#METABOLOMICS WORKBENCH ejennings25_20250627_080549 DATATRACK_ID:6109 STUDY_ID:ST004038 ANALYSIS_ID:AN006676 PROJECT_ID:PR002530
VERSION                          	1
CREATED_ON                       	07-11-2025
#PROJECT
PR:PROJECT_TITLE                 	Targeted Stable Isotope Labeling (SIL) LCMS/MS Methods for Uniformly Labeled
PR:PROJECT_TITLE                 	Glucose and Glutamine through Glycolysis, TCA Cycle, Hexosamine Biosynthetic
PR:PROJECT_TITLE                 	Pathway, and Glutaminolysis
PR:PROJECT_TYPE                  	MS targeted quantitative analysis
PR:PROJECT_SUMMARY               	The goal of this study was to generate targeted LCMS/MS methods for stable
PR:PROJECT_SUMMARY               	isotope labeling (SIL) through glycolysis, tricarboxylic acid cycle,
PR:PROJECT_SUMMARY               	glutaminolysis, and the hexosamine biosynthetic pathway using either uniformly
PR:PROJECT_SUMMARY               	carbon-13 labeled glucose or glutamine. This method generation included the
PR:PROJECT_SUMMARY               	visualization of carbon-13 labeling through detailed labeling maps;
PR:PROJECT_SUMMARY               	identification of carbon-13 labeled metabolite masses and fragmentation
PR:PROJECT_SUMMARY               	patterns, including chemical structures; and confirmatory experiments detailing
PR:PROJECT_SUMMARY               	the efficacy of the method. The data in this project was used to confirm
PR:PROJECT_SUMMARY               	targeted SIL methods over a time course and after treatment with glycolytic and
PR:PROJECT_SUMMARY               	glutaminolysis inhibitors. All metabolites were converted to nmol using the area
PR:PROJECT_SUMMARY               	ratio of the peak area of analyte to the peak area of the internal standard (100
PR:PROJECT_SUMMARY               	nmol for each sample) before normalization to protein concentration.
PR:INSTITUTE                     	National Institutes of Health
PR:LAST_NAME                     	Jennings
PR:FIRST_NAME                    	Erin
PR:ADDRESS                       	10 CENTER DR RM 1-5832, BETHESDA, MD, 20892, USA
PR:EMAIL                         	erin.jennings@nih.gov
PR:PHONE                         	301-594-8989
PR:DOI                           	http://dx.doi.org/10.21228/M8MG09
#STUDY
ST:STUDY_TITLE                   	Targeted Stable Isotope Labeling (SIL) LCMS/MS Methods for Uniformly Labeled
ST:STUDY_TITLE                   	Glucose and Glutamine through Glycolysis, TCA Cycle, Hexosamine Biosynthetic
ST:STUDY_TITLE                   	Pathway, and Glutaminolysis
ST:STUDY_SUMMARY                 	The goal of this study was to generate targeted LCMS/MS methods for stable
ST:STUDY_SUMMARY                 	isotope labeling (SIL) through glycolysis, tricarboxylic acid cycle,
ST:STUDY_SUMMARY                 	glutaminolysis, and the hexosamine biosynthetic pathway using either uniformly
ST:STUDY_SUMMARY                 	carbon-13 labeled glucose or glutamine. This method generation included the
ST:STUDY_SUMMARY                 	visualization of carbon-13 labeling through detailed labeling maps;
ST:STUDY_SUMMARY                 	identification of carbon-13 labeled metabolite masses and fragmentation
ST:STUDY_SUMMARY                 	patterns, including chemical structures; and confirmatory experiments detailing
ST:STUDY_SUMMARY                 	the efficacy of the method. The data in this project was used to confirm
ST:STUDY_SUMMARY                 	targeted SIL methods over a time course and after treatment with glycolytic and
ST:STUDY_SUMMARY                 	glutaminolysis inhibitors. All metabolites were converted to nmol using the area
ST:STUDY_SUMMARY                 	ratio of the peak area of analyte to the peak area of the internal standard (100
ST:STUDY_SUMMARY                 	nmol for each sample) before normalization to protein concentration.
ST:INSTITUTE                     	National Institutes of Health
ST:LAST_NAME                     	Jennings
ST:FIRST_NAME                    	Erin
ST:ADDRESS                       	10 CENTER DR RM 1-5832, BETHESDA, MD, 20892, USA
ST:EMAIL                         	erin.jennings@nih.gov
ST:PHONE                         	301-594-8989
ST:SUBMIT_DATE                   	2025-06-27
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	Glucose 15 min 1	Glucose 0.24h 1	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_0.24h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 15 min 2	Glucose 0.24h 2	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_0.24h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 15 min 3	Glucose 0.24h 3	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_0.24h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 15 min 4	Glucose 0.24h 4	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_0.24h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 15 min 1	Glutamine 0.25h 1	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_0.25h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 15 min 2	Glutamine 0.25h 2	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_0.25h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 15 min 3	Glutamine 0.25h 3	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_0.25h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 15 min 4	Glutamine 0.25h 4	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_0.25h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 16 hour 1	Glucose 16h 1	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_16h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 16 hour 2	Glucose 16h 2	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_16h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 16 hour 3	Glucose 16h 3	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_16h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 16 hour 4	Glucose 16h 4	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_16h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 16 hour 1	Glutamine 16h 1	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_16h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 16 hour 2	Glutamine 16h 2	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_16h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 16 hour 3	Glutamine 16h 3	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_16h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 16 hour 4	Glutamine 16h 4	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_16h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 24 hour 1	Glucose 24h 1	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_24h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 24 hour 2	Glucose 24h 2	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_24h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 24 hour 3	Glucose 24h 3	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_24h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 24 hour 4	Glucose 24h 4	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_24h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 24 hour 1	Glutamine 24h 1	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_24h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 24 hour 2	Glutamine 24h 2	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_24h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 24 hour 3	Glutamine 24h 3	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_24h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 24 hour 4	Glutamine 24h 4	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_24h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 6 hour 1	Glucose 6h 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_6h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 6 hour 2	Glucose 6h 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_6h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 6 hour 3	Glucose 6h 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_6h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose 6 hour 4	Glucose 6h 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240730_SIL_Glucose_Time_Course_in_HEK293FT-Glucose_6h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Vehicle 1	Glucose + Vehicle 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Vehicle_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Vehicle 2	Glucose + Vehicle 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Vehicle_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Vehice 3	Glucose + Vehicle 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Vehicle_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Vehicle 3	Glucose + Vehicle 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Vehicle_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + 2-DG 1	Glucose + 2-DG 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_2-DG_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + 2-DG 2	Glucose + 2-DG 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_2-DG_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + 2-DG 3	Glucose + 2-DG 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_2-DG_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + 2-DG 4	Glucose + 2-DG 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_2-DG_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Malonate 1	Glucose + Malonate 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Malonate_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Malonate 2	Glucose + Malonate 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Malonate_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Malonate 3	Glucose + Malonate 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Malonate_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + Malonate 4	Glucose + Malonate 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_Malonate_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + POMHEX 1	Glucose + POMHEX 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_POMHEX_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + POMHEX 2	Glucose + POMHEX 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_POMHEX_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + POMHEX 3	Glucose + POMHEX 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_POMHEX_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + POMHEX 4	Glucose + POMHEX 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_POMHEX_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + KL-11743 1	Glucose + KL-11743 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_KL-11743_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + KL-11743 2	Glucose + KL-11743 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_KL-11743_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + KL-11743 3	Glucose + KL-11743 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_KL-11743_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glucose + KL-11743 4	Glucose + KL-11743 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glucose_+_KL-11743_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 6 hour 1	Glutamine 6h 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_6h_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 6 hour 2	Glutamine 6h 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_6h_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 6 hour 3	Glutamine 6h 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_6h_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine 6 hour 4	Glutamine 6h 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240730_Glutamine_SIL_Time_Course_in_HEK293FT-Glutamine_6h_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Vehicle 1	Glutamine + Vehicle 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Vehicle_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Vehicle 2	Glutamine + Vehicle 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Vehicle_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Vehicle 3	Glutamine + Vehicle 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Vehicle_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Vehicle 4	Glutamine + Vehicle 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Vehicle_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Malonate 1	Glutamine + Malonate 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Malonate_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Malonate  2	Glutamine + Malonate 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Malonate_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Malonate 3	Glutamine + Malonate 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Malonate_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + Malonate 4	Glutamine + Malonate 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_Malonate_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + CB-839 1	Glutamine + CB-839 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_CB-839_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + CB-839 2	Glutamine + CB-839 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_CB-839_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + CB-839 3	Glutamine + CB-839 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_CB-839_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + CB-839 4	Glutamine + CB-839 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_CB-839_4.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + V-9302 1	Glutamine + V-9302 1	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_V-9302_1.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + V-9302 2	Glutamine + V-9302 2	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_V-9302_2.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + V-9302 3	Glutamine + V-9302 3	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_V-9302_3.mzML
SUBJECT_SAMPLE_FACTORS           	Glutamine + V-9302 4	Glutamine + V-9302 4	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	Genotype=Wild-type; RAW_FILE_NAME=20240806_EQJ_SIL_+_Inhibitors-Glutamine_+_V-9302_4.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	After treatment, cells were washed with room temperature PBS, collected with a
CO:COLLECTION_SUMMARY            	cell scraper, and flash frozen in liquid N2.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	For all experiments, 3 million HEK293FT (human embryonic kidney cells ) cells
TR:TREATMENT_SUMMARY             	were plated on 100mm tissue culture dishes and allowed to seed overnight. The
TR:TREATMENT_SUMMARY             	timecourse experiments were treated with either uniformly carbon-13 labeled
TR:TREATMENT_SUMMARY             	glucose or glutamine (U-13C-glucose or U-13C-glutamine) supplemented in glucose
TR:TREATMENT_SUMMARY             	or glutamine-free RPMI, respectively. The carbon-13 labeled treatments were at
TR:TREATMENT_SUMMARY             	equivalent concentrations to complete RPMI1640. For each treatment type (glucose
TR:TREATMENT_SUMMARY             	or glutamine), every sample was treated at the same time and collected at either
TR:TREATMENT_SUMMARY             	0.25 (15 minutes), 6, 16, or 24 hours and were flash frozen in liquid N2 until
TR:TREATMENT_SUMMARY             	metabolite extraction. For the inhibitor experiments, cells were pre-incubated
TR:TREATMENT_SUMMARY             	with inhibitors for 20 minutes in either glucose-free or glutamine-free RPMI
TR:TREATMENT_SUMMARY             	before RPMI1640 equivalent concentration of either U-13C-glucose or
TR:TREATMENT_SUMMARY             	U-13C-glutamine was spiked into each sample. The cells were then co-cultured
TR:TREATMENT_SUMMARY             	with the inhibitors and either U-13C-glucose or -glutamine for 6 hours. After
TR:TREATMENT_SUMMARY             	the co-culture, cells were collected and flash frozen in liquid N2 until
TR:TREATMENT_SUMMARY             	metabolite extraction.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Frozen pellets were removed from storage and placed on wet ice. Metabolites were
SP:SAMPLEPREP_SUMMARY            	then extracted from samples by adding 1mL of -80°C 80:20 MeOH:H2O to each tube,
SP:SAMPLEPREP_SUMMARY            	vigorously vortexing, and incubating samples in -80°C freezer for >15 minutes.
