#METABOLOMICS WORKBENCH dmukha_20231211_081057 DATATRACK_ID:4499 STUDY_ID:ST003123 ANALYSIS_ID:AN005118 PROJECT_ID:PR001941 VERSION 1 CREATED_ON March 13, 2024, 2:59 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: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 OMM1.3 uveal melanoma cells fed with [U-13C6] glucose and treated with Fasnall ST:STUDY_TITLE for 4 h ST:STUDY_TYPE Intracellular metabolomics, [U-13C6] glucose tracing ST:STUDY_SUMMARY OMM1.3 uveal melanoma cells fed with [U-13C6] glucose and treated with Fasnall ST:STUDY_SUMMARY for 4 h. Cells were grown in RPMI-1640 with 10% dialyzed FBS. 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 2154956903 ST:NUM_GROUPS 7 ST:TOTAL_SUBJECTS 21 ST:PUBLICATIONS TBD #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENOTYPE_STRAIN 626A>C mutation in GNAQ resulting in Q209P (PMC3288394) SU:AGE_OR_AGE_RANGE NA SU:WEIGHT_OR_WEIGHT_RANGE NA SU:HEIGHT_OR_HEIGHT_RANGE NA SU:CELL_BIOSOURCE_OR_SUPPLIER Dr. Andrew Aplin's lab, Thomas Jefferson University (Philadelphia, PA, USA) SU:CELL_STRAIN_DETAILS OMM1.3, uveal melanoma, derived from a metastatic lesion SU:SUBJECT_COMMENTS The cell line is also known as OMM2.3 SU:CELL_PRIMARY_IMMORTALIZED No SU:CELL_PASSAGE_NUMBER NA #FACTORS #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 - Blank-80MeOH_20211218154318 Sample source:OMM1.3 intracellular metabolites | Type of glucose:NA | Fasnall Concentration:NA RAW_FILE_NAME(Raw File Name)=Blank-80MeOH_20211218154318.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_Blank-80MeOH_20211218154318.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_Blank-80MeOH_20211218154318.mzXML SUBJECT_SAMPLE_FACTORS - Blank-80MeOH_20211219013554 Sample source:OMM1.3 intracellular metabolites | Type of glucose:NA | Fasnall Concentration:NA RAW_FILE_NAME(Raw File Name)=Blank-80MeOH_20211219013554.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_Blank-80MeOH_20211219013554.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_Blank-80MeOH_20211219013554.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_01 Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_01.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_01.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_01.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_02 Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_02.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_02.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_02.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_03 Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_03.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_03.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_03.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_04 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_04.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_04.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_04.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_05 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_05.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_05.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_05.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_06 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_06.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_06.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_06.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_07 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_07.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_07.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_07.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_08 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_08.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_08.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_08.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_09 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_09.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_09.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_09.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_10 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_10.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_10.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_10.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_11 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_11.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_11.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_11.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_12 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_12.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_12.