#METABOLOMICS WORKBENCH dmukha_20240309_151143 DATATRACK_ID:4694 STUDY_ID:ST003147 ANALYSIS_ID:AN005164 PROJECT_ID:PR001941
VERSION             	1
CREATED_ON             	March 25, 2024, 3:24 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                   	BT-474 cells fed with [13C2] acetate and treated with 1 uM Fasnall or 1 uM
ST:STUDY_TITLE                   	GSK2194069 for 24 h
ST:STUDY_TYPE                    	Intracellular metabolomics, [13C2] acetate
ST:STUDY_SUMMARY                 	BT-474 breast cancer cells fed with [13C2] acetate and treated with 1 uM Fasnall
ST:STUDY_SUMMARY                 	or 1 uM GSK2194069 for 24 h. Cells were grown in RPMI-1640 with 10% dialyzed
ST:STUDY_SUMMARY                 	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                    	3
ST:TOTAL_SUBJECTS                	9
ST:PUBLICATIONS                  	Submission Pending
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	60
SU:GENDER                        	Female
SU:CELL_BIOSOURCE_OR_SUPPLIER    	ATCC
SU:CELL_STRAIN_DETAILS           	BT-474, breast cancer cell line
#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	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=Blank-80MeOH.raw; RAW_FILE_NAME(Raw File Name)=NEG_Blank-80MeOH.mzXML; RAW_FILE_NAME(Raw File Name )=POS_Blank-80MeOH.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Blank-80MeOH_20220211171023	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=Blank-80MeOH_20220211171023.raw; RAW_FILE_NAME(Raw File Name)=NEG_Blank-80MeOH_20220211171023.mzXML; RAW_FILE_NAME(Raw File Name )=POS_Blank-80MeOH_20220211171023.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Blank-80MeOH_20220211180427	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=Blank-80MeOH_20220211180427.raw; RAW_FILE_NAME(Raw File Name)=NEG_Blank-80MeOH_20220211180427.mzXML; RAW_FILE_NAME(Raw File Name )=POS_Blank-80MeOH_20220211180427.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Blank_NoFlow	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=Blank_NoFlow.raw; RAW_FILE_NAME(Raw File Name)=NEG_Blank_NoFlow.mzXML; RAW_FILE_NAME(Raw File Name )=POS_Blank_NoFlow.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_01	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_01.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_01.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_01.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_02	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_02.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_02.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_02.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_03	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_03.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_03.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_03.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_04	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_04.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_04.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_04.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_05	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_05.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_05.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_05.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_06	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_06.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_06.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_06.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_07	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_07.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_07.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_07.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_08	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_08.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_08.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_08.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m22-L025_SO_09	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=m22-L025_SO_09.raw; RAW_FILE_NAME(Raw File Name)=NEG_m22-L025_SO_09.mzXML; RAW_FILE_NAME(Raw File Name )=POS_m22-L025_SO_09.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              	1.5 ml plastic centrifuge tubes
CO:STORAGE_VIALS                 	1.5 ml plastic centrifuge tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells were grown in RPMI-1640 supplemented with 200 uM [13C2] acetate and
TR:TREATMENT_SUMMARY             	treated with 1 uM Fasnall or 1 uM GSK2194069.
TR:TREATMENT_COMPOUND            	Fasnall, GSK2194069
TR:TREATMENT_DOSE                	0 - 1 uM
TR:TREATMENT_DOSEDURATION        	24 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                     	Water with 0.01% ammonium hydroxide and 20 mM ammonium bicarbonate
CH:SOLVENT_B                     	Acetonitrile
CH:FLOW_GRADIENT                 	A linear solvent gradient of a total duration 22.5 min was starting with 0.2
CH:FLOW_GRADIENT                 	ml/min flow rate of 80% solvent B, 12.5 min – 30%, 15 min – 30%, 15.2 min
CH:FLOW_GRADIENT                 	– 80%, 20 min – 80%, 21 min – flow rate 0.3 ml/min, 22 min – flow rate
CH:FLOW_GRADIENT                 	0.3 ml/min, 22.1 min – flow rate 0.2 ml/min.
