#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