082684 854.026022 740.5363569 754.6968543 1017.956607 984.0018161 600.688928 749.5682143 876.4689223 731.8039691 729.1890321 706.7758469 819.0191658 819.5503369 602.0310516 621.1507113 811.4690624 714.6142611 758.9605871 1354.246885 776.7388628 1816522.986 1946806.876 1382040.827 1534484.89 441736.7106 1413524.756 869967.9882 2246370.896 1645322.331 1786584.875 1873429.89 1981507.438 1315215.85 756395.5241 1368453.236 1459631.677 1162472.685 1706904.477 1216866.833 1372600.847 876432.7076 500.3050214 526.1482824 358.6610636 1445.918252 474.8710253 913.1370111 925.3673234 456.2606696 452.7273918 981.2670904 820.5970929 1204.708194 683.389321 892.0805227 1556.333095 1965.693874 997.0317474 1053.457957 473.9375251 663.9400124 664.0041584 435.353506 903.2379135 939.596126 605.6030225 1126.938849 984.0961484 2632448.864 1875907.282 2339154.032 2121749.816 1862153.774 2153661.027 2084233.745 3510802.631 2212698.828 2180746.556 2158522.682 1955436.329 2640992.245 2477347.395 2825935.077 2267188.33 2217549.831 2343316.897 2306649.539 2362819.484 2369392.369 932.926013 715.8015141 388.0325029 NADH 348 81.49530081 208.0023175 81.61304604 75.70492578 73.08468574 76.69237061 77.46442097 83.60037668 69.55201244 76.07881397 74.9238463 76.00079959 79.87441485 132.8848216 79.15508649 722835.2978 690654.486 678120.7083 790845.5173 496665.7587 415612.5041 161.9425805 703391.1712 872396.0811 777824.2293 802293.0783 730437.563 667804.8525 774110.9415 697934.2953 637066.4517 830521.6943 831598.2582 612054.9982 225.2149676 72.4767811 201.0737673 147.6365786 80.45495722 220.9389572 75.65735751 145.9902314 89.5479756 104.1103026 85.34332701 90.28377037 219.9835213 75.35780136 229.1795065 751667.0206 782351.7426 574852.6517 676156.8676 202599.6737 604989.3159 389339.0784 957234.1736 664767.2014 748304.0467 749689.0656 842320.8042 583350.3817 364356.8733 582380.3734 598656.1269 490275.023 692730.7875 543590.2653 581983.4889 376375.1824 262.7843713 75.40822549 153.0617485 165.2657747 155.6017258 89.4846607 158.3580824 153.224959 146.4650155 77.96167612 76.8920912 156.0901835 1077989.66 792751.6832 935030.1054 868620.427 789604.9683 868284.2523 867776.0573 1431531.411 914733.1466 894164.7364 915573.0347 838748.6621 1082051.434 1032717.745 1116931.805 970290.6241 931334.219 956970.4693 955374.7606 918947.3702 961286.1515 76.62650687 86.83876753 Methylcobalamin 147 210.0325834 511.1317728 120.4371307 130.2795215 183.5901796 193.3174273 223.2282228 109.2428958 339.4266828 259.857114 100.4563654 213.9919917 260.9522466 125.5878388 143.5331234 125.2411742 195.5686493 124.6955317 107.4224593 96.42519481 177.6638317 118.906227 322.6964751 208.5775112 196.9916182 149.8573479 128.8937434 645.3250427 498.8694556 326.6682926 601.4561666 726.3002125 321.6455153 287.0288714 479.0937793 831.9569799 951.1189253 608.6870221 309.6685356 675.6060649 565.9692447 728.1370095 596.6239835 710.4921075 676.8179742 735.4437925 562.8205644 451.5332587 280.4699338 395.218803 255.5000888 199.4181074 162.5840647 133.31415 235.6082374 217.2591729 136.5308924 132.7446932 222.3599055 155.3065587 243.7555961 93.99597411 306.8206912 158.613504 142.7226581 146.5733358 155.7531262 132.2001417 267.3461967 