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_12.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_13 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_13.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_13.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_13.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_14 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_14.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_14.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_14.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_15 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_15.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_15.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_15.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_16 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_16.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_16.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_16.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_17 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_17.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_17.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_17.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_18 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_18.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_18.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_18.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_19 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_19.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_19.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_19.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_20 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_20.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_20.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_20.mzXML SUBJECT_SAMPLE_FACTORS - m21-L327_SO_21 Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM RAW_FILE_NAME(Raw File Name)=m21-L327_SO_21.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_21.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_21.mzXML #COLLECTION CO:COLLECTION_SUMMARY One PBS washing, 80% methanol extraction. CO:COLLECTION_PROTOCOL_FILENAME DM_metabolomics_samples.txt CO:SAMPLE_TYPE Cultured cells CO:COLLECTION_METHOD 80% methanol extraction CO:VOLUMEORAMOUNT_COLLECTED 500 ul CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS 1.7 ml plastic centrifuge tubes CO:STORAGE_VIALS 1.7 ml plastic centrifuge tubes #TREATMENT TR:TREATMENT_SUMMARY Cells were grown in RPMI-1640 supplemented with [U-13C6] glucose and treated TR:TREATMENT_SUMMARY with various Fasnall concentrations. TR:TREATMENT_COMPOUND Fasnall TR:TREATMENT_DOSE 50 nM - 5 uM TR:TREATMENT_DOSEDURATION 4 h TR:TREATMENT_VEHICLE DMSO TR:CELL_GROWTH_CONTAINER 6-well plates TR:CELL_MEDIA RPMI-1640 TR:CELL_ENVIR_COND 37C, 5% CO2 TR:CELL_PCT_CONFLUENCE ~70% #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites were extracted with ice-cold 80% methanol. SP:SAMPLEPREP_PROTOCOL_FILENAME DM_metabolomics_samples.txt 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 #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 RS CH:COLUMN_NAME Merck SeQuant ZIC-pHILIC (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 #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME Wistar Institute Proteomics & Metabolomic Core AN:OPERATOR_NAME Nicole Gorman AN:DETECTOR_TYPE Orbitrap #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The HESI ion source voltage was set to the following parameters: 3,600 V in both MS:MS_COMMENTS polarity modes, sheath gas 30, auxiliary gas 5, spare gas 0, probe heater 200 MS:MS_COMMENTS °C, capillary temperature 325 °C, S-Lens RF level 65. The mass spectrometer MS:MS_COMMENTS was set to acquire data in the polarity-switching mode averaging two microscans MS:MS_COMMENTS with 60,000 resolution, automatic gain control (AGC) target 5e6, scan range MS:MS_COMMENTS 72-1080 m/z, and maximum orbitrap injection time (IT) 200 ms. Data were MS:MS_COMMENTS converted into the mzXML format by ProteoWizard and analyzed in MAVEN. