#METABOLOMICS WORKBENCH dmukha_20240309_151745 DATATRACK_ID:4695 STUDY_ID:ST003148 ANALYSIS_ID:AN005166 PROJECT_ID:PR001941
VERSION             	1
CREATED_ON             	March 26, 2024, 2:03 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 [U-13C6] D-glucose or [U-13C5] L-glutamine and treated
ST:STUDY_TITLE                   	with Fasnall and GSK2194069 for 24 h
ST:STUDY_TYPE                    	Intracellular metabolomics, [U-13C6] glucose tracing
ST:STUDY_SUMMARY                 	BT-474 cells fed with [U-13C6] D-glucose or [U-13C5] L-glutamine and treated
ST:STUDY_SUMMARY                 	with Fasnall and GSK2194069 for 24 h
ST:INSTITUTE                     	Wistar Institute
ST:DEPARTMENT                    	Molecular and Cellular Oncogenesis Program, Ellen and Ronald Caplan Cancer
ST:DEPARTMENT                    	Center
ST:LABORATORY                    	Schug's Lab
ST:LAST_NAME                     	Mukha
ST:FIRST_NAME                    	Dzmitry
ST:ADDRESS                       	3601 Spruce St, Philadelphia, PA 19104, USA
ST:EMAIL                         	dmukha@wistar.org
ST:PHONE                         	2154956903
ST:NUM_GROUPS                    	6
ST:TOTAL_SUBJECTS                	18
ST:PUBLICATIONS                  	Submission Pending
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	60
SU:GENDER                        	Female
SU:CELL_STRAIN_DETAILS           	BT-474, breast cancer cell line
#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           	-	01_Blank	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=01_Blank.raw; RAW_FILE_NAME(Raw File Name)=NEG_01_Blank.mzXML; RAW_FILE_NAME(Raw File Name )=POS_01_Blank.mzXML
SUBJECT_SAMPLE_FACTORS           	-	01_Blank_20220515015111	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=01_Blank_20220515015111.raw; RAW_FILE_NAME(Raw File Name)=NEG_01_Blank_20220515015111.mzXML; RAW_FILE_NAME(Raw File Name )=POS_01_Blank_20220515015111.mzXML
SUBJECT_SAMPLE_FACTORS           	-	02_BT474_Gluc_contr	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:Vehicle	RAW_FILE_NAME(Raw File Name)=02_BT474_Gluc_contr.raw; RAW_FILE_NAME(Raw File Name)=NEG_02_BT474_Gluc_contr.mzXML; RAW_FILE_NAME(Raw File Name )=POS_02_BT474_Gluc_contr.mzXML
SUBJECT_SAMPLE_FACTORS           	-	03_BT474_Gluc_fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=03_BT474_Gluc_fasnall.raw; RAW_FILE_NAME(Raw File Name)=NEG_03_BT474_Gluc_fasnall.mzXML; RAW_FILE_NAME(Raw File Name )=POS_03_BT474_Gluc_fasnall.mzXML
SUBJECT_SAMPLE_FACTORS           	-	04_BT474_Gluc_GSK	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=04_BT474_Gluc_GSK.raw; RAW_FILE_NAME(Raw File Name)=NEG_04_BT474_Gluc_GSK.mzXML; RAW_FILE_NAME(Raw File Name )=POS_04_BT474_Gluc_GSK.mzXML
SUBJECT_SAMPLE_FACTORS           	-	05_BT474_Gluc_contr	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:Vehicle	RAW_FILE_NAME(Raw File Name)=05_BT474_Gluc_contr.raw; RAW_FILE_NAME(Raw File Name)=NEG_05_BT474_Gluc_contr.mzXML; RAW_FILE_NAME(Raw File Name )=POS_05_BT474_Gluc_contr.mzXML
SUBJECT_SAMPLE_FACTORS           	-	06_BT474_Gluc_fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=06_BT474_Gluc_fasnall.raw; RAW_FILE_NAME(Raw File Name)=NEG_06_BT474_Gluc_fasnall.mzXML; RAW_FILE_NAME(Raw File Name )=POS_06_BT474_Gluc_fasnall.mzXML
SUBJECT_SAMPLE_FACTORS           	-	07_BT474_Gluc_GSK	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=07_BT474_Gluc_GSK.raw; RAW_FILE_NAME(Raw File Name)=NEG_07_BT474_Gluc_GSK.mzXML; RAW_FILE_NAME(Raw File Name )=POS_07_BT474_Gluc_GSK.mzXML
SUBJECT_SAMPLE_FACTORS           	-	08_BT474_Gluc_contr	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:Vehicle	RAW_FILE_NAME(Raw File Name)=08_BT474_Gluc_contr.raw; RAW_FILE_NAME(Raw File Name)=NEG_08_BT474_Gluc_contr.mzXML; RAW_FILE_NAME(Raw File Name )=POS_08_BT474_Gluc_contr.mzXML
SUBJECT_SAMPLE_FACTORS           	-	09_BT474_Gluc_fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=09_BT474_Gluc_fasnall.raw; RAW_FILE_NAME(Raw File Name)=NEG_09_BT474_Gluc_fasnall.mzXML; RAW_FILE_NAME(Raw File Name )=POS_09_BT474_Gluc_fasnall.mzXML
SUBJECT_SAMPLE_FACTORS           	-	10_BT474_Gluc_GSK	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=10_BT474_Gluc_GSK.raw; RAW_FILE_NAME(Raw File Name)=NEG_10_BT474_Gluc_GSK.mzXML; RAW_FILE_NAME(Raw File Name )=POS_10_BT474_Gluc_GSK.mzXML
SUBJECT_SAMPLE_FACTORS           	-	11_Blank	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=11_Blank.raw; RAW_FILE_NAME(Raw File Name)=NEG_11_Blank.mzXML; RAW_FILE_NAME(Raw File Name )=POS_11_Blank.mzXML
SUBJECT_SAMPLE_FACTORS           	-	12_BT474_Gln_contr	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:Vehicle	RAW_FILE_NAME(Raw File Name)=12_BT474_Gln_contr.raw; RAW_FILE_NAME(Raw File Name)=NEG_12_BT474_Gln_contr.mzXML; RAW_FILE_NAME(Raw File Name )=POS_12_BT474_Gln_contr.mzXML
SUBJECT_SAMPLE_FACTORS           	-	13_BT474_Gln_fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=13_BT474_Gln_fasnall.raw; RAW_FILE_NAME(Raw File Name)=NEG_13_BT474_Gln_fasnall.mzXML; RAW_FILE_NAME(Raw File Name )=POS_13_BT474_Gln_fasnall.mzXML
SUBJECT_SAMPLE_FACTORS           	-	14_BT474_Gln_GSK	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=14_BT474_Gln_GSK.raw; RAW_FILE_NAME(Raw File Name)=NEG_14_BT474_Gln_GSK.mzXML; RAW_FILE_NAME(Raw File Name )=POS_14_BT474_Gln_GSK.mzXML
SUBJECT_SAMPLE_FACTORS           	-	15_BT474_Gln_contr	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:Vehicle	RAW_FILE_NAME(Raw File Name)=15_BT474_Gln_contr.raw; RAW_FILE_NAME(Raw File Name)=NEG_15_BT474_Gln_contr.mzXML; RAW_FILE_NAME(Raw File Name )=POS_15_BT474_Gln_contr.mzXML
SUBJECT_SAMPLE_FACTORS           	-	16_BT474_Gln_fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=16_BT474_Gln_fasnall.raw; RAW_FILE_NAME(Raw File Name)=NEG_16_BT474_Gln_fasnall.mzXML; RAW_FILE_NAME(Raw File Name )=POS_16_BT474_Gln_fasnall.mzXML
SUBJECT_SAMPLE_FACTORS           	-	17_BT474_Gln_GSK	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=17_BT474_Gln_GSK.raw; RAW_FILE_NAME(Raw File Name)=NEG_17_BT474_Gln_GSK.mzXML; RAW_FILE_NAME(Raw File Name )=POS_17_BT474_Gln_GSK.mzXML
SUBJECT_SAMPLE_FACTORS           	-	18_BT474_Gln_contr	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:Vehicle	RAW_FILE_NAME(Raw File Name)=18_BT474_Gln_contr.raw; RAW_FILE_NAME(Raw File Name)=NEG_18_BT474_Gln_contr.mzXML; RAW_FILE_NAME(Raw File Name )=POS_18_BT474_Gln_contr.mzXML
