#METABOLOMICS WORKBENCH dmukha_20231211_081057 DATATRACK_ID:4499 STUDY_ID:ST003123 ANALYSIS_ID:AN005117 PROJECT_ID:PR001941
VERSION             	1
CREATED_ON             	March 13, 2024, 2:59 pm
#PROJECT
PR:PROJECT_TITLE                 	The shutdown of NADH oxidation via Respiratory Complex I mimics fatty acid
PR:PROJECT_TITLE                 	biosynthesis inhibition
PR:PROJECT_TYPE                  	LC-MS Quantitative Analysis
PR:PROJECT_SUMMARY               	Proliferating cancer cells actively utilize anabolic processes for biomass
PR:PROJECT_SUMMARY               	production, including de novo biosynthesis of amino acids, nucleotides, and
PR:PROJECT_SUMMARY               	fatty acids. The key enzyme of the fatty acid biosynthesis pathway, fatty acid
PR:PROJECT_SUMMARY               	synthase (FASN), is widely recognized as a promising therapeutic target in
PR:PROJECT_SUMMARY               	cancer and other health conditions. Here, we establish a metabolic signature of
PR:PROJECT_SUMMARY               	FASN inhibition using a panel of pharmacological inhibitors (GSK2194069,
PR:PROJECT_SUMMARY               	TVB-2640, TVB-3166, C75, cerulenin, and Fasnall). We find that the activity of
PR:PROJECT_SUMMARY               	some commonly used FASN inhibitors is inconsistent with the metabolic signature
PR:PROJECT_SUMMARY               	of FASN inhibition (accumulation of malonate, succinate, malonyl coenzyme A,
PR:PROJECT_SUMMARY               	succinyl coenzyme A, and other metabolic perturbations). Moreover, we show that
PR:PROJECT_SUMMARY               	one of these putative FASN inhibitors, Fasnall, is a respiratory Complex I
PR:PROJECT_SUMMARY               	inhibitor that mimics FASN inhibition through NADH accumulation and consequent
PR:PROJECT_SUMMARY               	depletion of the tricarboxylic acid cycle metabolites. We demonstrate that
PR:PROJECT_SUMMARY               	Fasnall impairs tumor growth in several oxidative phosphorylation-dependent
PR:PROJECT_SUMMARY               	cancer models, including combination therapy-resistant melanoma patient-derived
PR:PROJECT_SUMMARY               	xenografts. Fasnall administration does not reproduce neurological side effects
PR:PROJECT_SUMMARY               	in mice reported for other Complex I inhibitors. Our results have significant
PR:PROJECT_SUMMARY               	implications for understanding the FASN role in human health and disease and
PR:PROJECT_SUMMARY               	provide evidence of therapeutic potential for Complex I inhibitors with fast
PR:PROJECT_SUMMARY               	systemic clearance. Our findings also highlight the continuing need for
PR:PROJECT_SUMMARY               	validation of small molecule inhibitors to distinguish high-quality chemical
PR:PROJECT_SUMMARY               	probes and to expand the understanding of their application.
PR:INSTITUTE                     	Wistar Institute
PR:DEPARTMENT                    	Molecular and Cellular Oncogenesis Program, Ellen and Ronald Caplan Cancer
PR:DEPARTMENT                    	Center
PR:LABORATORY                    	Schug's Lab
PR:LAST_NAME                     	Mukha
PR:FIRST_NAME                    	Dzmitry
PR:ADDRESS                       	3601 Spruce St., Philadelphia, Pennsylvania 19104, USA
PR:EMAIL                         	dmukha@wistar.org
PR:PHONE                         	+12154956903
PR:FUNDING_SOURCE                	This work was supported by grants from the National Institutes of Health (NIH)
PR:FUNDING_SOURCE                	National Cancer Institute (NCI) DP2 CA249950-01 (Z.T.S.), NIH NCI P01 CA114046
PR:FUNDING_SOURCE                	(Z.T.S.), Melanoma Research Foundation 717173 (Z.T.S.), and Susan G. Komen
PR:FUNDING_SOURCE                	CCR19608782 (Z.T.S.).
PR:PUBLICATIONS                  	Submission Pending
PR:CONTRIBUTORS                  	Dzmitry Mukha, Jena Dessain, Seamus O’Connor, Katherine Pniewski, Fabrizio
PR:CONTRIBUTORS                  	Bertolazzi, Jeet Patel, Mary Mullins, Zachary T. Schug
#STUDY
ST:STUDY_TITLE                   	OMM1.3 uveal melanoma cells fed with [U-13C6] glucose and treated with Fasnall
ST:STUDY_TITLE                   	for 4 h
ST:STUDY_TYPE                    	Intracellular metabolomics, [U-13C6] glucose tracing
ST:STUDY_SUMMARY                 	OMM1.3 uveal melanoma cells fed with [U-13C6] glucose and treated with Fasnall
ST:STUDY_SUMMARY                 	for 4 h. Cells were grown in RPMI-1640 with 10% dialyzed FBS.
ST:INSTITUTE                     	Wistar Institute
ST:DEPARTMENT                    	Molecular and Cellular Oncogenesis Program, Ellen and Ronald Caplan Cancer
ST:DEPARTMENT                    	Center
ST:LABORATORY                    	Schug's Lab
ST:LAST_NAME                     	Mukha
ST:FIRST_NAME                    	Dzmitry
ST:ADDRESS                       	3601 Spruce St, Philadelphia, PA 19104, USA
ST:EMAIL                         	dmukha@wistar.org
ST:PHONE                         	2154956903
ST:NUM_GROUPS                    	7
ST:TOTAL_SUBJECTS                	21
ST:PUBLICATIONS                  	TBD
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:GENOTYPE_STRAIN               	626A>C mutation in GNAQ resulting in Q209P (PMC3288394)
SU:AGE_OR_AGE_RANGE              	NA
SU:WEIGHT_OR_WEIGHT_RANGE        	NA
SU:HEIGHT_OR_HEIGHT_RANGE        	NA
SU:CELL_BIOSOURCE_OR_SUPPLIER    	Dr. Andrew Aplin's lab, Thomas Jefferson University (Philadelphia, PA, USA)
SU:CELL_STRAIN_DETAILS           	OMM1.3, uveal melanoma, derived from a metastatic lesion
SU:SUBJECT_COMMENTS              	The cell line is also known as OMM2.3
SU:CELL_PRIMARY_IMMORTALIZED     	No
SU:CELL_PASSAGE_NUMBER           	NA
#FACTORS
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Blank-80MeOH_20211218154318	Sample source:OMM1.3 intracellular metabolites | Type of glucose:NA | Fasnall Concentration:NA	RAW_FILE_NAME(Raw File Name)=Blank-80MeOH_20211218154318.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_Blank-80MeOH_20211218154318.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_Blank-80MeOH_20211218154318.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Blank-80MeOH_20211219013554	Sample source:OMM1.3 intracellular metabolites | Type of glucose:NA | Fasnall Concentration:NA	RAW_FILE_NAME(Raw File Name)=Blank-80MeOH_20211219013554.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_Blank-80MeOH_20211219013554.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_Blank-80MeOH_20211219013554.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_01	Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_01.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_01.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_01.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_02	Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_02.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_02.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_02.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_03	Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_03.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_03.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_03.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_04	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_04.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_04.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_04.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_05	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_05.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_05.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_05.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_06	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_06.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_06.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_06.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_07	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_07.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_07.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_07.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_08	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_08.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_08.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_08.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_09	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_09.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_09.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_09.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_10	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_10.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_10.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_10.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_11	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_11.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_11.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_11.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_12	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_12.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_12.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_12.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_13	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_13.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_13.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_13.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_14	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_14.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_14.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_14.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_15	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_15.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_15.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_15.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_16	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_16.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_16.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_16.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_17	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_17.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_17.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_17.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_18	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_18.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_18.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_18.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_19	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_19.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_19.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_19.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_20	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_20.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_20.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_20.mzXML
SUBJECT_SAMPLE_FACTORS           	-	m21-L327_SO_21	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM	RAW_FILE_NAME(Raw File Name)=m21-L327_SO_21.raw; RAW_FILE_NAME(mzXML File Names (Negative Scans))=NEG_m21-L327_SO_21.mzXML; RAW_FILE_NAME(mzXML File Names (Positive Scans))=POS_m21-L327_SO_21.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	One PBS washing, 80% methanol extraction.