SP:SAMPLEPREP_SUMMARY            	Once metabolites were extracted, precipitated protein was pelleted via
SP:SAMPLEPREP_SUMMARY            	centrifugation at max speed for 10 minutes at 4°C. Extracted metabolites in the
SP:SAMPLEPREP_SUMMARY            	supernatant were removed and placed in a new tube and dried under N2. Pelleted
SP:SAMPLEPREP_SUMMARY            	proteins were resolubilized to determine protein concentration via a BCA assay.
SP:SAMPLEPREP_SUMMARY            	Once samples were dry, metabolites were resolubilized in 50uL of 3:2 mobile
SP:SAMPLEPREP_SUMMARY            	phase A:mobile phase B (mobile phase A: 20mM NH4OAc, 20mM NH4OH, 5% acetonitrile
SP:SAMPLEPREP_SUMMARY            	in H2O; mobile phase B: 100% acetonitrile). Once resuspended, samples were spun
SP:SAMPLEPREP_SUMMARY            	down at max speed for 10 minutes at 4°C, transferred to a new tube and spun
SP:SAMPLEPREP_SUMMARY            	again to remove all insoluble debris. After the second spin, samples were added
SP:SAMPLEPREP_SUMMARY            	to vial inserts and were ready to be run via LCMS/MS.
SP:SAMPLEPREP_PROTOCOL_FILENAME  	SIL_Metabolomics_Protocol.pdf
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Shimadzu LC-30
CH:COLUMN_NAME                   	Waters XBridge BEH Amide (100 x 2.1mm, 3.5um)
CH:COLUMN_TEMPERATURE            	25
CH:FLOW_GRADIENT                 	0.45mL/min: 0.0-2.0 min: hold at 95% B, 2.0-3.0 min: decrease from 95% to 85% B,
CH:FLOW_GRADIENT                 	3.0-5.0 min: hold at 85% B, 5.0-6.0 min: decrease from 85% to 80% B, 6.0-8.0
CH:FLOW_GRADIENT                 	min: hold at 80% B, 8.0-9.0 min: decrease from 80% to 75% B, 9.0-10.0 min, hold
CH:FLOW_GRADIENT                 	at 75% B, 10.0-11.0 min: decrease from 75% to 70% B, 11.0-12.0 min: hold at 70%
CH:FLOW_GRADIENT                 	B, 12.0-13.0 min: decrease from 70% to 50% B, 13.0-15.0 min: hold at 50% B,
CH:FLOW_GRADIENT                 	15.0-16.0 min: decrease form 50% to 0% B, 16.0-17.0 min: hold at 0% B, 17.0-18.0
CH:FLOW_GRADIENT                 	min: increase from 0% to 95% B. Column is then equilibrated at 95% B for 3
CH:FLOW_GRADIENT                 	minutes between samples.
CH:FLOW_RATE                     	0.45 mL/min
CH:SOLVENT_A                     	5% acetonitrile/95% water; 20mM ammonium acetate; 20mM ammonium hydroxide (pH
CH:SOLVENT_A                     	9.45)
CH:SOLVENT_B                     	100% acetonitrile
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	ABI Sciex 6500 QTrap
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Method was generated and data was processed using SCIEX Analyst software. Area
MS:MS_COMMENTS                   	ratio raw data was used for quantitation compared to an internal standard.
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	nmol/mg protein
MS_METABOLITE_DATA_START
Samples	Glucose 0.24h 1	Glucose 0.24h 2	Glucose 0.24h 3	Glucose 0.24h 4	Glutamine 0.25h 1	Glutamine 0.25h 2	Glutamine 0.25h 3	Glutamine 0.25h 4	Glucose 16h 1	Glucose 16h 2	Glucose 16h 3	Glucose 16h 4	Glutamine 16h 1	Glutamine 16h 2	Glutamine 16h 3	Glutamine 16h 4	Glucose 24h 1	Glucose 24h 2	Glucose 24h 3	Glucose 24h 4	Glutamine 24h 1	Glutamine 24h 2	Glutamine 24h 3	Glutamine 24h 4	Glucose 6h 1	Glucose 6h 2	Glucose 6h 3	Glucose 6h 4	Glucose + Vehicle 1	Glucose + Vehicle 2	Glucose + Vehicle 3	Glucose + Vehicle 4	Glucose + 2-DG 1	Glucose + 2-DG 2	Glucose + 2-DG 3	Glucose + 2-DG 4	Glucose + Malonate 1	Glucose + Malonate 2	Glucose + Malonate 3	Glucose + Malonate 4	Glucose + POMHEX 1	Glucose + POMHEX 2	Glucose + POMHEX 3	Glucose + POMHEX 4	Glucose + KL-11743 1	Glucose + KL-11743 2	Glucose + KL-11743 3	Glucose + KL-11743 4	Glutamine 6h 1	Glutamine 6h 2	Glutamine 6h 3	Glutamine 6h 4	Glutamine + Vehicle 1	Glutamine + Vehicle 2	Glutamine + Vehicle 3	Glutamine + Vehicle 4	Glutamine + Malonate 1	Glutamine + Malonate 2	Glutamine + Malonate 3	Glutamine + Malonate 4	Glutamine + CB-839 1	Glutamine + CB-839 2	Glutamine + CB-839 3	Glutamine + CB-839 4	Glutamine + V-9302 1	Glutamine + V-9302 2	Glutamine + V-9302 3	Glutamine + V-9302 4
Factors	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:0.25 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:16 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:24 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 11mM 2-DG	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 2uM POMHEX	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:11mM U-13C-glucose + 300nM KL-11743	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1mM malonate	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 1uM CB-839	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	Sample source:HEK293FT cells | Time Point:6 hours | Treatment:4mM U-13C-glutamine + 50uM V-9302	
13C10-Oxidized glutathione					0.0770	0.0570	0.0180	0.0100					41.3760	53.3550	57.2340	53.0900					43.8900	44.5750	43.2980	38.5300																									21.3480	28.9000	29.6230	31.3310	39.0470	48.3000	38.3500	41.6640	41.6530	35.9980	33.6470	15.4740	13.8980	13.6370	14.0400	31.5470	7.1910	6.1260	6.1700	5.2620
13C11-UDP-N-acetylglucosamine			0.0050	0.0100					0.0125	0.0040		0.0050					0.0220	0.0050		0.0280					0.0090	0.0050	0.0080	0.0060		0.0060	0.0110		0.0080		0.0140		0.0040		0.0050				0.0140				0.0050	0.0070																				
13C13-UDP-N-acetylglucosamine									0.0060		0.0070						0.0100	0.0260	0.0120						0.0050	0.0060				0.0060	0.0790			0.0050	0.0100						0.0070	0.0060	0.0090				0.0080																					
13C2-2-Oxoglutaric acid	59.9340	62.1160	56.9940	58.1840					55.6870	33.5870	46.1830	56.1060					4.0260	44.2490	36.1730	51.2050					62.7530	71.3320	57.1250	56.4430	59.3590	54.2240	52.2110	54.9930	50.6530	43.3260	40.8920	39.4270	35.3990	36.7400	41.6220	40.6520	32.6240	35.1010	33.0940	30.6230	38.2180	41.9730	40.9130	40.6560																				
13C2-Acetyl-CoA	0.5530	0.2660	0.3750	0.2200	0.1420	0.1420	0.2680	0.1560	0.5200	0.1950	0.3630	0.6040	0.0930	0.1850	0.1720	0.2710	0.3620	0.3340	0.2960	0.2770	0.1890	0.2090	0.2280	0.1640	0.5070	0.4430	0.2810	0.4410	0.4530	0.3050	0.3490	0.2730	0.4940	0.3020	0.2820	0.2890	0.1830	0.2330	0.1920	0.1150	0.4530	0.5930	0.4680	0.6260	0.0670	0.1220	0.1110	0.0980	0.1380	0.1050	0.1070	0.1290	0.1440	0.2160	0.1490	0.1990	0.1650	0.1660	0.1210	0.0530	0.1030	0.1310	0.1920	0.1440	0.1550	0.1630	0.1990	0.1320
13C2-Aspartic acid	4.0450	3.9950	4.4480	4.1150	1.0670	1.1000	1.0460	0.7860	36.5800	23.4840	20.5540	28.6070	17.5320	20.7570	18.2900	28.2200	25.0160	24.0190	23.1930	30.9410	20.9250	22.6400	25.3820	26.6960	30.1340	33.3250	33.5700	32.7030	28.7260	22.9660	25.3240	30.3540	31.0620	25.5290	25.4340	27.0100	21.8350	23.2820	25.8520	29.1930	13.5440	12.8190	13.2250	12.6280	2.6750	2.3170	2.6760	3.4780	24.3160	26.0100	27.1630	28.8430	18.3090	21.0850	16.2160	19.2070	16.8350	16.3390	14.4590	6.8680	7.5460	6.8180	7.7190	16.2050	7.7390	8.1090	7.5350	8.6700