SUBJECT_SAMPLE_FACTORS           	-	19_BT474_Gln_fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM Fasnall	RAW_FILE_NAME(Raw File Name)=19_BT474_Gln_fasnall.raw; RAW_FILE_NAME(Raw File Name)=NEG_19_BT474_Gln_fasnall.mzXML; RAW_FILE_NAME(Raw File Name )=POS_19_BT474_Gln_fasnall.mzXML
SUBJECT_SAMPLE_FACTORS           	-	20_BT474_Gln_GSK	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM GSK2194069	RAW_FILE_NAME(Raw File Name)=20_BT474_Gln_GSK.raw; RAW_FILE_NAME(Raw File Name)=NEG_20_BT474_Gln_GSK.mzXML; RAW_FILE_NAME(Raw File Name )=POS_20_BT474_Gln_GSK.mzXML
SUBJECT_SAMPLE_FACTORS           	-	21_Blank	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA	RAW_FILE_NAME(Raw File Name)=21_Blank.raw; RAW_FILE_NAME(Raw File Name)=NEG_21_Blank.mzXML; RAW_FILE_NAME(Raw File Name )=POS_21_Blank.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 [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_CONCENTRATION_DILUTION	None
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	01_Blank	01_Blank_20220515015111	02_BT474_Gluc_contr	03_BT474_Gluc_fasnall	04_BT474_Gluc_GSK	05_BT474_Gluc_contr	06_BT474_Gluc_fasnall	07_BT474_Gluc_GSK	08_BT474_Gluc_contr	09_BT474_Gluc_fasnall	10_BT474_Gluc_GSK	11_Blank	12_BT474_Gln_contr	13_BT474_Gln_fasnall	14_BT474_Gln_GSK	15_BT474_Gln_contr	16_BT474_Gln_fasnall	17_BT474_Gln_GSK	18_BT474_Gln_contr	19_BT474_Gln_fasnall	20_BT474_Gln_GSK	21_Blank
Factors	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:Vehicle	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM GSK2194069	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:Vehicle	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM GSK2194069	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:Vehicle	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C6] D-glucose | Drug Treatment:1 uM GSK2194069	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:Vehicle	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM GSK2194069	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:Vehicle	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM GSK2194069	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:Vehicle	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM Fasnall	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:[13C5] L-glutamine | Drug Treatment:1 uM GSK2194069	Sample source:BT-474 intracellular metabolites | Isotopic Tracer:NA | Drug Treatment:NA
Malonyl-L-carnitine C12 PARENT	9013.401	7423.994	186484.8	146814.3	553441.8	201374.4	142248.1	589411.5	195568.4	146740.3	602883	5716.592	249792.6	194177.3	1426886	251176.7	211559	1220306	259659.7	208807.7	1371180	7909.633
Malonyl-L-carnitine C13-label-1	0	0	18346.16	0	90520.69	25283.73	0	101403.7	21321.29	0	72499.59	0	30191.66	0	145754.6	28028.29	0	132578.4	28838.48	0	144920.5	0
Malonyl-L-carnitine C13-label-2	0	0	44482.54	0	495900.4	18392.81	0	537319.6	36449.57	0	377749.2	0	8041.54	0	66272.6	6563.918	0	38133.9	9888.196	0	67975.88	0
Malonyl-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	0
Malonyl-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	0
Malonyl-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	0
Malonyl-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	0
Malonyl-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	0
Malonyl-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	0
Malonyl-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	0
Malonyl-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	0
L-Glutathione oxidized C12 PARENT	0	0	2150906	1586010	1253597	1805228	1688539	1538225	2428620	1028865	748673	0	2815760	1042703	4292826	3990562	1022516	4876246	3622956	922504.3	5657062	0
L-Glutathione oxidized C13-label-1	0	0	970049.1	369721.3	354189	781554.8	446470.2	471610	736302.7	144201.1	196031.1	0	1583707	306776.4	2359279	2236673	270123.5	2531765	1960404	61221.57	2976810	0
L-Glutathione oxidized C13-label-2	0	0	2098829	1319223	1337570	1806436	1504661	1578667	2481116	1343680	1392164	0	1009262	340683	1266864	1382522	284801.9	1329061	1327888	301396.4	1583501	0
L-Glutathione oxidized C13-label-3	0	0	1700157	702085.3	1138788	1435286	795298	1324495	1922967	650752.8	824576.5	0	1183887	404362.2	1434690	1762277	332648.4	1643081	1457757	240952.9	1873228	0
L-Glutathione oxidized C13-label-4	0	0	1993699	849960.8	1335282	1711249	975087.3	1639963	2356060	864265.1	1441521	0	513815	184895.1	614835.8	762128.4	50259.27	652436.5	694257.2	99016.93	759233.8	0
L-Glutathione oxidized C13-label-5	0	0	1813418	614997.3	1252437	1483631	702342	1580784	2002219	638131.1	1398557	0	1678373	1166215	2107191	2340525	1204390	2248179	2139811	1081242	2577499	0
L-Glutathione oxidized C13-label-6	0	0	1174768	409233.3	749452.2	967493.8	447004.7	986537.8	1330746	400461.9	860536.2	0	715384.6	330381.6	700600.6	981485	347505.9	757438.4	834784.3	310234.9	886098.7	0
L-Glutathione oxidized C13-label-7	0	0	932845.8	179555.7	614632.6	692333.3	296727.7	721148.3	1015219	264520.3	466600	0	287198.6	90187.95	0	170080.8	0	97796.73	100298.7	52825.89	0	0
L-Glutathione oxidized C13-label-8	0	0	556580.8	108116	0	513352.3	120441.7	504855.5	550762.1	112732.4	452021.6	0	0	156271.2	160166.5	447835.9	104068.2	303910.9	282653.1	65755.09	384093.2	0
L-Glutathione oxidized C13-label-9	0	0	311728.3	61055.83	300501.5	189598	21500.87	207982.8	361127.8	0	168386.7	0	38017.52	20410.74	0	17879.08	13211.02	22171.48	0	0	0	0
L-Glutathione oxidized C13-label-10	0	0	39096.02	10661.47	0	70833.41	0	0	0	18974.77	0	0	205740.8	289712	49237.56	211469	267437.9	220317	172654.6	168144.1	264269.2	0
L-Glutathione oxidized C13-label-11	0	0	0	0	0	0	0	0	0	0	0	0	18246.75	0	0	0	16831.82	0	15366.8	13458.57	0	0
L-Glutathione oxidized C13-label-12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione oxidized C13-label-13	0	0	0	0	17274.6	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione oxidized C13-label-14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione oxidized C13-label-15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione oxidized C13-label-16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione oxidized C13-label-17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione oxidized C13-label-18	0	0	0	0	0	0	0	0	34092.66	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione oxidized C13-label-19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	27398.33	0	0	0	0	0	0