CO:COLLECTION_PROTOCOL_FILENAME  	DM_metabolomics_samples.txt
CO:SAMPLE_TYPE                   	Cultured cells
CO:COLLECTION_METHOD             	80% methanol extraction
CO:VOLUMEORAMOUNT_COLLECTED      	500 ul
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	1.7 ml plastic centrifuge tubes
CO:STORAGE_VIALS                 	1.7 ml plastic centrifuge tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	Cells were grown in RPMI-1640 supplemented with [U-13C6] glucose and treated
TR:TREATMENT_SUMMARY             	with various Fasnall concentrations.
TR:TREATMENT_COMPOUND            	Fasnall
TR:TREATMENT_DOSE                	50 nM - 5 uM
TR:TREATMENT_DOSEDURATION        	4 h
TR:TREATMENT_VEHICLE             	DMSO
TR:CELL_GROWTH_CONTAINER         	6-well plates
TR:CELL_MEDIA                    	RPMI-1640
TR:CELL_ENVIR_COND               	37C, 5% CO2
TR:CELL_PCT_CONFLUENCE           	~70%
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Metabolites were extracted with ice-cold 80% methanol.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	DM_metabolomics_samples.txt
SP:EXTRACTION_METHOD             	80% methanol
SP:EXTRACT_ENRICHMENT            	None
SP:EXTRACT_CLEANUP               	None
SP:EXTRACT_STORAGE               	-80℃
SP:SAMPLE_RESUSPENSION           	None
SP:SAMPLE_DERIVATIZATION         	None
SP:SAMPLE_SPIKING                	None
SP:SUBCELLULAR_LOCATION          	Intracellular metabolites
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000 RS
CH:COLUMN_NAME                   	Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um)
CH:SOLVENT_A                     	100% water; 0.01% ammonium hydroxide; 20 mM ammonium bicarbonate
CH:SOLVENT_B                     	100% acetonitrile
CH:FLOW_GRADIENT                 	0~12.5 min, 80~30% B; 12.5~15 min, 30% B; 15~15.2 min, 30~80% B; 15.2~22.5 min,
CH:FLOW_GRADIENT                 	80% B
CH:FLOW_RATE                     	0~20 min, 0.2 ml/min; 20~21 min 0.2~0.3 ml/min; 21~22 min, 0.3 ml/min; 22~22.1
CH:FLOW_RATE                     	min, 0.2 ml/min; 22.1~22.5 min, 0.2 ml/min
CH:COLUMN_TEMPERATURE            	40
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Wistar Institute Proteomics & Metabolomic Core
AN:OPERATOR_NAME                 	Nicole Gorman
AN:DETECTOR_TYPE                 	Orbitrap
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF-X Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
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	m21-L327_SO_01	m21-L327_SO_02	m21-L327_SO_03	m21-L327_SO_04	m21-L327_SO_05	m21-L327_SO_06	m21-L327_SO_07	m21-L327_SO_08	m21-L327_SO_09	m21-L327_SO_10	m21-L327_SO_11	m21-L327_SO_12	m21-L327_SO_13	m21-L327_SO_14	m21-L327_SO_15	m21-L327_SO_16	m21-L327_SO_17	m21-L327_SO_18	m21-L327_SO_19	m21-L327_SO_20	m21-L327_SO_21
Factors	Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:unlabeled | Fasnall Concentration:0 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:0 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:50 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:100 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:500 nM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:1 uM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM	Sample source:OMM1.3 intracellular metabolites | Type of glucose:U-13C6 | Fasnall Concentration:5 uM
alpha-Ketoglutaric acid C12 PARENT	8175126	8636242	8124742	4919464	5658140	5545010	5747590	5427632	5390000	4970050	4903425	4733574	4918176	4772510	4543276	3180602	3976837	4225036	2071376	2510156	2364789
alpha-Ketoglutaric acid C13-label-1	455922.1	481866.6	461979.8	410574.8	457296.1	455306.5	471274.5	439242	442414.8	397757.4	383650.5	390031.2	335260	336284.2	335365.2	178944.3	236763.4	253746.4	109605.6	140427	139361.4
alpha-Ketoglutaric acid C13-label-2	0	0	0	1958968	2225999	2416970	2454584	2042319	2140153	1829353	1838880	1793852	882771.8	919557	943915.2	149178.9	178601.5	258712.9	35781.59	35391.53	35274.11
alpha-Ketoglutaric acid C13-label-3	0	0	0	383299.7	406177.2	495041.2	424854.5	348632.4	398290.9	289609.7	285327.6	313034.7	117416.4	120354.2	128523.2	31840.72	37891.49	56728.61	3595.416	10126.19	9859.084
alpha-Ketoglutaric acid C13-label-4	3466.833	0	0	351197.4	364275.7	477922.2	368054.4	308713.8	402615	271414.5	251914.5	259113.8	76331.76	92899.69	92125.41	0	3998	9916.172	0	0	0
alpha-Ketoglutaric acid C13-label-5	13590.79	0	10588.81	152427.3	166357	207238.9	147027.2	147013.9	168806.3	120772.5	118183.3	123983.2	71279.3	58476.75	61165.11	0	30437.33	21926.7	22561.64	0	19681.55
Succinate C12 PARENT	1884026	1770906	1832230	1156507	1124543	1164525	1043152	1076889	1117447	987589.5	996345.1	918027	779046.9	767395.7	731881.6	492940.2	622644.8	617912.2	370353.5	417072.5	399346
Succinate C13-label-1	74112.59	84835.34	69262.52	86730.66	79363.43	86636.45	88900.21	80075.93	73241.85	59324.39	75349.21	59138.79	42046.81	37833.17	47019.27	24992.55	28218.54	31810.2	14364.7	19594.84	13560.16
Succinate C13-label-2	9808.405	4668.823	7575.889	306195.2	292939.9	364828.6	270821.4	305246.6	299390	224800	221925.9	221464.3	77377.59	83748.73	94134.41	10762.69	11465.9	29870.19	0	0	0
Succinate C13-label-3	0	0	0	98527.16	80258.28	112939.1	88241.62	75483.1	83357.01	56997.59	57897.89	61167.49	5586.854	6332.324	9072.709	0	0	0	0	0	0
Succinate C13-label-4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Pyruvate C12 PARENT	4020029	3081752	2862683	571342.3	529385.8	504278.9	502221	500802.8	480409.3	439867.7	579218.4	489413.5	390957.9	407473.2	354260.7	334055.2	370856.8	347747.2	260809.9	299645.7	286279
Pyruvate C13-label-1	134227.1	96791.5	95586.02	39509.25	37102.64	45645.3	37431.59	38053.2	31477.03	25772.3	40632.9	29980.75	20213.8	0	12592.66	18757.75	13564.65	9698.04	13960.45	12867.73	13304.13
Pyruvate C13-label-2	0	0	0	89351.52	47285.07	52937.72	68285.12	70430.37	78666.6	35113.98	82907.79	25174.23	5931.348	0	0	0	13845.79	7305.895	0	0	0
Pyruvate C13-label-3	0	0	0	2998302	2715807	2434386	2093223	2224256	2054966	1878825	2596927	2356760	1332760	1462330	1083964	1115870	1486361	1489035	783317.3	909067.2	769757.2
Palmitic acid C12 PARENT	1.254328e+008	1.31918e+008	1.601725e+008	1.236120e+008	1.231557e+008	1.203335e+008	1.217792e+008	1.212966e+008	1.235192e+008	1.18501e+008	1.309008e+008	1.233097e+008	1.231177e+008	1.315753e+008	1.175574e+008	1.237378e+008	1.309906e+008	1.395991e+008	1.342092e+008	1.223004e+008	1.272368e+008