13C2-cis-Aconitic acid	0.1350	0.1600	0.2820	0.3230	0.1760	0.1690	0.1280	0.3200	0.8410	1.4270	1.1480	1.6880	1.3820	1.3860	1.3770	1.5380	1.1380	1.1230	0.9660	1.4010	1.8290	1.7300	1.7560	1.7820	0.5090	0.4560	0.4790	0.5690	1.1760	1.0440	1.1850	1.2890	0.4300	0.3620	0.2300	0.3080	1.1580	1.4080	1.2490	0.8190	0.3490	0.3620	0.2850	0.3010	0.0260	0.0440	0.0220	0.0490	0.9670	1.1240	0.9750	0.8790	0.3230	0.4220	0.3550	0.3770	0.5370	0.5140	0.4460	0.3380	0.3560	0.3830	0.5850	0.5950	0.3390	0.1930	0.2330	0.2330
13C2-Citric acid/Isocitric acid	2.1940	3.0210	2.4520	1.6920	3.3600	2.5440	1.9560	1.4590	15.2690	25.0540	20.1730	32.6470	43.5500	42.2800	34.0060	49.8650	15.2480	17.2530	19.9320	19.7880	31.7160	34.3700	32.2070	31.9940	7.0210	8.7010	7.7340	9.0440	40.7380	33.0470	37.3400	50.6800	15.4660	11.5990	9.4220	10.5070	29.6090	33.3900	31.2320	23.8790	14.3100	12.1480	9.1120	9.8500	3.6120	2.9460	2.4430	2.0410	18.7630	21.6220	24.4180	23.9590	14.8000	15.6510	14.2740	13.4350	15.5050	17.0470	13.5670	12.7990	15.0920	12.4010	16.8370	16.8760	6.0700	6.3010	6.4670	8.8200
13C2-Fumaric acid	31.3770	28.7440	41.1980	35.6990	20.8010	26.7720	23.1660	20.7130	15.3510	20.8210	21.1250	27.8250	12.6230	16.0200	15.1600	17.6760	18.1290	20.5010	16.4870	17.8840	11.7780	9.8540	10.3800	11.4900	41.8350	45.6310	34.7760	40.2930	23.0700	18.6710	19.4510	23.3990	9.2800	11.5990	11.3320	10.7720	11.8000	13.4580	16.0180	13.7000	11.7190	12.4830	11.3270	11.9340	23.5340	16.8750	16.5460	15.8950	11.2960	13.5940	12.4930	12.1640	5.7580	7.5700	6.3240	5.8690	5.3730	5.5350	5.3110	3.9060	4.7240	4.3290	5.8020	5.0340	4.0590	3.7570	3.3400	4.4350
13C2-Glutamic acid	44.7360	49.0840	46.3790	49.0280					437.6580	409.6020	388.8780	495.8980					399.8320	381.6000	350.0460	444.7300					450.4530	493.3360	402.4740	436.8460	374.3320	365.6670	354.0030	390.3440	246.8190	188.4010	172.4370	188.9090	265.2170	290.1750	292.5310	341.2210	124.8440	124.1620	129.7200	113.0220	26.6810	26.0990	29.2150	32.4720																				
13C2-Glutamine	3.8850	4.4580	4.4990	4.3000					12.4110	4.2050	3.7300	5.9360					6.6970	5.7170	5.4200	8.3640					8.8640	10.6940	7.1130	10.3360	13.2190	12.2290	12.6080	17.4150	14.3060	12.2120	11.9470	11.5150	10.2010	11.0730	15.8940	18.7580	6.1240	5.8790	6.0240	6.0050	2.5630	1.8590	1.9910	1.9780																				
13C2-Glutathione	28.0670	34.7120	45.7470	41.9570					22.0460	32.0170	35.2720	39.1640					16.8650	22.3280	21.1630	18.4280					54.0540	66.2140	55.6420	60.5610	54.2750	59.6520	55.4980	65.2370	11.2130	12.3350	10.4080	11.3030	40.8580	49.0060	49.4770	48.4620	45.5210	48.7920	49.2930	43.8830	48.5760	41.9020	42.5290	37.0890																				
13C2-Itaconic acid					1.6620	1.6590	1.5190	1.4710					0.7920	0.8710	0.8760	1.2400					1.0000	1.0210	1.1300	1.0390																									0.8220	1.0240	0.6010	0.7360	0.3170	0.4160	0.3190	0.3980	0.2990	0.2210	0.2540	0.2520	0.4310	0.2960	0.4100	0.3430	0.3660	0.4510	0.2470	0.2520
13C2-Malic acid	7.5250	7.0030	7.7590	7.7190	5.9820	5.6420	4.3500	5.7120	149.4240	144.7260	148.4460	192.8850	119.2180	140.7000	131.4360	165.5970	145.4570	146.8210	132.2670	170.0040	117.7840	104.4000	121.5770	122.4710	118.0500	132.8630	118.7020	126.7740	74.9930	61.4420	68.4300	85.1860	27.3890	25.8970	22.6020	28.2830	61.7550	70.9820	71.1230	70.4210	27.8540	22.2150	22.0210	24.1830	3.9860	4.4620	4.0270	3.6300	121.5780	125.2340	124.9290	118.8730	68.3770	83.1310	72.7240	64.0230	70.6150	67.3030	62.4090	32.3760	27.7490	25.3520	30.1520	61.3680	7.6790	8.8680	6.5260	12.9800
13C2-N-Acetylglucosamine 1-phosphate/13C6-N-Acetyl-glucosamine 6-phosphate					0.1750	0.1210	0.0500	0.0540					0.1470	0.1850	0.0750	0.1660					0.1230	0.1670	0.1560	0.1510																									0.1310	0.0820	0.0860	0.1530	0.0960	0.0630	0.0460	0.0940	0.0170	0.0380	0.0500	0.0350	0.1200	0.0590	0.0560	0.0550	0.0990	0.0690	0.0360	0.0460
13C2-Oxaloacetic acid	0.2020	0.2200	0.1670	0.2560	0.1750	0.1310	0.2230	0.1760	0.2250	0.2760	0.2210	0.0750	0.1870	0.1480	0.3250	0.1300	0.2070	0.2760	0.1650	0.1430	0.2530	0.1260	0.2940	0.2480	0.6750	0.7830	0.4690	0.1780	0.3750	0.5790	0.4420	0.3280	0.1240	0.1180	0.0860	0.0850	0.2000	0.2480	0.2600	0.3480	0.0810	0.0610	0.0830	0.0680	0.0360	0.0500	0.0770	0.0800	0.1880	0.2330	0.1540	0.1820	0.0540	0.0670	0.0710	0.1380	0.1450	0.1130	0.0660	0.1000	0.0870	0.0670	0.0760	0.1090	0.0690	0.0710	0.0850	0.0680
13C2-Succinic acid	1.0360	1.2790	1.2570	1.6690	0.8430	0.7590	0.7320	0.6290	10.8600	10.3770	10.7850	15.3140	13.4650	16.9950	16.4120	16.6220	13.3510	12.7880	10.8890	11.8320	12.7000	11.6130	12.3710	12.7980	10.6660	11.8710	9.2090	10.1740	5.9230	4.9450	5.0060	6.1460	2.7130	2.4240	2.3590	2.4730	3.1700	3.6230	4.4030	4.5330	2.0670	2.5170	2.1200	2.1470	0.7870	0.9580	0.8660	0.7500	15.7960	17.0190	16.5630	14.9280	3.8370	4.5140	4.5130	4.5060	3.4950	3.5290	3.4460	2.0380	2.0970	1.9040	1.9950	3.5910	1.7250	1.3300	1.3530	1.6590
13C2-Succinyl-CoA	0.1020	0.1620	0.1200	0.1430	0.1070	0.1440	0.0980	0.1210	0.0230	0.0130	0.0250	0.0170	0.1690	0.1210	0.1120	0.1450	0.0080	0.0190	0.0110	0.0090	0.1210	0.1130	0.1080	0.1180	0.0860	0.0330	0.0190	0.0860	0.1120	0.0260	0.0600	0.0530	0.0300	0.0340	0.0670	0.0710	0.0640	0.0280	0.0320	0.4830	0.0710	0.0320	0.0110	0.0550	0.0380	0.0510	0.0450	0.0580	0.0820	0.0890	0.0870	0.0850	0.0760	0.1190	0.0930	0.0690	0.1070	0.0690	0.0560	0.0680	0.1100	0.0730	0.0900	0.0480	0.0860	0.0720	0.0560	0.0780
13C2-UDP-N-acetylglucosamine						0.0040								0.0260								0.0030																															23.5270	28.0510	25.8830	24.3000	22.5660	22.7150	20.3890	12.4860	14.7580	14.1860	16.8890	20.0410	13.7120	14.0600	14.7130	13.6810
13C3-2-Oxoglutaric acid	12.8690	14.0070	12.5360	12.9810	0.1982	0.1010	0.0890	0.0440	84.9190	42.9400	137.0270	170.0780	8.9060	9.9600	9.3190	9.4270	3.1340	128.5530	119.3480	148.2430	6.7780	9.3260	8.5320	6.8120	172.9330	199.2950	156.7240	162.3030	157.6130	147.9370	142.2480	160.1270	90.8660	73.0280	65.2800	66.8610	98.6980	105.0540	116.2700	128.6780	46.7580	46.3760	46.6990	41.3570	6.3130	5.8990	6.4630	7.8160	13.1150	14.7710	14.4800	13.2700	3.6840	4.2400	3.2750	3.8510	4.1960	4.5160	3.3260	2.4260	1.9200	1.7020	2.4710	3.7540	0.4810	0.6300	0.5580	0.7120
13C3-Aspartic acid	0.4620	0.3410	0.3660	0.4500	0.7590	0.9430	0.6980	0.5030	46.9500	21.7770	18.7780	27.3040	5.9890	7.2440	6.9260	11.0400	28.2480	24.3570	23.8080	33.7970	7.6330	7.3310	8.6030	9.5640	15.6360	16.7710	16.8780	17.0380	15.6340	12.2290	14.1710	18.8160	12.4380	10.5550	10.1000	10.5070	13.2330	14.0830	13.2350	17.7330	3.4510	3.1680	3.5880	3.2200	0.4260	0.2570	0.3360	0.5100	10.2430	11.4530	12.2090	12.9010	8.8620	9.9390	6.8210	8.2940	7.4200	6.8190	6.4350	2.8810	2.3310	2.2100	2.7870	7.2400	1.7730	2.0070	1.8690	2.1800
13C3-cis-Aconitic acid	0.0490	0.0730	0.0100	0.0300					0.3200	0.3400	0.2510	0.3750					0.3770	0.3500	0.3480	0.4970					0.0800	0.1370	0.0780	0.0700	0.1430	0.1250	0.1680	0.1730	0.0210	0.0350	0.0060	0.0420	0.2010	0.1890	0.1580	0.1630	0.0350	0.0170	0.0080	0.0330	0.0100	0.0060	0.0160	0.0430																				
13C3-Citric acid/Isocitric acid	0.2480	0.3630	0.1970	0.1620					6.5000	6.8130	5.6330	8.4060					5.5090	5.8590	7.6280	7.5480					0.9780	1.3720	1.3910	1.3970	5.4530	5.0880	5.9810	8.2490	2.5330	1.9210	1.4660	1.6130	4.6700	5.4800	4.7560	3.9370	1.6490	1.3830	1.0310	1.2690	0.4040	0.3130	0.2450	0.1990																				