L-Glutathione oxidized C13-label-20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione reduced C12 PARENT	146743.1	89080.59	1.36E+08	8.40E+07	1.56E+08	1.66E+08	6.72E+07	1.51E+08	1.50E+08	7.14E+07	1.66E+08	2993037	1.65E+08	6.22E+07	1.93E+08	1.37E+08	5.92E+07	1.57E+08	1.52E+08	5.54E+07	1.63E+08	4565142
L-Glutathione reduced C13-label-1	0	9432.692	2.90E+07	1.23E+07	3.51E+07	3.58E+07	9766647	3.34E+07	3.22E+07	1.01E+07	3.69E+07	490386.2	4.54E+07	1.00E+07	4.80E+07	3.64E+07	9564669	3.94E+07	4.14E+07	8721614	4.05E+07	871652.7
L-Glutathione reduced C13-label-2	0	0	3.94E+07	1.73E+07	5.00E+07	1.97E+07	2.70E+07	1.78E+07	2.52E+07	1.16E+07	0	966541.2	1.56E+07	5506874	4760779	5974696	4501983	0	1.21E+07	6825752	4384084	505388.1
L-Glutathione reduced C13-label-3	0	0	2.70E+07	1.23E+07	3.44E+07	1.65E+07	9039703	2.53E+07	2.92E+07	9816307	0	570517.9	2.89E+07	9316045	2.70E+07	2.37E+07	8682336	7696884	1.80E+07	8310098	6199824	530774.6
L-Glutathione reduced C13-label-4	0	0	1.44E+07	7287804	1.96E+07	0	7488714	0	9545457	0	0	606914.4	5135008	2395777	4284288	4340402	2295254	2231329	4341188	2270240	3625318	185151.5
L-Glutathione reduced C13-label-5	0	0	8007218	3559940	1.50E+07	0	7469434	0	1.48E+07	5422012	0	430391	4.69E+07	3.21E+07	2.63E+07	3.80E+07	3.06E+07	2.27E+07	2.86E+07	2.97E+07	9518620	816113.8
L-Glutathione reduced C13-label-6	0	0	961627.4	800973.4	0	0	922677.8	0	1070147	1057204	0	49351.34	2365058	1575314	1946923	1758682	1354618	1579277	1957664	1439588	1642985	46960.8
L-Glutathione reduced C13-label-7	0	0	289149.5	374351.1	0	0	780538.8	0	279673	944051.2	0	14911.34	0	0	0	0	0	0	0	0	0	0
L-Glutathione reduced C13-label-8	0	0	0	0	0	0	27432.74	0	20998.74	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione reduced C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Glutathione reduced C13-label-10	0	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	0	0	132078.7	226932.8	122655.2	208451	189273.5	100809.9	184602.4	184911.5	81094.38	0	401322.5	268260.8	77512.98	261657.8	249146.6	78912.14	375936.1	258369	100578.3	0
Stearoyl-L-carnitine C13-label-1	0	0	0	35837.45	0	0	20733.61	0	0	16719.31	0	0	147692.4	48820.23	0	35353.3	18359.15	0	50190.68	58366.5	0	0
Stearoyl-L-carnitine C13-label-2	0	0	17397.95	0	0	20236.06	0	0	19181.22	15937.7	0	0	95083.82	10627.95	0	40048.87	16636.88	0	52494.26	13177.26	0	0
Stearoyl-L-carnitine C13-label-3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11434.65	0	0	12975.28	0	0	0
Stearoyl-L-carnitine C13-label-4	0	0	0	0	0	0	0	0	0	0	0	0	17580.87	0	0	0	0	0	27054.08	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	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	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	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	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	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	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	0
Stearoyl-L-carnitine C13-label-12	0	0	0	0	0	0	0	0	16551.26	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	0
Stearoyl-L-carnitine C13-label-14	0	0	17071.08	0	0	0	0	0	34073.7	0	0	0	0	0	0	0	0	0	0	0	0	0
Stearoyl-L-carnitine C13-label-15	0	0	11772.3	0	0	0	0	0	12627.12	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	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	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	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	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	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	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	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	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	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	0
Palmitoyl-L-carnitine C12 PARENT	0	0	2710328	3800665	405656.8	3390336	3167392	388136	3017767	3188571	374058.5	0	7334562	5697354	419842.3	6383926	6294602	317106.8	8073028	6454646	453605.5	0
Palmitoyl-L-carnitine C13-label-1	0	0	0	0	0	0	0	0	0	0	0	0	2584476	1721714	0	2134668	1322040	0	2719871	1839652	0	0
Palmitoyl-L-carnitine C13-label-2	0	0	0	222485.4	0	0	90637.15	0	67599.99	60405.43	0	0	2526886	1557893	0	2102239	1779877	0	2787571	1786773	0	0
Palmitoyl-L-carnitine C13-label-3	0	0	10691.45	41216.07	0	12001.1	17105.62	0	13629.92	19515.25	0	0	816301.8	398161.8	0	673590.1	427285.5	0	866756.4	460229.3	0	0
Palmitoyl-L-carnitine C13-label-4	0	0	165772.4	280762.8	0	228326.8	207410.1	0	195064.2	209310.5	0	0	834480.6	1287502	0	725893.2	1404691	0	903712.3	1473357	0	0
Palmitoyl-L-carnitine C13-label-5	0	0	106780.3	97419.43	0	136672.3	84029.03	0	113939.7	40839.46	0	0	246334.3	318525.2	0	204871.7	403720.5	0	282439.6	382748.3	0	0
Palmitoyl-L-carnitine C13-label-6	0	0	438203.2	560891.9	0	591143.3	480883.4	0	450799.7	443296.2	0	0	195252.8	955488.1	0	181132.5	1058931	0	163678.5	1185265	0	0
Palmitoyl-L-carnitine C13-label-7	0	0	240333	196237.7	0	304673.7	163797	0	244805.6	159447.9	0	0	34613.06	208026.5	0	44273	254275.1	0	45541.21	275847.7	0	0
Palmitoyl-L-carnitine C13-label-8	20855.47	16003.6	872569.5	972364.8	0	1183837	790134.3	0	965520.6	733273.8	0	0	120520.5	614340.6	0	0	731690.7	0	81943.41	702706.3	0	28121.48
Palmitoyl-L-carnitine C13-label-9	9237.176	5784.883	349836.2	293140.9	0	501558.4	254235.3	0	450143.3	238348.3	0	2823.743	10706.78	46348.19	0	10408.48	171325.7	0	0	90192.37	0	9142.102
Palmitoyl-L-carnitine C13-label-10	0	0	1201209	1179865	0	1487762	842922.8	0	1364835	796805.3	0	0	0	200525	0	0	258580.3	0	0	297668.2	0	0
Palmitoyl-L-carnitine C13-label-11	0	0	456796.8	304401.8	0	617045.8	210589.1	0	518187.6	229673.5	0	0	0	29402.42	0	0	35323.64	0	0	40347.24	0	0
Palmitoyl-L-carnitine C13-label-12	0	0	1187945	1000252	0	1425481	773041	0	1187536	752396.4	0	0	0	74968.02	0	0	84876.48	0	0	94798.12	0	0
Palmitoyl-L-carnitine C13-label-13	0	0	347052.5	219753.5	0	465940.5	133803.5	0	346195.4	110588.4	0	0	0	0	0	0	0	0	0	0	0	0
Palmitoyl-L-carnitine C13-label-14	0	0	682011.1	594346.3	0	865954.8	421814.8	0	836730.2	391773	0	0	0	11448.9	0	0	0	0	0	0	0	0
Palmitoyl-L-carnitine C13-label-15	0	0	97462.06	53389.58	0	190861.8	56157.71	0	140252.3	73657.07	0	0	0	0	0	0	0	0	0	0	0	0