Palmitic acid C13-label-1	2.200976e+007	2.340425e+007	2.842521e+007	2.190994e+007	2.162616e+007	2.120679e+007	2.172839e+007	2.146911e+007	2.177919e+007	2.084824e+007	2.3072e+007	2.313855e+007	2.164798e+007	2.321087e+007	2.076348e+007	2.185537e+007	2.30454e+007	2.477842e+007	2.378262e+007	2.145956e+007	2.245546e+007
Palmitic acid C13-label-2	2034258	2055147	2638256	2029947	2054719	2049364	2094188	1960882	2070982	1962710	2170988	2073042	1950716	2173104	1879296	1982742	2204844	2352783	2129680	1886503	2037194
Palmitic acid C13-label-3	81986.24	36743.76	100300.6	114231.9	98411.73	110316.2	62171.12	150416.2	99494.5	46616.52	58339.3	105472.2	135845.3	56839.05	21307.91	43075.64	51945.25	116031.7	100148.3	58383.18	55734.09
Palmitic acid C13-label-4	0	0	0	54580.92	33414.89	52755.91	48825.23	37526.97	31688.47	33875.3	0	52858.33	64084.64	75946.2	55462.24	59805.23	31944.9	25238.02	9070.165	0	10955.89
Palmitic acid C13-label-5	0	0	0	16218.77	28928.53	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Palmitic acid C13-label-6	0	0	0	96400.09	81273.38	78434.12	119045.4	74732.07	68250.63	77747.88	69224.9	73263.88	85290.18	71536.38	78813.51	30160.36	37917.88	58881.55	13348.07	36953.16	13296.85
Palmitic acid C13-label-7	0	0	0	13118.06	0	0	15760.34	0	16268.57	14788.74	0	0	0	0	13440.77	0	0	0	0	0	0
Palmitic acid C13-label-8	0	0	0	140984.1	102663.8	124578.4	88261.79	110843.7	68955.7	69087.37	122414.9	73437.49	73044.1	95074.02	53756.3	14886.93	18371.39	25866.93	0	15368.01	0
Palmitic acid C13-label-9	0	0	0	41073.23	17356.92	19427.71	17790.43	14567.76	19837.16	15482.45	22303.27	37775.68	13294.6	0	0	0	0	0	0	0	0
Palmitic acid C13-label-10	0	0	0	154461.1	154721.7	178163.8	152764.4	128828.5	126672.4	133722	148101.8	147783.9	79570.38	77279.41	74417.97	0	12203.38	32726.16	0	0	0
Palmitic acid C13-label-11	0	0	0	47173.89	16498.38	15117.95	17807.9	11751.55	11967.39	13345.73	16415.37	11051.47	0	0	0	0	0	0	0	0	0
Palmitic acid C13-label-12	0	0	0	208733.5	200546.8	153820.8	146955.9	125672.3	130524.7	127491.3	144323.7	113037.1	60693.14	83664.97	50917.51	16638.13	0	0	0	0	0
Palmitic acid C13-label-13	0	0	0	29845.22	12660.6	29135.04	0	14382.39	15746.99	14986.3	0	0	0	0	0	0	0	0	0	0	0
Palmitic acid C13-label-14	0	0	0	155412.6	121147.7	129313.1	99314.62	85943.71	91060.95	56832.7	78877.03	81839.9	28700.65	35410.77	22888.02	0	0	0	0	0	0
Palmitic acid C13-label-15	0	0	0	10756.27	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Palmitic acid C13-label-16	0	0	0	15930.68	21667.61	24488.02	11253.54	14749.61	13508.64	0	0	0	0	0	0	0	0	0	0	0	0
Myristic acid C12 PARENT	4172424	4196914	4356466	3994334	3724167	3878294	3674423	3816774	3938185	4171262	4632236	5424476	3756581	3560981	3503799	3609719	4211892	3848258	3969537	4308702	3544493
Myristic acid C13-label-1	624835.2	613324.3	655088.5	619791.8	571623.9	583848.9	552315.1	584013.3	558905.4	644487.1	743602.4	792446.7	533344.2	553317.8	493170.4	569704.6	604621	626015.6	567992.8	622482.4	551390.5
Myristic acid C13-label-2	46768.39	56139.07	19313.26	74866.29	68595.76	74728.59	50779.77	69728.68	72899.09	69823.7	66684.53	77803.32	74482.02	94591.5	64771.55	75673.59	97285.7	71286.31	50695.99	62910.07	32741.75
Myristic acid C13-label-3	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristic acid C13-label-4	0	0	0	17211.8	0	16077.41	17158.38	42135	0	18927.22	17988.23	20163.85	20471.48	65160.43	30702.52	13889.95	48157.17	33037.31	0	0	0
Myristic acid C13-label-5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristic acid C13-label-6	0	0	0	39774.22	47566.5	23931.03	53966.32	37464.14	14618.34	37755.64	37544.79	36976.55	46627.08	41009.68	34034.06	15829.86	31235.1	28211.85	0	33409.23	0
Myristic acid C13-label-7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristic acid C13-label-8	0	0	0	80441.06	52627.97	69642.04	53564.29	59998.59	40812.49	50887	66831.12	42432.75	19482.9	34205.55	42815.22	0	15062.7	14904.07	0	0	0
Myristic acid C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristic acid C13-label-10	0	0	0	85242.4	76763.34	68771.29	26467.21	43452.66	63863.8	61978.62	71553.59	61592.91	25832.49	21888.45	32156.74	0	0	0	0	0	0
Myristic acid C13-label-11	0	0	0	13601.89	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristic acid C13-label-12	0	0	0	35684.9	0	0	0	0	0	0	16883.47	15827.43	0	0	0	0	0	0	0	0	0
Myristic acid C13-label-13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Myristic acid C13-label-14	0	0	0	11041.18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Malate C12 PARENT	7.322499e+007	8.192646e+007	8.618455e+007	6.417272e+007	6.58885e+007	6.683329e+007	6.506372e+007	6.987252e+007	6.092955e+007	5.396685e+007	6.121514e+007	5.450674e+007	5.369094e+007	6.14961e+007	5.701658e+007	4.918888e+007	5.335590e+007	5.313254e+007	3.624666e+007	4.620005e+007	3.824829e+007
Malate C13-label-1	3382830	3645384	3916909	4894320	4941334	5294580	5223176	5084844	4687940	3883956	4446150	4011103	3432479	3938887	3671792	2542231	2643351	2825278	1717231	2135410	1809867
Malate C13-label-2	15842.67	11561.03	17658.64	1.490070e+007	1.456424e+007	1.665139e+007	1.520416e+007	1.461605e+007	1.41295e+007	1.153597e+007	1.234186e+007	1.148588e+007	5646054	6857932	6774672	1458868	1586262	2123368	439454.9	582556.2	580912.9
Malate C13-label-3	0	0	0	7528726	7391626	8832060	7318724	7249850	7340034	5808684	6236146	6171712	4383260	5073060	5111763	4494264	4798552	5278822	4847164	5902956	4994796
Malate C13-label-4	0	0	0	1277163	1132148	1665276	1249182	1109422	1298456	883618.5	822540.7	987392.2	421612.2	455494.2	537868.4	117840.6	144728.2	209293	77003.88	84677.27	62083.03
Lactate C12 PARENT	4.029105e+007	3.60135e+007	3.125023e+007	8451997	6107126	6393758	6474800	5945980	6503906	6149422	9688891	7460580	5958338	7200448	5607298	6214646	6798624	6426872	6384696	6652170	6186772
Lactate C13-label-1	1452033	1275566	1074162	359862.8	242431.3	265073.1	271367.5	242538.7	268548.9	247585.8	371749.4	299627.8	232227.9	285462.9	210681	253907.9	253630.7	259697.7	255912.7	255107.5	228205.2
Lactate C13-label-2	0	0	0	436650.1	432928.3	366348.6	0	659755.7	0	0	802720.2	408162.5	342730.2	349301.7	0	495959.1	1076381	617475.1	300775.3	1311589	341520.7
Lactate C13-label-3	0	0	0	3.791230e+007	3.393432e+007	2.947184e+007	2.46889e+007	2.806335e+007	2.703357e+007	2.527044e+007	3.327921e+007	3.250918e+007	2.848817e+007	2.957667e+007	2.514254e+007	3.947383e+007	4.382160e+007	4.540012e+007	2.981435e+007	3.654868e+007	3.120894e+007
