#METABOLOMICS WORKBENCH cararolopes_20250320_104634 DATATRACK_ID:5758 STUDY_ID:ST003891 ANALYSIS_ID:AN006392 PROJECT_ID:PR002436
VERSION             	1
CREATED_ON             	May 1, 2025, 11:45 am
#PROJECT
PR:PROJECT_TITLE                 	Respiration defects limit serine synthesis required for lung cancer growth and
PR:PROJECT_TITLE                 	survival
PR:PROJECT_SUMMARY               	Mitochondrial function supports energy and anabolic metabolism. Pathogenic
PR:PROJECT_SUMMARY               	mitochondrial DNA (mtDNA) mutations impair these processes, causing
PR:PROJECT_SUMMARY               	mitochondrial diseases. Their role in human cancers is less clear; while some
PR:PROJECT_SUMMARY               	cancers harbor high mtDNA mutation burden, others do not. Here we show that a
PR:PROJECT_SUMMARY               	proofreading mutant of DNA polymerase gamma (PolGD256A) increases the mtDNA
PR:PROJECT_SUMMARY               	mutation burden in non-small-cell lung cancer (NSCLC). This mutation promotes
PR:PROJECT_SUMMARY               	the accumulation of defective mitochondria, reduces tumor cell proliferation and
PR:PROJECT_SUMMARY               	viability, and improves cancer survival. In NSCLC, pathogenic mtDNA mutations
PR:PROJECT_SUMMARY               	enhance glycolysis and create a glucose dependency to support mitochondrial
PR:PROJECT_SUMMARY               	energy, but at the expense of a lower NAD⁺/NADH ratio that hinders de novo
PR:PROJECT_SUMMARY               	serine synthesis. Thus, mitochondrial function in NSCLC is essential for
PR:PROJECT_SUMMARY               	maintaining adequate serine synthesis, which in turn supports the anabolic
PR:PROJECT_SUMMARY               	metabolism and redox homeostasis required for tumor growth, explaining why these
PR:PROJECT_SUMMARY               	cancers preserve functional mtDNA.
PR:INSTITUTE                     	Rutgers University
PR:DEPARTMENT                    	Rutgers Cancer Institute
PR:LABORATORY                    	Eileen White
PR:LAST_NAME                     	Cararo Lopes
PR:FIRST_NAME                    	Eduardo
PR:ADDRESS                       	195 Little Albany Street
PR:EMAIL                         	edu.llopes@gmail.com
PR:PHONE                         	732-235-5795
PR:FUNDING_SOURCE                	NIH
PR:PUBLICATIONS                  	Respiration defects limit serine synthesis required for lung cancer growth and
PR:PUBLICATIONS                  	survival
#STUDY
ST:STUDY_TITLE                   	Respiration defects limit serine synthesis required for lung cancer growth and
ST:STUDY_TITLE                   	survival - Effect of Polg mutation in NSCLC Tissues_Plasma
ST:STUDY_TYPE                    	In vivo Isotope Tracing
ST:STUDY_SUMMARY                 	This study investigates the impact of mtDNA mutation burden induced by the
ST:STUDY_SUMMARY                 	PolGD256A mutation in NSCLC. Using in vivo, we characterized the metabolic
ST:STUDY_SUMMARY                 	profile of NSCLC harboring this mutation compared to controls after submitting
ST:STUDY_SUMMARY                 	the animals to 12 weeks of special diet and 2h30 of [U-13C]D-Glucose infusion.
ST:INSTITUTE                     	Rutgers University
ST:DEPARTMENT                    	Rutgers Cancer Institute
ST:LABORATORY                    	Eileen White
ST:LAST_NAME                     	Lopes
ST:FIRST_NAME                    	Eduardo
ST:ADDRESS                       	195 Little Albany Street
ST:EMAIL                         	edu.llopes@gmail.com
ST:PHONE                         	732-235-5795
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENDER                        	Male and female
#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           	-	AA_4828_Bl_woSG_PolG_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4828_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AA_4829_Bl_woSG_PolG_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4829_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AA_4891_Bl_woSG_PolG_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4891_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AA_4894_Bl_C_PolG_Control	Diet:Control | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4894_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AA_4946_Bl_C_PolG_Control	Diet:Control | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4946_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AA_4954_Bl_woSG_PolG_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4954_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AA_4984_Bl_woSG_PolG_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4984_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AA_4993_Bl_C_PolG_Control	Diet:Control | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4993_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AA_4996_Bl_C_PolG_Control	Diet:Control | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4996_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AA_4997_Bl_C_PolG_Control	Diet:Control | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_4997_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AA_5009_Bl_woSG_PolG_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_5009_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AA_5098_Bl_C_PolG_Control	Diet:Control | Sample source:Plasma | Genotype:PolG	RAW_FILE_NAME(Raw)=AA_5098_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AAK_4830_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4830_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AAK_4835_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4835_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AAK_4837_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4837_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AAK_4838_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4838_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AAK_4840_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4840_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AAK_4891_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4891_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AAK_4896_Bl_C__PGKP_Control	Diet:Control | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4896_Bl_C_
SUBJECT_SAMPLE_FACTORS           	-	AAK_4898_Bl_C_PGKP_Control	Diet:Control | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4898_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AAK_4900_Bl_C_PGKP_Control	Diet:Control | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4900_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AAK_4942_Bl_C_PGKP_Control	Diet:Control | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4942_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AAK_4992_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_4992_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	AAK_5004_Bl_C_PGKP_Control	Diet:Control | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_5004_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AAK_5005_Bl_C_PGKP_Control	Diet:Control | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_5005_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AAK_5013_Bl_C_PGKP_Control	Diet:Control | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_5013_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	AAK_5359_Bl_woSG_PGKP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	RAW_FILE_NAME(Raw)=AAK_5359_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	KP_3327_Bl_woSG_KP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_3327_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	KP_3370_Bl_woSG_KP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_3370_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	KP_3371_Bl_woSG_KP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_3371_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	KP_3425_Bl_woSG_KP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_3425_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	KP_3430_Bl_woSG_KP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_3430_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	KP_5020_Bl_C_KP_Control	Diet:Control | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_5020_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	KP_5021_Bl_C_KP_Control	Diet:Control | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_5021_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	KP_5022_Bl_C_KP_Control	Diet:Control | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_5022_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	KP_5155_Bl_C_KP_Control	Diet:Control | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_5155_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	KP_5156_Bl_C_KP_Control	Diet:Control | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_5156_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	KP_5167_Bl_woSG_KP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_5167_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	KP_5169_Bl_woSG_KP_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	RAW_FILE_NAME(Raw)=KP_5169_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	wt_5015_Bl_C_wt_Control	Diet:Control | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5015_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	wt_5017_Bl_C_wt_Control	Diet:Control | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5017_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	wt_5018_Bl_C_wt_Control	Diet:Control | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5018_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	wt_5019_Bl_C_wt_Control	Diet:Control | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5019_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	wt_5103_Bl_woSG_wt_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5103_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	wt_5104_Bl_woSG_wt_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5104_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	wt_5105_Bl_woSG_wt_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5105_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	wt_5106_Bl_C_wt_Control	Diet:Control | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5106_Bl_C
SUBJECT_SAMPLE_FACTORS           	-	wt_5107_Bl_woSG_wt_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5107_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	wt_5108_Bl_woSG_wt_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5108_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	wt_5109_Bl_woSG_wt_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_5109_Bl_woSG
SUBJECT_SAMPLE_FACTORS           	-	wt_6542_Bl_woSG_wt_Ser/Gly free	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	RAW_FILE_NAME(Raw)=wt_6542_Bl_woSG
#COLLECTION
CO:COLLECTION_SUMMARY            	Extraction of polar metabolites from plasma:To extract polar metabolites from
CO:COLLECTION_SUMMARY            	mouse plasma 40 µL of cold methanol was added to a 15 µL of mouse plasma in a
CO:COLLECTION_SUMMARY            	1.5 mL microtube. This mixture was vortexed for 10 seconds and incubated for 20
CO:COLLECTION_SUMMARY            	minutes in a -20° C freezer. Samples were centrifuged for 10 min at 16,000g at
CO:COLLECTION_SUMMARY            	4° C. Next, supernatant A was collected in a new tube, and the pellet was saved
CO:COLLECTION_SUMMARY            	for re-extraction. For re-extraction, the pellet was resuspended in 200 µL of
CO:COLLECTION_SUMMARY            	40:40:20 buffer, vortexed, and allowed to sit on ice for 10 min. The samples
CO:COLLECTION_SUMMARY            	were centrifuged for 10 min at 16,000 g at 4° C. Supernatant B was collected
CO:COLLECTION_SUMMARY            	and mixed with supernatant A. This mixture was further processed to remove
CO:COLLECTION_SUMMARY            	phospholipids using 1 mL Phenomenex (Phenomenex Inc.) tubes according to the
CO:COLLECTION_SUMMARY            	manufacturer's instruction and stored at -80° C until analysis by LC-MS.