Palmitoyl-L-carnitine C13-label-16	0	0	139180.9	193795.8	0	213721.2	135565.7	0	141792	81057.65	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	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	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	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	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	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	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	0
O-Acetyl-L-carnitine C12 PARENT	34370.84	38141.49	2.07E+07	2.60E+07	2.40E+07	2.30E+07	2.46E+07	2.28E+07	2.08E+07	2.28E+07	2.48E+07	35451.54	5.54E+07	6.36E+07	6.61E+07	6.16E+07	6.52E+07	5.50E+07	5.99E+07	5.75E+07	5.38E+07	36787.5
O-Acetyl-L-carnitine C13-label-1	0	1814.541	3421248	3364410	5173602	3789915	2986946	4607734	3327272	2828166	5007232	0	5717534	6029602	6868264	6366546	6131832	5193662	6327848	5263370	5514036	0
O-Acetyl-L-carnitine C13-label-2	0	0	3.66E+07	4.28E+07	3.95E+07	3.89E+07	3.78E+07	3.57E+07	3.55E+07	3.65E+07	4.04E+07	0	1917016	5100898	1362715	2143171	5718256	1117494	1985613	4991072	1164224	0
O-Acetyl-L-carnitine C13-label-3	0	0	2505226	3057214	2735013	2757393	2605467	2341309	2573740	2639524	2818635	0	54056.44	397812.1	56042.19	122186.9	356094.8	45650.8	71022.06	413778.5	58747.19	0
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	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	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	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	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	0
O-Acetyl-L-carnitine C13-label-9	0	0	0	0	0	0	0	0	38634.05	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C12 PARENT	0	0	1127534	1536514	45290.64	1139930	1165139	83800.88	1212767	1232964	89960.82	0	5363288	4629346	0	5452018	4532676	75454.03	5754904	4655770	46948.38	0
Myristoyl-L-carnitine C13-label-1	0	0	276212.6	385215	0	244120.5	274245.1	18163.7	277246.2	279342.9	15332.9	0	1689566	1063425	16123.29	1616948	1097901	49742.16	1802212	1082538	18630.01	0
Myristoyl-L-carnitine C13-label-2	0	0	135340.1	242062.4	0	135614	233805.7	0	144485.3	217310	0	0	2150640	3096245	0	2166189	3042240	0	2302154	3153875	0	0
Myristoyl-L-carnitine C13-label-3	0	0	60403.7	98823.03	0	63868.06	41037.62	0	33753.93	75446.49	0	0	658896.7	554781	0	648686.8	664807.6	0	668675.9	610057.6	0	0
Myristoyl-L-carnitine C13-label-4	0	0	245048.1	578359.4	0	288777.7	470055.8	0	324237.3	424816.2	0	0	670029.4	2296310	0	601058.6	2325934	0	650570.6	2429959	0	0
Myristoyl-L-carnitine C13-label-5	0	0	201053.4	225814.2	0	203856.5	173221.8	0	205195	163744.2	0	0	160581.1	494818.5	0	192166.5	546364.7	0	177705.8	520023.3	0	3474.686
Myristoyl-L-carnitine C13-label-6	0	0	703458.5	1043200	0	780475.2	892393.8	0	650728.2	792682.6	0	0	113128	1415431	0	106847.9	1308930	0	129093.9	1465801	0	0
Myristoyl-L-carnitine C13-label-7	0	0	270441.5	319170.5	0	355588.4	271227.4	0	346156.7	248601.7	0	0	15763.64	253871.9	0	10975.26	293766.5	0	21201.2	302330.3	0	0
Myristoyl-L-carnitine C13-label-8	34797.52	7966.419	1230984	1415658	32441.07	1193698	1259737	19066.29	1124248	1223529	0	4752.436	60997.28	695696.1	0	0	680276.8	15275.63	34635.89	766063.8	0	29758.33
Myristoyl-L-carnitine C13-label-9	4318.25	2252.949	490792.3	393387.2	0	476430.1	303370.6	0	441952.1	385387.7	0	0	0	93450.21	0	0	104779.8	0	0	61950.65	0	0
Myristoyl-L-carnitine C13-label-10	0	0	1321358	1660959	0	1295448	1206198	0	1361100	1210406	0	0	0	202013.1	0	0	178284.2	0	0	214062	0	0
Myristoyl-L-carnitine C13-label-11	0	0	412714.8	330599.6	0	373566.7	53963.52	0	331903.4	259039.6	0	0	0	0	0	0	15623.29	0	0	0	0	0
Myristoyl-L-carnitine C13-label-12	0	0	835258.8	963182.6	0	885846.3	786233.4	0	930906.4	817590	0	0	0	35045.97	0	0	20832.09	0	0	0	0	0
Myristoyl-L-carnitine C13-label-13	0	0	145452.2	107622.6	0	147178.7	100612.7	0	203854.6	98086.25	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-14	0	0	295445.6	340325.4	0	230855.5	242039.9	0	322697.7	261367.8	0	0	0	0	0	0	0	0	0	0	0	0
Myristoyl-L-carnitine C13-label-15	0	0	9557.622	19714.43	0	0	0	0	14216.24	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	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	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	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	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	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	0	0	0	0	0	0	0	0	0
Lauroyl-L-carnitine C12 PARENT	2174.664	2147.186	154361.5	159811.9	21443.27	161835.7	176479.7	30200.78	144165.4	176971.3	16419.81	0	617094	627884.7	45611.84	727371.2	676835.8	57584.61	709311.8	526066.7	40107.62	2125.415
Lauroyl-L-carnitine C13-label-1	0	0	34196.62	17620.18	0	16610.96	30853.51	0	26018.9	26128.06	0	0	176643.5	149472.4	0	158073.1	140669.7	0	148928.5	135869.3	0	0
Lauroyl-L-carnitine C13-label-2	0	0	0	0	0	0	0	0	0	19184.69	0	0	200297.5	232302.9	0	218569.7	221295.3	0	194834.6	206218.3	0	0
Lauroyl-L-carnitine C13-label-3	0	0	0	0	0	0	0	0	0	0	0	0	51866.56	54101.86	0	42532.12	64313.24	0	41171.79	46374.46	0	0
Lauroyl-L-carnitine C13-label-4	0	0	36327.01	24878.14	0	46781.88	9534.196	0	42512.79	30175.1	0	0	43094.15	148768.9	0	32596.12	184130.2	0	42936.79	162515.5	0	0
Lauroyl-L-carnitine C13-label-5	0	0	18032.09	25557.82	0	0	0	0	13042.33	0	0	0	0	17693.93	0	0	41787.63	0	0	19128.11	0	0
Lauroyl-L-carnitine C13-label-6	0	0	74867.34	41309.07	0	62619.42	74322.5	0	85568.92	74439.8	0	0	0	67961.41	0	0	79611.09	0	0	74684.78	0	0
Lauroyl-L-carnitine C13-label-7	0	0	14757	38394.11	0	32195.89	0	0	12228.46	17374.34	0	0	0	0	0	0	0	0	0	0	0	0
Lauroyl-L-carnitine C13-label-8	0	0	130708.6	104385.5	0	104754.5	70372.64	0	111359.7	93626.94	0	0	0	30523.28	0	0	28720.17	0	0	30345.96	0	0
Lauroyl-L-carnitine C13-label-9	0	0	40648.14	10389.46	0	12072.41	18373.91	0	36789.82	14421.87	0	0	0	0	0	0	0	0	0	0	0	0
Lauroyl-L-carnitine C13-label-10	0	0	82207.55	45212.07	0	36465.57	84390.72	0	0	86439.52	0	0	0	0	0	0	0	0	0	0	0	0
Lauroyl-L-carnitine C13-label-11	0	0	17580.12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Lauroyl-L-carnitine C13-label-12	0	0	20007.85	20150.24	0	17240.51	13552.4	0	14293.43	0	0	0	0	0	0	0	0	0	0	0	0	0
Lauroyl-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	0
Lauroyl-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	0
Lauroyl-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	0