13C3-Fumaric acid	0.4270	0.3070	0.5430	0.5020	1.2430	1.2390	1.4800	1.2620	4.8580	3.3660	3.7870	4.6270	4.5300	6.4290	6.2170	6.7600	4.7430	4.2220	3.6110	4.4810	5.3960	3.9710	4.1950	4.5750	1.9880	2.1130	1.8730	1.9620	0.7500	0.7580	0.6950	1.0570	0.5540	0.4840	0.3760	0.4650	0.4100	0.5340	0.3640	0.4990	0.3580	0.3270	0.3820	0.3410	0.2770	0.1520	0.2510	0.1970	3.3030	4.0250	3.8240	2.9760	1.9030	2.0480	1.9830	1.8530	1.7600	1.6120	1.6980	1.2750	1.1840	1.0110	1.2800	1.7500	1.4560	1.0090	1.1630	1.2930
13C3-Glutamic acid	2.4390	2.2650	2.4520	2.7350	3.3970	3.5730	3.7710	3.2600	302.9310	174.0810	166.2090	220.2540	479.6780	545.3870	614.7580	577.4180	229.0780	202.9790	180.2520	254.3260	490.8780	480.3590	537.4980	487.8210	102.5170	107.4880	89.6760	96.0900	77.5360	76.3550	73.2790	87.3420	45.1110	36.1460	31.7160	33.9080	59.5500	65.8710	63.7010	77.4630	15.0170	14.9670	15.6300	13.9540	1.6720	1.8090	1.8290	2.0200	523.6470	615.4680	567.8570	576.8570	336.4850	355.2800	248.8890	352.1280	355.6330	300.2080	276.7700	229.6620	213.0130	192.6550	217.5890	303.4860	120.0530	132.4290	138.2350	129.7970
13C3-Glutamine	0.2610	0.4090	0.5420	0.4650	1.5880	2.0470	1.9560	1.2990	7.4880	1.8770	1.4590	2.2290	32.6800	36.4290	36.0930	45.0890	3.6540	2.6250	2.7310	3.8080	34.8750	36.8330	41.6630	42.1080	1.4910	1.8620	1.2330	1.8810	1.1120	0.0490	1.5030	2.8090	1.1470	1.0920	1.0840	1.1890	1.9300	2.3680	2.9380	3.3420		0.0590	0.0610	0.0320	0.0520	0.0430	0.0360		14.2640	15.4130	17.4140	17.3240	9.2670	10.7280	8.3110	11.9320	8.3410	8.1470	7.7530	6.3320	5.1100	4.5760	5.8020	8.3900	6.5820	7.4090	7.7720	7.0160
13C3-Glutathione	1.6180	2.1310	3.2230	2.3990	3.1630	3.9270	2.7670	2.7820	2.5560	2.5330	2.7790	3.6300	3.2890	3.7470	3.1020	4.6450	2.0590	2.5640	2.5650	2.4480	3.6190	3.1550	3.5340	3.3440	3.6240	4.7590	3.7000	3.9810	3.6290	4.5570	3.8090	4.4640	0.7540	0.9940	0.8680	0.8860	2.8620	3.3280	3.6550	3.7390	3.0030	3.4160	3.2590	3.0690	3.2380	2.8740	2.9280	2.6280	3.2450	3.1470	3.5590	4.1100	2.4880	3.0980	2.6740	2.5080	2.4410	2.5060	2.3720	1.7970	1.9920	1.8720	2.3420	2.2870	1.0540	0.9980	0.8780	0.8470
13C3-Glyceraldehyde 3-phosphate/13C3-Dihydroxyacetone phosphate	0.9930	1.2790	1.4030	1.5530					2.0170	2.7920	3.3430	3.5380					3.0780	3.7210	3.0510	3.8760					2.3820	1.9170	1.9570	2.4550	3.7370	3.0060	3.0010	3.7690	0.3870	0.5800	0.4730	0.3490	1.5270	2.0390	1.8120	1.2160	20.6110	49.7990	44.5480	50.3230	0.4900	0.5430	0.4270	0.5670																				
13C3-Itaconic acid					2.2030	2.9540	2.6770	2.1330					4.5650	5.4400	5.2160	5.7560					5.0140	4.9560	5.3960	4.8780																									3.8960	4.5060	4.6190	4.6630	0.0221	0.0250	0.0250	0.0270	0.0410	0.0370	0.0260	0.0110	0.0230	0.0230	0.0240	0.0290	0.0380	0.0320	0.0480	0.0280
13C3-Lactic acid	0.8370	1.7780	6.6980	0.1300	1.3290	0.8760	1.0320	0.8330	84.1020	103.7660	97.0610	104.9140	1.0240	1.2120	1.3560	1.0920	103.2960	113.6680	98.4310	102.6820	1.3360	1.0260	1.5500	1.5480	5.8400	3.6370	30.0460	31.0880	16.7150	16.2250	17.8350	21.1890	6.3860	5.7750	5.7580	6.7390	10.7520	14.5370	12.4310	14.9160	30.2100	29.5300	30.8160	30.5600	2.2810	3.4040	3.5230	3.6140	1.4840	1.8840	1.2870	1.3180	1.2780	1.4910	1.5450	1.3440	1.3820	1.1070	1.1090	0.6640	0.6880	0.7460	0.7720	0.8770	0.6340	0.6240	0.7530	0.5210
13C3-Malic acid	1.1080	0.9490	0.8800	1.0610	5.9200	5.5200	4.6460	3.5670	144.5250	99.6700	98.3300	138.7990	37.4490	42.9070	43.0470	55.4470	122.9710	119.0810	111.3500	143.4830	35.5990	35.3080	37.9660	40.8010	42.3530	45.8490	38.3930	45.7840	23.0700	21.5340	23.9230	31.8100	6.8310	6.5660	6.4660	7.2700	21.1180	26.6330	23.7490	26.9520	4.2640	4.0740	4.7840	4.7610	0.6540	0.5280	0.4440	0.4480	50.1630	57.8000	58.6790	59.7130	34.5030	38.8250	33.4710	29.4900	33.2100	28.8700	28.1030	12.1300	9.1220	7.5510	10.1540	27.9030	5.0520	4.6030	4.0520	5.1620
13C3-Oxaloacetic acid	0.0090	0.0130	0.0030	0.0170	0.0330	0.0150	0.0200	0.0250	0.0240	0.0280	0.0180	0.0170	0.0140	0.0140	0.0310	0.0070	0.0240	0.0230	0.0170	0.0210	0.0190	0.0120	0.0190	0.0090	0.0270	0.0370	0.0280	0.0150	0.0710	0.1120	0.0640	0.0560	0.0230	0.0200	0.0280	0.0150	0.0200	0.0410	0.0470	0.0870	0.0160	0.0140	0.0200	0.0240	0.0140	0.0080	0.0150	0.0160	0.0140	0.0350	0.0110	0.0180	0.0090	0.0080	0.0080	0.0120	0.0080	0.0060	0.0080	0.0140	0.0160	0.0050	0.0080	0.0100	0.0110	0.0060	0.0110	0.0080
13C3-Phosphoenolpyruvic acid	1.0700	1.6080	2.0730	0.9420					1.9680	2.0620	2.0490	3.1340					2.0170	2.0230	2.0120	3.9370					1.1800	1.0510	1.1500	1.0740	2.2310	2.0700	2.0960	3.0030	1.2700	1.3690	1.3790	1.1780	0.0770	0.1730	0.0760	0.2590	20.3170	32.4830	26.8930	31.0020	2.0980	1.7450	1.6030	1.9990																				
13C3-Phosphoglyceric acid	1.0700	1.4980	3.2480	1.5530					3.0780	4.7790	4.4850	8.4060					5.8890	6.7660	6.1520	10.6080					1.5740	1.7320	1.7900	2.0270	3.2090	2.6190	3.3890	4.8690	1.6050	2.1850	2.3650	2.4460	6.5620	6.9850	5.8750	6.6580	528.8220	596.6470	587.2190	522.8060	3.3300	3.1320	2.3200	2.6960																				
13C3-Succinic acid	0.0330	0.0700	0.0470	0.0670	0.3140	0.3320	0.2700	0.1800	14.6970	9.7620	9.1990	13.3590	2.2370	2.6470	2.5450	3.0580	14.8270	13.5320	12.1190	14.6880	1.7310	1.4020	1.3300	1.4170	4.6600	4.5630	3.7370	4.7960	2.2430	1.7900	1.9290	2.8950	0.6150	0.6630	0.5590	0.6850	1.3230	1.6410	1.6140	1.6450	0.3520	0.3290	0.3330	0.4130	0.0120	0.0250	0.0100	0.0160	1.9340	2.1090	2.2430	1.6860	0.9810	1.1290	1.0620	1.0040	0.7470	0.8550	0.8450	0.2810	0.3870	0.2710	0.3980	0.7580	0.1630	0.1880	0.0970	0.1910
13C3-Succinyl-CoA	0.4030	0.4560	0.8620	0.4900	0.4180	0.5340	0.6040	0.4910	0.1600	0.0720	0.1150	0.1170	0.5710	0.6250	0.5830	0.8500	0.0820	0.1090	0.0500	0.0840	0.6470	0.6800	0.6310	0.6640	0.1450	0.1640	0.1760	0.2060	0.1020	0.0570	0.0600	0.0890	0.3010	0.3870	0.4210	0.4260	0.0940	0.0870	0.1130	0.1340	0.0610	0.0160	0.0350	0.0650	0.1020	0.0240	0.1050	0.1270	0.5510	0.5190	0.4320	0.3710	0.3330	0.4550	0.5780	0.2630	0.2600	0.3140	0.2780	0.1580	0.3160	0.2980	0.3450	0.2100	0.2940	0.3630	0.1720	0.3370
13C4-2-Oxoglutaric acid	0.5230	0.5740	0.5020	0.6170					78.5500	38.4340	71.0510	92.5330					7.8000	74.4260	66.4410	106.0820					34.3790	38.3340	30.3250	33.6720	31.0140	30.1240	28.8270	32.7260	17.0780	12.9490	11.6390	12.2580	21.1730	23.3390	23.0680	28.4880	5.6710	5.6440	6.6440	5.3670	0.3220	0.3320	0.3210	0.5670																				
13C4-Aspartic acid	0.0730	0.0860	0.0970	0.1340	17.2320	20.9080	17.7600	16.0560	48.9920	15.8380	12.8780	19.8100	68.5150	83.5840	70.2380	104.8160	23.4700	20.5690	20.0550	28.2210	81.5940	93.2570	96.6930	98.3900	5.3740	5.9570	5.8240	6.4110	4.3280	3.7580	4.4340	5.9310	2.7580	1.9700	1.8720	2.1490	3.7990	5.0540	4.4710	5.9730	0.5140	0.4090	0.4110	0.5020	0.0490	0.0710	0.0780	0.0700	139.7670	142.3600	157.1070	166.7910	112.0120	118.8910	88.5340	103.3100	94.6650	89.4430	81.0150	33.7140	30.7580	29.4700	32.8970	85.3400	30.0440	29.8700	27.7660	28.1640