Glutamine C12 PARENT	9.839555e+007	6.862602e+007	8.977602e+007	8.050044e+007	5.497773e+007	1.006069e+008	6.801998e+007	8.169809e+007	6.440984e+007	1.096695e+008	8.696846e+007	9.157746e+007	8.326746e+007	9.037426e+007	6.416582e+007	1.121451e+008	1.123235e+008	1.142983e+008	1.214156e+008	1.214938e+008	1.333319e+008
Glutamine C13-label-1	5582134	3957763	4937368	4615756	3103500	5775540	3844374	4572102	3654709	6280500	5007382	5214190	4632672	5206448	3678011	6369400	6263290	6478508	6926718	7136896	7563910
Glutamine C13-label-2	0	0	0	213046	159459.8	251837.1	221270.4	213703.2	188766	243539.4	208540.6	158025.2	0	0	11829.8	0	0	0	0	0	0
Glutamine C13-label-3	0	0	0	33177.21	22290.27	61797.22	19535.04	23609.21	21493.23	27505.44	20266.6	28927.56	0	0	6907.697	0	0	0	0	0	0
Glutamine C13-label-4	0	0	0	48252.21	10790.5	68497.09	15707.84	37237.02	38752.57	49490.86	45664.34	40733.79	0	0	0	0	0	0	0	0	0
Glutamine C13-label-5	0	0	0	10452.65	0	26425.32	0	0	8084.734	0	0	0	0	0	0	0	0	0	0	0	0
Glutamate C12 PARENT	3.621377e+008	3.646368e+008	3.486492e+008	2.882598e+008	3.044009e+008	2.607619e+008	2.902544e+008	2.817388e+008	2.880374e+008	2.534394e+008	2.999467e+008	2.806987e+008	3.500064e+008	3.374693e+008	3.250689e+008	3.875991e+008	4.141754e+008	4.196244e+008	4.292763e+008	4.785899e+008	4.408515e+008
Glutamate C13-label-1	2.159457e+007	2.209465e+007	2.017757e+007	2.227332e+007	2.316267e+007	2.080324e+007	2.240536e+007	2.143926e+007	2.192379e+007	2.035134e+007	2.248587e+007	2.150308e+007	2.507339e+007	2.383556e+007	2.284008e+007	2.442742e+007	2.673182e+007	2.734150e+007	2.485252e+007	2.845556e+007	2.611118e+007
Glutamate C13-label-2	0	0	0	8.7109e+007	8.7756e+007	9.051376e+007	8.818854e+007	8.606145e+007	8.479666e+007	8.135894e+007	8.342329e+007	8.062976e+007	1.662143e+007	5.628373e+007	3.646031e+007	9508167	9837863	1.106236e+007	5388402	6383012	6549610
Glutamate C13-label-3	0	0	0	1.547198e+007	1.492398e+007	1.764751e+007	1.565816e+007	1.41533e+007	1.546974e+007	1.345751e+007	1.30621e+007	1.360484e+007	7035434	7100272	7554308	3574773	3582865	4312302	2366531	2619375	2573894
Glutamate C13-label-4	0	0	0	1.568039e+007	1.517380e+007	1.861241e+007	1.546074e+007	1.419560e+007	1.596246e+007	1.32268e+007	1.237338e+007	1.374629e+007	6000686	5946214	6555398	1034523	1072323	2000010	85521.32	134292.7	289105.8
Glutamate C13-label-5	0	0	0	5448666	5288102	6647422	5147022	4754860	5817318	4545896	4313298	4776468	2505605	2389931	2739867	656361.6	648193.2	1062181	122964.9	135624.8	161095.3
Aspartic acid C12 PARENT	2.069935e+008	2.073494e+008	2.106489e+008	1.454615e+008	1.558855e+008	1.48074e+008	1.532442e+008	1.531962e+008	1.435742e+008	1.342240e+008	1.461511e+008	1.372441e+008	1.294641e+008	1.285815e+008	1.143748e+008	1.131387e+008	1.149488e+008	1.154351e+008	1.005369e+008	1.119480e+008	9.98967e+007
Aspartic acid C13-label-1	9832403	9877746	9905149	1.089758e+007	1.13849e+007	1.153358e+007	1.172120e+007	1.11233e+007	1.073984e+007	1.000173e+007	1.038452e+007	1.004892e+007	8091738	7933944	7441188	5916908	6095796	6261546	4918772	5472006	4804889
Aspartic acid C13-label-2	0	0	0	3.181199e+007	3.259393e+007	3.44781e+007	3.364384e+007	3.048294e+007	3.078610e+007	2.830799e+007	2.814158e+007	2.761708e+007	1.271780e+007	1.260594e+007	1.257736e+007	3200567	3335764	4319156	1229198	1398476	1399975
Aspartic acid C13-label-3	0	0	0	1.398367e+007	1.450983e+007	1.607674e+007	1.51317e+007	1.361476e+007	1.44417e+007	1.305043e+007	1.285706e+007	1.331313e+007	8915494	9042841	8951547	9512545	9333212	1.030542e+007	1.205816e+007	1.408513e+007	1.214648e+007
Aspartic acid C13-label-4	0	0	0	2428339	2132188	2936799	2318650	2056984	2369348	1916552	1780160	2026428	769882.8	764236.4	853136.2	228672.7	253621.1	366412.8	199201.2	207359.6	195106.2
Citrate C12 PARENT	2.264588e+007	2.839235e+007	2.439781e+007	6525034	7727976	7916036	7464990	9025999	7440274	7821634	7999280	7543390	9745565	9024855	1.043754e+007	9484928	1.019543e+007	1.014527e+007	3854777	4923386	4620901
Citrate C13-label-1	1500684	2027176	1674660	982897.5	1093344	1166708	1129337	1240384	1117580	1103535	1109779	1103886	979368.6	940685.2	1127333	725160	796846.8	813267.7	281238.1	310406	328058.9
Citrate C13-label-2	0	0	0	1.108210e+007	1.301049e+007	1.350549e+007	1.262189e+007	1.432408e+007	1.200046e+007	1.227477e+007	1.204614e+007	1.121987e+007	6355998	6100690	7530230	1199708	1330862	1788070	158051	195287.2	199749
Citrate C13-label-3	0	0	0	1583761	1806519	2086424	1779228	1961594	1788704	1726104	1597744	1626040	876805.1	868643.2	1062374	561443.2	654440.2	691548.9	231481.5	299436	294648.7
Citrate C13-label-4	0	0	0	3143005	3568855	4119757	3583793	3746089	3413130	3166119	2923371	2869278	954921.6	934615.8	1262015	99639.21	108542.6	165388.2	9515.728	20713.88	14955.15
Citrate C13-label-5	0	0	0	1613909	1796417	2213864	1748036	1906540	1844748	1557317	1461528	1537064	612597.6	591935.2	768338.7	89443.27	109709.1	162098.6	15453.08	15742.26	18035.43
Citrate C13-label-6	0	0	0	303792.2	298506.9	425078.5	318396.2	322176.2	344700.8	261598	234756.8	266133.7	73811.91	71470.83	119510.8	0	0	4412.365	0	0	0
Acetyl-CoA C12 PARENT	949539.6	872401	850450	244830.7	256416.7	277692.3	296508.8	324535	319075.7	301218.1	302971.1	267636.3	384500.2	389996.8	384853.2	512918.5	559366.4	566700.8	610972.2	728473.2	713667.1
Acetyl-CoA C13-label-1	271033.2	260892.4	247858.6	84923.26	91190.32	92244.91	103856.8	107786.8	112090.4	104201.3	105059.9	96005.87	122381.6	128969.3	121761.7	167719.8	166342.2	192386.1	185483.7	227261.4	201535.8
Acetyl-CoA C13-label-2	104845.5	58652.93	31863	488203	513916.8	585076.3	558754.4	572884.4	592783.9	537311.2	541211.3	489448	411168.5	473603.9	480103.7	437509.6	408973.5	510810.6	507381.5	580847.8	641517.2
Acetyl-CoA C13-label-3	4311.167	5541.825	4817.779	139494.6	133643.9	159552.1	146442.2	155805.7	166732.5	138216.7	148378	141132.1	113472.3	115449.2	121332	109571.3	116464.4	137652.7	126396.7	149275.9	159387.3
Acetyl-CoA C13-label-4	0	0	0	15908.87	30604.78	43969.09	42653.19	57684.83	22367.57	18290.65	37526.11	32956.42	14157.69	17968.08	52417.88	13774.99	27426.93	57734.42	31135.03	18125.07	22850.85
Acetyl-CoA C13-label-5	0	0	0	55025.79	48215.92	58829.28	54417.81	51016.53	61815.79	51932.46	51548.56	52603.48	49920.2	51572.92	60145.92	69580.67	76126.52	77430.51	51582.15	63467.35	68423.57
Acetyl-CoA C13-label-6	0	0	0	17782.77	9584.197	21157.04	16844.78	14184.52	11951.73	5921.035	19155.57	19263.97	5261.255	10708.51	14551.83	18188.44	19265.06	20150.32	13124.63	12351.77	24986.16