Lauroyl-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	0
Lauroyl-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	0
Lauroyl-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	0
Lauroyl-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	0
L-Carnitine C12 PARENT	28793.06	21162.5	4.07E+07	4.07E+07	6.40E+07	4.70E+07	3.71E+07	6.66E+07	4.71E+07	3.99E+07	6.29E+07	33602.7	4.69E+07	6.12E+07	8.75E+07	5.27E+07	6.00E+07	8.16E+07	5.18E+07	5.06E+07	8.60E+07	18904.27
L-Carnitine C13-label-1	0	2239.268	3144568	3147629	4993360	3662281	2846202	5272803	3625367	3026576	3002908	0	3598286	4768354	6893310	4026484	4634821	6425866	3948683	3929294	6770404	0
L-Carnitine C13-label-2	0	0	15648.16	7138.873	18689.63	37072.89	0	22533.38	9893.065	6616.8	14010.98	0	20582.31	15204.39	46077.11	11753.5	17214.59	26640.54	25109	17101.62	57370.21	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	0
L-Carnitine C13-label-4	0	0	3175.947	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	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	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	0
Eicosenoyl-L-carnitine C12 PARENT	0	0	85154.27	84135.05	81879.46	90187.88	51494.98	51537.06	48222.32	45080.49	73277.24	0	106330.6	100099.7	28105.92	72967.51	85534.63	49766.89	111187.2	104294.2	28814.31	0
Eicosenoyl-L-carnitine C13-label-1	0	0	0	0	14652.33	0	0	0	0	0	0	0	0	0	0	15700.31	11277.58	0	23917.88	0	0	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-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	0
Eicosenoyl-L-carnitine C13-label-26	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Eicosenoyl-L-carnitine C13-label-27	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-L-carnitine C12 PARENT	0	0	2084670	2711283	396800.7	2558675	2200899	341520.9	2275847	2206793	300052.1	0	3528703	3269037	501307.9	2800319	3532284	379245.7	3638386	3394048	512255.8	0
Oleoyl-L-carnitine C13-label-1	0	0	585346.3	759203.8	67497.38	725166.3	575102.5	96662.37	634460.5	643101.4	104159.2	0	1029773	860475.6	86932.45	793045.9	966886.1	40657.67	1021835	880012.8	145650.9	0
Oleoyl-L-carnitine C13-label-2	0	0	258170	65790.27	0	192657.4	0	0	198719.6	51963.12	0	0	0	0	0	0	42826.13	0	0	0	0	0
Oleoyl-L-carnitine C13-label-3	0	0	38168.06	27382.66	26726.59	22739.94	0	0	34084.66	12685.3	0	0	34461.72	0	0	13816.07	0	0	0	0	0	0
Oleoyl-L-carnitine C13-label-4	0	0	0	0	0	0	0	0	0	0	0	0	9666.156	70243.74	0	15088.13	33467.23	0	0	21306.02	0	0
Oleoyl-L-carnitine C13-label-5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	11609.75	0	0
Oleoyl-L-carnitine C13-label-6	0	0	0	0	0	14822.92	0	0	17011.48	0	0	0	15359.16	37796.95	0	0	66211.45	0	0	18284.01	0	0
Oleoyl-L-carnitine C13-label-7	0	0	0	0	0	12772.14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-L-carnitine C13-label-8	0	0	18651.05	0	0	61851.83	0	0	31697.74	0	0	0	0	13659.26	0	0	48724.78	0	0	0	0	0
Oleoyl-L-carnitine C13-label-9	0	0	0	0	0	13302.89	0	0	19857.63	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-L-carnitine C13-label-10	0	0	72445.34	40310.48	0	66706.12	0	0	103577.8	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-L-carnitine C13-label-11	0	0	38166.05	0	0	49005.48	0	0	19341.3	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-L-carnitine C13-label-12	0	0	68349.73	0	0	82365.2	0	0	34390.51	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-L-carnitine C13-label-13	0	0	0	0	0	17150.06	0	0	12142.34	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-L-carnitine C13-label-14	0	0	29147.07	0	0	31960.21	0	0	36320.64	13209.17	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-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	0
Oleoyl-L-carnitine C13-label-16	0	0	11932.04	0	0	0	0	0	11626.9	0	0	0	0	0	0	0	0	0	0	0	0	0
Oleoyl-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	0
Oleoyl-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	0
Oleoyl-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	0
Oleoyl-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	0
Oleoyl-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	0
Oleoyl-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	0
Oleoyl-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	0
Oleoyl-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	0
Oleoyl-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	0
Palmitoleoyl-L-carnitine C12 PARENT	0	0	1783518	2336458	163026	2021573	1976719	135678.1	1966178	2040785	147961	0	3837481	3611637	346048.7	3596431	3445814	276115.3	4193775	3502102	307312.5	0
Palmitoleoyl-L-carnitine C13-label-1	0	0	477614.1	563188.4	0	477541.4	482898.4	0	490274	561607.6	0	0	1099805	840938.6	49003.86	1055492	914196.7	0	1146636	857294.7	0	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Palmitoleoyl-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	0
Fasnall C12 PARENT	0	0	0	8.85E+07	0	0	8.41E+07	0	0	7.81E+07	0	0	0	1.12E+08	0	0	1.20E+08	0	0	1.17E+08	0	0
Fasnall C13-label-1	0	0	0	1.81E+07	0	0	1.72E+07	0	0	1.58E+07	0	0	0	2.33E+07	0	0	2.49E+07	0	0	2.38E+07	0	0
Fasnall C13-label-2	0	0	0	1345330	0	0	1309028	0	0	1273072	0	0	0	1809866	0	0	1917789	0	0	1877984	0	0
Fasnall C13-label-3	0	0	0	50938.12	0	0	60851.71	0	0	37048.87	0	0	0	93224.15	0	0	78397.26	0	0	90086.34	0	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	0
GSK2194069 C12 PARENT	0	1853.249	0	0	7.17E+07	0	0	7.16E+07	0	0	6.97E+07	0	0	0	8.59E+07	0	0	8.32E+07	0	0	9.18E+07	2711.195
GSK2194069 C13-label-1	0	0	0	0	1.94E+07	0	0	1.96E+07	0	0	1.89E+07	0	0	0	2.40E+07	0	0	2.29E+07	0	0	2.55E+07	0
GSK2194069 C13-label-2	0	0	0	0	2455883	0	0	2730476	0	0	2817027	0	0	0	3425713	0	0	2209903	0	0	3621277	0
GSK2194069 C13-label-3	0	0	0	0	190789.9	0	0	164064.9	0	0	283694.2	0	0	0	96951.91	0	0	118728.9	0	0	224812.5	0
GSK2194069 C13-label-4	0	0	0	0	0	0	0	0	0	0	15056.71	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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	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
Malonyl-L-carnitine C12 PARENT	8.358253	248.1122	248.1122	91825606	NA	NA
Malonyl-L-carnitine C13-label-1	8.353484	249.1155	248.1122	91825606	NA	NA
Malonyl-L-carnitine C13-label-2	8.355351	250.1187	248.1122	91825606	NA	NA
Malonyl-L-carnitine C13-label-3	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
Malonyl-L-carnitine C13-label-4	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