165.1743818 75.36909227 129.662078 133.8609657 155.4660964 178.6671666 309.2787002 649.958789 565.1166001 480.2897261 414.8917721 1175.533667 858.5068758 476.8567309 466.4607266 402.0067969 775.4059919 927.851153 1051.927225 473.8397855 1040.154528 987.8119954 768.6197768 754.9698317 952.7309728 1851.036204 1023.566643 362.8578204 308.5510805 404.6995533 96.09419844 219.5191108 143.7293755 138.0848056 83.0059472 137.1958109 123.3397486 113.2136647 200.4160435 196.5144578 182.5511509 240.0537828 188.2261032 319.4007961 135.723111 168.6905536 209.7307028 147.2283639 204.7533659 106.2919183 185.8841261 245.5618092 150.2382436 196.6512584 500.1626457 637.9902222 446.8398309 403.4002969 1118.452656 598.9121275 734.2552556 1488.483759 730.7138582 892.4389596 661.8708919 884.3257741 596.2131573 664.399313 471.2398859 582.7278394 628.8402964 912.1267994 237.6271803 887.0081537 382.7631312 213.8634375 1176.556598 280.9280829 Methylcobalamin 636 12.43840958 Cyanocobalamin 147 173.6923459 1310259.668 234.3812325 7717.332751 12477.27597 8084.369383 13959.09127 18256.33949 7194.703087 7619.953278 7448.920215 8421.959446 11436.43622 8362.930823 5935.058222 11777.13129 6251.014081 17637.1546 8804.101861 16218.91403 10331.19986 9734.214712 9078.282402 10385.9548 6714.318237 14731.1609 9918.451681 7790.462828 5785.681484 3208.469742 6858.84833 6995.063259 2274.183874 2939.595112 14191.24938 6485.36313 5422.623053 12723.61634 7650.597195 6533.114249 2487.940503 14397.81971 7506.782823 7973.316205 5838.429164 4892.827678 4082.212601 869.8566422 140.561734 2505974.115 141.0907358 17349.16979 7275.36356 6812.489404 6893.021182 10268.29813 10014.6515 8077.0572 6001.199959 6567.428714 11321.02108 8135.903302 6680.248851 12065.95362 8016.732145 5844.434072 9965.505724 14350.94441 6200.623952 6974.597907 14481.52906 10690.86083 16813.38213 6248.075992 7675.186354 6232.277034 5506.680089 7392.804037 4770.451045 2105.590013 3616.08351 5730.568905 4043.809146 5830.213226 6144.384539 7916.998353 3872.735204 5551.415735 5486.861699 9032.195924 2481.17271 9049.830205 3164.43279 3891.795969 3630.283877 2824.428794 106.5266741 1347713.995 180.3862326 9462.380227 6222.703143 13833.49209 12807.7592 6130.618662 7443.226575 8170.652382 11625.201 5253.537009 8524.790905 12029.10974 8127.796481 9030.284042 7249.69691 14302.59565 9524.120773 8150.031373 7985.04817 9720.30085 4417.814308 10832.04883 10270.98263 8504.849212 8182.974171 9242.481175 10688.95553 3796.27817 8270.940399 5389.086677 5841.886422 2076.317596 11519.86483 6921.5601 5874.157548 5316.318973 5956.811121 6183.957217 9074.802369 8870.212936 3390.080975 6034.691275 7964.814373 9469.074754 10959.40225 4993.389518 308.2864637 2670981.454 442.8210435 Cyanocobalamin 457 307711.6869 1023.68263 1221.018663 464.2540052 1701.080453 1142.587837 1953.141986 2371.316015 1147.099493 1287.622207 1480.877331 1059.463164 780.6324567 1248.356722 805.1492328 605.9807227 593.9211682 1166.151702 1456.936559 910.1300043 1102.988297 923.8251369 522.9634388 860.9663693 866.4177714 1208.461515 729.8048298 403.1138147 821.8858074 925.7486084 662.3564886 158.4064351 1588.644457 1188.808344 627.3884532 1459.898032 1050.884893 766.0152539 