13C4-cis-Aconitic acid	0.0570	0.0420	0.0190	0.0220	0.9770	0.9950	0.6110	0.6860	0.0870	0.1190	0.0740	0.1360	2.1670	2.2220	2.3780	2.9090	0.1350	0.1100	0.1170	0.1920	2.8820	3.1320	3.3770	2.7660	0.0490	0.0390	0.0370	0.0120	0.0493	0.0577	0.0555	0.0728	0.0110	0.0160	0.0040	0.0080	0.0450	0.0450	0.0620	0.0720	0.0180	0.0160	0.0080	0.0090	0.0220	0.0110	0.0110	0.0260	2.6900	2.4730	2.1390	2.7370	1.0620	1.3140	1.0390	1.3140	1.2180	1.1690	0.8680	1.0300	1.0030	0.9430	1.1810	1.2180	0.5800	0.5290	0.9850	0.8020
13C4-Citric acid/Isocitric acid	0.1500	0.1360	0.0660	0.0800	3.3720	3.1530	2.1880	1.8020	14.7790	16.9980	14.0200	21.4390	53.0870	53.7730	46.0370	59.8510	12.9300	13.3290	17.9020	17.3400	38.4280	42.8750	38.5350	37.7730	2.1440	2.5590	2.3000	2.5030	11.6300	10.6780	11.8540	18.2770	4.0410	2.8540	2.1060	2.2980	10.4210	12.1520	9.9570	9.0910	2.1970	1.8390	1.3540	1.5970	0.8330	0.7440	0.3650	0.2530	34.7500	41.9590	45.2390	44.1400	24.7420	27.6790	24.5730	22.2630	26.2500	28.9140	22.7930	17.7930	21.3970	18.7620	23.7790	26.1770	6.6430	7.0590	6.8820	9.5720
13C4-Fumaric acid	0.3140	0.3350	0.3650	0.2750	1.1180	1.1730	1.0210	0.9050	9.2270	6.9630	6.6610	9.5140	12.1320	13.7220	12.5870	13.8930	9.2760	8.6600	7.3820	8.9080	13.8840	10.7920	12.2290	11.9720	5.4680	6.2080	4.6090	5.7490	2.9040	2.3860	2.3440	3.4510	1.0380	0.9510	0.8750	0.9710	1.4170	1.8400	2.1340	2.1450	0.7420	0.6910	0.7780	0.7010	0.1150	0.0800	0.1510	0.0980	14.0720	16.8050	14.5750	14.4670	9.7170	12.4000	7.7690	8.6820	11.1040	9.4760	9.5360	3.8170	3.3770	3.2540	3.7040	7.5270	1.4260	1.1320	1.2400	1.4030
13C4-Glutamic acid	0.3270	0.4370	0.3290	0.3050					349.4730	190.4650	184.6060	248.2750					244.5370	220.5700	206.7060	290.3670					83.5670	85.4900	69.4590	80.0210	60.7570	59.1750	60.3480	69.5500	27.9690	21.4180	17.7360	20.1640	46.4820	53.0380	51.6410	64.0190	7.2430	7.0470	8.0360	7.1980	0.3440	0.2510	0.2730	0.3120																				
13C4-Glutamine	0.2230	0.1610	0.2360	0.1320					8.7370	2.0550	1.7190	2.8800					3.9350	3.0790	2.9590	4.7940					1.3670	1.6010	1.0480	1.5830	2.0720	1.6520	1.9720	2.9060	1.2120	0.9140	1.0720	1.0720	1.5440	1.8850	2.1520	2.9320	0.3250	0.3200	0.3320	0.2790	0.2350	0.3090	0.2520	0.1330																				
13C4-Glutathione	0.3540	0.5140	0.6910	0.8300					2.0490	2.0620	2.1570	2.8870					1.5740	2.1920	2.0730	2.2850					1.6150	2.4070	1.8450	1.9700	2.3770	2.5650	2.1550	2.9060	0.4190	0.5650	0.3440	0.5570	1.9350	2.1690	2.2880	2.4780	2.2550	2.2550	2.1640	2.2230	1.4090	1.3800	1.2600	1.2010																				
13C4-Itaconic acid					0.1400	0.1840	0.1830	0.1500					0.2360	0.3710	0.3860	0.4090					0.3450	0.2840	0.3700	0.3390																									0.2410	0.2540	0.3080	0.2560	0.3620	0.3330	0.2860	0.3760	0.3000	0.2850	0.2480	0.3760	0.3700	0.3440	0.3850	0.3960	0.4700	0.4680	0.4760	0.3780
13C4-Malic acid	5.3190	5.5900	2.4520	3.0140	33.4780	35.5110	29.9870	24.8810	68.0170	32.9730	31.4020	47.0480	277.0070	306.4760	318.5060	357.2430	47.1510	43.5730	42.6950	56.2370	259.9150	262.7610	283.6790	254.5750	9.1850	10.2480	8.9860	8.3980	6.7370	8.2920	7.4900	8.3030	5.9220	4.2530	3.5530	3.4540	3.5560	4.5140	3.7170	4.4560	3.6040	3.9190	3.7020	3.5860	2.9170	4.8340	3.5680	4.3120	356.1180	396.0400	379.5180	371.3630	228.9710	247.9990	227.2070	207.5910	220.0320	219.6210	196.9180	79.8240	67.3430	65.4390	77.7100	185.0640	18.0990	17.3850	11.9250	23.1030
13C4-Oxaloacetic acid	0.0080	0.0070	0.0130	0.0110	0.0100	0.0010	0.0020	0.0080	0.1540	0.1820	0.1390	0.0640	0.0010	0.0020	0.0020	0.0010	0.1360	0.1640	0.1120	0.1090	0.0090	0.0020	0.0060	0.0050	0.1720	0.2270	0.1750	0.0620	0.1090	0.1630	0.1310	0.0660	0.0115	0.0100	0.0100	0.0100	0.0620	0.0680	0.0670	0.1180	0.0060	0.0050	0.0130	0.0030	0.0010	0.0010	0.0028	0.0010	0.0058	0.0040	0.0030	0.0040	0.0020	0.0020	0.0010	0.0040	0.0060	0.0020		0.0030	0.0030	0.0020	0.0010	0.0010	0.0010	0.0020	0.0010	0.0020
13C4-Oxidized glutathione	0.1430	0.0560	0.1440	0.1720					0.8250	0.9690	0.8940	1.1600					0.7030	0.8390	0.8490	0.9930					0.5170	0.6100	0.4680	0.6090	0.8770	0.6020	0.6520	0.8840	0.0580	0.1880	0.1190	0.1620	0.4480	0.6700	0.6370	0.6980	0.3660	0.3570	0.3080	0.2760	0.2480	0.1800	0.1360	0.1590																				
13C4-Succinic acid		0.0067	0.0038	0.0272	8.5910	10.9190	9.4590	8.1630	14.5342	7.2363	6.4707	9.4488	57.3650	66.8670	62.9360	72.5650	12.2971	10.5549	9.7816	12.3083	45.3370	35.5430	36.2600	39.8380	1.7293	1.7207	1.3354	1.6796	0.7944	0.5870	0.4413	0.9489	0.1231	0.0884	0.0875	0.1603	0.4924	0.6530	0.4453	0.6319	0.0164	0.0238	0.0448	0.0158	0.0031	0.0057	0.0072	0.0107	53.8960	60.9050	60.5710	50.8670	26.7210	30.8840	29.9930	24.3480	21.5430	22.4930	21.2420	8.5620	9.0750	7.5050	8.8590	19.8970	4.8330	4.6850	4.0880	5.3120
13C4-Succinyl-CoA	0.0790	0.0760	0.1680	0.2040	0.0910	0.1240	0.1670	0.1140	0.0440	0.0620	0.0160	0.0520	0.2690	0.2330	0.1440	0.3060	0.0630	0.0360	0.0200	0.0330	0.1990	0.2670	0.1880	0.2490	0.0400	0.0750	0.0190	0.0370	0.0710	0.0190	0.0570	0.0800	0.0560	0.0620	0.0560	0.1090	0.0280	0.0290	0.0560	0.0430	0.0190	0.0150	0.0520	0.0110	0.0840	0.0690	0.0460	0.0260	0.1350	0.1080	0.1280	0.1210	0.1390	0.1930	0.1680	0.0870	0.1070	0.1470	0.1300	0.0790	0.1240	0.0920	0.1330	0.1060	0.1370	0.1160	0.1160	0.1310
13C5-2-Oxoglutaric acid					5.6860	7.6000	5.5470	4.9390					45.7940	51.5440	49.2360	47.3220					32.0450	41.3500	40.5970	29.0350																									61.9380	72.6790	73.8210	58.8840	21.0530	24.3360	19.3780	22.7960	26.1480	25.3720	20.2730	15.1620	14.6150	11.7150	16.7850	21.4310	4.4730	5.5360	6.1700	5.4620
13C5-cis-Aconitic acid	0.0520	0.0520	0.0070	0.0200	0.2300	0.1480	0.1710	0.1700	0.1540	0.0590	0.1020	0.1590	0.4190	0.4490	0.4140	0.4650	0.1640	0.1250	0.1410	0.2460	0.3440	0.2820	0.3910	0.3040	0.0330	0.0220	0.0140	0.0180	0.0190	0.0170	0.0230	0.0110	0.0220	0.0190	0.0200	0.0140	0.0110	0.0350	0.0300	0.0040	0.0220	0.0120	0.0060	0.0050	0.0090	0.7220	0.0270	0.0170	0.3220	0.2120	0.2780	0.3450	0.0270	0.0420	0.0140	0.0390	0.0230	0.0130	0.0520	0.0220	0.0090	0.0160	0.0350	0.0270	0.0060	0.0153	0.0080	0.0090
13C5-Citric acid/Isocitric acid	0.0860	0.0740	0.0490	0.0850	0.6010	0.2940	0.1480	0.1610	14.6970	13.1070	10.9750	17.4640	1.0660	0.9610	0.9740	1.1470	10.6810	11.1640	15.1340	16.0480	0.8160	0.8740	0.8320	0.8390	0.7920	0.9290	0.8560	1.0170	4.9950	4.5510	4.6770	7.4940	1.2760	0.8840	0.5800	0.7590	4.4000	5.6790	3.9400	3.5790	0.4790	0.3880	0.2970	0.2880	0.3800	0.2130	0.1400	0.1130	0.6270	0.8070	1.0030	0.9770	0.4680	0.5290	0.4700	0.4950	0.5580	0.5360	0.4650	0.2420	0.4090	0.3060	0.3970	0.5080	0.1190	0.1790	0.1510	0.1870
13C5-Glutamic acid					0.0740	0.0260	0.0660									0.0060							0.0350	0.0220																									0.0770		0.0930	0.0150	1659.9310	1843.7410	1314.4600	1741.2400	1939.3530	1598.4530	1430.3660	1092.5680	1523.5690	1409.4510	1543.8450	1567.7710	497.8860	504.6310	468.6940	506.1580
13C5-Glutamine					1131.1270	1526.6410	1441.4130	1105.5350					2419.4270	2730.4180	2886.0240	3119.6700					2697.8560	2692.1230	2851.0120	2648.9580																									2153.9410	2408.3540	2470.1790	2653.9090	1372.0290	1523.2930	1124.7440	1673.3360	1299.7250	1191.0910	1147.3940	1672.2970	1795.8060	1546.7350	1833.9630	1500.6500	2065.8920	2141.0370	2331.6040	2014.6070