Malonyl-L-carnitine C13-label-5	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
Malonyl-L-carnitine C13-label-6	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
Malonyl-L-carnitine C13-label-7	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
Malonyl-L-carnitine C13-label-8	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
Malonyl-L-carnitine C13-label-9	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
Malonyl-L-carnitine C13-label-10	NA	NA	248.1122	91825606	NA	NA	Peak was not detected
L-Glutathione oxidized C12 PARENT	10.73449	613.1566	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-1	10.72441	614.16	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-2	10.73114	615.1634	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-3	10.73449	616.1669	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-4	10.72941	617.1703	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-5	10.72888	618.1736	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-6	10.72777	619.1772	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-7	10.74036	620.1804	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-8	10.69021	621.1851	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-9	10.75071	622.1873	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-10	10.72286	623.1905	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-11	10.68663	624.1964	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-12	NA	NA	613.1567	"	65359"	C00127	49863	Peak was not detected
L-Glutathione oxidized C13-label-13	10.80682	626.2044	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-14	NA	NA	613.1567	"	65359"	C00127	49863	Peak was not detected
L-Glutathione oxidized C13-label-15	NA	NA	613.1567	"	65359"	C00127	49863	Peak was not detected
L-Glutathione oxidized C13-label-16	NA	NA	613.1567	"	65359"	C00127	49863	Peak was not detected
L-Glutathione oxidized C13-label-17	NA	NA	613.1567	"	65359"	C00127	49863	Peak was not detected
L-Glutathione oxidized C13-label-18	10.6438	631.2194	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-19	10.73162	632.2261	613.1567	"	65359"	C00127	49863
L-Glutathione oxidized C13-label-20	NA	NA	613.1567	"	65359"	C00127	49863	Peak was not detected
L-Glutathione reduced C12 PARENT	9.114709	308.0898	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-1	9.125642	309.0933	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-2	9.096329	310.0964	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-3	9.117088	311.0998	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-4	9.126654	312.1032	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-5	9.120917	313.1065	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-6	9.125759	314.1102	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-7	9.165767	315.1131	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-8	9.133125	316.1166	308.0898	124886	C00051	37087
L-Glutathione reduced C13-label-9	NA	NA	308.0898	124886	C00051	37087	Peak was not detected
L-Glutathione reduced C13-label-10	NA	NA	308.0898	124886	C00051	37087	Peak was not detected
Stearoyl-L-carnitine C12 PARENT	1.709729	428.3727	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-1	1.72875	429.3756	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-2	1.711159	430.3793	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-3	1.718433	431.382	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-4	1.709525	432.386	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-5	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-6	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-7	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-8	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-9	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-10	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-11	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-12	1.668383	440.4129	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-13	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-14	1.718108	442.4201	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-15	1.749025	443.4221	428.3727	3006797	NA	NA
Stearoyl-L-carnitine C13-label-16	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-17	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-18	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-19	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-20	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-21	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-22	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-23	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-24	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Stearoyl-L-carnitine C13-label-25	NA	NA	428.3727	3006797	NA	NA	Peak was not detected
Palmitoyl-L-carnitine C12 PARENT	1.768724	400.3408	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-1	1.764928	401.3441	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-2	1.783162	402.3475	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-3	1.780769	403.3512	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-4	1.766828	404.3548	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-5	1.766982	405.3579	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-6	1.77029	406.3615	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-7	1.767037	407.3647	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-8	1.754092	408.3675	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-9	1.738464	409.3709	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-10	1.763146	410.3747	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-11	1.765411	411.378	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-12	1.767476	412.3813	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-13	1.761833	413.3846	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-14	1.755731	414.3877	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-15	1.765686	415.391	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-16	1.758419	416.3942	400.3408	11953816	C02990	NA
Palmitoyl-L-carnitine C13-label-17	NA	NA	400.3408	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-18	NA	NA	400.3408	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-19	NA	NA	400.3408	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-20	NA	NA	400.3408	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-21	NA	NA	400.3408	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-22	NA	NA	400.3408	11953816	C02990	NA	Peak was not detected