81.15997032 1807.185733 1241.044484 392.3816939 926.4249848 638.0991453 595.6711673 181646.1441 1831.088077 1089.516419 2557.65729 507.4618152 1375.118624 1426.269282 1853.961875 1665.73065 1464.057878 579.3951334 592.3657962 742.6434895 1917.723189 1313.698568 1503.908748 1241.75772 1652.705106 1331.613916 750.0006075 1434.320353 1054.021378 451.1277733 1024.519366 1075.560789 1660.042237 2093.787346 984.0034411 611.1054656 154.3861814 869.8463814 638.8910625 916.1186527 902.4835278 1061.082971 787.1255969 478.7118688 1357.140888 1159.366941 432.3272086 872.6485331 626.2152992 400.1475308 846.6651364 755.9824112 502.2061278 199636.8633 892.6400446 918.4047781 1433.486219 1477.406093 1085.544547 771.7610328 905.40142 1068.48263 1225.314243 616.9523258 1992.092622 633.4024273 927.1551997 1423.593396 1013.936564 890.8043415 1016.424978 1496.177505 1334.57833 931.8148709 1322.247657 989.3954372 1042.667982 478.0544903 1375.516453 1008.589794 372.4324675 1093.575378 610.7342904 658.3246814 642.1655499 1071.014607 1802.200402 873.9720556 709.9348795 1965.456023 1221.978103 722.4032233 1094.062158 734.5012783 822.4937751 1578.028285 746.2911093 877.1231951 478.6367558 178431.5533 Adenosylcobalamin 147 144.4585988 320.673748 109.3711236 331.9913463 310.4983777 163.9048294 119.2131804 209.6937262 113.9682365 364.447949 248.1213022 190.7207023 120.433057 147.0874091 238.0129477 257.9529186 204.1939372 211.9542392 81.02591568 167.1844041 256.3717775 149.8772262 311.4995429 235.6007422 279.1324079 82.55585815 249.8723204 1341.890576 307.2295361 447.8951601 336.783776 355.4865647 461.7486429 2118.014839 924.3834788 458.941253 477.6586339 438.1402049 478.243591 672.5563549 1475.661146 781.0468076 704.5100638 575.6536178 598.1087651 654.1259405 484.7190505 2497.504518 253.4760966 243.1220986 179.5542731 163.0265343 164.0514958 245.1428936 208.4089056 164.2517064 228.8157076 263.3113747 161.8936746 381.0767528 295.8944403 119.54171 236.4644554 162.0893525 189.3844215 295.3675524 275.6038989 117.9043872 119.7046698 358.9995583 142.0251136 163.7861213 39.14450343 216.5128202 205.9105862 623.3892298 1276.642923 431.7219031 995.4215713 338.1251493 1444.910701 901.0832704 675.1738035 750.1749327 883.9308956 709.1033587 637.1827444 360.128556 1441.506981 1043.089909 301.2579522 496.0301789 871.7261872 381.9413944 891.607843 1396.192754 237.4576248 416.0550643 266.9036038 41.87776098 206.5052181 232.0648653 223.9791604 197.7930348 247.401848 84.82005283 165.939609 434.6529899 260.940397 166.750511 258.9691585 207.3820344 108.7024569 286.6061003 186.6972476 341.4816206 325.9449548 212.7151087 207.1952414 81.43864931 246.8105838 216.8254736 205.7904715 500.9281733 369.6870235 524.5570332 567.8985596 690.0082751 1101.66853 511.2621011 483.5790873 654.6306053 446.1514764 746.6493152 676.0235656 571.2584687 801.2201573 701.4141352 647.3534427 811.2255244 850.5866385 524.3902877 595.3157016 678.247719 304.0580421 310.7330809 114.4847496 Adenosylcobalamin 341 189.9449456 352.5836432 48.01476068 135.6891999 147.8494393 443.8021981 138.4347593 46.01716479 46.70919056 90.78433933 46.83298912 47.19338268 90.12490259 318.4567476 100.8222299 171.5195694 87.03247657 