CO:SAMPLE_TYPE                   	Blood (plasma)
CO:VOLUMEORAMOUNT_COLLECTED      	1mL of organic phase of metabolites extraction
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	1.5 mL Eppendorf tubes
CO:STORAGE_VIALS                 	1.5 mL Eppendorf tubes
#TREATMENT
TR:TREATMENT_SUMMARY             	Plasma were collected from animals with and without NSCLC
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Extraction of polar metabolites from plasma:To extract polar metabolites from
SP:SAMPLEPREP_SUMMARY            	mouse plasma 40 µL of cold methanol was added to a 15 µL of mouse plasma in a
SP:SAMPLEPREP_SUMMARY            	1.5 mL microtube. This mixture was vortexed for 10 seconds and incubated for 20
SP:SAMPLEPREP_SUMMARY            	minutes in a -20° C freezer. Samples were centrifuged for 10 min at 16,000g at
SP:SAMPLEPREP_SUMMARY            	4° C. Next, supernatant A was collected in a new tube, and the pellet was saved
SP:SAMPLEPREP_SUMMARY            	for re-extraction. For re-extraction, the pellet was resuspended in 200 µL of
SP:SAMPLEPREP_SUMMARY            	40:40:20 buffer, vortexed, and allowed to sit on ice for 10 min. The samples
SP:SAMPLEPREP_SUMMARY            	were centrifuged for 10 min at 16,000 g at 4° C. Supernatant B was collected
SP:SAMPLEPREP_SUMMARY            	and mixed with supernatant A. This mixture was further processed to remove
SP:SAMPLEPREP_SUMMARY            	phospholipids using 1 mL Phenomenex (Phenomenex Inc.) tubes according to the
SP:SAMPLEPREP_SUMMARY            	manufacturer's instruction and stored at -80° C until analysis by LC-MS.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Plasma
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters XBridge BEH Amide (150 × 2.1mm, 2.5um)
CH:SOLVENT_A                     	95% water/5% acetonitrile; 20mM acetic acid; 40mM ammonium hydroxide (pH 9.4)
CH:SOLVENT_B                     	20% water/80% acetonitrile; 20mM acetic acid, 40mM ammonium hydroxide (pH 9.4)
CH:FLOW_GRADIENT                 	0 min, 100% B; 3 min, 100% B; 3.2 min, 90% B; 6.2 min, 90% B; 6.5 min, 80% B;
CH:FLOW_GRADIENT                 	10.5 min, 80% B; 10.7 min, 70% B; 13.5 min, 70% B; 13.7 min, 45% B; 16 min, 45%
CH:FLOW_GRADIENT                 	B; 16.5 min, 100% B; and 22 min, 100% B
CH:FLOW_RATE                     	300 μL/min
CH:COLUMN_TEMPERATURE            	25 °C
CH:METHODS_FILENAME              	Chromatography_method.pdf
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Maven
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	ion count
MS_METABOLITE_DATA_START
Samples	AA_4828_Bl_woSG_PolG_Ser/Gly free	AA_4829_Bl_woSG_PolG_Ser/Gly free	AA_4891_Bl_woSG_PolG_Ser/Gly free	AA_4894_Bl_C_PolG_Control	AA_4946_Bl_C_PolG_Control	AA_4954_Bl_woSG_PolG_Ser/Gly free	AA_4984_Bl_woSG_PolG_Ser/Gly free	AA_4993_Bl_C_PolG_Control	AA_4996_Bl_C_PolG_Control	AA_4997_Bl_C_PolG_Control	AA_5009_Bl_woSG_PolG_Ser/Gly free	AA_5098_Bl_C_PolG_Control	AAK_4830_Bl_woSG_PGKP_Ser/Gly free	AAK_4835_Bl_woSG_PGKP_Ser/Gly free	AAK_4837_Bl_woSG_PGKP_Ser/Gly free	AAK_4838_Bl_woSG_PGKP_Ser/Gly free	AAK_4840_Bl_woSG_PGKP_Ser/Gly free	AAK_4891_Bl_woSG_PGKP_Ser/Gly free	AAK_4896_Bl_C__PGKP_Control	AAK_4898_Bl_C_PGKP_Control	AAK_4900_Bl_C_PGKP_Control	AAK_4942_Bl_C_PGKP_Control	AAK_4992_Bl_woSG_PGKP_Ser/Gly free	AAK_5004_Bl_C_PGKP_Control	AAK_5005_Bl_C_PGKP_Control	AAK_5013_Bl_C_PGKP_Control	AAK_5359_Bl_woSG_PGKP_Ser/Gly free	KP_3327_Bl_woSG_KP_Ser/Gly free	KP_3370_Bl_woSG_KP_Ser/Gly free	KP_3371_Bl_woSG_KP_Ser/Gly free	KP_3425_Bl_woSG_KP_Ser/Gly free	KP_3430_Bl_woSG_KP_Ser/Gly free	KP_5020_Bl_C_KP_Control	KP_5021_Bl_C_KP_Control	KP_5022_Bl_C_KP_Control	KP_5155_Bl_C_KP_Control	KP_5156_Bl_C_KP_Control	KP_5167_Bl_woSG_KP_Ser/Gly free	KP_5169_Bl_woSG_KP_Ser/Gly free	wt_5015_Bl_C_wt_Control	wt_5017_Bl_C_wt_Control	wt_5018_Bl_C_wt_Control	wt_5019_Bl_C_wt_Control	wt_5103_Bl_woSG_wt_Ser/Gly free	wt_5104_Bl_woSG_wt_Ser/Gly free	wt_5105_Bl_woSG_wt_Ser/Gly free	wt_5106_Bl_C_wt_Control	wt_5107_Bl_woSG_wt_Ser/Gly free	wt_5108_Bl_woSG_wt_Ser/Gly free	wt_5109_Bl_woSG_wt_Ser/Gly free	wt_6542_Bl_woSG_wt_Ser/Gly free
Factors	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	Diet:Control | Sample source:Plasma | Genotype:PolG	Diet:Control | Sample source:Plasma | Genotype:PolG	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	Diet:Control | Sample source:Plasma | Genotype:PolG	Diet:Control | Sample source:Plasma | Genotype:PolG	Diet:Control | Sample source:Plasma | Genotype:PolG	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PolG	Diet:Control | Sample source:Plasma | Genotype:PolG	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Control | Sample source:Plasma | Genotype:PGKP	Diet:Control | Sample source:Plasma | Genotype:PGKP	Diet:Control | Sample source:Plasma | Genotype:PGKP	Diet:Control | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Control | Sample source:Plasma | Genotype:PGKP	Diet:Control | Sample source:Plasma | Genotype:PGKP	Diet:Control | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:PGKP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	Diet:Control | Sample source:Plasma | Genotype:KP	Diet:Control | Sample source:Plasma | Genotype:KP	Diet:Control | Sample source:Plasma | Genotype:KP	Diet:Control | Sample source:Plasma | Genotype:KP	Diet:Control | Sample source:Plasma | Genotype:KP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	Diet:Ser/Gly free | Sample source:Plasma | Genotype:KP	Diet:Control | Sample source:Plasma | Genotype:wt	Diet:Control | Sample source:Plasma | Genotype:wt	Diet:Control | Sample source:Plasma | Genotype:wt	Diet:Control | Sample source:Plasma | Genotype:wt	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	Diet:Control | Sample source:Plasma | Genotype:wt	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt	Diet:Ser/Gly free | Sample source:Plasma | Genotype:wt
1-Methylhistidine_C12 PARENT	1053648	4498706	583315	5295999	887685	3220015	13220706	8978649	2722749	3576131	6390416	6589098	5743664	10295854	10421768	9798212	705924	8475348	8868879	6184499	5999572	9039831	7773865	9100671	8695607	10851538	8380324	760476	5158673	1744248	11924212	10720025	6460712	6660022	7294137	8598332	7972591	6195543	6473177	7168412	5916373	500884	6799784	10251566	11612244	10388874	1202434	7649507	6627545	7591491	10888077
1-Methylhistidine_C13-label-1	568431	406387	392453	446226	654487	192109	8964	650349	100857	203237	475772	471941	47098	837099	691424	816654	466354	537477	788305	466558	511895	676898	660405	591094	597705	766037	583126	58774	305124	95146	898578	692748	527706	485656	512231	701217	518198	523093	47751	47208	468871	35897	436437	826767	985432	8267	72079	460041	48696	608685	85932
Acetyl proline_C12 PARENT	682798	554457	681025	710395	659055	155693	875735	730392	485585	566454	673282	265363	819188	994332	592086	927248	617533	1206682	442499	569022	38036	145766	77984	804804	101809	743598	733001	181433	530929	15936	710044	431097	555098	421561	762829	814985	633342	750532	543456	6553	429148	593142	537164	441883	815785	659111	278267	708629	744975	710134	2886373
4-Pyridoxic acid_C12 PARENT	562704	228053	213918	232611	499372	291648	918708	475818	327052	96268	509783	293728	148272	479374	141682	588216	306863	72402	176333	532083	233024	705973	197498	338817	984124	124254	341471	82379	345159	103717	464948	596501	383411	330817	197277	758974	201684	581376	551124	62865	300835	545656	578296	406899	927849	48504	144401	492756	462925	828672	4727203
4-Pyridoxic acid_C13-label-5	0	981598	0	444173	135285	326441	0	115547	0	307599	279312	7746	0	1362628	0	0	0	93107	643751	0	0	98525	0	174732	0	211606	0	0	298892	104264	113088	0	707667	487659	560888	841189	41159	442339	197971	186615	0	142173	24794	0	205102	102355	0	206507	995656	125529	0
Nicotinamide_C12 PARENT	15744092	8741318	3960885	20382105	783371	9052862	46646247	6165671	11364282	11661475	5247303	13609405	28582309	71323894	16312317	7927807	9660818	40912241	64070794	25484512	14685702	91747925	48229972	26017958	7868972	19514708	1350695	8761356	328436	21952767	49821559	25409536	37031984	2581018	12432329	57284894	24201883	34373588	42627828	2961475	34255847	63022744	549929	8149369	1478013	4011169	7149695	41433225	19985812	45294884	60768869