13C5-Glutathione					0.3160	0.2690	0.2550	0.1270					9.3270	11.5620	11.6830	13.0860					9.4100	8.5630	9.1720	7.9810																									8.3960	8.9480	10.1270	10.8740	10.5710	13.2360	10.6600	10.9130	11.4110	10.9810	10.1560	5.7970	5.7310	6.0410	6.5280	8.8700	2.9430	2.0240	2.1540	2.2200
13C5-Oxidized glutathione	0.0380	0.0210	0.0160	0.0170					0.4470	0.3410	0.3310	0.3490					0.4220	0.3700	0.4050	0.4520					0.1120	0.1590	0.0790	0.0990	0.1280	0.1250	0.1490	0.1610	0.0230	0.0280	0.0070	0.0350	0.0710	0.1270	0.1180	0.1600	0.1020	0.0430	0.0970	0.0260	0.0220	0.0290	0.0340	0.0290																				
13C6-cis-Aconitic acid					0.0590	0.0390	0.0310	0.0170					0.0660	0.1430	0.1110	0.0690					0.0930	0.1120	0.2130	0.1010																									0.1200	0.0870	0.0730	0.0840	0.0230	0.0410	0.0140	0.0320	0.0260	0.0310	0.0210	0.0260	0.0290	0.0280	0.0150	0.0210	0.0220	0.0310	0.0290	0.0310
13C6-Citric acid/Isocitric acid					1.4150	0.7300	0.4930	0.3680					2.2580	2.6610	1.8710	2.8780					1.8880	2.0180	1.8980	1.9880																									1.9430	2.3660	2.4700	2.2580	1.6060	1.6900	1.5090	1.2030	1.4070	1.5050	1.3260	0.5440	0.4690	0.4440	0.6010	1.3620	0.2220	0.2120	0.1930	0.2580
13C6-Fructose 1_6-bisphosphate	0.0040	0.0100	0.0100	0.0070					0.0480	0.0660	0.0960	0.1600					0.0800	0.0920	0.0900	0.1080					0.0180	0.0190	0.0190	0.0300	4.5000	3.5610	4.4180	10.0820	2.9970	3.4610	2.9010	3.7730	6.3410	5.6390	4.1560	5.0580	671.3330	765.1040	715.0400	764.0040	2.5440	1.4230	1.2280	2.2980																				
13C6-Glucosamine 6-phosphate	0.3570	0.4900	0.8620	0.7200					1.4700	1.4610	1.5290	2.1700					1.3000	1.3800	1.0030	1.5980					0.6430	0.5940	0.6150	0.7100	0.3960	0.3410	0.4270	0.5610	0.7480	0.6130	0.4580	0.5570	0.4060	0.6020	0.4820	0.5010	8.4800	10.8730	10.2510	11.4280	0.3490	0.4050	0.3770	0.4010																				
13C6-Glucose	1.0490	4.8960	1.2090	2.1090					0.1100	0.1560	0.1930	0.1620					0.0860	0.0610	0.0520	0.0460					0.5240	0.3770	0.6740	0.4370	0.2190	0.2650	0.6030	1.9140	0.6960	0.9140	0.8440	1.2310	0.2520	0.2540	0.5610	0.8390	3.0680	5.2210	4.3660	4.0030	0.5770	1.7300	1.7130	2.0300																				
13C6-Glucose 6-phosphate/13C6-Fructose 6-phosphate	8.8370	12.7890	21.4830	11.2430					23.4340	26.5560	30.5140	44.8980					25.0160	29.8380	20.8550	30.8050					12.5300	13.2860	12.5190	14.2120	17.7950	21.7730	18.2120	14.1800	15.9820	12.5190	13.1180	16.1320	6.0650	11.0730	9.8330	11.0110	177.8440	231.5450	215.1450	227.9380	8.0630	7.1430	5.9720	6.7150																				
13C6-N-Acetylglucosamine 1-phosphate/13C6-N-Acetyl-glucosamine 6-phosphate	0.0260	0.0370	0.0400	0.1000					0.1180	0.1250	0.2060	0.2450					0.1570	0.1160	0.1270	0.2260					0.0540	0.1480	0.1730	0.0960	0.1440	0.1190	0.0890	0.0910	0.0680	0.0120	0.0070	0.0130	0.0620	0.1030	0.1240	0.0960	0.0200	0.0470	0.0240	0.0410	0.0580	0.0410	0.0790	0.0430																				
13C6-Oxidized glutathione		0.0070	0.0040		0.3360	0.2220	0.1300	0.0660	0.4430	0.2360	0.2490	0.3620	7.7140	10.2390	10.0140	10.5440	0.3160	0.4020	0.4290	0.3640	10.0020	10.6160	10.5940	10.5960	0.0390	0.0970	0.0460	0.0850	0.1120	0.0860	0.0770	0.1270	0.0148	0.0050	0.0070	0.0030	0.0760	0.1000	0.0800	0.1060	0.0390	0.0230	0.0490	0.0350	0.0304	0.0140	0.0110	0.0070	3.0540	3.7890	3.7670	3.7410	3.4320	3.9850	3.6270	3.7400	3.7870	3.3610	3.1010	2.2650	2.5840	2.2420	2.6630	3.0780	1.4750	1.5340	1.3820	1.2380
13C6-UDP-N-acetylglucosamine			0.0220	0.0030					0.0130	0.0230	0.0160	0.0210					0.0140	0.0260	0.0200	0.0280					0.0520	0.0410	0.0150	0.0700	0.0240	0.0130	0.0260	0.0040	0.0090	0.0170	0.0190		0.0240	0.0220	0.0120	0.0080	0.0300	0.0280	0.0270	0.0150	0.0160	0.0140	0.0170	0.0070																				
13C7-Oxidized glutathione									0.1220	0.0990	0.0710	0.1080					0.1240	0.1750	0.1650	0.1350					0.0100	0.0040	0.0190	0.0120	0.0860	0.0270	0.0040	0.0330			0.0040	0.0030	0.0160	0.0140	0.0070	0.0080	0.0080	0.0040	0.0090	0.0270	0.0060		0.0060																					
13C8-N-Acetylglucosamine 1-phosphate/13C8-N-Acetyl-glucosamine 6-phosphate	0.0280	0.1100	0.0190	0.0820					0.1010	0.0550	0.0890	0.0550					0.0570	0.0690	0.0680	0.0820					0.0840	0.0160	0.0610	0.0290	0.0410	0.0120	0.0400	0.0330		0.0080	0.0050	0.0040	0.0830	0.0130	0.0090	0.0130	0.0160	0.0100	0.0140	0.0250	0.0050	0.0090	0.0070	0.0060																				
13C8-Oxidized glutathione			0.0030		0.1760	0.1050	0.0240	0.0120	0.1230	0.0920	0.0830	0.1260	19.0050	24.5180	25.3830	26.1110	0.1550	0.1520	0.1950	0.2200	22.3070	23.4610	23.3910	21.3290	0.0100	0.0040	0.0080	0.0030	0.0230	0.0180	0.0290	0.0300	0.0190	0.0090	0.0090	0.0030	0.0030	0.0030	0.0360	0.0650	0.0090	0.0120	0.0050	0.0050	0.0030	0.0060	0.0120		7.1510	9.3340	9.7480	9.9520	11.6060	14.2110	11.8350	13.2410	12.8950	11.1580	10.4660	6.2880	6.0180	5.5830	5.9060	9.8290	3.4860	3.0690	3.3280	2.6210
13C8-UDP-N-acetylglucosamine	0.0620	0.0210	0.0130	0.0070					0.0570	0.0240	0.0300	0.0770					0.0790	0.0920	0.0460	0.0470					0.0100	0.0360	0.0410	0.0300	0.0390	0.0160	0.0170	0.0270	0.0080	0.0180	0.0060	0.0080	0.0810	0.0080	0.0250	0.0620	0.0250	0.0140	0.0270	0.0220	0.0040	0.0140	0.0070	0.0060																				
2-Oxoglutaric acid	9.5720	9.9510	11.1080	8.0210	18.2160	25.5550	18.9190	18.6300	3.9030	0.1090	10.2140	11.8600	13.8150	15.1840	11.2660	12.5900	4.8350	5.8660	5.5310	6.4870	9.8700	13.0790	12.3000	10.2520	11.7010	10.9990	8.2260	10.6590	6.8640	6.9790	8.5670	7.0090	5.7290	4.5350	5.1360	5.2750	6.4510	6.7010	9.2770	6.1010	4.9230	6.5100	5.6130	6.4400	5.5590	5.6490	5.8300	3.9030	18.3800	21.4080	20.2540	15.5730	5.4880	5.7590	4.8780	5.6260	6.3960	5.5350	4.6900	5.9310	5.7790	4.6680	6.4760	5.3700	1.9990	2.1350	2.1360	2.3650
Acetyl-CoA	1.9980	0.9960	1.8700	0.8290	1.3910	1.5820	1.9950	1.3110	0.2960	0.0940	0.1140	0.2260	0.7500	0.9820	0.7790	1.2090	0.1450	0.1240	0.1480	0.1520	1.5990	1.2900	1.2660	1.0320	0.2370	0.4540	0.2570	0.7990	0.3560	0.2670	0.2700	0.1930	0.2300	0.3090	0.3340	0.2630	0.1170	0.1680	0.2230	0.0810	0.7950	1.1070	1.1200	1.0610	0.4180	0.5900	0.3880	0.3130	0.4830	0.5870	0.5410	0.5210	0.6300	0.8960	0.2200	0.4660	0.5000	0.4110	0.4260	0.2790	0.6160	0.7870	0.7360	0.3500	1.1700	1.0790	0.7650	0.9170
Aspartic acid	430.2030	427.5060	497.9090	433.4830	304.0130	438.0800	374.5100	318.6690	88.1850	83.9680	74.8570	102.9590	54.2090	68.6780	57.0250	89.9310	72.3770	77.8090	68.9020	90.4420	66.4590	74.4880	76.7850	86.0050	214.3530	251.5680	247.6050	238.2060	228.7940	194.4660	202.5950	236.1470	316.4180	278.6130	302.3800	295.0380	160.4540	171.4930	212.1310	207.4220	222.6000	244.9670	226.5350	205.8390	556.5600	486.9460	536.4630	510.4310	78.7860	86.4870	92.3710	99.5220	57.1300	61.3030	52.3980	55.2930	53.7290	46.0500	44.1900	34.5160	41.9820	38.3020	46.3670	54.1770	54.6640	56.4720	54.6410	59.6360
cis-Aconitic acid	1.3240	1.2420	1.6430	1.4140	3.3850	4.2370	3.7060	4.0200	0.3630	0.5260	0.4350	0.5380	2.1670	2.0480	1.8710	2.6860	0.5300	0.3350	0.3370	0.5130	2.4870	2.5750	2.4460	2.6900	0.6470	0.5650	0.4640	0.5730	0.9220	0.7640	0.7920	0.8250	0.5280	0.3950	0.5500	0.4710	0.7940	0.9310	0.9590	0.5770	0.6070	0.4830	0.3390	0.4380	0.4650	0.4030	0.5020	0.5180	1.4740	1.5950	1.5520	2.0090	0.4720	0.5990	0.5650	0.5580	0.8140	0.6330	0.6510	1.0700	1.2040	1.1760	1.3780	0.8490	0.9510	0.9800	0.8370	1.2730