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples m21-L327_SO_01 m21-L327_SO_02 m21-L327_SO_03 m21-L327_SO_04 m21-L327_SO_05 m21-L327_SO_06 m21-L327_SO_07 m21-L327_SO_08 m21-L327_SO_09 m21-L327_SO_10 m21-L327_SO_11 m21-L327_SO_12 m21-L327_SO_13 m21-L327_SO_14 m21-L327_SO_15 m21-L327_SO_16 m21-L327_SO_17 m21-L327_SO_18 m21-L327_SO_19 m21-L327_SO_20 m21-L327_SO_21 Factors Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM Fasnall C12 PARENT 0 0 0 0 0 0 4856948 4877068 4691992 9973753 1.07E+07 9742956 3.81E+07 3.55E+07 3.34E+07 8.50E+07 9.13E+07 1.01E+08 3.67E+08 4.32E+08 4.18E+08 Fasnall C13-label-1 0 0 0 0 0 0 952511 1018556 959091.8 2114722 2180838 1909799 7162830 7087842 6678186 1.74E+07 1.92E+07 2.10E+07 8.00E+07 9.53E+07 9.23E+07 Fasnall C13-label-2 0 0 0 0 0 0 34863.21 0 0 47218.23 59869.73 58487.69 440178.7 370937.3 457900.1 979691.3 1003697 1085287 3721727 4513590 4040544 Fasnall C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 16231.28 35374.99 50681.33 0 Fasnall C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Fasnall C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C12 PARENT 1180171 1177443 1124825 339559.7 333102.6 380234.6 364441.2 433537.7 410530.2 357420.5 406742.1 351754.8 448876.6 469587.1 431468.4 678063.9 731234.7 642902.4 765292 895158.8 821021.4 Acetyl-CoA C13-label-1 339187 332689.7 331978.5 114603.7 117598.4 137314.1 115920.2 133299.7 143150.2 128772.3 124833 115094.4 147874.2 146533.1 152124.9 201399.4 219884.9 205257.2 241506.2 279334.9 267090.7 Acetyl-CoA C13-label-2 28468.93 40323.04 30373.48 667380.2 621999.4 771061.8 698973.3 781660.1 742142 652751.9 704715.1 644790.3 443526.9 535066.1 548606.3 564188.2 565432.6 581733.8 620153.6 699975.8 708639.8 Acetyl-CoA C13-label-3 6087.874 0 7990.848 174123.5 174149.2 220217.1 185849.5 199934.7 195493.7 180098 174216.9 170715.1 137173.5 153845.4 149076.9 150601.3 149597.7 156644.4 167138.9 172254.3 181692 Acetyl-CoA C13-label-4 0 0 0 20525.04 42972.86 39621.51 23343.26 45971.57 38701 45306.5 29759.17 48771.11 16923.01 17550.66 19785.13 20915.61 20318.22 27230.56 15892.83 23931.33 28089.34 Acetyl-CoA C13-label-5 0 0 0 60354.39 53780.72 73108.65 60915.93 74130.91 72530.41 68282.58 69847.71 62640.95 62784.23 60916.82 68943.98 84943.5 91640.37 86810.03 65130.34 68400.95 80607.24 Acetyl-CoA C13-label-6 0 0 0 21258.87 17330.03 19798.83 21640.71 19787.1 24300.78 12977.15 19495.62 16490.32 12316.58 7137.261 16450.97 19827.44 24933.65 21429.54 15371.87 12995.39 15166.94 Acetyl-CoA C13-label-7 0 0 0 75779.41 72399.38 97679.98 91770.49 94702.53 102088.6 85063.77 84248.05 82637.96 50114.75 56735.06 60711.52 52578.12 53947.93 59280.7 42749.29 47593.17 49039.29 Acetyl-CoA C13-label-8 0 0 0 7071.181 18294.36 22135.74 15482.13 17145.67 13160.36 17959.05 17909.17 21670.09 4179.689 4971.174 15271.83 15657.36 3396.449 4273.301 12254.79 9488.79 5204.116 Acetyl-CoA C13-label-9 0 0 0 0 0 0 6187.844 0 0 0 0 3440.04 0 0 0 0 0 0 4682.561 0 0 Acetyl-CoA C13-label-10 0 0 0 0 0 0 5591.5 0 2607.838 0 0 3339.458 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-CoA C13-label-23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C12 PARENT 7763062 7309942 6534360 4762028 4560845 4034239 4067904 4951198 4129403 4150334 4882190 4729404 5782560 5692988 5480398 9752327 9326861 9123867 1.13E+07 1.25E+07 1.26E+07 NADH C13-label-1 1886559 1935488 1644968 1271387 1202080 1038914 1064876 1278750 1131729 1002474 1223401 1268205 1455294 1493072 1462856 2512428 2409868 2223552 3035586 3211883 3133824 NADH C13-label-2 444929 423887.8 402310.5 391493.5 370664.1 221579.2 303961.1 306602.1 326143 311364.8 388728.1 321160.8 417799.4 244459.1 406423 574985.2 699643.2 609873.2 812122.1 747677.1 858546.4 NADH C13-label-3 33777.48 43656.43 20553.47 11654.25 13542.36 0 0 0 0 0 0 0 0 0 0 0 0 30597.79 37346.02 50275.12 0 NADH C13-label-4 0 0 0 320228.2 166413.8 185845.5 107103.8 164757.7 88570.74 83575.01 119625.9 276028.8 215705.4 296578 162612.2 365898.1 375046.3 364855.6 236921.6 420394.9 248477 NADH C13-label-5 0 0 0 3443384 3410693 2851954 2784344 3427843 2955099 2733836 3151027 3225893 3245833 3284456 3298347 4652254 4817002 4784304 4572548 5165668 4667137 NADH C13-label-6 0 0 0 728993.2 646650.8 510042.3 544312.9 699919.2 618162.1 564149.7 639205.2 562735.2 679124.2 687652.6 620888.2 1017932 969590.3 971503.3 981476.3 1029195 944319.4 NADH C13-label-7 0 0 0 140761.6 177552.2 123659.5 92146.84 87183 44649.5 63325.32 69204.16 119973.3 105199.5 167911.4 173531.4 176665.1 95050.95 171633.1 235948.5 171562.2 271484.3 NADH C13-label-8 0 0 0 23875.39 0 0 13568.76 17212.76 0 0 0 0 0 0 0 33408.83 13425.96 0 20732.37 38924.58 36744.72 NADH C13-label-9 0 0 0 94402.99 80226.32 48988.88 42195.07 104319.1 56862.01 26016.26 64834.54 70689.4 41009.37 22643.45 69667.68 185145 81366.77 131386.4 121103.8 128956 126965 NADH C13-label-10 0 0 0 817968.5 705696.2 671419.3 614335.2 686886.7 674065.7 584300.3 688334.2 757843.4 654491.6 612892.9 712520.7 1129978 987401.1 962716.9 820252.7 909259.9 907612.5 NADH C13-label-11 0 0 0 131966.1 120261.5 21935.4 83848.45 59495.08 95410.27 54971.91 89291.5 80683.4 37655.86 25886.01 108535.1 134740.2 133835.3 152925.2 101681 169094.7 90746.87 NADH C13-label-12 0 0 0 0 22773.42 0 18188.18 0 