CH:FLOW_RATE                     	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:ION_SOURCE_TEMPERATURE        	200
MS:ION_SPRAY_VOLTAGE             	3600
MS:IONIZATION                    	Both
MS:SOURCE_TEMPERATURE            	200
MS:AUTOMATIC_GAIN_CONTROL        	5e6
MS:DATAFORMAT                    	RAW
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	AU
MS_METABOLITE_DATA_START
Samples	Blank-80MeOH	Blank-80MeOH_20220211171023	Blank-80MeOH_20220211180427	Blank_NoFlow	m22-L025_SO_01	m22-L025_SO_02	m22-L025_SO_03	m22-L025_SO_04	m22-L025_SO_05	m22-L025_SO_06	m22-L025_SO_07	m22-L025_SO_08	
Factors	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM GSK2194069	Sample source:BT-474 intracellular metabolites | [13C2] Acetate:200 uM | Drug Treatment:1 uM GSK2194069
Acetyl-CoA C12 PARENT	0	0	0	0	134127	1268990	135570.8	272558.7	323059.8	139672.3	172046.9	340255	218387.9
Acetyl-CoA C13-label-1	0	0	0	0	42457.47	367322.8	37888.25	83524.28	96805.95	41254.06	47922.97	103833.5	67788.37
Acetyl-CoA C13-label-2	0	0	0	0	29188.25	231502.5	32888.8	130511.9	174208.8	97970.73	86088.85	165800.1	78632.66
Acetyl-CoA C13-label-3	0	0	0	0	0	19519.54	3690.467	14825.46	45913.85	13946.75	8803.998	39697.46	15517.14
Acetyl-CoA C13-label-4	0	0	0	0	0	0	0	4756.285	0	0	0	6539.866	0
Acetyl-CoA C13-label-5	0	0	0	0	0	0	0	0	3579.619	0	0	0	2280.721
Acetyl-CoA C13-label-6	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-7	0	0	0	0	0	0	0	0	3571.288	0	0	0	0
Acetyl-CoA C13-label-8	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-10	0	0	0	0	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
Acetyl-CoA C13-label-12	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
Acetyl-CoA C13-label-14	0	0	1874.099	0	2827.781	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
Acetyl-CoA C13-label-16	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
Acetyl-CoA C13-label-18	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
Acetyl-CoA C13-label-20	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
Acetyl-CoA C13-label-22	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
Fasnall C12 PARENT	0	0	0	0	0	0	0	5.71E+07	5.77E+07	5.31E+07	0	53236.12	0
Fasnall C13-label-1	0	0	0	0	0	0	0	1.21E+07	1.23E+07	1.12E+07	0	0	0
Fasnall C13-label-2	0	0	0	0	0	0	0	648464.4	0	549699.2	0	0	0
Fasnall C13-label-3	0	0	0	0	0	0	0	11030.35	0	0	0	0	0
Fasnall C13-label-4	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
Fasnall C13-label-6	0	0	0	0	0	0	0	0	0	0	0	79835.35	0
Fasnall C13-label-7	0	0	0	0	0	0	0	0	0	0	0	0	8746.782
Fasnall C13-label-8	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
Fasnall C13-label-10	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
Fasnall C13-label-12	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
Fasnall C13-label-14	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
Fasnall C13-label-16	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
Fasnall C13-label-18	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
GSK2194069 C12 PARENT	0	0	0	0	0	0	0	14028.24	0	9365.128	2.41E+07	3.12E+07	2.57E+07
GSK2194069 C13-label-1	0	0	0	0	0	0	0	0	0	0	6685548	8740249	7159852
GSK2194069 C13-label-2	0	0	0	0	0	0	0	0	0	0	968977.8	1245574	1070284
GSK2194069 C13-label-3	0	0	0	0	0	0	0	0	0	0	0	103884.2	104436.8
GSK2194069 C13-label-4	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-5	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-6	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-7	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-8	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-10	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-11	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-12	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-13	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-14	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-15	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-16	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-17	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-18	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-19	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-20	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-21	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-22	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-23	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-24	0	0	0	0	0	0	0	0	0	0	0	0	0
GSK2194069 C13-label-25	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetyl-L-carnitine C12 PARENT	0	43632.04	47079.86	50215.22	2.52E+07	3.52E+07	2.66E+07	3.47E+07	3.53E+07	3.31E+07	3.93E+07	4.93E+07	5.34E+07