Citric acid/Isocitric acid	31.3770	30.9360	35.0050	23.4130	54.6490	101.0020	83.7820	92.2910	10.2880	16.1110	14.4010	19.1580	98.8810	94.0320	75.8020	111.0180	9.2050	11.1640	12.4880	11.4240	65.6700	74.4880	67.9690	67.0150	15.4290	19.3850	15.2090	17.4420	46.7760	38.3560	43.4290	53.0520	30.4170	22.2770	20.7540	22.3400	36.7780	39.1250	41.9930	27.7840	36.5700	29.1950	20.5650	24.7510	28.5820	19.8780	21.6520	24.6560	53.6090	55.8740	58.7730	57.5010	30.7690	33.0670	30.4900	26.0460	33.3630	34.7590	27.2890	43.3010	60.6560	51.7100	69.4210	39.8420	23.3400	23.9770	24.2060	35.5310
Fructose 1_6-bisphosphate	0.0730	0.0810	0.0580	0.0620					0.0630	0.0470	0.0620	0.1080					0.0520	0.0570	0.0540	0.0640					0.0510	0.0550	0.0570	0.0800	2.5360	2.0580	2.5590	3.3050	3.1840	2.6700	2.4760	2.9820	2.3320	2.8510	2.4920	2.6380	16.6070	18.3220	16.1360	18.8790	0.7280	0.7090	0.5540	0.5300																				
Fumaric acid	16.9140	13.8850	18.0710	15.8790	15.5080	13.4960	14.1570	13.4820	6.0180	9.8300	10.3400	11.1430	5.7360	5.7460	5.2920	7.5670	8.7130	8.3220	6.5210	7.4800	6.2450	5.7890	6.9320	6.8390	16.7750	17.3160	15.0230	17.5220	5.7200	6.0850	4.8440	6.4160	4.7950	3.6880	4.1320	4.3670	5.4810	5.9060	7.4210	5.1540	4.5700	5.0070	3.8850	3.8330	3.6450	5.5560	5.4030	4.7320	4.9110	6.8610	5.2240	5.8240	3.5000	4.8760	2.6880	3.3130	4.4060	3.3250	3.7760	3.0370	2.9610	3.3500	3.2690	3.5910	1.2610	1.1200	1.0260	1.2930
Glucosamine 6-phosphate	0.3810	0.3790	0.2960	0.2600	0.2730	0.3600	0.3840	0.2640	0.2470	0.1080	0.1690	0.2680	0.1150	0.1970	0.1440	0.1610	0.1650	0.1410	0.0900	0.1330	0.2350	0.2040	0.2870	0.2140	0.1830	0.2220	0.1200	0.1870	0.1440	0.1350	0.0420	0.0840	0.2040	0.1710	0.1270	0.1680	0.0710	0.0780	0.1350	0.1010	0.2970	0.2900	0.1750	0.2200	0.0610	0.0770	0.0450	0.0590	0.2270	0.2600	0.1930	0.1580	0.0500	0.0970	0.0550	0.1020	0.0490	0.0540	0.0590	0.0460	0.0260	0.0650	0.0570	0.0700	0.1100	0.1460	0.1160	0.0860
Glucose	4.6700	6.1020	0.4440	4.8220					3.1440	2.3620	2.2330	1.1930					3.3940	2.2190	0.2630	2.6860					4.4220	3.1260	3.4220	1.6390	0.0760	0.1280	0.0800	0.0570	0.1510	0.1380	0.2050	0.2640	0.1110	0.1850	0.2140	0.2930	0.5140	0.7180	0.3320	0.6950	0.1540	0.0860	0.2110	0.1410																				
Glucose 6-phosphate/Fructose 6-phosphate	39.0980	30.8150	49.4120	38.2490					29.5580	19.5930	23.5360	29.4540					17.5670	17.9300	13.3500	20.3320					19.3640	18.8400	17.9910	19.6220	2.5100	2.7020	2.7210	3.2780	346.0620	320.3430	363.9640	355.0000	3.3910	4.2360	4.4100	4.3020	11.6010	13.6240	11.9600	12.3760	1.5410	1.5800	1.3250	1.2430																				
Glutamic acid	2218.4230	2326.3160	2110.4260	2248.5490	2880.1270	3141.7840	3011.5230	2635.1440	495.6320	668.3340	678.7920	834.0980	640.2710	752.2580	758.0160	731.8510	503.8300	531.1280	470.0090	543.3320	656.0400	609.9800	706.7100	642.6300	1594.7070	1742.4660	1400.3130	1534.2110	1417.2490	1306.3810	1250.0550	1320.9160	1024.6540	859.1580	874.5000	859.6420	920.8170	902.8930	1001.9020	1011.5010	836.2220	932.8890	835.2680	789.2600	1350.4270	1458.6920	1480.1220	1332.4720	619.3780	722.5060	675.7500	738.1190		0.0240		0.0410	0.0230		0.0240		0.0180	0.0220	0.0240	0.0080	0.0320	0.0490	0.0370	0.0210
Glutamine	482.9050	535.9050	638.1830	556.3420	217.8560	261.0780	261.2560	234.0990	43.8470	26.0100	22.7740	29.9750	86.2580	96.8180	99.4460	114.7390	32.5350	29.7030	23.6850	37.1970	94.0960	100.8810	113.0450	114.2150	206.0690	249.3900	149.3050	229.3240	332.3860	298.2610	308.2030	394.6570	548.4150	516.7220	507.4560	448.9240	237.6480	228.8460	403.8530	414.8430	509.9780	512.0830	552.4160	565.7420	314.0070	213.0830	251.4270	239.2150	57.6300	64.0090	63.4110	72.1530	25.8210	29.7230	22.5850	33.1760	24.9710	22.0950	21.2810	28.9420	32.3340	28.4640	32.4830	27.5200	41.1960	41.2460	45.8010	37.7360
Glutathione	489.0340	624.8170	880.8190	754.5390	589.5640	792.0830	808.2210	682.6860	169.8380	235.5210	258.1950	298.4510	190.0480	221.4980	202.3690	234.4400	108.9170	125.1700	137.8040	129.2030	134.8930	136.6590	132.2410	129.3520	661.7000	800.4450	653.7880	706.5440	426.4460	442.0220	420.2770	539.1490	115.3540	132.5560	112.7000	120.9870	324.7670	380.4640	425.4990	403.3200	206.7000	228.1890	229.6990	207.7330	485.7600	483.3700	515.7800	403.4140	509.2870	519.1340	535.6790	519.7240	169.5920	200.6290	177.0680	165.8790	178.0730	161.6160	144.5870	160.0950	192.4760	220.1120	254.3720	182.6670	80.4420	70.5900	70.6010	66.6520
Glyceraldehyde 3-phosphate/Dihydroxyacetone phosphate	4.0080	3.4710	4.3980	3.9990					1.5840	1.9930	2.1130	2.1960					1.7220	1.9960	1.6670	1.8220					2.6920	2.6680	2.3460	2.5270	1.8430	1.7840	2.0210	1.8380	0.4090	0.4490	0.4590	0.2100	1.0590	0.9600	1.3610	0.7680	2.5910	6.3360	4.7460	6.0740	0.6170	0.4300	0.4050	0.7240																				
Itaconic acid					0.5320	0.5080	0.3810	0.4010					0.4930	0.6670	0.7230	0.3550					0.4490	0.3760	0.7610	0.3360																									0.4140	0.6240	0.3770	0.6260	0.4990	0.3520	0.2070	0.5870	0.3580	0.3230	0.2760	0.3380	0.3230	0.2320	0.2170	0.2970	0.3960	0.2860	0.7950	0.2640
Lactic acid	84.9370	88.1810	94.6530	119.3820	32.7400	27.5460	36.4210	35.2990	63.8520	65.1270	59.3150	64.7730	71.5310	82.8880	84.8420	86.2100	56.3560	48.0380	46.3860	51.8170	73.0400	52.8450	73.2300	83.2530	100.0320	109.9930	73.5400	84.7850	11.6300	10.9160	12.9320	12.0770	4.9170	4.2220	5.0750	5.4130	10.9170	11.5840	13.4820	12.4200	6.4190	8.3220	8.4160	8.4610	4.3790	6.1990	5.8950	5.2410	49.2060	58.8710	48.0790	44.8770	30.9490	36.4100	40.3370	33.8060	32.5950	28.9580	28.1030	27.3810	25.7910	26.4040	31.3950	26.4170	19.2570	18.9020	18.9850	25.2580
Malic acid	433.8790	444.5580	553.5130	443.9150	402.4790	524.3680	473.6070	428.9770	173.9200	271.0200	281.0330	348.6270	223.0080	238.2150	238.5320	290.2600	201.6730	234.1020	195.0170	225.0850	196.7460	179.4750	202.6280	214.6690	470.1280	537.9860	420.0940	488.5250	282.8140	217.1340	252.7050	301.9240	124.3760	135.0110	139.1810	134.7830	211.1810	231.6860	257.2790	234.9500	199.6330	170.4700	168.9520	180.5830	175.6870	131.5680	134.4390	117.5090	198.1630	213.0060	207.2680	212.8660	114.2610	127.2510	114.2810	105.7350	107.9690	106.7110	97.2960	74.0270	88.3570	78.2520	99.4690	100.6830	34.0050	35.2950	27.2910	43.8000
N-Acetylglucosamine	0.1880	0.1600	0.3800	0.3350	0.2790	0.3200	0.2370	0.1970	0.1000	0.0810	0.0820	0.1340	0.3471	0.4510	0.4370	0.4860	0.1000	0.0980	0.1370	0.1450	0.4790	0.5130	0.4760	0.3680	0.1480	0.1300	0.1370	0.1250	0.0700	0.0700	0.0780	0.0810	0.1140	0.1380	0.1400	0.1320	0.0750	0.0990	0.1060	0.1360	0.1010	0.1150	0.1090	0.1050	0.2260	0.1120	0.1390	0.1160	0.2890	0.3410	0.2120	0.2760	0.1720	0.2100	0.2470	0.2400	0.2430	0.1910	0.1510	0.1590	0.1710	0.1570	0.1610	0.1870	0.1630	0.1900	0.2180	0.1560