Acetyl-CoA C13-label-7	0	0	0	70346.18	63229.36	81347.91	69706.96	72301.3	78269.97	62823.66	64749.24	61872.2	50087.56	52940.62	55458.11	45694.91	43199.91	59502.73	36463.56	44239.57	47516.97
Acetyl-CoA C13-label-8	0	0	0	11939.95	7911.963	18267.28	8448.663	17269.52	7603.566	11502.39	13969.74	5639.477	4920.731	10138.47	8463.46	4116.6	3917.523	4300.373	3978.733	4468.049	4455.792
Acetyl-CoA C13-label-9	0	0	0	0	0	0	0	3747.594	0	0	3237.482	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	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-11	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-12	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-21	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-22	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Acetyl-CoA C13-label-23	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
ATP C12 PARENT	1.21E+08	1.17E+08	1.12E+08	7.850605e+007	8.244103e+007	8.489393e+007	8.045082e+007	8.872822e+007	8.741344e+007	8.480738e+007	9.502486e+007	8.944414e+007	8.597810e+007	9.125652e+007	8.26975e+007	7.370866e+007	8.614382e+007	9.523881e+007	6.952857e+007	8.82734e+007	8.050068e+007
ATP C13-label-1	1.56E+07	1.53E+07	1.429046e+007	1.006464e+007	1.058099e+007	1.113364e+007	1.010306e+007	1.135195e+007	1.102469e+007	1.073922e+007	1.197416e+007	1.147827e+007	1.10059e+007	1.156461e+007	1.067940e+007	9415427	1.093604e+007	1.242873e+007	8884496	1.138431e+007	1.037735e+007
ATP C13-label-2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	741343	0	0	0	0
ATP C13-label-3	81640.37	0	74946.73	729967.8	727963.5	755539.1	682582.5	746867.2	799819.8	821882.7	803874.2	836705.1	750781.2	808707.3	731283.3	815165.5	900243.2	1022818	793040.7	1012393	1021324
ATP C13-label-4	12654.62	15041.54	17810.57	2087594	2127335	2403158	2189306	2278313	2417450	2334984	2446578	2436748	2036384	2116321	2033113	1843407	1999369	2321455	1595821	2026425	1956238
ATP C13-label-5	0	0	0	3.374373e+007	3.519349e+007	3.776456e+007	3.528337e+007	3.760539e+007	3.854323e+007	3.68236e+007	3.905767e+007	3.909630e+007	3.36136e+007	3.451048e+007	3.336888e+007	2.997969e+007	3.23125e+007	3.680098e+007	2.618072e+007	3.210746e+007	3.151719e+007
ATP C13-label-6	0	0	0	2883174	2802612	3177931	2874386	3076403	3141916	2879419	3079984	3214828	2594218	2615237	2622570	2303449	2395738	2836465	1952725	2454963	2329900
ATP C13-label-7	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	56596.43	0
ATP C13-label-8	0	0	0	0	10363.89	12829.67	0	0	7499.764	0	0	15029.07	24920.34	6446.691	21014.57	9163.351	0	0	23936.51	15459.67	0
ATP C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
ATP C13-label-10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
ADP C12 PARENT	1.477392e+007	1.611096e+007	1.670113e+007	1.255526e+007	1.287206e+007	1.173043e+007	1.468249e+007	1.267834e+007	1.171642e+007	1.389062e+007	1.385752e+007	1.279298e+007	1.717164e+007	1.804579e+007	1.652803e+007	1.812584e+007	2.126479e+007	2.093753e+007	2.441829e+007	2.679182e+007	2.587285e+007
ADP C13-label-1	1765546	1894888	1944468	1432459	1494112	1379345	1679911	1495558	1360875	1621354	1625506	1522879	2023500	2160672	2014710	2166340	2505541	2473292	2876783	3133671	3241593
ADP C13-label-2	0	0	51184.78	0	0	0	0	0	0	0	0	0	0	0	0	108442.8	0	0	0	0	0
ADP C13-label-3	0	69433.36	32242.3	140131.6	85397.71	126189.2	142086.6	133381.8	126372.9	127369.2	151138.1	140270.9	157951.5	175540.7	171160.1	209461.3	142929.1	204301.5	290298	323660.5	341163
ADP C13-label-4	0	0	0	353903.1	328213	307638.2	382600.3	322539	292263.7	357225.2	364905.8	339989.8	411189.7	425078.5	445044.7	438256.7	478371	509513.3	518715.2	564656.9	629827.2
ADP C13-label-5	0	0	0	5387818	5165704	5069562	6352390	5369074	5204581	5958762	5650826	5705672	6589536	6811954	6695710	7287360	7835668	8003636	9064937	9447499	9988447
ADP C13-label-6	0	0	0	413180.1	367268.6	386830.1	483851.8	369864.1	396360.1	429576.3	398322.9	414212.1	437692.2	495960.5	475706.2	492044.6	555331.5	573493.9	603315.3	641833.9	655187.1
ADP C13-label-7	0	0	0	24300.94	70101.12	39030.85	72074.5	91622.38	36691.1	84864.44	152020.8	41268.76	38447.15	26851.01	20771.29	0	0	26783.01	37755.12	22751.27	29907.91
ADP C13-label-8	0	0	0	0	0	0	0	5026.979	0	0	0	0	0	0	0	0	0	0	0	0	5240.996
ADP C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
ADP C13-label-10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
AMP C12 PARENT	1.200416e+007	9621041	8228352	8178078	8334676	8879109	9976891	8394655	6807186	6675030	8779921	8826309	8168084	7077948	7733806	1.140814e+007	1.538300e+007	1.126021e+007	1.27824e+007	1.309046e+007	1.426481e+007
AMP C13-label-1	1330692	991911.7	917851.8	883974.8	892229.2	994476.8	1063839	914462.5	721899.6	725120	960824	964800.6	883219	768064.8	869598.2	1207877	1681559	1210034	1416411	1429164	1572822
AMP C13-label-2	0	28196.53	0	123203.6	163098.2	0	51582.06	154446.3	59179.04	217767.2	92962.32	70269.26	288689.8	170005.7	69719.63	156192.8	453502.7	99658.18	34734.83	125211.8	121002
AMP C13-label-3	6323.957	6205.687	0	66190.63	68833.64	57491.38	75132.86	61418.48	66571.93	57672.43	81092.87	46242.47	81593.38	76252.62	61482.88	121090.3	146388.9	108393	124082.9	160713.5	190616.2
AMP C13-label-4	0	0	0	225510.7	207045	238764	294128	221865	201117	191847.1	241941	255065.1	230204.4	180943.4	176972.8	266682.9	351239.8	284963.6	279491.7	290354.7	330002.8
AMP C13-label-5	0	0	0	3857686	3680995	4305998	4774790	3687379	3292976	3072298	3926903	4173106	3575832	2961202	3177650	4914536	6031288	4791770	4743424	4819330	5583074
AMP C13-label-6	0	0	0	241225.7	241140.3	303841.5	308833.8	225326.4	217063.2	202385.4	247883.4	259137.8	218183.4	164821.8	197450.9	307071.8	364299.5	294116.8	277047.2	260261.8	328274.7
AMP C13-label-7	0	0	10258.39	0	8821.63	0	0	9475.702	0	0	0	0	5663.818	0	0	0	0	0	0	0	9622.689
AMP C13-label-8	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
AMP C13-label-9	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
AMP C13-label-10	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C12 PARENT	6337332	5934648	5297522	3911423	3659643	3293214	3421305	3624312	3410761	3321077	3945514	3420427	4676578	4246686	4491040	7031042	7078880	7144052	8784527	1.04442e+007	9643706
NADH C13-label-1	1623261	1556609	1340233	1034770	932820.8	863413.3	840180.7	939518.2	854368.8	873531.1	1005106	865004.1	1182690	1089899	1130700	1776638	1813690	1849563	2244711	2765983	2468180