Nicotinamide_C13-label-1	852994	639064	193295	1348145	556652	67052	3166198	361229	829046	750066	149594	1011313	1608132	5083474	1119478	695132	420344	2681287	4453196	159868	1186995	6160347	3027384	1735603	604576	1276953	963024	463708	2019434	996409	2864144	1548341	221013	1727683	864429	4132957	1515557	2388193	279781	1742235	2149305	424004	3570122	60852	1382045	289648	254365	2216966	980536	2993631	3600091
Nicotinamide_C13-label-2	0	0	0	0	0	0	75858	63079	0	0	0	0	0	130161	0	0	0	0	129627	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	91295	0	84028	0	0	95282	61687	0	0	0	0	0	61855	81983	0
2-Hydroxypyridine_C12 PARENT	5269318	5667195	5099407	6987621	5717814	3771936	5779177	524453	6068756	6265947	6368923	5427346	5624886	6387223	6853618	7132654	6031194	5349709	3917606	3623814	3292282	8965365	6780426	5870029	7494551	7707102	6590798	2249089	6321698	3495664	6012894	660639	6845546	5386335	5882846	6341744	5838124	5180837	6137551	6525304	5694093	5929515	6101889	5326917	5371547	4568416	6384681	6419184	5625783	6570224	622895
2-Hydroxypyridine_C13-label-1	20785	268312	251468	28297	250953	320683	217786	214486	453236	514233	353555	283229	176265	466066	401009	462607	216206	186761	22443	268372	2327	585701	38524	337967	238434	306996	143791	104655	309693	19843	345622	175666	299847	340765	340164	176638	472324	317028	525316	30477	256051	113908	303304	142149	150681	238657	425888	392709	235188	20726	456975
Acetyl-tryptophan_C12 PARENT	70329	787771	496979	80852	1218412	412242	710461	1041044	917687	982376	81636	714976	496297	1067831	1038713	764348	606783	841921	73508	1174526	1392733	719819	972437	92264	965896	1109426	632644	65899	982424	424276	1177164	1533044	67357	838246	810325	827841	944615	889811	544327	722024	735863	676193	616772	730604	841815	752471	320106	656469	682817	1045295	1178812
Acetyl-tryptophan_C13-label-1	6913	88804	0	86743	83809	0	0	119356	71289	66626	0	63425	0	7668	75159	8452	52742	207684	72998	68517	198973	0	112575	0	192277	78574	7027	0	69962	66448	174895	123869	0	62087	68712	85867	98325	67888	63979	0	63674	93199	57133	123183	0	0	0	82889	66006	70249	76877
Acetyl-tryptophan_C13-label-2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	6157	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Adenosine_C12 PARENT	589779	193531	167269	379242	178047	953117	3537968	79605	81592	1582594	95573	81887	140287	2065861	75369	157149	97724	2639705	1504055	199437	166012	3949041	114903	164706	59477	92299	453894	0	111152	742592	2178069	1911346	90047	238006	211448	3658519	2711762	789379	2131173	196846	1721529	2476495	64243	72773	235821	232741	452926	82944	0	523765	861359
Adenosine_C13-label-1	68714	0	0	0	0	83949	371602	0	0	77544	0	0	0	135253	0	0	0	141761	115274	0	0	385461	0	0	0	0	0	0	0	0	13424	359315	0	0	0	305478	28502	74086	253102	226361	64902	325525	56236	0	0	0	0	0	0	0	70246
Adenosine_C13-label-10	0	62108	0	0	69261	0	74991	5162	74811	0	0	0	0	0	0	0	0	0	0	0	5794	0	0	68973	0	0	0	68266	0	0	0	67252	0	0	0	0	0	6729	0	63385	65046	0	0	0	0	0	0	0	79661	0	70763
Adenosine_C13-label-2	0	0	59386	0	0	0	0	0	0	0	0	0	0	79177	0	0	0	0	0	0	65658	67031	0	0	55833	0	0	0	0	0	0	0	0	0	0	0	62718	0	0	65136	0	0	0	0	0	0	0	0	0	0	0
Adenosine_C13-label-4	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	55294	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Uridine_C12 PARENT	552335	395143	477078	448705	414351	522658	461598	326516	407984	556243	361451	471614	550356	412672	304298	570844	517741	746445	6039	819517	509166	481157	47518	538447	476596	199309	43359	362397	524438	514941	569281	445019	690304	536336	615228	533912	177758	429631	457171	572595	353215	529521	406148	354648	405516	442279	617038	628286	472777	454875	6815619
Pyridoxal_C12 PARENT	537843	5731606	4015637	608223	6777025	3313693	9479085	5592968	5391509	5441711	7005224	6805234	323308	5014993	3818907	5438322	4583239	6851729	8840177	8417558	7308179	12516445	4762333	5585779	6140357	4621857	6396658	1601198	3951181	1678124	5165584	4130978	4859046	5443491	4807368	3652382	3789398	5308372	4519975	811006	5796522	9587219	6349046	5500939	4570782	5558591	2708132	4398261	4594543	6045172	3639057
Pyridoxal_C13-label-1	517563	461506	477394	556243	640823	13845	683217	50571	505257	484603	600056	597915	361861	530377	418274	6694	372914	473344	819684	800327	579709	1013838	363017	573997	504716	469583	449019	9512	25444	58334	441938	465894	492565	421202	451235	443563	27026	516738	416846	719643	591436	743834	540366	41586	440653	469968	9892	391246	519987	609182	251283
Creatinine_C12 PARENT	250488525	195077888	109983662	263854625	235405025	149925312	304960475	238214375	190616962	18375335	228315425	22158675	17586695	216217975	22605785	332930525	171980912	250338375	19665615	254442525	2149866	343548275	2317349	2120772	3240171	179549162	249135775	31404225	2756231	118299912	226847925	221499025	292117275	23068795	233518575	299132275	251296825	276407325	294241575	2563156	2155211	243801325	3117786	226006275	338946125	216625325	92686456	287080025	2417113	341402325	23114080
Creatinine_C13-label-1	10876094	839127	4647002	1101456	10044618	6436257	13998898	9389987	8319771	8075774	10070823	9319063	7494652	8828081	9777423	13969955	7471909	10693634	8362352	11222634	9468855	14397092	9483191	8929977	13942655	7714992	11206455	1212205	11818982	5024569	10175788	8755613	12138885	9669421	9499999	13008377	11068648	12157173	1291059	11096902	9120327	10347066	13671089	9671304	14449195	9838431	4011895	11979904	10241313	14971009	100886281
Creatinine_C13-label-2	234793	74818	83597	99228	235483	86195	12885	22634	123283	10465	131981	114831	119021	125196	321667	88529	80733	127127	173727	104567	183893	200949	283277	109668	115831	108716	214966	0	121672	101025	240225	31138	156562	116173	196132	149395	252331	19031	116561	218681	119245	103725	11977	197145	124592	116939	109398	124699	307923	21033	1847814
Cytosine_C12 PARENT	25091308	18624317	11529681	26291566	30809716	11551319	32212147	30103791	19459544	25066502	20584098	34224784	19812767	26910169	32098394	24129289	21917758	27315297	26416344	21651512	19998283	33196719	33416734	28283097	31665228	27697341	22593017	9071329	20105588	10230359	35959559	27109347	28121441	34647472	2550742	32684259	23999755	32864069	32100562	30730253	2542053	258623	24086481	24925194	31600328	217354	898377	23463025	21206206	26175439	30157191
Cytosine_C13-label-1	1127691	816801	620941	1150198	1742141	557759	1648026	1337193	936061	1149041	94548	1573765	995869	1246411	1441373	1100813	912994	1175485	1189832	1254602	9951	1529576	1543113	1406394	150476	1257249	830592	378203	671897	317281	1575654	1233015	1338383	1615701	1169676	1452716	1177121	1503884	1522894	1306792	998954	1187986	1264706	1063085	1637875	959849	498453	1015756	995446	1162317	1448071
Deoxycytidine_C12 PARENT	2007718	1449739	1004887	2051408	2409023	846557	2305838	2422386	1562507	2012951	1761471	262248	1279295	2511574	2506537	2122888	1813641	2192746	2329942	2107299	1671257	3253124	2850452	2299195	2696946	2064641	1674683	709181	159182	797314	3107157	2238158	2010457	2580721	2218457	2729798	2034943	2587216	2594944	2359264	2237484	2137544	1778688	1959479	280728	1780212	889942	2045181	1697546	2115437	227794
Deoxycytidine_C13-label-1	171695	150106	0	92859	198776	0	210297	226712	103493	154052	71122	220821	64883	193434	290835	114782	102402	85553	143513	189742	159846	209522	225961	220371	120064	224251	210692	0	155924	0	352347	261914	193219	202638	129921	250179	97916	339937	199069	27137	26763	90301	83433	2093	197057	173715	0	199308	19775	198623	153933
Deoxycytidine_C13-label-5	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	73642	0	0	99179	47313	0	65681	0	0	5383	0	0	0	0	0	0	5295	0	0	0	0	0	0	0	0	0	0	0	57777	0
Tryptophan_C12 PARENT	53858256	47416959	29293012	68170781	649060	3880515	57982319	75030594	47259525	59449938	69452825	46569484	53355569	54616862	89023431	47017709	36990053	6801525	46443091	76841481	117211675	2219269	81175325	74187494	70108156	89551581	51347016	14299425	10234075	36088662	99931525	114149412	77557731	9136315	93392106	80792469	87556831	104955512	988348	66344981	62888019	75946019	76821931	64933631	68360325	39336412	43047322	7234505	74122281	95142531	74865431