332.6383405 Acetyl-CoA 303 102.4967236 309.3044567 146.1343325 281.6724432 223.9888864 50.64341259 66.77077883 66.57754353 273.9583514 267.3659519 164.5254662 149.2014203 71.80047387 85.37478486 190.9016448 189.5205979 63.5426436 467.0287231 153.8944024 183.6245972 103.2925164 61.70530911 111.3906282 73.49693807 209.0510374 568.9175027 144.8506029 5321227.579 4570928.455 5402303.223 5553875.376 5352029.666 4502348.502 3153.460936 6227107.633 5554966.991 7046324.903 6328649.54 5793405.479 5886354.396 3710.423075 5807746.189 6183730.982 6971654.833 5748751.529 6443637.626 4416216.741 6292.922031 2009.756681 1395.834951 1039.393495 709.2351702 971.140012 1149.489181 1245.277421 364.4695944 883.4649344 1177.203067 522.3925236 756.4630608 196.3739729 349.6559124 220.6275734 156.806541 413.8602859 315.726007 454.4025186 417.6685465 369.7932338 128.3550599 175.7376076 259.9795863 190.1988663 707.6919069 394.6501902 4924008.856 6529869.575 6233281.015 5685595.065 7144278.64 8003691.998 10490429.94 5380515.207 5985241.623 5781684.87 5632464.997 6324705.792 8840779.389 11028009.02 5120947.882 6743296.113 6985989.743 5715450.069 7568921.544 8216963.332 10922678.32 5654.975668 1290.982477 2046.488986 1157.506388 1350.640857 1575.557168 1377.024992 576.6971405 634.3373628 1240.255641 1527.549918 524.0804176 688.2960673 1414.430779 496.2173636 158.5982143 256.7527507 339.744657 363.674454 318.1673181 302.4670428 282.9540046 327.8333051 133.1689548 219.9609097 526.1503908 275.0694616 3796688.928 4769222.917 5092556.208 5036307.199 5560182.278 5863287.915 6329479.002 4389363.469 5613035.193 4832820.941 5340033.643 6210045.78 6538677.423 7337048.709 5204287.066 5320990.684 5333560.215 4662050.672 5263999.609 5818474.979 6583241.966 2799.8049 1149.822511 1041.393576 Acetyl-CoA 428 48.08304985 59.60559771 147.3896818 54.72186406 77.11211624 67.6813058 686424.2605 579214.0886 721608.7232 728634.3818 702099.5927 624959.7906 771.9802721 841192.6481 731136.4026 951598.0715 844415.7356 788868.1069 769300.6831 481.8964358 784979.8893 815606.5039 912130.8858 749375.2401 904066.5084 575580.0233 468.6078462 193.7199216 491.6455176 50.82854991 217.381425 273.1405418 205.8210768 335.5249486 57.36947128 130.3737973 134.1900971 166.0113629 52.35302751 145.0132912 192.2362996 110.8287654 82.61133917 94.68406859 74.94085692 597435.5194 870909.7761 835061.6252 785338.7801 869123.5426 1072928.878 1379828.327 703418.4048 828826.5901 743259.5646 765643.0659 839779.4411 1153871.392 1479350.753 684030.6096 876902.9268 942418.131 769584.2713 995239.9085 1099343.872 1458117.908 529.6267453 379.4367032 324.7661513 114.8022824 279.7798982 275.5037103 196.3954637 179.3512793 68.43118271 256.4967783 55.16700478 52.74320047 86.33474852 188.785426 499499.2635 664141.216 687830.5538 662969.8398 720735.8967 767336.7773 814897.2228 594372.6033 768125.0994 644038.4911 706807.9211 809443.1477 837192.8678 1030543.998 716431.4691 740091.4444 780468.3801 605557.8585 712831.1809 812809.7021 891589.381 558.7081445 262.4617295 129.1935372 Malonyl-CoA 303 395.3125485 107.0790693 181.0632347 246.7947645 193.734121 182.4737133 144.2615022 435.5715322 154.1194416 182.1741255 285.69401 64.27836444 156.4589856 