NADH C13-label-2	364543.8	345482.4	311328.1	278711.7	250810.3	236728.6	235166.8	257241.7	236382.5	233164.7	287440.5	228296.7	324120.2	266130.5	312804.6	467272.6	482319.3	484345.3	555694.2	676095.9	650429.1
NADH C13-label-3	21526.55	18489.63	59588.11	35670.28	0	24292.1	15276.48	23409.53	29860.59	27573.55	38512.44	44152.56	24789.15	38101.67	16138.39	103085.5	86191.69	83478.82	186642.4	223558.6	215218.2
NADH C13-label-4	0	0	0	186507.3	179783.2	175464.1	158252.7	183998.6	174989.2	139576.3	181616.4	184443.5	182619.8	159504.1	179871.5	255885.7	235142.2	264449	222998.1	282953.9	242020.8
NADH C13-label-5	0	0	0	2872405	2650230	2374642	2310511	2514027	2383817	2194618	2620125	2448790	2728206	2432856	2619652	4052073	3745375	3785624	3658652	4207382	3847512
NADH C13-label-6	0	0	0	572958.1	522526.3	501674.9	446910.7	508648.6	466852.7	451678.5	548758.9	479535.2	573009.8	480270.1	523557	755607.9	750115.5	739320.3	732470.7	830817.2	731556.2
NADH C13-label-7	0	0	0	137101.8	145350.1	125693.3	83365.64	138580.4	119969.6	111462.1	99008.65	127098	95453.21	123840.4	142958.9	198280.1	199238.4	199668.6	178706.1	213561.1	191311.7
NADH C13-label-8	0	0	0	0	26927.25	8396.612	12986.55	22896.57	0	14120.74	15024.34	33282.81	46156.11	14331.84	21933.48	29550.84	22138.84	36874.41	32537.8	62369.29	37413.52
NADH C13-label-9	0	0	0	87765.78	81884.2	69800.35	65631.09	73531.41	62827.52	63695.73	81154.57	79132.02	67418.88	52789.48	81828.86	111349.4	85774.62	89365.53	89612.01	99055.91	101261
NADH C13-label-10	0	0	0	631516.1	613085.1	537527.6	493920.5	544496.2	574280.4	467725.3	572042.9	549401.1	575451.8	465119	540886.7	851923.9	736514.2	750227.9	747266.7	827824.9	739220.5
NADH C13-label-11	0	0	0	102471	54322.36	79317.76	83407.15	80645.48	81785.59	71684.71	73127.68	81120	87245.09	61858.67	90091.47	133588.6	118831.1	123036.4	114609.1	120331	118333.1
NADH C13-label-12	0	0	0	18001.27	7345.812	9139.132	22844.9	10430.39	8795.639	12378.45	21393.49	15429.18	12998.21	13488.7	12834.08	20820.7	15848.61	23198.68	17423.89	28731.03	10252.67
NADH C13-label-13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NADH C13-label-21	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C12 PARENT	1.442104e+007	1.427246e+007	1.365485e+007	7416082	6888254	7603002	7385554	7229200	7126166	6393934	6485906	6462096	6178386	7070216	6582802	6744462	7507678	7428426	6432210	7584180	6808924
NAD+ C13-label-1	3580846	3659111	3560039	1899843	1725577	1951005	1949026	1840630	1787950	1684831	1770566	1647000	1599040	1806591	1691448	1826313	1885731	1788554	1678891	1900470	1746590
NAD+ C13-label-2	835815.3	859144.6	816726.1	588373.8	492968.3	571913.8	568016.2	530847.2	538953.3	508122.5	560623.7	549464.2	331109	553681.8	521650.2	482619	613646.9	592072.8	350458.3	420307.9	409853.3
NAD+ C13-label-3	155535.2	129602.7	126855.1	272346.8	216581.7	261197.1	271995.9	287895.1	240823.8	286180.4	271193	254972.8	225652.1	262140.6	209118.3	225959.5	274693.6	295301.4	153901.7	195522.1	239529.1
NAD+ C13-label-4	11832.18	0	0	370248.8	335324.3	379689.8	386907.3	332054.4	357832.2	342989.4	330128.3	330448.5	262845.2	296989.8	257854.6	248229.3	292533.5	289351.1	199313.6	216604	203799.3
NAD+ C13-label-5	0	0	0	5512096	5064150	5629690	5516522	5248032	5233954	4531606	4619578	4616934	3842048	4282078	4083733	3590402	3742522	3913357	2795499	3177799	2763333
NAD+ C13-label-6	0	0	0	1166985	999581.8	1116172	1102469	1027524	1045231	916456.2	902979.1	931460.7	777210.4	877987.8	858918.8	704378.7	758853.4	791568.4	563053.8	650356.9	551704.6
NAD+ C13-label-7	0	0	0	320404.1	288785.6	319651.8	293186.4	320948	307461.4	270977.7	281662.2	270052.3	237187.6	288108.8	260253.1	230725.7	194990.9	259207.5	200476.5	148902.8	135970.7
NAD+ C13-label-8	0	0	0	97233.38	51473.36	103640.5	84642.7	94947.16	98424.91	85231.1	97640.48	96617.77	73343.69	73306.59	48376.78	54362.03	72305.59	81903.35	61591.73	72772.88	67922.1
NAD+ C13-label-9	0	0	0	150992.9	155295.4	171309.1	139297.8	161915	154249	137304	146816	138423.5	104495.4	105918.8	112699.3	97857.72	102434.3	100002.2	58230.46	74436.84	67564.27
NAD+ C13-label-10	0	0	0	1187761	1117524	1295099	1289706	1193304	1233717	1040524	1053687	1113232	791528.2	925638	878144.7	786540.7	803537.9	827792	598670.6	614943.5	582553.1
NAD+ C13-label-11	0	0	0	191493.5	200244	194575.7	183208.7	178531.6	189590.8	172935.4	140268.4	180474.8	118947.3	128026	144695.9	106252.5	117447.1	111511.9	85896.52	94552.56	96482.66
NAD+ C13-label-12	0	0	0	48990.72	42203.27	45807.68	49266.16	33391.25	54960.08	52122.58	31573.07	33730.22	43504.11	36569.89	36294.5	28823.96	14376.95	27885.3	10094.34	18968.66	29166.28
NAD+ C13-label-13	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-14	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-15	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-16	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-17	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-18	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-19	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-20	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
NAD+ C13-label-21	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glycerol 3-phosphate C12 PARENT	2758045	2438730	2213587	880819	888782.9	842436.3	854526	960894.8	923953	871096	962321.3	874051.7	938297.2	988102.2	950897.2	946570.1	981962.6	993923.5	707933.2	822814	731114.2
Glycerol 3-phosphate C13-label-1	1211226	1154846	1321030	912212.7	837773.5	773282.3	817031.8	770883	698425.8	735749.8	687314.3	657676.6	725695.2	758254.2	739139.8	769314	690553.4	627096.8	717615.3	553014.6	482495
Glycerol 3-phosphate C13-label-2	0	0	0	33077.02	84925.27	108534.2	63164.2	119740.2	85538.55	104651.3	95957.54	67096.08	81662.99	82715.27	128005.3	127919.6	188650.8	162344.5	191623.4	196111.7	189538.3
Glycerol 3-phosphate C13-label-3	0	0	0	1848213	1838061	2017322	1861398	2297844	2519977	2165433	2213988	2104612	2867999	2628228	2677541	4187328	4364077	4201968	4836308	5405822	5413674
DHAP C12 PARENT	1634310	1356180	1011635	97522.06	98893.73	92028.29	84741.6	83377.63	98776.01	82280.76	78345.03	84545.32	78039.91	75153.27	68466.89	77846.77	77968.85	75239.32	64143.5	74093.3	69967.5
DHAP C13-label-1	54664.86	39742.21	34501.29	0	4724.345	0	0	3828.287	0	0	4497.602	0	0	0	0	0	0	0	4429.752	0	0
DHAP C13-label-2	11573.65	21872.72	19847.05	86248.51	74913.4	79464.45	58683.16	81962.59	73828.13	63395.32	71994.64	79802.09	78411.66	70030.68	69890.45	80918.22	93866.26	79352.75	77507.3	88663.12	75561.68