Tryptophan_C13-label-1	5869288	6189532	3491061	8004602	7905984	4773838	6471572	9047848	5306805	7521488	8652276	5523293	6590877	6808895	10634034	5762107	4668045	8164807	539801	9791609	13912742	263135	97308	8790732	8126265	10629972	6220494	1845608	12122482	4253267	11671562	13519505	9222773	10922688	10929784	9586332	10382006	13023049	12337841	7465103	7674402	9229625	9022285	7669502	8524366	47945	5333089	8728277	9137407	11726835	893526
Tryptophan_C13-label-2	345759	120398	61814	338954	194896	173262	364162	420025	197142	256024	273091	229649	214663	148022	525326	111383	114613	333835	82642	267801	653742	984943	270555	332003	363273	358127	122739	126927	434689	132103	522496	46696	254135	435519	38297	501202	188417	510922	382204	380435	246822	259986	363687	26779	360461	112787	191774	372386	219333	629578	496627
Phenylalanine_C12 PARENT	102526206	670591	50000247	103394969	106805938	48771634	11101525	101807969	6056105	80182625	9162725	98351081	85862094	103084281	111445462	115763175	99485256	101719931	90070244	94362819	9715725	175006238	122679438	108451762	11953065	108943462	87226031	30276359	102753569	363546	132212088	2125830	101062594	102408981	104604294	112102962	103000281	132473888	135528025	110343862	82366869	8968545	113740512	117919538	12152585	96615969	40260191	115223938	102796994	1186532	135078338
Phenylalanine_C13-label-1	10136269	6382114	4933958	9806526	10844921	447868	1069191	10136509	5770805	8197109	8847072	9847222	8071316	10228181	10427666	111901	10195916	9967366	920125	970621	9507009	1692188	12305152	11083446	11476859	11193954	8579971	2898988	9890604	3883545	12565987	20314994	10052974	10089771	10209441	10694966	10175588	13088616	13108208	10705588	8457773	8368636	11406187	11897971	12815207	9051984	3698285	1153413	10333993	11232144	12829737
Phenylalanine_C13-label-2	213597	21356	10721	307893	299327	104642	552992	376493	188053	147195	276878	329066	25986	219038	353048	365919	129693	353444	281112	366648	481433	65135	383581	314201	341664	351674	379492	68705	245966	0	478875	679078	25472	24919	465563	391389	293762	405572	509056	338789	205569	331781	265989	37606	302914	151674	60576	331756	169788	435417	382436
Leucine_C12 PARENT	10233565	54474206	58808925	111616438	115641562	64918988	122634412	106623588	6149805	700211	117694238	90960356	102451794	1188939	104600081	82851669	109430912	101341731	1199771	84312731	1354320	216918625	168857238	104761881	119627338	114441262	86020625	84235669	118726812	51147547	125995862	339077725	133545688	101303519	120852412	116268438	13011255	149102238	1653031	1294771	106970288	84005881	10712295	1208908	148996738	75836606	236746	119102662	11207255	135905638	128068775
Leucine_C13-label-1	6872271	3078195	4269591	7019232	7777915	4333189	775096	6625555	4020512	4859829	7282361	6205042	6980391	7796841	7420318	5330028	7280887	7013366	7971515	5342773	9348365	14090248	10907238	7062843	7874872	7916745	5536623	5332222	8642661	3434977	8484958	22364519	8613802	6940697	777757	7696624	8830755	9580716	11301788	8766171	6786978	5080789	713203	792435	9392107	5117001	4521364	8642729	7213518	8843421	8110452
Xylose_C12 PARENT	1040285	993608	553935	1055275	84396	540514	1496327	956396	666126	626647	1229855	1621133	1259166	1066644	1341163	1571004	1236233	1376741	1038212	849576	115261	2554748	140371	1541592	1435517	1431368	1009177	339588	1092615	355838	1328964	902409	1366894	1188677	1275638	1607877	1206794	1492079	1579835	1330394	1180598	1482082	1645267	174214	1260685	1579318	744491	1374898	106503	1668818	1254038
Isoleucine_C12 PARENT	60760312	34215238	39086738	7428055	7060795	43545362	78196281	65489344	3757885	44474325	730707	55323194	6677815	72644869	65894875	52017334	69316038	67856881	99138519	69485569	95814681	151267488	1096880	69222575	74955394	0	50846784	38691525	76060506	32820709	1959104	855094	97987306	72616769	89482981	42164066	82231506	9639185	104971788	79739894	63916056	55717469	7307325	72828969	939024	50467034	38942891	786351	0	92182381	84596656
Isoleucine_C13-label-1	4156673	2506239	2619142	5183713	4767807	2716496	5737156	4080396	2658295	2983843	5051745	3523395	4851514	5019789	434479	3354812	4807368	4674512	6653613	5342773	7014552	10352773	7416045	4105805	5074126	5314873	3499058	2356087	538238	2261322	5604874	6764036	6231879	4692622	645187	5446027	5874475	6202314	6859418	5103225	4039817	3684494	5101406	4982722	5920479	3637441	5039661	531705	4946942	5968244	5667045
Methionine_C12 PARENT	19045842	179441	8810412	15470873	14676417	7471714	2487268	171079	9784909	12235353	18987917	2423363	17283377	19627758	21573025	27116947	19989338	26310175	17732306	14462486	17931202	43575553	26096444	2347045	222595	242602	1705295	6930851	17527212	6155842	22932914	17585831	20358738	21487002	21532442	27240088	19860619	25596223	260412	23610764	20790231	21047105	23159698	33174853	23611677	2542803	8647049	24011119	17192369	26144361	21872538
Methionine_C13-label-1	1040285	993608	553935	1055275	84396	540514	1496327	956396	666126	626647	1229855	1621133	1259166	1066644	1341163	1571004	1236233	1376741	1038212	849576	115261	2554748	140371	1541592	1435517	1431368	1009177	339588	1092615	355838	1328964	902409	1366894	1188677	1275638	1607877	1206794	1492079	1579835	1330394	1180598	1482082	1645267	174214	1260685	1579318	744491	1374898	106503	1668818	1254038
Methionine_C13-label-2	0	0	0	0	0	0	0	0	0	0	0	62931	0	0	0	0	0	0	0	69284	50236	57726	0	0	0	0	0	0	0	0	0	0	6633	64219	0	0	0	0	64387	0	0	0	0	0	0	0	0	63349	0	0	0
N-Acetylglycine_C12 PARENT	656881	600616	93675	500682	614556	64387	468786	305803	133736	147404	270843	350202	22816	253869	241128	233824	142545	417004	27916	334977	418533	456543	743375	166647	290592	197463	188199	63792	151923	58967	569078	265771	902746	252594	2506	234708	199437	193398	40707	6961	143028	345659	240852	838997	374807	360839	218651	39085	207285	551187	218641
Trimethylglycine (Betaine)_C12 PARENT	39281908	38334400	13365720	30403142	29452038	11647403	37651284	29261864	14838371	24529178	26371442	48215372	30054538	40830672	29078934	35677772	21578678	28497242	39294352	30530782	33578164	36961536	36652328	26327718	32645242	35407248	36923468	10217552	23638838	9209703	48346900	39051760	48456944	45781756	39209424	36083860	31418002	35125572	34327536	39647656	22614986	31510522	42366204	62882720	36664900	47298064	11205923	28236994	29163638	38226432	33002736
Trimethylglycine (Betaine)_C13-label-1	219003375	209144012	74584581	168425962	1603174	63470169	210837925	1629296	819641	134444788	144074188	2694406	169430762	221594275	162297162	202506938	12011535	158803262	211774725	168777812	183904762	209804925	202331988	146102262	174745062	195409388	2012395	55388931	129184162	51837862	269114275	21704625	272890275	247151275	21602385	201945262	17475455	195074488	192317588	218030575	123646412	173799438	23314205	346357025	208516538	260488225	64051856	158490262	1611669	2114896	18344475
Trimethylglycine (Betaine)_C13-label-2	4735046	4543216	1437213	351219	3171844	1232856	4563809	3370001	1538307	2477649	316018	5331744	3646001	4669494	3231902	4797793	2521784	3406368	4676709	371197	4189869	4925104	3996008	2636401	3705042	4082485	4528641	1313124	2951665	1234617	5438276	4216021	596527	5092721	4248566	4098832	3941097	4153794	412303	3921653	2631243	3571821	4996127	753967	4428835	5296614	1747501	3173333	3698739	4466453	3697338
Tyrosine_C12 PARENT	10929684	20755342	6085476	1078743	11577121	11411588	13602261	11077827	9462125	8021807	14248892	24987583	8394166	11378959	15189712	10228315	11020813	12849727	12520205	13833445	17401033	32352934	15551645	14360741	14319458	15365352	10876731	10087329	14551781	7912754	1658997	28284744	13264508	15864394	15917367	16268961	1446397	16425852	17373061	14364948	11142969	12710625	14514227	3540875	1632007	26828944	8482988	13665306	10990002	1501263	15710858