152.7673933 115.1835418 116.2167417 166.3444835 322.4617955 128.1399965 184.6936465 141.2268276 141.3555899 126.9644876 184.9647617 161.6791355 100.2154528 253.1197276 97105.80145 89515.34815 88620.42237 94066.34249 77504.644 80530.82067 228.3317332 104781.0542 105204.6491 109836.1815 112167.3877 93494.41138 107864.066 336.2438407 96561.11602 108803.4223 116115.9322 92799.3939 108118.4345 76950.07401 307.0186641 440.560591 473.4424513 256.9396422 231.1101816 249.6715292 246.7086449 255.7519456 145.5441599 489.4542455 181.5064342 184.6986498 243.8073503 165.6408018 191.7386493 235.1507936 433.0156901 140.9020775 65.31523272 134.4273093 112.5870844 225.3484282 187.399374 64.51713502 191.4892432 217.2932374 222.3193453 104.1337581 77948.13317 96375.68577 99824.48537 104835.3162 424212.7661 1313468.919 3277956.114 91816.48208 99040.80666 99293.96407 94801.45249 373245.7441 1321540.565 3423719.159 88335.82333 99649.70055 102267.8601 102138.6729 436467.7757 1328027.276 3097150.675 2858.863151 1636.486463 481.8635893 548.7618752 375.7356646 297.955367 535.7558105 102.3067717 132.5897639 608.4539723 340.9021831 192.860545 241.1008164 203.1896328 397.9047587 274.4081897 144.783092 189.3032392 391.5433163 117.0439282 129.9672844 169.5507885 156.1564113 186.0995932 458.2475901 207.2494108 224.0340395 90220.69252 98644.0181 111031.5596 122226.7165 646254.1796 1416999.888 1709380.18 99621.12948 116819.3988 103500.2527 114318.4407 694690.0699 1488336.036 2233396.078 113636.5951 112603.2385 118743.4425 108112.407 617874.8532 1410975.873 1927049.777 2485.661234 697.1949133 432.5560073 Malonyl-CoA 428 69.96829693 73.01237224 143.233 39.34285276 78308.21235 69586.85595 77638.33121 69998.36813 59091.99231 62674.11984 93.03531701 94264.84324 83893.53529 93957.14105 88008.82668 77499.27827 86531.9283 239.9312461 78114.74555 90396.9774 94868.40156 72529.33514 93292.49214 57276.98556 68.67101139 30.3718977 36.3567794 76.50176047 105.2869345 36.6545315 109.2867536 96.55513102 61229.39764 71384.59796 81699.07213 85017.57232 321382.7993 982161.2583 2564843.578 76640.19738 74048.71713 72776.05689 75816.82995 279237.9227 990754.0515 2665513.912 64393.34079 74890.91977 84392.90567 82874.49481 331514.9338 1055484.424 2525359.517 2067.26968 347.198014 140.8354944 75.53314165 39.22839282 36.97656547 32.93129866 32.81206374 36.4646662 51.68371722 41.61165159 71.80736363 70787.81726 103249.0848 92662.08763 100432.9695 477592.5169 1120971.497 1275890.533 87897.87597 93335.09611 78781.11511 90718.87522 546401.1789 1127661.258 1694919.866 91531.11356 86066.18257 92792.57709 94098.40191 486096.1335 1110738.138 1481906.403 908.5998122 143.3517908 104.4455255 Myristoyl-CoA 428 85.09788599 191.5350166 151.2495601 114.6456671 130.4797213 165.0251055 107.3027302 186.7923486 187.3185227 83.97907609 54.06446571 57.79132498 81.90394797 165.3549215 87.68535772 54.53637067 53.27220335 131.9999165 105.8220765 130.6260992 178.7257375 131.0045958 199.1387315 89.14685757 79.94253146 82.89936436 82.8004541 205721.1849 162645.496 130931.5179 203936.5295 119157.9544 59182.74838 108.103238 238949.9617 245308.2421 310039.2823 211100.0103 164115.0037 134774.7469 218.9502121 218628.4471 