DHAP C13-label-3	0	0	0	1863612	1932454	1486269	1034197	1448492	1497796	1114016	1397793	1451918	1345830	1183254	1204719	2094932	1888163	1800706	1339013	1614151	1023195
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention time	quantified m/z	parent	pubchem id	kegg id	regno	comments
alpha-Ketoglutaric acid C12 PARENT	9.77227	145.0139	145.0139	51	C00026	37135
alpha-Ketoglutaric acid C13-label-1	9.771767	146.0173	145.0139	51	C00026	37135
alpha-Ketoglutaric acid C13-label-2	9.772409	147.0207	145.0139	51	C00026	37135
alpha-Ketoglutaric acid C13-label-3	9.765882	148.024	145.0139	51	C00026	37135
alpha-Ketoglutaric acid C13-label-4	9.77233	149.0278	145.0139	51	C00026	37135
alpha-Ketoglutaric acid C13-label-5	9.746511	150.0309	145.0139	51	C00026	37135
Succinate C12 PARENT	9.601049	117.0191	117.0191	1110	C00042	1966
Succinate C13-label-1	9.615488	118.0225	117.0191	1110	C00042	1966
Succinate C13-label-2	9.586743	119.0257	117.0191	1110	C00042	1966
Succinate C13-label-3	9.613977	120.029	117.0191	1110	C00042	1966
Succinate C13-label-4	NA	NA	117.0191	1110	C00042	1966	Peak was not detected
Pyruvate C12 PARENT	3.399368	87.00865	87.00865	1060	C00022	1584
Pyruvate C13-label-1	3.411089	88.01196	87.00865	1060	C00022	1584
Pyruvate C13-label-2	3.396213	89.01529	87.00865	1060	C00022	1584
Pyruvate C13-label-3	3.401572	90.01868	87.00865	1060	C00022	1584
Palmitic acid C12 PARENT	1.319181	255.2324	255.2324	985	C00249	23
Palmitic acid C13-label-1	1.319958	256.2358	255.2324	985	C00249	23
Palmitic acid C13-label-2	1.319967	257.2388	255.2324	985	C00249	23
Palmitic acid C13-label-3	1.34135	258.2419	255.2324	985	C00249	23
Palmitic acid C13-label-4	1.427088	259.2457	255.2324	985	C00249	23
Palmitic acid C13-label-5	1.348812	260.2493	255.2324	985	C00249	23
Palmitic acid C13-label-6	1.363744	261.2523	255.2324	985	C00249	23
Palmitic acid C13-label-7	1.372629	262.2567	255.2324	985	C00249	23
Palmitic acid C13-label-8	1.352669	263.2591	255.2324	985	C00249	23
Palmitic acid C13-label-9	1.386036	264.2629	255.2324	985	C00249	23
Palmitic acid C13-label-10	1.357075	265.2662	255.2324	985	C00249	23
Palmitic acid C13-label-11	1.394629	266.269	255.2324	985	C00249	23
Palmitic acid C13-label-12	1.361727	267.2723	255.2324	985	C00249	23
Palmitic acid C13-label-13	1.364679	268.276	255.2324	985	C00249	23
Palmitic acid C13-label-14	1.368813	269.2792	255.2324	985	C00249	23
Palmitic acid C13-label-15	1.47836	270.282	255.2324	985	C00249	23
Palmitic acid C13-label-16	1.367668	271.2866	255.2324	985	C00249	23
Myristic acid C12 PARENT	1.367396	227.2012	227.2012	11005	C06424	36
Myristic acid C13-label-1	1.372091	228.2044	227.2012	11005	C06424	36
Myristic acid C13-label-2	1.373261	229.2079	227.2012	11005	C06424	36
Myristic acid C13-label-3	NA	NA	227.2012	11005	C06424	36	Peak was not detected
Myristic acid C13-label-4	1.380984	231.2147	227.2012	11005	C06424	36
Myristic acid C13-label-5	NA	NA	227.2012	11005	C06424	36	Peak was not detected
Myristic acid C13-label-6	1.370831	233.2213	227.2012	11005	C06424	36
Myristic acid C13-label-7	NA	NA	227.2012	11005	C06424	36	Peak was not detected
Myristic acid C13-label-8	1.377998	235.2281	227.2012	11005	C06424	36
Myristic acid C13-label-9	NA	NA	227.2012	11005	C06424	36	Peak was not detected
Myristic acid C13-label-10	1.374959	237.2348	227.2012	11005	C06424	36
Myristic acid C13-label-11	1.34915	238.2375	227.2012	11005	C06424	36
Myristic acid C13-label-12	1.317967	239.241	227.2012	11005	C06424	36
Myristic acid C13-label-13	NA	NA	227.2012	11005	C06424	36	Peak was not detected
Myristic acid C13-label-14	1.386502	241.2485	227.2012	11005	C06424	36
Malate C12 PARENT	10.04561	133.0139	133.0139	222656	C00149	37105
Malate C13-label-1	10.04539	134.0173	133.0139	222656	C00149	37105
Malate C13-label-2	10.04779	135.0209	133.0139	222656	C00149	37105
Malate C13-label-3	10.04765	136.024	133.0139	222656	C00149	37105
Malate C13-label-4	10.04551	137.0275	133.0139	222656	C00149	37105
Lactate C12 PARENT	4.700541	89.02431	89.02431	107689	C00186	37125
Lactate C13-label-1	4.70385	90.02762	89.02431	107689	C00186	37125
Lactate C13-label-2	4.68215	91.03072	89.02431	107689	C00186	37125
Lactate C13-label-3	4.710478	92.03433	89.02431	107689	C00186	37125
Glutamine C12 PARENT	9.020657	145.0617	145.0617	5961	C00064	37346
Glutamine C13-label-1	9.015346	146.0647	145.0617	5961	C00064	37346
Glutamine C13-label-2	9.027596	147.0683	145.0617	5961	C00064	37346
Glutamine C13-label-3	8.98124	148.0718	145.0617	5961	C00064	37346
Glutamine C13-label-4	9.015966	149.0752	145.0617	5961	C00064	37346
Glutamine C13-label-5	9.0439	150.0784	145.0617	5961	C00064	37346
Glutamate C12 PARENT	9.249477	146.0455	146.0455	33032	C00025	37101
Glutamate C13-label-1	9.250427	147.0488	146.0455	33032	C00025	37101
Glutamate C13-label-2	9.244956	148.0521	146.0455	33032	C00025	37101
Glutamate C13-label-3	9.247475	149.0555	146.0455	33032	C00025	37101
Glutamate C13-label-4	9.251066	150.059	146.0455	33032	C00025	37101
Glutamate C13-label-5	9.251001	151.0624	146.0455	33032	C00025	37101
Aspartic acid C12 PARENT	9.46285	132.03	132.03	5960	C0004	37126
Aspartic acid C13-label-1	9.460261	133.0333	132.03	5960	C0004	37126
Aspartic acid C13-label-2	9.46506	134.0367	132.03	5960	C0004	37126
Aspartic acid C13-label-3	9.459836	135.0401	132.03	5960	C0004	37126
Aspartic acid C13-label-4	9.461819	136.0435	132.03	5960	C0004	37126
Citrate C12 PARENT	11.00313	191.0194	191.0193	311	C00158	37071
Citrate C13-label-1	11.00191	192.0228	191.0193	311	C00158	37071
Citrate C13-label-2	10.996	193.026	191.0193	311	C00158	37071
Citrate C13-label-3	10.99045	194.0294	191.0193	311	C00158	37071
Citrate C13-label-4	11.00045	195.0327	191.0193	311	C00158	37071
Citrate C13-label-5	10.99487	196.0361	191.0193	311	C00158	37071
Citrate C13-label-6	10.99432	197.0394	191.0193	311	C00158	37071
Acetyl-CoA C12 PARENT	8.195632	808.1191	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-1	8.203998	809.1218	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-2	8.198245	810.125	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-3	8.185289	811.1279	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-4	8.1904	812.1291	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-5	8.206223	813.1345	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-6	8.176113	814.1379	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-7	8.205084	815.1419	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-8	8.200439	816.1447	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-9	8.162925	817.1464	808.1191	444493	C00024	50043