Tyrosine_C13-label-1	1105452	2025968	562896	1132266	11643	1245236	1456755	100369	814626	961443	1373616	2775326	812195	1149307	141779	1085558	1151201	1329442	1153103	1467216	1609348	3509564	1652486	162484	1505385	1628474	1140866	1212624	1391256	940351	1674993	3109537	1349305	1597261	1583513	1614137	1459977	1685034	1676498	13878	1058115	1497434	1406411	3582377	1449621	273158	842983	1336897	1124763	1345238	1659293
Choline_C12 PARENT	27519930	16357696	9717886	27030990	25347078	12487604	31662946	23851520	15309287	20431528	16485179	25412416	18978134	35673004	23516414	28705866	20748858	34085192	41053488	35868896	24160798	48298740	25053354	30429778	26469056	24256446	25386090	8811805	18854230	9739567	29826754	22026834	25469552	27480634	25479696	31229352	23942870	23894752	24814310	36482116	26459282	27692758	26016162	26050714	33253168	19549024	11176207	33355472	20859690	25754288	24132042
Choline_C13-label-1	150042112	92246081	5469525	151927212	1377902	68654231	1754351	134214638	84654375	113245412	91989481	143134962	105228912	197778762	128812662	1600854	115355588	19212555	230471825	197332838	1326346	266530875	140107812	164461088	149129862	133568662	1425940	47967153	10566755	52771781	16741445	126610962	137857562	1541430	142834112	175048012	1334223	131876162	138856212	201806888	140740788	155840862	146440062	1457707	18675395	108883288	613847	185406438	115808738	144864738	135499412
Choline_C13-label-2	313428	183303	10112	2888691	2998262	1517362	3328027	2666208	1979576	2255556	1993423	2831801	2282683	3959746	2276251	3291535	2257032	3584004	4569019	3920959	2672468	5241092	268081	344351	3000736	3081442	2622022	989516	2081555	1159533	3647217	2394524	2642232	3199759	2591018	3662628	2641281	3130412	2976623	3935064	2492396	3135987	2750967	2850988	3617122	2090301	1198114	3662651	252223	2843263	282736
Taurine_C12 PARENT	106102838	111795925	40678991	96673069	56794206	76937156	164035688	72889506	62434606	90147581	701376	1013612	8956805	211204575	75500744	125678538	626116	162437138	184173662	173747938	113581712	195856138	1467111	1321625	74517256	68406169	104923162	84832569	8719325	133094512	1444759	122275462	93862425	91774006	695982	127148338	100380494	136748888	190911662	127227888	130283938	16556075	827428	1028976	114777275	96831319	72942406	1539901	80817731	135188438	245975475
Taurine_C13-label-1	2368076	2595834	844644	2144931	1106156	1726481	3109877	1686167	1288552	185024	175311	2258832	195509	4424671	1660281	2571903	1052074	3366828	3852962	365857	2311663	420012	3268121	3009773	1599885	1685885	239804	1922192	1873448	2650612	3196128	2371712	2118987	1977784	1378394	2529101	1869376	3148018	3760655	2680695	2440714	3353585	1927691	2124118	2452026	2272788	1371327	3161598	1777835	3085262	5465546
Pipecolate_C12 PARENT	13649909	12798932	8057182	6993494	10245765	5289997	17824588	10880488	495552	7941829	8802659	12926091	10479838	13045366	17272911	19871392	10258719	1841383	1064264	10511449	6714249	13820648	12701956	18149427	14724189	14665038	10673177	3622811	8263665	3575804	15529773	14853908	9976344	12969009	1094337	18749588	13283384	8943622	8745096	11603751	9923677	9316673	10028005	11968538	17483148	12973818	4960261	10534794	7730584	10284747	38738916
Pipecolate_C13-label-1	1027142	945409	608155	634214	833053	489332	1168966	807196	350817	585788	672009	971013	692047	1055343	126074	1220639	766108	1000298	671647	734297	645096	919375	896007	1082016	989931	1026962	81296	16558	649213	169745	1108508	869886	659833	977314	770738	1376123	1071823	670056	681758	780854	792939	797085	787464	820377	1224141	100077	502162	843515	668012	805874	2472934
Pipecolate_C13-label-2	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	62886	0	0	5492	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	58092	0	0	0	0	0	69897	0	0	0
Proline_C12 PARENT	210124075	208849562	79811181	172565562	155413962	72721331	2590228	175727062	93922056	128102012	148034038	265041975	17151785	237223975	1459176	179376612	142766188	211918175	232229175	14135165	170916238	210017825	232872775	179134412	1638451	1893459	15575885	35057559	106722938	50579328	153942162	1534138	160872562	163054962	154738412	181748012	140732512	155132888	1699954	190519738	132660512	158506262	147388638	231759525	1623353	183955288	51053334	147484462	109278538	1699132	147513062
Proline_C13-label-1	15290911	14119673	5319334	11650516	10552024	510957	18649762	11529065	5924266	8287415	10231474	17573427	13089698	15726406	8503531	12006941	8762784	14205481	14590902	8040523	11053948	144833	15359595	12424547	10287038	123153	1115142	2108487	5995085	2954799	8824019	9450519	10128509	9792284	9579474	11542965	807369	9872987	1067911	12056515	8102412	9918466	893469	14346861	10096816	12260184	2805071	8874038	6589416	10285862	9191462
Proline_C13-label-2	3072267	2267416	934474	1602601	1461733	48529	2646619	1439895	736883	1058465	1472703	2795754	2679379	2197274	934097	1450309	884956	1955778	1897235	951506	1316909	1740565	2236715	163244	1182652	1674475	1626297	0	514611	121013	611462	756419	89664	1010634	943539	1030683	888207	6277	793692	895849	792705	1041976	678271	169241	794052	1277782	0	732621	663045	786013	625442
Proline_C13-label-3	530156	509814	91362	263244	222425	100538	509256	218059	0	186979	127685	430034	588643	544044	0	306999	96693	470522	480477	106454	100069	41753	505889	238512	0	11306	395531	0	0	0	0	89497	228818	84538	0	103993	0	0	87063	0	78809	74578	0	121483	80136	200246	10454	0	0	0	90281
Thiamine_C12 PARENT	9458482	7332181	4416021	10735791	11262215	6288216	12232771	1067094	6039142	8206293	10493762	7874168	6885973	8486651	10415112	7209723	5574802	987859	7118912	6246436	8430849	12466902	823807	8294387	9859205	8623615	9308438	153345	12925578	4123078	1426633	11336002	904685	9649373	9041387	12125891	14757933	11988676	13233094	18697655	14744214	14732777	16529692	15083373	17917342	7912947	2725564	12592597	13713175	13695503	12134116
Thiamine_C13-label-1	1174626	917298	844217	1337918	129046	69787	1518953	1314408	85439	1045737	1280623	95418	783068	1177882	1268273	1044807	576421	1117747	978052	937729	1022501	168138	922404	1147621	1257541	1096203	1415336	106688	1576033	470422	176187	1572279	1082477	1166181	1115525	14026	1667639	1397479	1665617	197177	1674028	195642	1755528	1839981	1919937	1026531	376365	1534536	1605855	1804029	1531261
Creatine_C12 PARENT	2630298	19036695	105987188	366699525	191768838	3344803	42361095	2928858	264005625	261422825	116398638	316665725	150159662	55481805	2994316	164735412	261325025	41994135	333209875	294309125	243704575	19122894	411583025	67925995	306347075	297140775	2064202	149809462	2021795	63089825	5079266	46973855	3763730	4051876	313729325	405014175	3547286	55382745	72682315	336554975	46663045	64416415	3205300	368231625	292427325	1987051	303386175	54695985	212984375	44726395	8391105
Creatine_C13-label-1	1096356	7614523	350228	14933705	7332145	14590211	178373	12180674	9752088	9955266	4281714	13376167	5293575	23372308	11944166	5814911	9542195	18017823	12875259	11376227	10189134	89048344	17087172	30485669	11600626	1167217	7758032	4992867	7569704	27778447	22217231	20028219	16061312	17191133	12812134	15658942	14318064	24035989	32600825	13695011	20952138	27009119	13693742	15007073	11772121	7470419	1298421	23888355	7817887	18359617	36483884
Creatine_C13-label-2	247371	113525	115867	347378	197495	228162	464944	182461	334879	377465	209742	377829	137242	514362	415681	279213	368837	52398	238111	25975	154831	1831604	463817	69589	537534	369867	273116	105664	331952	483031	465632	405647	539933	548625	282234	483409	395831	581403	744178	484684	430258	637365	147567	378929	396902	32455	351607	586902	231635	518197	103495
Alanine_C12 PARENT	3505375	24926481	1339777	28911466	2928245	14606083	42941897	30353966	17455114	2023867	22439944	37951925	22346058	41900703	30076466	31539641	29878728	41360766	28101144	17411231	2132573	62193775	38257734	44334991	33676562	32223822	31314534	5087821	22147938	15978986	31862288	38637891	23263044	26950641	28125212	34472847	30329272	28644966	3324295	32396128	29053653	27764422	23686745	34309553	28841525	2390285	10608052	29117878	16568577	27145678	30673869
