#METABOLOMICS WORKBENCH cararolopes_20250320_104634 DATATRACK_ID:5758 STUDY_ID:ST003891 ANALYSIS_ID:AN006393 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 NEGATIVE 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 Serine_C12 PARENT 72528081 58825456 36603672 63808275 631924 53641125 91179731 60618656 70884906 64364656 5718805 94861981 34331566 82974506 92616175 82230119 88098256 106723088 1030712 58279819 86006331 9726585 91087331 122899438 85191444 89047281 72420594 1224889 72071069 1008529 9522255 12177425 72407575 40766803 78730019 98889206 83403119 8043315 93981544 132141862 9727955 1056756 79830519 111869388 78630494 849219 1762598 683641 5609885 73445625 68556225 Serine_C13-label-1 4891847 3915339 1851365 3338802 3409646 1807775 5274792 3349528 3388139 3533211 361797 5106271 2180074 4890193 4539141 453103 4674986 5440537 5905284 364503 4840899 4858811 5213744 807541 4864683 6053489 4134833 5618224 3612214 4453128 4417895 6146336 3544531 2069744 4317463 4900077 4580457 4017988 4218822 5180642 3970931 4749136 3484071 5112744 419755 3917868 799477 3164685 2834963 3294718 2981703 Serine_C13-label-2 766995 756126 185035 313992 266733 282726 1217071 391637 259943 245361 1279528 898144 231442 718006 756212 1236316 835954 1113628 586879 759314 694722 846538 1064829 1486369 612015 411919 433555 377885 77933 2533 649252 562651 276861 216379 792438 356854 375803 1827 688191 296124 283945 598015 445993 895613 577757 568721 201503 216366 199516 175945 187721 Serine_C13-label-3 301891 648893 405128 405963 527093 64853 803359 156163 333745 2876 570647 777742 366629 949971 1184936 781097 118177 125708 279448 773811 785679 773047 1191408 2130813 824964 1168094 842629 674362 854531 824873 758485 798315 981554 373288 89718 1065808 633022 1096345 1041582 721865 458339 1004551 660935 915186 336345 704254 152575 547917 309395 309675 396053 Retinyl acetate_C12 PARENT 2319560 222495175 206151962 91831781 232230825 95842725 274830025 231533225 64129275 123742138 155612188 259340825 100695869 252808625 71236919 135201112 16248815 16765825 112545312 243170575 323555925 182591612 153878012 267862875 120299662 131114875 19514365 24019719 114524788 104901362 1658405 93143519 312476975 146840288 3000693 193914138 201105012 264029175 137516188 121276888 103624419 339987325 1364426 2809958 141885462 2064786 38609997 65136925 123713938 125986238 136871338 Retinyl acetate_C13-label-1 48006728 49774525 499059 22037761 5078225 2367393 67534969 51462853 1652875 32904566 37478575 57844194 23456056 55846656 16136014 3009805 37576541 4316155 28136934 58149806 71414031 43603209 38702938 60973456 29888709 29743594 46869297 5985335 26702684 21918186 38416425 22156883 65701975 36564772 71496394 39701103 45747312 61893294 35043272 26593647 25625983 80685769 30496822 63038294 35306291 445023 10702795 151854 29156528 25074777 30933516 Retinyl acetate_C13-label-12 0 0 0 681871 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Retinyl acetate_C13-label-16 11291199 29228591 13236219 248398 34192291 13513306 16803022 55414538 17678425 44076628 49819125 537021 17886808 56432031 14975517 10158791 16538592 55296581 24757158 59668238 49504384 2296693 30808628 18605642 17758967 42025562 2984615 9416569 31781453 37619691 24828694 12650062 48230462 24045606 44917784 45412009 19481467 13026368 26695466 24533189 33385656 40299116 13122302 2949865 2248553 30587109 56433425 15045225 12753969 41764675 59148506 Retinyl acetate_C13-label-17 2157493 718668 2395616 6442026 823188 3734704 365575 11733007 3584845 969825 13704812 963918 4667911 12386252 3235998 2551008 3354784 11434606 4987724 119245 10878877 4944597 6371079 3583608 5026514 7318407 6264261 1617584 5598291 9060966 58321 2637053 10378113 5309458 8971572 9246178 3953606 3022667 63014 6459219 731961 8286543 2145525 8328944 4145764 6985325 12186421 4600944 3081635 8984335 15796173 Retinyl acetate_C13-label-18 0 0 0 0 0 0 0 0 0 0 978708 0 36409 749143 0 234958 0 115258 0 580436 778673 0 0 0 0 485469 668059 0 0 0 71801 0 0 0 0 0 0 0 0 0 0 0 0 688282 0 0 0 0 0 0 563042 Retinyl acetate_C13-label-2 6366984 4169158 3999522 1961958 4847023 1767787 8416712 6463462 865653 2734892 2720359 6075662 2866869 6446815 825007 3234108 4391525 4465746 3330739 5350939 774503 436852 41125 5860564 2201842 2588377 479525 0 3922383 4021334 3718721 2278007 6929149 3316475 7738123 5025176 4485993 7595937 3689601 1826492 2050079 8608693 3544029 5963805 4008341 5208415 0 1438504 282048 2283551 1482863 Retinyl acetate_C13-label-22 457688 0 0 542892 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 63673 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Retinyl acetate_C13-label-3 367845 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 