230075.8688 302318.034 214460.885 212239.7485 156350.7569 218.7300668 138.3652326 238.7014764 80.96073423 210.7166636 116.1305767 166.0824542 182.3428794 55.56955046 134.3596291 167.0605958 67.29388389 84.30757332 110.9015234 132.2108658 110.1820321 134.3613435 133.6050941 134.1260873 110.9561206 99.81153215 135.4403747 104.2372775 33.37234518 109.5162518 100.7443757 77.19852773 224.0160731 195621.1337 319991.6458 235581.2622 115483.4007 21645.38598 34572.76724 19995.37793 201401.952 239835.1092 204510.2769 110556.4912 34297.50796 52540.57179 17277.60344 177028.1983 247297.7176 153362.5001 126865.4886 67054.89269 46281.84567 22347.9543 59.30819287 79.34793461 86.77753364 104.8751849 138.291512 142.3032566 87.7335222 52.40239983 112.9798278 189.6120809 140.4026992 159.5700474 238.7661595 80.64919808 32.95939288 116.4625583 163.031811 208.6132481 115.2424025 33.42970485 235.5145182 118.8991997 80.70912663 191.7015851 164.7263115 301.3710011 133.9514951 121649.1864 196663.2539 155575.3432 109433.4649 70185.71073 43897.15504 29429.28428 123696.243 207855.5364 162179.9754 170532.9564 50987.49298 45889.80402 27679.88222 212980.1533 238521.609 215895.6492 124605.0903 57945.40562 52391.28585 34362.55088 207.9495513 82.76639106 156.3291367 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name compound group name expected retention time retention time transition pubchem id kegg id regno Urea 44 Urea 4.13 4.09 61.0 / 44.0 1176 C00086 37188 Glycine PARENT POS Glycine 6.98 6.95 76.0 / 76.0 750 C00037 37085 Alanine PARENT POS Alanine 6.42 6.39 90.1 / 90.1 5950 C00041 37109 Choline 60 Choline 10.6 10.64 104.1 / 60.1 305 C00114 37073 Serine 60 Serine 7 7.02 106.1 / 60.0 5951 C00065 37123 Proline 70 Proline 5.22 5.2 116.1 / 70.1 145742 C00148 37110 Valine 72 Valine 5.06 5.04 118.1 / 72.0 6287 C00183 37484 Valine 55 Valine 5.06 5.04 118.1 / 55.0 6287 C00183 37484 Threonine 74 POS Threonine 6.25 6.19 120.1 / 74.1 6288 C00188 37113 Threonine 102 Threonine 6.25 6.19 120.1 / 102.1 6288 C00188 37113 Cysteine PARENT POS Cysteine 5.86 5.94 122.0 / 122.0 5862 C00097 37316 Cysteine 76 Cysteine 5.86 5.81 122.0 / 76.0 5862 C00097 37316 Niaciamide 80 Niaciamide 2.54 2.55 123.1 / 80.0 936 C00153 37778 Niaciamide 106 Niaciamide 2.54 2.55 123.1 / 106.0 936 C00153 37778 Isoleucine 69 Isoleucine 4.36 4.39 132.1 / 69.1 6306 C00407 1871 Leucine 86 Leucine 4.1 4.16 132.1 / 86.1 6106 C00123 42493 Asparagine 87 Asparagine 6.68 6.75 133.1 / 87.1 6267 C00152 37114 Ornithine 70 Ornithine 11.6 11.67 133.1 / 70.1 6262 C00077 37139 pABA 120 pABA 3.88 3.57 138.1 / 120.0 978 C00568 37770 Glutamine 84 Glutamine 6.58 6.62 147.1 / 84.0 5961 C00064 37346 Glutamine 130 Glutamine 6.58 6.62 147.1 / 130.1 5961 C00064 37346 Lysine 84 Lysine 12.12 12.29 147.1 / 84.1 5962 C00047 37121 Methionine 104 Methionine 4.61 4.6 150.1 / 104.0 6137 C00073 37371 Methionine 61 Methionine 4.61 4.6 150.1 / 61.0 6137 C00073 37371 Histidine 110 POS Histidine 6.3 6.38 156.1 / 110.1 6274 C00135 37119 Histidine 83 Histidine 6.3 6.37 156.1 / 83.1 6274 C00135 37119 Pyridoxine 152 Pyridoxine 2.72 2.66 170.1 / 152.1 1054 C00314 37154 Pyridoxine 134 Pyridoxine 2.72 2.66 170.1 / 134.1 1054 C00314 37154 Citrulline 70 Citrulline 