0 0 0 0 19263.03 0 0 22950.54 18590.69 31542.56 36291.03 0 10565.99 NADH C13-label-13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C13-label-14 0 0 0 0 9798.653 0 0 0 0 0 0 24840.14 0 0 0 0 0 0 37190.94 0 0 NADH C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C13-label-20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NADH C13-label-21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C12 PARENT 5.25E+07 5.36E+07 5.08E+07 2.66E+07 2.59E+07 2.65E+07 2.83E+07 2.75E+07 2.79E+07 2.73E+07 2.63E+07 2.48E+07 2.63E+07 2.68E+07 2.43E+07 2.58E+07 2.85E+07 2.84E+07 2.35E+07 2.91E+07 2.73E+07 NAD+ C13-label-1 1.34E+07 1.40E+07 1.30E+07 6833106 6841530 7070808 7278350 7224084 7094982 7025642 6834634 6400420 6702682 6773796 6310140 6638302 7472252 7293120 6235998 7801368 7159488 NAD+ C13-label-2 3188359 3052394 3067976 1947672 1874082 2045676 2118116 2114433 2115128 1904744 2000114 1840705 1826476 1959098 1818236 1822958 2047303 2170593 1657417 2273001 1905756 NAD+ C13-label-3 484215.6 321519.9 501002.4 572279.2 593988.8 589898.7 671842.4 615290.4 602451.6 647541.9 612355.7 530976.7 563157.4 671447.4 599329.4 511416.5 597482.2 673473.2 542818 668701.2 651380.2 NAD+ C13-label-4 48689.4 61387.75 58419.21 1297439 1249745 1336253 1330575 1362183 1325792 1253905 1238626 1155365 1087416 1032102 1024618 866022.8 975174.2 1028574 707188.8 919755.3 778499.7 NAD+ C13-label-5 0 0 0 1.95E+07 1.85E+07 1.96E+07 2.01E+07 1.95E+07 1.94E+07 1.83E+07 1.76E+07 1.69E+07 1.59E+07 1.59E+07 1.47E+07 1.30E+07 1.45E+07 1.44E+07 9720209 1.22E+07 1.07E+07 NAD+ C13-label-6 0 0 0 4068631 3741899 3941787 4060907 3861311 3947017 3714315 3525987 3395074 3244067 3279799 2956876 2523587 2782510 3045081 2020562 2573129 2222224 NAD+ C13-label-7 0 0 0 1048934 1017822 1102514 1075258 1065413 1043623 1043747 979714.3 1004959 885425.5 923626.4 810975.1 709416.1 870671.2 874990.3 624602.6 711905.2 428774.5 NAD+ C13-label-8 0 0 0 258074 296738.2 284200.3 333948.2 341350.9 280990 284753 267955.8 264011.6 231020 215266.9 144603.9 127289.2 90346.52 217966.8 120342.8 249025.2 223429.2 NAD+ C13-label-9 0 0 0 624823.4 539280.6 594290.7 638849.2 558009.3 614361.1 574922.6 507977.5 496587.6 437449.5 388787.8 392370.1 408344.8 392258.7 396363.5 293833.9 319591 272527.2 NAD+ C13-label-10 0 0 0 4643378 4238138 4617132 4666180 4483240 4722102 4343102 3956895 4152182 3177060 3184163 3216504 2806117 2895205 3080650 2069912 2460314 2358000 NAD+ C13-label-11 0 0 0 669723.1 630527.6 700188.7 749495.3 705554.3 682243.6 639127.1 667192.3 614629.4 512198.3 492586.1 509788.6 462874.6 458497.7 490142.6 290839.7 330843.9 387595.5 NAD+ C13-label-12 0 0 0 136466.6 186298 112901.8 126422.6 115611.4 131871.9 70416.2 99892.04 117230.6 75193.22 112369.7 85433.8 70182.48 72290.94 125786.8 26486.78 89880.6 61573.52 NAD+ C13-label-13 0 0 0 0 9264.228 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C13-label-14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15300.85 0 0 0 NAD+ C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C13-label-20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 NAD+ C13-label-21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C12 PARENT 196397.7 223652.9 229965.3 142564.5 131994.5 184893.8 152029.8 155874.6 149656.3 104374.4 89916.12 89302.91 37577.42 43876.18 37333.22 17507.34 7201.238 15495.81 0 0 0 Succinyl-CoA C13-label-1 44948.19 71407.5 72922.8 44509.07 37932.12 62017.14 18402.74 63457.67 39380.47 23268.39 37132.89 20514.26 0 9013.272 7474.707 0 0 0 0 0 0 Succinyl-CoA C13-label-2 0 5463.208 19112.75 7203.215 8944.542 19903.18 13475.47 11391.53 7663.659 8053.992 7628.154 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-3 0 0 0 0 9183.271 0 0 0 0 7043.65 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-4 0 0 0 0 0 6270.828 12104.76 0 0 0 0 0 0 8258.216 0 0 0 0 9129.2 0 0 Succinyl-CoA C13-label-5 0 0 0 11978 9393.183 37555.98 19220.95 18807.86 14839.16 18895.18 0 16461.44 0 0 0 5617.003 0 6987.883 11025.59 6953.374 0 Succinyl-CoA C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 7902.355 0 Succinyl-CoA C13-label-7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Succinyl-CoA C13-label-25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C12 PARENT 999027.2 1034780 1115931 916482.2 1003144 853275.3 1022250 884886.2 902857.4 822082.9 900969.5 800686.7 1673232 1614015 1573991 2219110 2221034 2383218 2220170 2656928 2426014 Palmitoyl-L-carnitine C13-label-1 0 0 362174.4 0 0 0 291172.4 0 0 0 0 0 457861.2 564858.3 434110 768796.8 801391.5 845232.7 845972.5 898159.9 930215 Palmitoyl-L-carnitine C13-label-2 0 0 0 0 43516.06 0 44684.5 0 43912.64 0 0 27468.49 145331 62124.22 39734.5 208374.8 116940.6 69865.6 48322 172849 