Alanine_C13-label-1	3671303	218082	1159455	2269194	2386405	1067384	4198407	2017347	1152611	1383324	2239778	3400362	2261493	3290076	2240445	2666518	2202578	3007801	2102834	1046632	152247	4604507	3165787	3474477	243768	2905105	2408606	216809	1307048	595987	1823679	2596657	141502	1961957	1873287	2063444	1673297	1675413	176565	2070672	1653529	1457581	1777716	2278898	1683977	1829822	53622	1806333	1057009	1500231	1565259
Alanine_C13-label-2	2128033	925455	553649	1010379	1331459	414837	2030578	965449	649417	761408	1143577	1651619	1483111	1386656	8512	1007332	1010742	1026356	980267	698965	688716	2399434	1316295	17255	1149999	992124	869401	8083	521631	198415	687198	649297	506393	6866	803435	901001	771748	390381	68109	770771	557393	570304	514137	1040869	598064	584126	437839	669379	372128	545337	656136
Alanine_C13-label-3	3125564	2218483	1461312	1743586	2432985	981798	3720215	1409115	1123821	1136402	1847848	3932261	249833	3273579	2552028	2421487	261406	2709032	2780907	1326618	1693553	4699383	3554059	4125946	2516891	3024459	2115709	299803	1435638	749093	2279565	2295443	2336007	2026025	2356996	306482	2609171	1575588	187373	2413738	1860085	1654526	1772428	3326561	1871996	2510716	712857	2209122	1309083	1570022	1521455
Hypotaurine_C12 PARENT	1657429	3343443	407965	1650293	935961	66438	253897	1235028	573965	924688	684748	1686342	617333	2900775	647316	77516	467764	1717268	1669335	559942	513263	2236374	923768	1236894	783337	53365	994501	432035	634283	768778	3002632	1394361	747999	1140018	62513	998439	17101	1348951	1197164	2139597	1321386	1982906	817767	3455593	3380736	2307356	0	1493249	802349	1797854	2042499
trans-4-Hydroxy-L-proline_C12 PARENT	4175664	2796483	1386302	2279403	3377016	378988	4654412	3501861	1773221	1401437	2627095	4770621	202128	7561423	4209214	3342397	2671722	4400904	3897216	673535	2242104	5010927	2610604	3497212	4421385	5395997	2878233	19234	1826013	861568	6056912	6392404	2907638	2578523	3460872	7018403	6459865	2176641	2076624	6220918	3585622	2007745	4167665	7188966	6752805	4730046	786106	4889722	2984478	369653	291061
trans-4-Hydroxy-L-proline_C13-label-1	337479	127032	195283	171422	246826	77241	370669	150062	76133	103568	161848	123971	81171	459547	159274	107571	190521	280251	239042	70145	84475	140715	121485	259844	286381	279536	164155	56878	0	0	364659	409165	262832	167804	367928	457985	328627	212887	312018	384638	151763	200228	342485	268954	473583	325467	124608	252682	136561	210141	149871
Threonine_C12 PARENT	15320709	9115396	8415931	12284485	11399762	7114845	17976323	12232687	6983526	8152395	12730841	11691632	12692619	1859462	21704648	1685948	16976361	18490181	18253127	12347473	15487053	30283988	22424992	19665188	15624752	1942107	11812621	9946922	14639553	5355764	23047345	38109459	14131367	16984412	17354023	18086589	15864864	20244952	18287881	16310377	15648531	14189405	17201258	16902314	2043622	13674041	6935502	16530289	13875795	18609064	16446561
Threonine_C13-label-1	702403	309711	466381	609508	558515	337149	925103	679432	238033	208491	500495	529988	586998	700578	1039981	952631	784012	76343	81469	643647	647952	1417066	996248	840362	681356	87371	597994	562684	660889	19416	892191	1584263	58876	817782	893406	973565	606261	837966	819108	711371	625963	595155	66745	796825	970766	512195	288083	621939	562746	913656	701007
Histamine_C12 PARENT	24838992	13201788	9592894	53793994	11650271	17509625	44828484	10630273	51871784	6467295	37881966	14050367	14668395	30422288	32741788	16824683	18667123	45900166	29414891	3635695	15538439	108608038	29875575	25324517	17739945	17042328	7041866	5502219	54424606	31624516	680388	422714	20576938	49489741	47131362	24154636	18511548	36490366	34778494	24597214	23840644	43403597	1460737	28450509	40296688	12321471	27061	6103225	34766456	9849905	108430012
Histamine_C13-label-1	115181	757079	540601	303234	632997	868983	2450939	521983	2739538	3236916	2108001	739863	953481	1699199	1939655	927746	1080756	2444226	156503	2122299	849538	5986264	1654224	1232847	1121494	926249	488218	275586	2986922	1702753	3439708	2421679	109818	2824943	2580503	1482218	1052108	1867655	1717446	11490	1402465	2313183	742436	1651894	2264977	455056	80554	3295862	2248163	5472367	5594292
Carnitine_C12 PARENT	5571796	7118116	219016525	8627013	78708815	196561362	57036655	73884375	54010575	79154585	2506626	8499657	60792885	6538952	83689425	77875135	7359750	9644043	4569270	4837840	44196045	8553103	7982262	9974651	5198632	9426487	72110195	393715375	4918828	285545875	5183680	67067365	62818775	73980485	68526105	9078844	69957985	60720935	72865065	6098292	63188785	81600295	76610185	11104344	5079419	8465709	405122975	5742018	291255275	358349175	51487605
Carnitine_C13-label-1	42894753	54000094	17370433	65824244	60669419	14922869	43666534	57234694	40464725	62455144	1920893	64035594	472984	52301359	62141006	6111775	553649	73895931	34730325	37485984	33168678	65064669	621682	74624556	40705441	71741381	55409675	28878553	38093025	21354883	38387241	52289834	48698938	55515456	52648262	68264925	54149625	45471153	55322588	45541041	48602972	63543756	59927256	840243	38457291	64533056	31190475	440665	2161082	27265103	39149272
Carnitine_C13-label-2	796006	757233	149101	1268301	1012404	399566	879067	1097671	749233	1011138	376608	1052826	757275	1021208	1210271	971667	1006462	1214569	633675	614726	63546	1355397	1215965	1489814	636029	1371458	1017106	432712	510132	385246	779187	904262	875392	898942	1181871	1230388	923152	660683	1067335	821516	960263	994288	942286	1938328	684452	1163163	342157	634719	382624	424637	709518
Glycine_C12 PARENT	5272022	4181604	2268971	5114442	4997441	1627261	5128482	4799738	2693137	2690624	3862334	6482071	2704917	4568668	3364473	3066637	2975338	4058296	962004	434304	5397685	10125934	4593592	6137528	5313595	511359	3195152	658591	3114831	1769904	4989741	5337522	5395407	521673	511715	7638293	6708254	3360133	3963275	7611656	4558331	7918618	5116659	6108967	4221727	467107	2301326	396408	3403266	550645	4687697
Glycine_C13-label-1	171567	173612	0	86231	189724	75914	201515	93676	0	48006	121316	108476	44732	127988	50564	56379	146905	54724	298141	68993	88387	205038	685	93715	82978	72164	0	0	0	60455	18431	14618	95255	11278	80763	235729	101233	66398	135427	138374	96811	88729	153638	77945	70254	69461	52922	68729	0	71206	73773
Acetyl-arginine_C12 PARENT	454773	190132	181482	1756068	1044206	297092	478635	118948	854037	599107	270903	2138196	326512	60242	353913	279253	178945	665761	480655	264751	282942	788336	30089	31677	395171	279107	2278	0	309732	94114	430402	1593132	280605	587951	191106	536575	312309	353788	290564	557098	196836	433582	370674	408336	458807	417442	384312	54215	133806	932044	4720419
Acetyl-arginine_C13-label-1	0	0	0	159326	0	0	0	84524	0	0	0	81653	0	0	0	0	0	0	0	0	0	84413	0	0	0	0	0	0	0	0	0	115597	0	0	0	0	0	0	0	0	0	6485	0	0	0	0	0	0	0	0	412638
Glutamine_C12 PARENT	372061525	193706812	183301312	3689791	282496925	199447888	4565061	326194075	191711762	293945875	382065975	214476575	3213838	311152525	313524975	3283282	258426225	358338675	366167625	2478591	339422275	72711095	4327648	303425775	274670975	349993725	3161566	710626	349144275	116672362	334490825	3459979	4041668	3549742	317673525	3200435	339323625	4020554	45218525	3878676	313685125	3949201	42196145	369475075	377315525	2831813	20219935	405825675	3502926	390479225	42738945
Glutamine_C13-label-1	50830447	24690083	22432683	44871959	34624031	23377938	58339869	35560675	21435758	32500747	4737485	28133416	44817009	36490722	36080253	38965141	26453466	39272534	43483903	26700197	40582097	918486	53246656	35021878	31321484	438929	37112659	913109	38037409	12256799	31171434	37213816	43014484	40538978	35033872	32493288	36920322	39346825	46170184	43139616	32665053	47888441	48062788	40957766	39791766	31787472	21277405	42178416	34838162	38133253	43713141
Glutamine_C13-label-2	27362675	12418715	1196933	21806452	16351412	12523469	29240072	14131873	9607362	14362836	26002795	14988423	28267859	19299342	17159634	19560895	12145141	1852525	25046155	11678804	19875438	49994909	27835697	18388275	14810552	23020155	16689912	397369	17705677	4794095	14102983	14523002	18687058	18035927	1581932	14423586	16207686	14505255	19213342	18818742	14367594	21299783	21220902	18289208	16652489	13270392	9340798	18609898	15588531	16224159	1870953