Acetyl-CoA C13-label-10	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-11	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-12	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-13	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-14	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-15	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-16	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-17	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-18	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-19	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-20	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-21	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-22	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
Acetyl-CoA C13-label-23	NA	NA	808.1191	444493	C00024	50043	Peak was not detected
ATP C12 PARENT	10.20183	505.9874	505.9874	5957	C00002	37298
ATP C13-label-1	10.20533	506.9903	505.9874	5957	C00002	37298
ATP C13-label-2	10.17514	507.9936	505.9874	5957	C00002	37298
ATP C13-label-3	10.19458	508.9966	505.9874	5957	C00002	37298
ATP C13-label-4	10.19779	510.0007	505.9874	5957	C00002	37298
ATP C13-label-5	10.19535	511.0041	505.9874	5957	C00002	37298
ATP C13-label-6	10.19221	512.0068	505.9874	5957	C00002	37298
ATP C13-label-7	10.05897	513.0096	505.9874	5957	C00002	37298
ATP C13-label-8	10.21348	514.0133	505.9874	5957	C00002	37298
ATP C13-label-9	NA	NA	505.9874	5957	C00002	37298	Peak was not detected
ATP C13-label-10	NA	NA	505.9874	5957	C00002	37298	Peak was not detected
ADP C12 PARENT	9.589986	426.0214	426.0214	6022	C00008	37737
ADP C13-label-1	9.582933	427.0243	426.0214	6022	C00008	37737
ADP C13-label-2	9.486517	428.0268	426.0214	6022	C00008	37737
ADP C13-label-3	9.598352	429.0311	426.0214	6022	C00008	37737
ADP C13-label-4	9.593696	430.0348	426.0214	6022	C00008	37737
ADP C13-label-5	9.582526	431.038	426.0214	6022	C00008	37737
ADP C13-label-6	9.587734	432.041	426.0214	6022	C00008	37737
ADP C13-label-7	9.574126	433.0439	426.0214	6022	C00008	37737
ADP C13-label-8	9.631634	434.048	426.0214	6022	C00008	37737
ADP C13-label-9	NA	NA	426.0214	6022	C00008	37737	Peak was not detected
ADP C13-label-10	NA	NA	426.0214	6022	C00008	37737	Peak was not detected
AMP C12 PARENT	8.872661	346.0552	346.0551	6083	C00020	37043
AMP C13-label-1	8.877201	347.0587	346.0551	6083	C00020	37043
AMP C13-label-2	8.839087	348.0611	346.0551	6083	C00020	37043
AMP C13-label-3	8.868049	349.0649	346.0551	6083	C00020	37043
AMP C13-label-4	8.87698	350.0685	346.0551	6083	C00020	37043
AMP C13-label-5	8.875978	351.0717	346.0551	6083	C00020	37043
AMP C13-label-6	8.869774	352.0754	346.0551	6083	C00020	37043
AMP C13-label-7	8.785977	353.0786	346.0551	6083	C00020	37043
AMP C13-label-8	NA	NA	346.0551	6083	C00020	37043	Peak was not detected
AMP C13-label-9	NA	NA	346.0551	6083	C00020	37043	Peak was not detected
AMP C13-label-10	NA	NA	346.0551	6083	C00020	37043	Peak was not detected
NADH C12 PARENT	8.724042	664.1174	664.1174	439153	C00004	42581
NADH C13-label-1	8.724965	665.1202	664.1174	439153	C00004	42581
NADH C13-label-2	8.725846	666.1226	664.1174	439153	C00004	42581
NADH C13-label-3	8.683166	667.1254	664.1174	439153	C00004	42581
NADH C13-label-4	8.729538	668.1304	664.1174	439153	C00004	42581
NADH C13-label-5	8.722316	669.134	664.1174	439153	C00004	42581
NADH C13-label-6	8.723306	670.137	664.1174	439153	C00004	42581
NADH C13-label-7	8.723293	671.139	664.1174	439153	C00004	42581
NADH C13-label-8	8.707831	672.142	664.1174	439153	C00004	42581
NADH C13-label-9	8.721357	673.1472	664.1174	439153	C00004	42581
NADH C13-label-10	8.723389	674.1506	664.1174	439153	C00004	42581
NADH C13-label-11	8.724424	675.1534	664.1174	439153	C00004	42581
NADH C13-label-12	8.732663	676.1562	664.1174	439153	C00004	42581
NADH C13-label-13	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-14	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-15	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-16	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-17	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-18	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-19	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-20	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NADH C13-label-21	NA	NA	664.1174	439153	C00004	42581	Peak was not detected
NAD+ C12 PARENT	8.999549	662.1017	662.1017	5892	C00006	71883
NAD+ C13-label-1	9.003929	663.1046	662.1017	5892	C00006	71883
NAD+ C13-label-2	8.993425	664.1079	662.1017	5892	C00006	71883
NAD+ C13-label-3	8.977571	665.1115	662.1017	5892	C00006	71883
NAD+ C13-label-4	9.000032	666.1153	662.1017	5892	C00006	71883
NAD+ C13-label-5	9.000942	667.1186	662.1017	5892	C00006	71883
NAD+ C13-label-6	8.998917	668.1215	662.1017	5892	C00006	71883
NAD+ C13-label-7	8.98357	669.1242	662.1017	5892	C00006	71883
NAD+ C13-label-8	8.980122	670.1281	662.1017	5892	C00006	71883
NAD+ C13-label-9	8.994811	671.1316	662.1017	5892	C00006	71883
NAD+ C13-label-10	9.002972	672.1354	662.1017	5892	C00006	71883
NAD+ C13-label-11	9.000935	673.1382	662.1017	5892	C00006	71883
NAD+ C13-label-12	8.982331	674.1418	662.1017	5892	C00006	71883
NAD+ C13-label-13	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-14	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-15	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-16	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-17	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-18	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-19	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-20	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
NAD+ C13-label-21	NA	NA	662.1017	5892	C00006	71883	Peak was not detected
Glycerol 3-phosphate C12 PARENT	9.518854	171.0063	171.0063	439162	C00093	37088
Glycerol 3-phosphate C13-label-1	9.524686	172.0098	171.0063	439162	C00093	37088
Glycerol 3-phosphate C13-label-2	9.532668	173.0126	171.0063	439162	C00093	37088
Glycerol 3-phosphate C13-label-3	9.529687	174.0162	171.0063	439162	C00093	37088
DHAP C12 PARENT	9.705649	168.9905	168.9904	668	C00111	37815
DHAP C13-label-1	9.718255	169.994	168.9904	668	C00111	37815
DHAP C13-label-2	9.706049	170.9971	168.9904	668	C00111	37815
DHAP C13-label-3	9.717625	172.0005	168.9904	668	C00111	37815
METABOLITES_END
#END