85881.39 Palmitoyl-L-carnitine C13-label-3 0 0 0 15255.57 0 0 0 0 0 0 0 0 0 21736.03 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 26809.54 0 0 0 44657.84 19331.01 0 0 0 Palmitoyl-L-carnitine C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-6 0 0 0 0 0 0 0 0 0 24112.96 0 0 0 0 16832.82 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-7 0 0 0 0 0 0 0 0 0 0 0 0 21922.12 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-8 0 0 0 29763.54 0 0 79092.25 36529.46 0 31965.05 30521.88 24506.2 33509.39 31823.78 32138.94 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoyl-L-carnitine C13-label-23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Acetyl-L-carnitine C12 PARENT 2.06E+07 2.29E+07 2.14E+07 6975164 7077270 6917442 7240376 7315650 6951580 8452256 8277470 7099922 2.09E+07 1.86E+07 1.93E+07 5.94E+07 6.97E+07 6.22E+07 1.02E+08 1.11E+08 1.14E+08 O-Acetyl-L-carnitine C13-label-1 2054661 2187257 2035597 1214172 1172648 1185855 1207761 1214690 1147284 1466139 1365864 1197470 2668033 2415823 2532905 6112626 7085624 6638132 1.07E+07 1.14E+07 1.18E+07 O-Acetyl-L-carnitine C13-label-2 0 0 0 1.54E+07 1.58E+07 1.65E+07 1.66E+07 1.62E+07 1.60E+07 1.87E+07 1.79E+07 1.54E+07 2.01E+07 1.92E+07 2.12E+07 9507584 1.16E+07 1.38E+07 6098470 7089712 7763642 O-Acetyl-L-carnitine C13-label-3 0 0 0 1151201 1077781 1208486 1172682 1202207 1173724 1375478 1306345 1126764 1468323 1378948 1501861 673994.8 788647.2 982024.3 414572.7 440427.2 516352.9 O-Acetyl-L-carnitine C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Acetyl-L-carnitine C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Acetyl-L-carnitine C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Acetyl-L-carnitine C13-label-7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Acetyl-L-carnitine C13-label-8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 O-Acetyl-L-carnitine C13-label-9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-Carnitine C12 PARENT 1.10E+08 1.14E+08 9.45E+07 1.08E+08 1.07E+08 1.04E+08 1.06E+08 1.07E+08 1.01E+08 1.02E+08 1.05E+08 9.06E+07 9.34E+07 9.02E+07 9.03E+07 6.96E+07 7.77E+07 7.70E+07 3.08E+07 3.86E+07 3.01E+07 L-Carnitine C13-label-1 8672573 9087257 7199542 8526099 8480676 8240168 8362802 8519484 7943922 8117766 8132858 7068672 7266754 7068220 7082140 5367824 6099102 6076006 2334877 2892002 2230465 L-Carnitine C13-label-2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-Carnitine C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-Carnitine C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-Carnitine C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-Carnitine C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 L-Carnitine C13-label-7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C12 PARENT 406537.1 421355.4 405359.5 482126.7 507154.5 433676.4 411437.5 469838.2 373568 387940.7 390206.2 358042.7 652074.8 641972.5 620999.3 804819.8 809057.2 780359.6 1020973 1069725 1066290 Palmitoleyl-L-carnitine C13-label-1 53824.78 80889.09 65875.38 134854.3 214955.9 53721.36 111780.5 104978.8 60107.11 50935.38 82294.87 55587.29 246671.6 77544.52 162744.6 248888.9 219567.3 128091.4 184323.4 110904.4 334200.2 Palmitoleyl-L-carnitine C13-label-2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Palmitoleyl-L-carnitine C13-label-23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C12 PARENT 199345.2 226792.1 247046 157632.6 118679.1 217490 190559.4 179691.5 172726.6 203646.1 210424.1 157571.7 345950.6 291327.1 280892.2 375544.2 397851.8 438864.4 456656.8 541902.8 469209.7 Stearoyl-L-carnitine C13-label-1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-2 0 0 0 0 0 0 0 0 0 0 0 29158.22 0 59655.2 0 0 53894.52 0 0 0 52315.8 Stearoyl-L-carnitine C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-7 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-9 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-12 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-14 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-15 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-16 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-17 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-18 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-19 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-20 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-21 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-22 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-23 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-24 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Stearoyl-L-carnitine C13-label-25 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention time quantified m/z parent