Glutamine_C13-label-3	7083069	2822978	3067333	5114346	4248021	3525171	7286751	2818057	2221876	3339778	6626599	3857112	7777439	4996161	3988654	5085846	3405664	5337451	6949384	318588	5106334	13025881	7850273	4794639	3543593	6035834	4766904	1368874	4887436	1273446	3788187	3729068	5549829	4805157	4501549	4000019	4197466	3794995	492662	5125289	4218216	5381779	5530916	5119059	3996303	3394239	251646	5333779	4160649	418745	501612
Glutamine_C13-label-4	389524	403043	217373	236141	119543	13214	434166	81476	219026	170732	447458	553468	316504	315001	5105	381502	10893	330692	299499	17963	271493	630616	313978	525621	259744	49844	120055	254268	661246	80565	561058	399422	525618	537805	629922	529665	675376	512038	477075	531762	530157	567424	541602	474194	407131	359438	312229	340811	146912	434835	511152
Serine_C12 PARENT	12078275	969846	4977022	9920202	9900494	4579332	15815494	9499095	6307018	6795374	9672012	14921523	7902347	13353725	12988676	11579837	11836923	16034023	1844053	8784093	12084774	26092139	14778039	12320531	12240398	12979926	10655143	3690573	10165328	5117938	1530642	19978275	11440938	12389095	11927594	15162448	13038127	13804377	15204844	19654527	122496	13527627	12871615	18418877	13495611	14220544	5445618	12865038	9604621	12956997	1333828
Serine_C13-label-1	6631	713593	349206	437783	589464	187157	1184035	501456	342616	470527	626496	891732	5621	868309	564382	746369	574302	920256	934929	471252	516035	1218733	814468	867798	849969	694417	550131	142468	427166	334469	660071	92308	4519	610729	582636	724778	593753	551383	850325	1032311	589058	503563	50823	851762	634163	683411	246782	644317	473987	530858	479005
Asparagine_C12 PARENT	6845513	554035	3300867	5467267	5190859	3006283	7453729	5827394	3138372	4063169	6227691	7860438	5055897	6673679	6643635	6431462	5381578	6638671	6729979	4423123	6772837	12161004	7786905	6308756	5823111	7765461	5019792	1367313	4762648	2121728	6914102	8415431	5678113	6267441	6011173	6674163	595922	7437237	6478825	8624446	5561439	5958392	6315791	10420346	7726248	7991327	2820982	6531184	5348864	7790744	7510473
Citrulline_C12 PARENT	12097079	9411397	6641252	12365197	11423172	66724	15604164	11530532	7074562	889381	10942388	10039959	13132698	14040906	17523814	15109652	12281527	16499845	15014886	8098602	11955315	21334469	20782056	10509988	10111259	12201022	11363846	7179496	1782928	636677	29599409	31475062	21586561	2028457	17621662	20949239	1948172	2063605	21711617	21627345	16291469	1748347	237414	2451097	22544031	21869131	11063884	19337345	24552873	23484569	22816452
Citrulline_C13-label-1	1423454	1143376	802382	1153011	1146923	834705	1862103	1080896	787214	937246	144997	893857	1753777	1322073	206181	1757059	115487	1940466	1472121	991549	1329154	3108628	2864141	1375358	1146564	1744546	1005038	1205546	2517113	704797	3080263	3555853	2460374	2293838	2143665	2273165	2144074	2020349	2632831	2648186	1933306	2291356	327296	3020365	270044	2785946	1330177	2252381	28903	2772364	2780983
Citrulline_C13-label-2	78619	17658	62485	86185	92378	0	272261	6626	0	66472	159631	55585	415453	75355	153833	113552	127085	247179	208582	48563	192474	461324	398402	122791	59732	159773	155333	0	26303	105662	170673	28059	232492	264185	142637	118988	172764	90119	229347	20802	19951	152858	462464	355722	19957	380724	89339	298274	355385	238244	328163
Citrulline_C13-label-3	46603	55248	0	0	0	0	76726	0	0	0	0	54428	63416	0	49453	0	0	56065	50183	0	0	69615	72896	0	0	71083	0	0	0	0	0	0	0	0	0	56197	53185	0	0	0	51297	48634	69601	0	0	63795	72565	0	0	43415	73239
Histidine_C12 PARENT	838608	6033329	4215411	7932527	6949585	3537583	9536623	7263819	3856623	5184433	7231826	6886193	7285296	949699	7605212	8270476	7006061	8139551	9371684	4505911	7029341	582010	9913775	6995223	8961476	7390946	7218059	204743	635078	2811645	9253466	1724588	7757024	711932	7084496	8259243	739197	8311477	9312681	8387662	7377905	7440169	7308435	9369081	8806159	8156723	5008163	7915666	7401998	8813454	8639377
Histidine_C13-label-1	554227	262091	417988	576924	53246	256352	652008	421402	305228	352906	556274	410522	574605	666031	503958	356497	606165	567405	557201	230076	61817	11663	681346	515665	486367	495135	476142	88566	495952	168282	729737	1147623	49916	502084	521393	63916	535842	513752	717658	63985	372188	444229	640813	687682	537206	550657	380281	581786	434359	48972	687035
Glutamate_C12 PARENT	22056695	12744123	6083575	30753666	17487288	9955348	418790	18138992	14529695	17662667	13854289	27089666	7994734	29123138	19421606	11468237	7277597	23904739	28195241	15234208	1448808	48257809	16097298	15912608	12893145	1017008	18002858	1462415	19344358	15929948	19647389	18249258	12350544	18949133	974469	12458398	16769795	23109988	35924534	32250609	21670639	32833722	1256277	20068673	30636562	11818888	9041963	26749169	13430106	28298734	28609834
Glutamate_C13-label-1	2835841	1692699	65265	3165552	1918106	783266	4678195	1953551	1488255	195106	1334117	2801533	893507	313622	3234421	1046526	704164	2347616	3073133	1531414	1648178	5689607	1789337	1866339	1414548	1316041	1827653	14429	2583254	128742	2005221	2929547	1125955	3546264	945665	1202757	147536	2025403	3222038	2815315	2329687	3450432	1271268	2092689	3028482	1043233	782625	2314471	1201261	2241217	2398088
Glutamate_C13-label-2	137003	809457	281833	1390594	76407	335297	1950288	655652	496032	579355	630367	1300811	572384	1506631	2091216	410523	309172	1011773	1336054	502852	467572	226201	690982	818947	618964	627144	874426	71556	1396819	358378	1093082	1611975	45416	2147182	381786	489641	474031	526163	957985	823827	533549	1314126	509497	596504	1194743	417283	122762	714853	377537	694147	6311
Glutamate_C13-label-3	143748	81619	60595	326467	173929	0	488074	61952	68499	71218	92002	207612	15823	376685	647927	74295	0	98527	370107	16124	61341	549224	150201	157615	76054	127878	81904	0	36508	0	182306	393852	66483	641821	0	79066	84977	64521	269277	295791	110882	278701	66044	72766	154849	70632	0	7229	0	22544	78095
Glutathione_C12 PARENT	79984	3680178	602029	1922304	1950348	745655	1891342	1464388	852917	3029337	1414102	4423618	434959	994895	607769	700394	50559	5911	1157138	446425	937721	1631674	273419	444193	588839	37889	1739612	64233	493276	40394	456117	634841	332966	42044	623622	213559	35137	50998	450376	1232288	854634	138911	1074836	2841982	570154	2528606	1049184	1355552	1089762	742885	1082528
Glutathione_C13-label-2	55655	79453	0	87073	77271	0	54654	0	0	72696	6285	65991	0	0	0	0	0	0	0	0	0	0	0	0	0	0	59056	0	0	0	0	0	57912	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Aspartate_C12 PARENT	946847	577092	254913	1434311	931511	541853	1695964	949565	61019	853663	666249	132706	450367	1193034	1254549	684399	364098	1505398	1570466	1072017	903589	2298243	903718	1156816	87294	670131	952549	118821	1108347	626287	968227	1177054	575887	1238123	625877	101892	1035814	1229839	1887797	2281988	1525563	1693161	814388	1327742	2118891	634293	81903	1301223	751679	2082849	1784506
Glycerol 3-phosphate_C12 PARENT	2940938	2079431	957048	358027	2708073	1180081	4784272	2898226	2365891	3527198	2003212	3389418	1309298	4725861	2113538	2980618	1210846	4863007	5394251	4211262	2593277	9319888	266073	2946489	2858621	1805505	3054529	100731	2343678	1593893	3101423	2979557	2237471	2427236	1827735	3280246	306241	3123828	4827722	3510391	288907	4702914	327534	2474851	3005106	1961781	1322399	4635708	2349711	344015	9868334
Glycerol 3-phosphate_C13-label-1	191003	108293	0	218404	87337	0	31746	132809	72839	142769	0	131098	64356	107862	0	61573	44957	83308	254257	281467	11892	378276	94327	91449	6789	55816	83757	0	49765	57061	19236	62478	56415	5303	0	91736	87528	131492	283034	135177	120419	172968	51058	0	128426	0	0	145148	0	67583	280997
Glycerol 3-phosphate_C13-label-3	73779	0	0	0	0	0	9167	0	0	65631	0	0	0	89102	0	0	0	66064	221282	0	0	372096	94062	12005	0	46509	53992	0	0	56616	77407	0	0	0	0	75498	0	0	315351	49774	85412	267471	0	52629	67416	0	0	62099	0	71767	56909