O-Acetyl-L-carnitine C13-label-1	0	0	0	0	2483257	3503697	2559625	3383232	3471455	3382514	4219606	5603478	5944914
O-Acetyl-L-carnitine C13-label-2	0	2542.458	0	0	2202923	2820786	2441456	9942639	1.01E+07	1.09E+07	5418600	6133474	5709726
O-Acetyl-L-carnitine C13-label-3	0	0	0	0	185869.9	243344	176133.1	730670.7	773169.2	773708.5	423696.4	0	419481.5
O-Acetyl-L-carnitine C13-label-4	0	0	0	0	0	0	0	0	0	0	0	0	0
O-Acetyl-L-carnitine C13-label-5	0	0	1873.382	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
O-Acetyl-L-carnitine C13-label-7	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
O-Acetyl-L-carnitine C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Carnitine C12 PARENT	0	14007.05	16159.94	14728.11	2.07E+07	2.22E+07	2.33E+07	2.17E+07	2.86E+07	2.39E+07	2.30E+07	2.70E+07	2.80E+07
L-Carnitine C13-label-1	0	0	0	0	1578573	1685429	1764883	1643358	2201011	1802166	1762505	2068152	2119048
L-Carnitine C13-label-2	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
L-Carnitine C13-label-4	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
L-Carnitine C13-label-6	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
Palmitoyl-L-carnitine C12 PARENT	0	0	0	0	852951.2	2257988	1270304	1192343	1165075	821626.2	70997.4	109263.4	79818.6
Palmitoyl-L-carnitine C13-label-1	0	0	0	0	0	0	0	0	0	0	0	0	0
Palmitoyl-L-carnitine C13-label-2	0	0	0	0	505514.9	1313263	658872.8	91955.09	0	0	0	0	0
Palmitoyl-L-carnitine C13-label-3	0	0	0	0	113119.2	277055	163000.1	47474.14	0	32064.72	8602.604	0	0
Palmitoyl-L-carnitine C13-label-4	0	0	0	0	290999.2	707056.1	441697.9	221887.9	221352.7	154433	0	0	0
Palmitoyl-L-carnitine C13-label-5	0	0	0	0	86259.88	215512.2	112147.3	59090.97	65382	28377.08	0	0	0
Palmitoyl-L-carnitine C13-label-6	0	0	0	0	197679.1	484794	302954.2	205204.1	261999.6	164270.7	0	0	0
Palmitoyl-L-carnitine C13-label-7	0	0	0	0	41233.5	112916.7	66314.51	48503.93	59089.39	46963.67	0	0	0
Palmitoyl-L-carnitine C13-label-8	0	0	0	0	126402.3	304617.4	177961.6	225287.5	218098.2	172799.6	0	0	0
Palmitoyl-L-carnitine C13-label-9	0	0	0	0	12609.78	55362.67	33537.07	57569.48	68571.03	47554.45	0	0	0
Palmitoyl-L-carnitine C13-label-10	0	0	0	0	73555.67	209306.4	117081.4	190076	198254.1	161781.9	0	0	0
Palmitoyl-L-carnitine C13-label-11	0	0	0	0	0	51609.42	28541.86	29657.18	27725.98	36299.62	0	0	0
Palmitoyl-L-carnitine C13-label-12	0	0	0	0	45713.51	0	0	173206.7	142131.5	114572.6	0	0	0
Palmitoyl-L-carnitine C13-label-13	0	0	0	0	0	0	6565.801	0	26574.45	0	0	0	0
Palmitoyl-L-carnitine C13-label-14	0	0	0	0	15914.85	0	33698.67	147240.8	116213.7	82074.15	0	0	0
Palmitoyl-L-carnitine C13-label-15	0	0	0	0	0	0	0	23640.45	10338.05	17326.3	0	0	0
Palmitoyl-L-carnitine C13-label-16	0	0	0	0	0	14673	0	88231.75	91486.88	67847.73	0	0	0
Palmitoyl-L-carnitine C13-label-17	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
Palmitoyl-L-carnitine C13-label-19	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
Palmitoyl-L-carnitine C13-label-21	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
Palmitoyl-L-carnitine C13-label-23	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C12 PARENT	0	0	0	0	464930	969884.2	682946.4	441495.2	383072.5	285094.7	0	9027.361	5692.772
Myristoyl-L-carnitine C13-label-1	0	0	0	0	133808	252272.4	176909.8	119475.4	89999.38	68154.26	0	0	0
Myristoyl-L-carnitine C13-label-2	0	0	0	0	322531.5	548276.9	447712.9	180830.9	170748.5	115013.7	0	0	0
Myristoyl-L-carnitine C13-label-3	0	0	0	0	72461.82	128661.5	97551.01	0	28444.63	24488.73	0	0	0
Myristoyl-L-carnitine C13-label-4	0	0	0	0	216395.8	329241.4	307203.8	222844.8	222893.3	151219.9	0	0	0
Myristoyl-L-carnitine C13-label-5	519.1772	0	0	0	43100.06	97065.12	52387.38	0	60087.43	44784.41	0	0	0
Myristoyl-L-carnitine C13-label-6	0	0	0	0	102739.9	201048.8	159723.2	217009	217361.4	164036.6	0	0	0
Myristoyl-L-carnitine C13-label-7	0	0	0	0	24810.04	56036.23	25791.42	54981.25	46115.98	39875.8	0	0	0
Myristoyl-L-carnitine C13-label-8	0	0	0	0	67177.44	92182.01	104145	208780.1	196311.3	148745.6	0	0	0
Myristoyl-L-carnitine C13-label-9	0	0	0	0	6697.133	0	9647.78	29767.85	25889.45	0	0	0	0
Myristoyl-L-carnitine C13-label-10	0	0	0	0	40902.66	65684.95	52774.74	161540.7	144093	125813.6	0	0	0
Myristoyl-L-carnitine C13-label-11	0	0	0	0	18470.64	0	7646.524	38931.26	34706.79	0	0	0	0
Myristoyl-L-carnitine C13-label-12	0	0	0	0	24134.12	14742.97	25260.24	134905.5	117765.4	84189.67	0	0	0
Myristoyl-L-carnitine C13-label-13	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-14	0	0	0	0	0	0	0	71434.1	56180.67	51452.49	0	0	0