Palmitoyl-L-carnitine C13-label-23	NA	NA	400.3408	11953816	C02990	NA	Peak was not detected
O-Acetyl-L-carnitine C12 PARENT	6.393051	204.1225	204.1225	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-1	6.412345	205.1259	204.1225	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-2	6.397357	206.1292	204.1225	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-3	6.405189	207.1323	204.1225	7045767	C02571	NA
O-Acetyl-L-carnitine C13-label-4	NA	NA	204.1225	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-5	NA	NA	204.1225	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-6	NA	NA	204.1225	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-7	NA	NA	204.1225	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-8	NA	NA	204.1225	7045767	C02571	NA	Peak was not detected
O-Acetyl-L-carnitine C13-label-9	6.301733	213.1534	204.1225	7045767	C02571	NA
Myristoyl-L-carnitine C12 PARENT	1.811726	372.3094	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-1	1.809901	373.313	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-2	1.815371	374.3163	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-3	1.817099	375.3198	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-4	1.81022	376.323	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-5	1.804236	377.3263	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-6	1.811943	378.3298	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-7	1.813678	379.3334	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-8	1.813268	380.3362	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-9	1.791032	381.3398	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-10	1.806934	382.3431	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-11	1.820255	383.3463	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-12	1.807635	384.3498	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-13	1.803447	385.3538	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-14	1.806903	386.3566	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-15	1.810928	387.3602	372.3094	53477791	NA	NA
Myristoyl-L-carnitine C13-label-16	NA	NA	372.3094	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-17	NA	NA	372.3094	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-18	NA	NA	372.3094	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-19	NA	NA	372.3094	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-20	NA	NA	372.3094	53477791	NA	NA	Peak was not detected
Myristoyl-L-carnitine C13-label-21	NA	NA	372.3094	53477791	NA	NA	Peak was not detected
Lauroyl-L-carnitine C12 PARENT	1.884432	344.2785	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-1	1.83434	345.282	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-2	1.840683	346.285	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-3	1.841108	347.2887	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-4	1.8361	348.2919	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-5	1.826161	349.2952	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-6	1.832167	350.2987	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-7	1.816793	351.3021	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-8	1.829867	352.3054	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-9	1.831	353.3086	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-10	1.834227	354.3121	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-11	1.8278	355.3151	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-12	1.821263	356.3184	344.2785	168381	NA	NA
Lauroyl-L-carnitine C13-label-13	NA	NA	344.2785	168381	NA	NA	Peak was not detected
Lauroyl-L-carnitine C13-label-14	NA	NA	344.2785	168381	NA	NA	Peak was not detected
Lauroyl-L-carnitine C13-label-15	NA	NA	344.2785	168381	NA	NA	Peak was not detected
Lauroyl-L-carnitine C13-label-16	NA	NA	344.2785	168381	NA	NA	Peak was not detected
Lauroyl-L-carnitine C13-label-17	NA	NA	344.2785	168381	NA	NA	Peak was not detected
Lauroyl-L-carnitine C13-label-18	NA	NA	344.2785	168381	NA	NA	Peak was not detected
Lauroyl-L-carnitine C13-label-19	NA	NA	344.2785	168381	NA	NA	Peak was not detected
L-Carnitine C12 PARENT	7.915056	162.1121	162.112	10917	C00318	42914
L-Carnitine C13-label-1	7.92379	163.1153	162.112	10917	C00318	42914
L-Carnitine C13-label-2	7.916366	164.1194	162.112	10917	C00318	42914
L-Carnitine C13-label-3	NA	NA	162.112	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-4	8.032184	166.1261	162.112	10917	C00318	42914
L-Carnitine C13-label-5	NA	NA	162.112	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-6	NA	NA	162.112	10917	C00318	42914	Peak was not detected
L-Carnitine C13-label-7	NA	NA	162.112	10917	C00318	42914	Peak was not detected
Eicosenoyl-L-carnitine C12 PARENT	1.749019	454.3875	454.3875	NA	NA	NA
Eicosenoyl-L-carnitine C13-label-1	1.77865	455.3913	454.3875	NA	NA	NA
Eicosenoyl-L-carnitine C13-label-2	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-3	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-4	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-5	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-6	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-7	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-8	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-9	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-10	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-11	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-12	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-13	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-14	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-15	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-16	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-17	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-18	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-19	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-20	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-21	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-22	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-23	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-24	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-25	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-26	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Eicosenoyl-L-carnitine C13-label-27	NA	NA	454.3875	NA	NA	NA	Peak was not detected