pubchem id kegg id regno comments Fasnall C12 PARENT 1.685451 339.1635 339.1635 16230362 NA NA Fasnall C13-label-1 1.68923 340.167 339.1635 16230362 NA NA Fasnall C13-label-2 1.689029 341.1715 339.1635 16230362 NA NA Fasnall C13-label-3 1.649655 342.1747 339.1635 16230362 NA NA Fasnall C13-label-4 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-5 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-6 1.582712 345.1844 339.1635 16230362 NA NA Fasnall C13-label-7 1.817942 346.1876 339.1635 16230362 NA NA Fasnall C13-label-8 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-9 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-10 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-11 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-12 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-13 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-14 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-15 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-16 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-17 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-18 N/A N/A 339.1635 16230362 NA NA Peak was not detected Fasnall C13-label-19 N/A N/A 339.1635 16230362 NA NA Peak was not detected Acetyl-CoA C12 PARENT 8.206355 810.1328 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-1 8.204598 811.1359 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-2 8.211112 812.1388 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-3 8.211915 813.1418 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-4 8.200368 814.1437 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-5 8.199324 815.1486 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-6 8.208096 816.1519 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-7 8.203836 817.1558 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-8 8.199619 818.1586 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-9 8.182239 819.1614 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-10 8.280662 820.1639 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-11 N/A N/A 810.1327 444493 C00024 " 50043" Peak was not detected Acetyl-CoA C13-label-12 8.2977 822.1714 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-13 N/A N/A 810.1327 444493 C00024 " 50043" Peak was not detected Acetyl-CoA C13-label-14 8.320033 824.1808 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-15 N/A N/A 810.1327 444493 C00024 " 50043" Peak was not detected Acetyl-CoA C13-label-16 8.126616 826.1887 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-17 8.294017 827.1917 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-18 8.125433 828.1935 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-19 8.248642 829.1964 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-20 8.2568 830.1976 810.1327 444493 C00024 " 50043" Acetyl-CoA C13-label-21 N/A N/A 810.1327 444493 C00024 " 50043" Peak was not detected Acetyl-CoA C13-label-22 N/A N/A 810.1327 444493 C00024 " 50043" Peak was not detected Acetyl-CoA C13-label-23 N/A N/A 810.1327 444493 C00024 " 50043" Peak was not detected NADH C12 PARENT 8.728712 666.1317 666.1317 439153 C00004 42581 NADH C13-label-1 8.729613 667.1346 666.1317 439153 C00004 42581 NADH C13-label-2 8.724326 668.1368 666.1317 439153 C00004 42581 NADH C13-label-3 8.664206 669.14 666.1317 439153 C00004 42581 NADH C13-label-4 8.750889 670.1441 666.1317 439153 C00004 42581 NADH C13-label-5 8.727238 671.1484 666.1317 439153 C00004 42581 NADH C13-label-6 8.729351 672.1509 666.1317 439153 C00004 42581 NADH C13-label-7 8.728354 673.1534 666.1317 439153 C00004 42581 NADH C13-label-8 8.668929 674.1571 666.1317 439153 C00004 42581 NADH C13-label-9 8.728357 675.1613 666.1317 439153 C00004 42581 NADH C13-label-10 8.729313 676.165 666.1317 439153 C00004 42581 NADH C13-label-11 8.740658 677.1674 666.1317 439153 C00004 42581 NADH C13-label-12 8.699984 678.1721 666.1317 439153 C00004 42581 NADH C13-label-13 N/A N/A 666.1317 439153 C00004 42581 Peak was not detected NADH C13-label-14 8.670733 680.1774 666.1317 439153 C00004 42581 NADH C13-label-15 8.8716 681.1827 666.1317 439153 C00004 42581 NADH C13-label-16 N/A N/A 666.1317 439153 C00004 42581 Peak was not detected NADH C13-label-17 8.836634 683.1875 666.1317 439153 C00004 42581 NADH C13-label-18 N/A N/A 666.1317 439153 C00004 42581 Peak was not detected NADH C13-label-19 8.677183 685.1989 666.1317 439153 C00004 42581 NADH C13-label-20 8.727099 686.2007 666.1317 439153 C00004 42581 NADH C13-label-21 N/A N/A 666.1317 439153 C00004 42581 Peak was not detected NAD+ C12 PARENT 8.994596 664.1159 664.1159 5892 C00006 71883 NAD+ C13-label-1 8.99547 665.1188 664.1159 5892 C00006 71883 NAD+ C13-label-2 8.998093 666.1216 