Creatine phosphate_C12 PARENT	10845949	71683	1567175	8119822	4632609	587971	11220687	4908927	3335059	4796164	2303758	5061681	2336141	5332999	5272223	4402908	2500902	5454261	5870879	9548455	5902618	386603	8319046	6861698	4204483	2383781	8973876	792789	6720051	3251073	8828763	10340327	5649836	802652	2717977	11625659	1063013	12910625	12969991	9934607	9290237	8166685	5466361	756502	8079859	3086634	0	12717826	435475	1174491	16491039
Creatine phosphate_C13-label-1	370095	330496	52461	242977	228825	109793	485529	206989	183061	321139	0	256218	70707	144843	307752	226953	130523	208659	298215	318416	270568	124595	351722	304278	175047	94462	336689	0	288252	60538	561339	481241	82673	395114	61786	444073	526365	529431	582275	457082	467795	266694	287894	34295	405762	129351	0	441246	203268	403692	645017
Dimethyl-arginine_C12 PARENT	15605139	13201561	6508872	1582293	1483302	7588801	18000467	14687823	9263732	1266322	11490728	15335102	11922735	15987136	13380133	15672138	12048541	171989	18345244	16920002	17278408	38477697	1730143	13773305	17314561	16094008	14366542	5338925	13034623	5510852	16582492	16484731	2059863	18377367	16927091	17137169	143908	1778393	17109569	17598155	11817966	15632486	2172517	17959945	17323581	15247838	4035964	19597562	16466947	17985498	90445856
Dimethyl-arginine_C13-label-1	1352365	11024	660797	1373542	1270275	590165	1589243	1247916	860681	949746	1145921	1556306	1220013	1317094	1253113	1682548	979427	1522798	153838	1387992	1641143	3312122	1409336	1352869	1529759	1424935	1305916	463344	1074998	552055	1608928	1324664	1884456	1584047	1470146	1368823	1166476	1406179	1514261	1348524	970637	1399219	1457954	1712658	1338933	1579369	430773	1799709	1451314	1468521	77731
Ornithine_C12 PARENT	1325837	2267126	1012875	1865037	1459958	1521509	1958104	1369149	1157637	782278	15026	4265665	1248804	1872964	2002818	1575694	2338196	2278524	2089687	2044994	2185258	3769019	2569216	2338113	1789089	2066618	2092541	2057618	2012459	891413	4655252	513937	2268542	1744757	221317	2037148	2186426	2549462	1889601	2784065	189369	3109546	1978736	9009809	3800021	7717378	111417	2022454	1965359	2166185	2296812
Arginine_C12 PARENT	33470459	15821561	13724452	34367109	31354684	17789456	36473641	29810338	19289345	23128661	30035059	22461012	27194828	34501275	34705684	32671016	30003366	45733984	32800772	29221916	40193959	990341	38372925	37433078	36813553	36909316	24853852	14509448	472823	18563517	29011747	689961	50641962	48037475	45489362	39990184	39448184	54563369	58087106	60947294	42528162	35698838	57808162	10393566	40907078	3233406	15179828	59171244	45531466	5455915	56423469
Arginine_C13-label-1	2290169	1191394	1042863	2617994	2224118	1350774	2480684	2134169	1331057	1491697	2286922	132673	201987	2578294	2459085	2364546	2007809	3169307	221554	2290659	2747773	7625516	3005986	2916459	2234681	2513359	1616469	1342867	3573855	1531438	2024126	5166908	3656514	3370242	3278576	3002122	2976558	4111859	4616258	4413152	3190405	2435184	4457397	812767	301716	103455	115709	4229658	3622394	3806353	3973374
Ornithine_C13-label-1	63413	106732	73494	8449	7092	60828	178238	118449	56891	54615	79194	296748	66867	143607	152662	94397	96116	188632	12377	88347	155589	284661	96177	13063	6406	80078	91585	128986	229118	5613	309646	158834	104413	69352	93311	75577	144947	155294	83166	106914	133531	131461	189265	580849	265022	573698	61507	129616	84561	94046	7634
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	medMz	medRt
1-Methylhistidine_C12 PARENT	170.092087	7.319
1-Methylhistidine_C13-label-1	171.095505	7.265
Acetyl proline_C12 PARENT	158.080994	4.578
4-Pyridoxic acid_C12 PARENT	184.060593	1.858
4-Pyridoxic acid_C13-label-5	189.077759	1.923
Nicotinamide_C12 PARENT	123.055199	1.945
Nicotinamide_C13-label-1	124.058586	1.947
Nicotinamide_C13-label-2	125.061821	1.933
2-Hydroxypyridine_C12 PARENT	96.044632	1.929
2-Hydroxypyridine_C13-label-1	97.048004	1.936
Acetyl-tryptophan_C12 PARENT	247.107361	2.199
Acetyl-tryptophan_C13-label-1	248.111389	2.16
Acetyl-tryptophan_C13-label-2	249.11293	2.218
Adenosine_C12 PARENT	268.103302	2.615
Adenosine_C13-label-1	269.106995	2.62
Adenosine_C13-label-10	278.138702	2.602
Adenosine_C13-label-2	270.10965	2.667
Adenosine_C13-label-4	272.116638	2.561
Uridine_C12 PARENT	245.07814	2.804
Pyridoxal_C12 PARENT	168.065292	2.728
Pyridoxal_C13-label-1	169.068512	2.73
Creatinine_C12 PARENT	114.066299	2.718
Creatinine_C13-label-1	115.069588	2.725
Creatinine_C13-label-2	116.072708	2.746
Cytosine_C12 PARENT	112.050713	3.087
Cytosine_C13-label-1	113.054054	3.129
Deoxycytidine_C12 PARENT	228.097488	3.099
Deoxycytidine_C13-label-1	229.100754	3.099
Deoxycytidine_C13-label-5	233.116379	3.07
Tryptophan_C12 PARENT	205.096725	3.277
Tryptophan_C13-label-1	206.100235	3.272
Tryptophan_C13-label-2	207.103531	3.264
Phenylalanine_C12 PARENT	166.085953	3.373
Phenylalanine_C13-label-1	167.089401	3.439
Phenylalanine_C13-label-2	168.092865	3.381
Leucine_C12 PARENT	132.1017	3.805
Leucine_C13-label-1	133.105042	3.858
Xylose_C12 PARENT	151.061447	4.252
Isoleucine_C12 PARENT	132.101685	4.148
Isoleucine_C13-label-1	133.105026	4.149
Methionine_C12 PARENT	150.05809	4.238
Methionine_C13-label-1	151.061432	4.252
Methionine_C13-label-2	152.064957	4.233
N-Acetylglycine_C12 PARENT	118.050018	4.508
Trimethylglycine (Betaine)_C12 PARENT	118.086304	4.486
Trimethylglycine (Betaine)_C13-label-1	119.0895	4.487
Trimethylglycine (Betaine)_C13-label-2	120.092796	4.482
Tyrosine_C12 PARENT	182.080978	4.675
Tyrosine_C13-label-1	183.084183	4.676
Choline_C12 PARENT	104.107132	4.972
Choline_C13-label-1	105.110481	4.971
Choline_C13-label-2	106.113724	4.974
Taurine_C12 PARENT	126.021873	5.309
Taurine_C13-label-1	127.025276	5.32
Pipecolate_C12 PARENT	130.086044	5.41
Pipecolate_C13-label-1	131.089371	5.403
Pipecolate_C13-label-2	132.092575	5.439
Proline_C12 PARENT	116.070671	5.61
Proline_C13-label-1	117.073929	5.623
Proline_C13-label-2	118.077255	5.603
Proline_C13-label-3	119.080933	5.61
Thiamine_C12 PARENT	265.111298	5.65
Thiamine_C13-label-1	266.114655	5.658
Creatine_C12 PARENT	132.076645	6.324
Creatine_C13-label-1	133.079346	6.354
Creatine_C13-label-2	134.082932	6.36
Alanine_C12 PARENT	90.055267	6.362
Alanine_C13-label-1	91.058609	6.42
Alanine_C13-label-2	92.061913	6.36
Alanine_C13-label-3	93.065376	6.408
Hypotaurine_C12 PARENT	110.027206	6.351
trans-4-Hydroxy-L-proline_C12 PARENT	132.065445	6.431
trans-4-Hydroxy-L-proline_C13-label-1	133.068832	6.391
Threonine_C12 PARENT	120.065491	6.651
Threonine_C13-label-1	121.068871	6.613
Histamine_C12 PARENT	112.086967	6.315
Histamine_C13-label-1	113.090363	6.3
Carnitine_C12 PARENT	162.112213	6.483
Carnitine_C13-label-1	163.11525	6.482
Carnitine_C13-label-2	164.118912	6.516
Glycine_C12 PARENT	76.039833	7.208
Glycine_C13-label-1	77.043121	6.9
Acetyl-arginine_C12 PARENT	217.129074	6.905
Acetyl-arginine_C13-label-1	218.132736	6.889
Glutamine_C12 PARENT	147.076157	7.15
Glutamine_C13-label-1	148.079529	7.148
Glutamine_C13-label-2	149.082825	7.189
Glutamine_C13-label-3	150.086243	7.152
Glutamine_C13-label-4	151.089706	7.155
Serine_C12 PARENT	106.050041	7.318
Serine_C13-label-1	107.053352	7.311
Asparagine_C12 PARENT	133.060516	7.43
Citrulline_C12 PARENT	176.102631	7.733
Citrulline_C13-label-1	177.105927	7.703
Citrulline_C13-label-2	178.109268	7.711
Citrulline_C13-label-3	179.112839	7.75
Histidine_C12 PARENT	156.076508	9.604
Histidine_C13-label-1	157.079941	8.385
Glutamate_C12 PARENT	148.060135	8.559
Glutamate_C13-label-1	149.063461	8.566
Glutamate_C13-label-2	150.066666	8.599
Glutamate_C13-label-3	151.070282	8.553
Glutathione_C12 PARENT	308.09024	9.121
Glutathione_C13-label-2	310.096619	9.104
Aspartate_C12 PARENT	134.044525	8.743
Glycerol 3-phosphate_C12 PARENT	173.02066	9.48
Glycerol 3-phosphate_C13-label-1	174.024094	9.489
Glycerol 3-phosphate_C13-label-3	176.030716	9.506
Creatine phosphate_C12 PARENT	212.042831	9.799
Creatine phosphate_C13-label-1	213.046082	9.8
Dimethyl-arginine_C12 PARENT	203.15007	9.557
Dimethyl-arginine_C13-label-1	204.15332	9.521
Ornithine_C12 PARENT	133.097076	10.862
Arginine_C12 PARENT	175.118713	10.731
Arginine_C13-label-1	176.12207	10.729
Ornithine_C13-label-1	134.100266	10.956
METABOLITES_END
#END