Myristoyl-L-carnitine C13-label-15	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-16	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-17	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-18	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-19	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-20	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-21	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
Acetyl-CoA C12 PARENT	8.264252	810.1323	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-1	8.264318	811.1351	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-2	8.282574	812.1376	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-3	8.284739	813.1407	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-4	8.28975	814.1436	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-5	8.273425	815.1458	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-6	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-7	8.3211	817.1536	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-8	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-9	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-10	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-11	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-12	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-13	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-14	8.241442	824.1783	810.1323	444493	C00024	50043
Acetyl-CoA C13-label-15	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-16	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-17	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-18	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-19	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-20	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-21	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-22	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-23	NA	NA	810.1323	444493	C00024	50043	Peak was not detected
Fasnall C12 PARENT	1.678357	339.1631	339.1631	16230362	NA	NA
Fasnall C13-label-1	1.701267	340.1664	339.1631	16230362	NA	NA
Fasnall C13-label-2	1.658297	341.1711	339.1631	16230362	NA	NA
Fasnall C13-label-3	1.723833	342.1743	339.1631	16230362	NA	NA
Fasnall C13-label-4	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-5	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-6	1.573583	345.1847	339.1631	16230362	NA	NA
Fasnall C13-label-7	1.701867	346.1877	339.1631	16230362	NA	NA
Fasnall C13-label-8	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-9	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-10	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-11	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-12	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-13	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-14	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-15	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-16	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-17	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-18	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
Fasnall C13-label-19	NA	NA	339.1631	16230362	NA	NA	Peak was not detected
GSK2194069 C12 PARENT	1.684213	429.1911	429.1914	67376285	NA	NA
GSK2194069 C13-label-1	1.65017	430.1946	429.1914	67376285	NA	NA
GSK2194069 C13-label-2	1.65017	431.1976	429.1914	67376285	NA	NA
GSK2194069 C13-label-3	1.656594	432.2006	429.1914	67376285	NA	NA
GSK2194069 C13-label-4	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-5	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-6	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-7	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-8	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-9	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-10	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-11	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-12	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-13	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-14	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-15	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-16	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-17	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-18	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-19	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-20	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-21	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-22	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-23	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-24	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-25	NA	NA	429.1914	67376285	NA	NA	Peak was not detected