664.1159 5892 C00006 71883 NAD+ C13-label-3 9.001696 667.125 664.1159 5892 C00006 71883 NAD+ C13-label-4 8.989268 668.1291 664.1159 5892 C00006 71883 NAD+ C13-label-5 8.998775 669.133 664.1159 5892 C00006 71883 NAD+ C13-label-6 8.995683 670.1359 664.1159 5892 C00006 71883 NAD+ C13-label-7 8.990597 671.1379 664.1159 5892 C00006 71883 NAD+ C13-label-8 8.994728 672.1418 664.1159 5892 C00006 71883 NAD+ C13-label-9 8.99265 673.1461 664.1159 5892 C00006 71883 NAD+ C13-label-10 8.998789 674.1496 664.1159 5892 C00006 71883 NAD+ C13-label-11 8.996726 675.1521 664.1159 5892 C00006 71883 NAD+ C13-label-12 8.977089 676.1555 664.1159 5892 C00006 71883 NAD+ C13-label-13 8.885417 677.1628 664.1159 5892 C00006 71883 NAD+ C13-label-14 N/A N/A 664.1159 5892 C00006 71883 Peak was not detected NAD+ C13-label-15 N/A N/A 664.1159 5892 C00006 71883 Peak was not detected NAD+ C13-label-16 N/A N/A 664.1159 5892 C00006 71883 Peak was not detected NAD+ C13-label-17 N/A N/A 664.1159 5892 C00006 71883 Peak was not detected NAD+ C13-label-18 8.948334 682.1776 664.1159 5892 C00006 71883 NAD+ C13-label-19 N/A N/A 664.1159 5892 C00006 71883 Peak was not detected NAD+ C13-label-20 N/A N/A 664.1159 5892 C00006 71883 Peak was not detected NAD+ C13-label-21 N/A N/A 664.1159 5892 C00006 71883 Peak was not detected Succinyl-CoA C12 PARENT 9.811222 868.1382 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-1 9.804506 869.1407 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-2 9.826991 870.1428 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-3 9.76165 871.1458 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-4 9.693617 872.1509 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-5 9.801045 873.1549 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-6 9.782267 874.1603 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-7 9.834595 875.1606 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-8 9.748834 876.1629 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-9 9.718517 877.171 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-10 9.794499 878.1732 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-11 9.896842 879.1761 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-12 9.972834 880.176 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-13 9.761983 881.1851 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-14 N/A N/A 868.1382 92133 C00091 50056 Peak was not detected Succinyl-CoA C13-label-15 N/A N/A 868.1382 92133 C00091 50056 Peak was not detected Succinyl-CoA C13-label-16 9.718517 884.1939 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-17 9.790978 885.1974 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-18 9.748834 886.201 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-19 9.7352 887.2056 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-20 9.88875 888.2039 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-21 9.834717 889.21 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-22 N/A N/A 868.1382 92133 C00091 50056 Peak was not detected Succinyl-CoA C13-label-23 N/A N/A 868.1382 92133 C00091 50056 Peak was not detected Succinyl-CoA C13-label-24 9.7657 892.2205 868.1382 92133 C00091 50056 Succinyl-CoA C13-label-25 N/A N/A 868.1382 92133 C00091 50056 Peak was not detected Palmitoyl-L-carnitine C12 PARENT 1.706881 400.342 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-1 1.726359 401.344 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-2 1.677149 402.3472 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-3 1.770983 403.3522 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-4 1.781033 404.3549 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-5 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-6 1.757708 406.3629 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-7 1.665132 407.3662 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-8 1.65852 408.3685 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-9 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-10 1.707667 410.3753 400.342 11953816 C02990 NA Palmitoyl-L-carnitine C13-label-11 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-12 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-13 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-14 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-15 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-16 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-17 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-18 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-19 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-20 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-21 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-22 