N-Acetylglucosamine 1-phosphate/N-Acetyl-glucosamine 6-phosphate	2.9420	3.3370	3.7530	2.8510	3.2120	3.0310	2.9990	2.6350	1.7470	2.3690	2.1820	2.5280	7.5040	6.7840	7.3020	8.9930	1.3700	1.5360	1.5320	1.5030	7.1720	6.6280	7.3940	6.8460	2.2260	2.3410	2.3650	2.3660	2.5800	2.2010	2.2410	2.5830	1.5600	1.6940	1.7060	1.6500	1.2190	1.4820	1.2490	1.0820	4.0340	4.2480	4.3410	4.4200	2.1900	1.9380	1.8100	1.3690	3.1590	3.1150	3.7480	2.8660	2.8750	3.5900	3.1750	2.7020	3.0090	2.7500	2.3220	2.2480	3.0420	2.6500	3.3930	2.5890	2.3520	2.3100	1.8870	1.9390
Oxaloacetic acid	1.7890	1.3280	2.0850	1.7620	1.8590	0.5380	0.9020	1.0820	0.3260	0.3000	0.1900	0.1070	0.1840	0.2620	0.5400	0.1770	0.1970	0.1950	0.1290	0.1640	0.3320	0.1290	0.2850	0.2390	0.4720	0.5060	0.4180	0.1800	0.3330	0.2890	0.3420	0.1730	0.2260	0.1790	0.1540	0.1150	0.1410	0.1490	0.2490	0.2790	0.4120	0.3470	0.3390	0.2850	0.3240	0.3040	0.3750	0.3390	0.7740	1.1880	0.5000	0.6400	0.1580	0.0900	0.0770	0.3940	0.3960	0.2720	0.1130	0.4330	0.6300	0.5580	0.3160	0.4420	0.1250	0.2120	0.1860	0.1340
Oxidized glutathione	645.9170	567.5720	679.8860	550.5470	372.9390	498.9240	453.0150	419.1720	83.2860	110.5930	101.5020	122.5080	41.9370	47.0860	44.2990	38.5150	39.4210	45.8060	43.1870	35.2930	21.3850	22.5220	21.2580	20.2280	412.1390	459.5750	366.3070	399.7020	182.3990	145.5510	147.6360	185.4670	36.0880	41.2400	36.9510	43.4070	120.2020	126.0640	149.0480	139.5610	77.1440	73.1550	80.9960	79.5570	210.4310	221.6640	256.5980	229.7730	211.5650	230.1320	201.5890	201.8080	28.2500	29.1650	25.2950	27.7430	26.7620	21.6520	18.4130	30.5030	47.3790	45.3950	48.3880	27.5680	14.5650	13.1850	13.4680	12.0280
Phosphoenolpyruvic acid	5.8100	5.2010	5.8130	5.0420					1.7560	1.8570	1.5670	2.2420					1.3070	1.4550	1.3530	2.7470					2.6410	2.5270	2.4110	2.9310	1.6970	1.6170	1.4170	1.6010	1.1660	1.1050	1.0590	0.8760	2.4260	2.7370	2.6590	3.0020	2.6440	4.0270	3.7900	4.5400	2.8250	1.8380	2.1720	1.6470																				
Phosphoglyceric acid	8.9230	8.8300	12.0430	8.4960					3.7320	3.2560	2.7720	4.6200					3.4850	3.8500	3.4880	5.6370					3.8830	3.9970	4.1550	5.7820	2.1990	2.6780	2.3820	2.3670	1.5470	1.3380	1.3060	1.0720	5.0290	4.9350	5.9310	4.5450	77.1440	83.2220	80.9960	82.7140	4.1230	2.8600	3.3800	2.4920																				
Succinic acid	56.1350	56.6350	76.7080	67.2250	44.0630	53.9860	44.6580	39.5880	26.4550	36.4550	37.6820	48.2210	23.9140	26.6770	28.0950	29.5220	30.9180	33.2890	26.8230	31.0770	20.5960	16.3050	17.7030	18.5080	76.0070	84.0740	62.4110	74.1270	42.9620	32.2120	33.8920	43.1320	17.8510	20.1900	18.8450	19.3680	20.5670	22.7140	27.7070	23.4950	21.3180	22.7520	20.4390	22.4780	40.3160	30.0320	30.2490	27.9080	18.7630	23.5480	20.5380	19.5360	9.7170	11.3320	11.0670	9.2640	8.6990	8.0140	7.9460	6.6000	8.3100	7.0010	9.0140	8.0070	7.3130	5.8920	6.1700	7.7180
Succinyl-CoA	0.2980	0.1180	0.3200	0.1040	0.1610	0.2640	0.2700	0.1720	0.0410	0.0610	0.0390	0.1110	0.2040	0.1650	0.1200	0.1800	0.0170	0.0490	0.0260	0.0310	0.0960	0.1000	0.1360	0.1440	0.1390	0.1480	0.1720	0.2190	0.2130	0.1340	0.1470	0.1710	0.1510	0.1310	0.1630	0.0900	0.1280	0.1470	0.1600	0.0930	0.0910	0.1050	0.0460	0.1120	0.1190	0.1860	0.1870	0.1770	0.1460	0.2010	0.1460	0.1740	0.1690	0.1150	0.0940	0.0970	0.1270	0.0770	0.0640	0.0730	0.1890	0.1480	0.1410	0.1140	0.1630	0.1770	0.0980	0.0870
UDP-N-acetylglucosamine	362.7920	334.9410	459.9970	350.0320	331.0910	449.1420	389.9540	339.5050	29.8850	13.2440	11.9900	16.0950	185.1390	206.1740	169.6840	236.9210	9.6970	9.4720	9.4120	10.8800	169.7670	191.7920	201.2060	205.7240	83.1530	99.5380	86.1520	100.1270	51.7960	43.3070	44.8830	53.0520	86.3540	81.0060	79.4440	73.7590	42.2910	45.3150	56.7130	51.8550	77.7330	85.9060	75.3010	79.5570	61.2280	55.2730	55.3910	42.3870	194.3330	203.3720	209.1610	204.5720	115.6100	130.9660	117.4430	91.6700	98.7590	99.1840	87.6050	82.0540	116.5360	108.4540	128.9990	105.4770	159.6650	154.0150	163.1530	139.8200
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
13C10-Oxidized glutathione									
13C11-UDP-N-acetylglucosamine									
13C13-UDP-N-acetylglucosamine									
13C2-2-Oxoglutaric acid									
13C2-Acetyl-CoA									
13C2-Aspartic acid									
13C2-cis-Aconitic acid									
13C2-Citric acid/Isocitric acid									
13C2-Fumaric acid									
13C2-Glutamic acid									
13C2-Glutamine									
13C2-Glutathione									
13C2-Itaconic acid									
13C2-Malic acid									
13C2-N-Acetylglucosamine 1-phosphate/13C6-N-Acetyl-glucosamine 6-phosphate									
13C2-Oxaloacetic acid									
13C2-Succinic acid									
13C2-Succinyl-CoA									
13C2-UDP-N-acetylglucosamine									
13C3-2-Oxoglutaric acid									
13C3-Aspartic acid									
13C3-cis-Aconitic acid									
13C3-Citric acid/Isocitric acid									
13C3-Fumaric acid									
13C3-Glutamic acid									
13C3-Glutamine									
13C3-Glutathione									
13C3-Glyceraldehyde 3-phosphate/13C3-Dihydroxyacetone phosphate									
13C3-Itaconic acid									
13C3-Lactic acid									
13C3-Malic acid									
13C3-Oxaloacetic acid									
13C3-Phosphoenolpyruvic acid									
13C3-Phosphoglyceric acid									
13C3-Succinic acid									
13C3-Succinyl-CoA									
13C4-2-Oxoglutaric acid									
13C4-Aspartic acid									
13C4-cis-Aconitic acid									
13C4-Citric acid/Isocitric acid									
13C4-Fumaric acid									
13C4-Glutamic acid									
13C4-Glutamine									
13C4-Glutathione									
13C4-Itaconic acid									
13C4-Malic acid									
13C4-Oxaloacetic acid									
13C4-Oxidized glutathione									
13C4-Succinic acid									
13C4-Succinyl-CoA									
13C5-2-Oxoglutaric acid									
13C5-cis-Aconitic acid									
13C5-Citric acid/Isocitric acid									
13C5-Glutamic acid									
13C5-Glutamine									
13C5-Glutathione									
13C5-Oxidized glutathione									
13C6-cis-Aconitic acid									
13C6-Citric acid/Isocitric acid									
13C6-Fructose 1,6-bisphosphate									
13C6-Glucosamine 6-phosphate									
13C6-Glucose									
13C6-Glucose 6-phosphate/13C6-Fructose 6-phosphate									
13C6-N-Acetylglucosamine 1-phosphate/13C6-N-Acetyl-glucosamine 6-phosphate									
13C6-Oxidized glutathione									
13C6-UDP-N-acetylglucosamine									
13C7-Oxidized glutathione									
13C8-N-Acetylglucosamine 1-phosphate/13C8-N-Acetyl-glucosamine 6-phosphate									
13C8-Oxidized glutathione									
13C8-UDP-N-acetylglucosamine									
2-Oxoglutaric acid									
Acetyl-CoA									
Aspartic acid									
cis-Aconitic acid									
Citric acid/Isocitric acid									
Fructose 1,6-bisphosphate									
Fumaric acid									
Glucosamine 6-phosphate									
Glucose									
Glucose 6-phosphate/Fructose 6-phosphate									
Glutamic acid									
Glutamine									
Glutathione									
Glyceraldehyde 3-phosphate/Dihydroxyacetone phosphate									
Itaconic acid									
Lactic acid									
Malic acid									
N-Acetylglucosamine									
N-Acetylglucosamine 1-phosphate/N-Acetyl-glucosamine 6-phosphate									
Oxaloacetic acid									
Oxidized glutathione									
Phosphoenolpyruvic acid									
Phosphoglyceric acid									
Succinic acid									
Succinyl-CoA									
UDP-N-acetylglucosamine									
METABOLITES_END
#END