7.05 7.07 176.1 / 70.1 9750 C00327 37494 Citrulline 113 Citrulline 7.05 7.07 176.1 / 113.1 9750 C00327 37494 Tyrosine 136 Tyrosine 5.63 5.54 182.1 / 136.1 6057 C00082 37107 Tyrosine 123 Tyrosine 5.63 5.53 182.1 / 91.1 6057 C00082 37107 O-Acetyl-L-carnitine 85 O-Acetyl-L-carnitine 4.19 4.12 204.1 / 85.0 7045767 C02571 49952 O-Acetyl-L-carnitine 145 O-Acetyl-L-carnitine 4.19 4.12 204.1 / 145.0 7045767 C02571 49952 Tryptophan 146 Tryptophan 4.69 4.71 205.1 / 146.1 6305 C00078 37505 Tryptophan 118 Tryptophan 4.69 4.71 205.1 / 118.1 6305 C00078 37505 Pantothenic 202 Pantothenic 2.8 2.71 220.1 / 202.1 6613 C00864 49832 Cerulenin 207 Cerulenin (contaminated signal) 1.55 1.57 224.1 / 207.0 5282054 C12058 43276 Cerulenin 89 Cerulenin (contaminated signal) 1.55 1.56 224.1 / 89.0 5282054 C12058 43276 Biotin 227 Biotin 3.2 2.83 245.1 / 227.1 171548 C00120 37035 Thiamine 122 Thiamine 10.8 10.35 265.1 / 122.1 1130 C00378 37152 Penicillin G 289 POS Penicillin G 2.61 2.58 335.1 / 289.0 5904 C05551 43291 Fasnall 218 Fasnall 1.98 1.76 339.2 / 218.1 16230362 TVB-3166 116 TVB-3166 1.5 1.54 385.2 / 116.0 72947731 TVB-3166 342 TVB-3166 1.5 1.53 385.2 / 342.0 72947731 Acyl-L-carnitine (18:2) 85 Acyl-L-carnitine (18:2) 1.48 1.45 424.3 / 85.0 6450015 4489 GSK2194069 344 GSK2194069 1.58 1.62 429.2 / 344.1 67376285 VY-3-135 412 VY-3-135 1.56 1.53 430.2 / 412.0 VY-3-135 355 VY-3-135 1.56 1.54 430.2 / 355.0 TVB-2640 412 TVB-2640 1.45 1.48 440.2 / 412.0 66548316 TVB-2640 386 TVB-2640 1.45 1.47 440.2 / 386.0 66548316 Folic 295 Folic 7.88 7.83 442.1 / 295.0 135398658 C00504 37083 Doxycycline 321 Doxycycline 2.57 2.64 445.2 / 321.0 54671203 C06973 21328 Methotrexate 308 Methotrexate 4.77 4.76 455.2 / 308.0 126941 C01937 42898 Methotrexate 134 Methotrexate 4.77 4.75 455.2 / 134.0 126941 C01937 42898 Puro Heavy 121 Puro Heavy 1.69 1.47 472.2 / 121.1 439530 C01610 51097 VY-7-137 508 VY-7-137 1.45 1.55 526.2 / 508.0 VY-7-137 233 VY-7-137 1.45 1.64 526.2 / 233.0 NAD+ 524 NAD+ 6.2 6.15 664.1 / 524.0 5892 C00006 71883 NAD+ 428 NAD+ 6.2 6.15 664.1 / 428.0 5892 C00006 71883 NADH 649 NADH 6.12 6.02 666.1 / 649.0 439153 C00004 42581 NADH 348 NADH 6.12 6.01 666.1 / 348.0 439153 C00004 42581 Methylcobalamin 147 Methylcobalamin (Vitamin B12) charge 2 8.9 8.98 672.8 / 147.1 123134034 C06410 49959 Methylcobalamin 636 Methylcobalamin (Vitamin B12) charge 2 8.9 9.19 672.8 / 635.8 123134034 C06410 49959 Cyanocobalamin 147 Cyanocobalamin (Vitamin B12) charge 2 4.2 4.3 678.3 / 147.1 5311498 "C02823 " 49959 Cyanocobalamin 457 Cyanocobalamin (Vitamin B12) charge 2 4.2 4.32 678.3 / 456.8 5311498 "C02823 " 49959 Adenosylcobalamin 147 Adenosylcobalamin (Vitamin B12) charge 2 5 5.05 790.3 / 147.1 70678541 C00194 121148 Adenosylcobalamin 341 Adenosylcobalamin (Vitamin B12) charge 2 5 5.04 790.3 / 341.1 70678541 C00194 121148 Acetyl-CoA 303 Acetyl-CoA 5.75 5.57 810.1 / 303.0 444493 C00024 50043 Acetyl-CoA 428 Acetyl-CoA 5.75 5.57 810.1 / 428.0 444493 C00024 50043 Malonyl-CoA 303 Malonyl-CoA 8.1 7.96 854.1 / 303.0 644066 C00083 50143 Malonyl-CoA 428 Malonyl-CoA 8.1 7.94 854.1 / 428.0 644066 C00083 50143 Myristoyl-CoA 428 Myristoyl-CoA 3 2.82 978.3 / 428.0 11966124 C02593 37846 METABOLITES_END #END