N/A N/A 400.342 11953816 C02990 NA Peak was not detected Palmitoyl-L-carnitine C13-label-23 N/A N/A 400.342 11953816 C02990 NA Peak was not detected O-Acetyl-L-carnitine C12 PARENT 6.292783 204.1231 204.1231 7045767 C02571 NA O-Acetyl-L-carnitine C13-label-1 6.298319 205.1264 204.1231 7045767 C02571 NA O-Acetyl-L-carnitine C13-label-2 6.299076 206.1297 204.1231 7045767 C02571 NA O-Acetyl-L-carnitine C13-label-3 6.29581 207.133 204.1231 7045767 C02571 NA O-Acetyl-L-carnitine C13-label-4 N/A N/A 204.1231 7045767 C02571 NA Peak was not detected O-Acetyl-L-carnitine C13-label-5 N/A N/A 204.1231 7045767 C02571 NA Peak was not detected O-Acetyl-L-carnitine C13-label-6 N/A N/A 204.1231 7045767 C02571 NA Peak was not detected O-Acetyl-L-carnitine C13-label-7 N/A N/A 204.1231 7045767 C02571 NA Peak was not detected O-Acetyl-L-carnitine C13-label-8 6.205956 212.149 204.1231 7045767 C02571 NA O-Acetyl-L-carnitine C13-label-9 N/A N/A 204.1231 7045767 C02571 NA Peak was not detected L-Carnitine C12 PARENT 7.887705 162.1125 162.1125 10917 C00318 " 42914" L-Carnitine C13-label-1 7.884924 163.1159 162.1125 10917 C00318 " 42914" L-Carnitine C13-label-2 N/A N/A 162.1125 10917 C00318 " 42914" Peak was not detected L-Carnitine C13-label-3 N/A N/A 162.1125 10917 C00318 " 42914" Peak was not detected L-Carnitine C13-label-4 N/A N/A 162.1125 10917 C00318 " 42914" Peak was not detected L-Carnitine C13-label-5 N/A N/A 162.1125 10917 C00318 " 42914" Peak was not detected L-Carnitine C13-label-6 N/A N/A 162.1125 10917 C00318 " 42914" Peak was not detected L-Carnitine C13-label-7 N/A N/A 162.1125 10917 C00318 " 42914" Peak was not detected Palmitoleyl-L-carnitine C12 PARENT 1.728009 398.3257 398.3257 156908005 NA NA Palmitoleyl-L-carnitine C13-label-1 1.715703 399.3283 398.3257 156908005 NA NA Palmitoleyl-L-carnitine C13-label-2 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-3 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-4 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-5 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-6 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-7 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-8 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-9 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-10 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-11 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-12 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-13 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-14 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-15 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-16 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-17 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-18 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-19 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-20 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-21 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-22 N/A N/A 398.3257 156908005 NA NA Peak was not detected Palmitoleyl-L-carnitine C13-label-23 N/A N/A 398.3257 156908005 NA NA Peak was not detected Stearoyl-L-carnitine C12 PARENT 1.660588 428.3728 428.3728 3006797 NA NA Stearoyl-L-carnitine C13-label-1 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-2 1.617075 430.3786 428.3728 3006797 NA NA Stearoyl-L-carnitine C13-label-3 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-4 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-5 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-6 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-7 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-8 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-9 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-10 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-11 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-12 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-13 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-14 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-15 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-16 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-17 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-18 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-19 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-20 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-21 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-22 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-23 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-24 N/A N/A 428.3728 3006797 NA NA Peak was not detected Stearoyl-L-carnitine C13-label-25 N/A N/A 428.3728 3006797 NA NA Peak was not detected METABOLITES_END #END