O-Acetyl-L-carnitine C12 PARENT	6.304233	204.1229	204.1229	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-1	6.308872	205.1259	204.1229	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-2	6.296321	206.1294	204.1229	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-3	6.300106	207.1328	204.1229	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-4	NA	NA	204.1229	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-5	6.25845	209.1394	204.1229	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-6	NA	NA	204.1229	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-7	NA	NA	204.1229	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-8	NA	NA	204.1229	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-9	NA	NA	204.1229	7045767	C02571	NA	Peak was not detected
L-Carnitine C12 PARENT	7.897175	162.1124	162.1124	10917	C00318	42914
L-Carnitine C13-label-1	7.906517	163.1158	162.1124	10917	C00318	42914
L-Carnitine C13-label-2	NA	NA	162.1124	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-3	NA	NA	162.1124	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-4	NA	NA	162.1124	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-5	NA	NA	162.1124	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-6	NA	NA	162.1124	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-7	NA	NA	162.1124	10917	C00318	42914	Peak was not detected
Palmitoyl-L-carnitine C12 PARENT	1.718306	400.3422	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-1	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-2	1.716446	402.3474	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-3	1.70899	403.3514	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-4	1.720637	404.3551	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-5	1.733581	405.3579	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-6	1.7332	406.3619	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-7	1.701859	407.3648	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-8	1.710953	408.3682	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-9	1.678883	409.3712	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-10	1.742961	410.3751	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-11	1.707467	411.3792	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-12	1.712608	412.3818	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-13	1.775325	413.3849	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-14	1.707227	414.3881	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-15	1.738667	415.3915	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-16	1.713333	416.3953	400.3422	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-17	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-18	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-19	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-20	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-21	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-22	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-23	NA	NA	400.3422	11953816	C02990	NA	Peak was not detected
Myristoyl-L-carnitine C12 PARENT	1.811613	372.3102	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-1	1.815706	373.3137	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-2	1.815631	374.3171	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-3	1.811353	375.3202	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-4	1.799856	376.3235	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-5	1.820578	377.3264	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-6	1.81275	378.3306	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-7	1.797006	379.3344	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-8	1.822125	380.3367	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-9	1.822008	381.3404	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-10	1.828425	382.344	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-11	1.802525	383.3481	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-12	1.806289	384.3501	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-13	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-14	1.808983	386.3571	372.3102	53477791	NA	NA
Myristoyl-L-carnitine C13-label-15	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-16	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-17	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-18	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-19	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-20	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-21	NA	NA	372.3102	53477791	NA	NA	Peak was not detected
METABOLITES_END
#END