Oleoyl-L-carnitine C12 PARENT	1.736517	426.3562	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-1	1.726229	427.3597	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-2	1.758522	428.3626	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-3	1.761481	429.3678	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-4	1.734117	430.3702	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-5	1.7782	431.3729	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-6	1.720544	432.3769	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-7	1.730317	433.3792	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-8	1.736553	434.3834	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-9	1.721042	435.3862	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-10	1.723754	436.3901	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-11	1.729056	437.3936	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-12	1.700756	438.3964	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-13	1.73135	439.4	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-14	1.751179	440.4035	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-15	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-16	1.7181	442.4104	426.3562	46907933	NA	NA
Oleoyl-L-carnitine C13-label-17	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-18	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-19	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-20	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-21	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-22	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-23	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-24	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Oleoyl-L-carnitine C13-label-25	NA	NA	426.3562	46907933	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C12 PARENT	1.782605	398.3251	398.3251	156908005	NA	NA
Palmitoleoyl-L-carnitine C13-label-1	1.779449	399.3284	398.3251	156908005	NA	NA
Palmitoleoyl-L-carnitine C13-label-2	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-3	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-4	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-5	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-6	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-7	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-8	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-9	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-10	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-11	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-12	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-13	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-14	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-15	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-16	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-17	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-18	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-19	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-20	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-21	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-22	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Palmitoleoyl-L-carnitine C13-label-23	NA	NA	398.3251	156908005	NA	NA	Peak was not detected
Fasnall C12 PARENT	1.772895	339.1625	339.1625	16230362	NA	NA
Fasnall C13-label-1	1.780164	340.166	339.1625	16230362	NA	NA
Fasnall C13-label-2	1.80165	341.1695	339.1625	16230362	NA	NA
Fasnall C13-label-3	1.748772	342.1727	339.1625	16230362	NA	NA
Fasnall C13-label-4	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-5	1.86071	344.1806	339.1625	16230362	NA	NA
Fasnall C13-label-6	1.566911	345.1837	339.1625	16230362	NA	NA
Fasnall C13-label-7	1.572592	346.187	339.1625	16230362	NA	NA
Fasnall C13-label-8	1.649542	347.1889	339.1625	16230362	NA	NA
Fasnall C13-label-9	1.626264	348.1943	339.1625	16230362	NA	NA
Fasnall C13-label-10	1.70838	349.1985	339.1625	16230362	NA	NA
Fasnall C13-label-11	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-12	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-13	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-14	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-15	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-16	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-17	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-18	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
Fasnall C13-label-19	NA	NA	339.1625	16230362	NA	NA	Peak was not detected
GSK2194069 C12 PARENT	1.975221	429.1905	429.1906	67376285	NA	NA
GSK2194069 C13-label-1	1.702681	430.1938	429.1906	67376285	NA	NA
GSK2194069 C13-label-2	1.706719	431.197	429.1906	67376285	NA	NA
GSK2194069 C13-label-3	1.709722	432.2004	429.1906	67376285	NA	NA
GSK2194069 C13-label-4	1.742883	433.2047	429.1906	67376285	NA	NA
GSK2194069 C13-label-5	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-6	1.756383	435.2127	429.1906	67376285	NA	NA
GSK2194069 C13-label-7	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-8	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-9	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-10	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-11	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-12	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-13	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-14	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-15	1.815267	444.2424	429.1906	67376285	NA	NA
GSK2194069 C13-label-16	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-17	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-18	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-19	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-20	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-21	1.817595	450.2611	429.1906	67376285	NA	NA
GSK2194069 C13-label-22	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-23	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-24	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
GSK2194069 C13-label-25	NA	NA	429.1906	67376285	NA	NA	Peak was not detected
METABOLITES_END
#END