470773 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 Retinyl acetate_C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 669946 0 0 0 0 0 0 0 0 2-Hydroxypyridine_C12 PARENT 6458952 5378926 5086888 7706369 5924026 4759226 7215388 5766886 7104965 5996136 604385 6134391 3099467 6216836 7253117 9249506 6688882 6042381 7174903 6228491 572178 617905 7075599 5579401 6187202 6178504 6974768 5767516 7116811 6904288 5871086 6301592 6316789 2164918 6881095 5852093 5843803 6632743 7473014 6581499 6728448 5504386 728571 5000589 6702573 5082228 7465274 5707694 6166334 6830206 6867936 2-Hydroxypyridine_C13-label-1 182366 104794 134892 281181 315995 20727 176551 227732 190875 112048 203805 185877 117472 453381 135772 481007 189401 140571 27816 264919 21567 224259 333721 189548 109519 195682 286389 434485 182205 439546 221338 232901 17453 0 160355 278934 0 113367 179723 27683 235525 217137 261532 198471 221577 210369 213215 151724 163692 132175 152672 Thymine_C12 PARENT 812182 1562398 560336 2068629 1636233 1424992 1349405 1748042 2245032 1562358 1304502 2890669 642843 942427 2558103 1220876 1588652 1546161 1200641 2063394 201948 1331299 1832243 1947065 1557674 1238708 1527217 2490399 208287 2093858 1494758 1382399 1733533 1435297 1972567 1697584 1539183 344824 230615 2311372 2259975 2813712 2314049 3008062 2077985 2034401 669176 1888565 1646666 154718 3935364 Thymine_C13-label-1 0 0 0 0 160899 0 116192 166698 0 0 0 164704 0 0 163555 0 15561 0 0 0 0 0 0 0 0 0 0 119435 15144 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 151771 3-Methyl-2-oxovalerate_C12 PARENT 46434855 330396175 250238475 54202055 375154275 45111915 57236295 44918345 46463625 340991725 44051585 384245525 1600222 5137772 3061116 316544475 307916875 2988722 4015503 48078515 6622582 406631125 58193635 3789830 363312325 337194725 3874338 2605012 5538193 5402819 6513140 314950525 67454215 1464483 43723965 390364125 4141980 5811030 45400945 50388355 44267965 4714907 44749665 3412451 4766390 259518275 60355325 4235896 353418875 5420109 64786065 3-Methyl-2-oxovalerate_C13-label-1 31278934 23719667 16849389 36237503 25880938 30745409 3816805 31094956 29100406 2195933 29151038 29781481 10920029 33506103 2019448 22562186 21400155 19896583 28427553 30433322 45290791 27863991 40835722 2547697 25232175 23721014 24896469 18199662 37441784 37183959 44079347 20261356 44973209 10833041 29023822 25069895 28794638 38502125 33362247 33874872 2886665 29579962 31876009 20304106 33402525 16279164 3477429 29447994 23542725 36964647 41132291 3-Methyl-2-oxovalerate_C13-label-2 552345 332623 725612 1362271 978138 891259 106119 777402 948035 267502 825294 820397 174689 69261 517648 636114 280576 525073 45303 446084 1427823 315059 350197 481869 90569 774537 546774 356825 1011892 723371 1230798 678084 755346 22413 715613 1005298 727093 1111214 1009044 1304248 790574 94186 76717 572561 735827 331268 0 833305 255278 100438 1295764 Thymidine_C12 PARENT 9659649 8577471 4231375 11904112 13437855 10612198 11899141 13083073 13158555 12052009 8252868 13953116 4781229 7259733 18035248 989789 14061786 9236771 12916734 17969502 15700664 11945752 14870081 14337175 14465142 988491 12693651 22550961 1695748 16682455 15208377 11969412 1496302 9327994 16164925 14324948 1142275 31195372 22505233 15580355 16838406 22674062 19614695 19486595 16926769 15333958 398366 16466705 14532727 1687288 23126606 Thymidine_C13-label-1 864543 72007 180946 1037947 1446803 488424 1112669 1357468 1252316 743457 870101 1296694 172838 753197 1786123 921327 1461787 728401 1241338 1890683 1632227 1155601 1198225 1697941 1214964 952703 1350991 2534899 1377579 1893851 1224941 128192 1813814 706277 1754138 128053 1552589 3374246 2702163 1370591 1735892 2181273 1908615 241696 1645555 1564634 15491 1788235 146292 1434109 2629788 Thymidine_C13-label-8 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 15993 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 182839 0 Thymidine_C13-label-9 0 0 0 0 133225 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2-Ketoisovalerate_C12 PARENT 60852581 57191981 30293116 60444819 51315203 43867191 71844756 60982406 71909019 51918434 54795106 62448056 27897203 60721019 47951447 62335356 54479706 40015272 42348397 57627356 80032244 55754556 72781644 64918569 52905519 46962762 50722234 39626116 65038119 59173919 79580194 59551838 82555025 27750697 6298495 54501044 51059897 65112031 53456388 55640856 49203284 60338269 5977395 59116931 55334894 52821194 9586276 48811247 48083816 61789638 86363331 2-Ketoisovalerate_C13-label-1 3654853 3595164 1829586 3390993 3125829 2897468 371525 3801046 3691531 3351881 3093655 3762617 1789657 362714 2656527 3869839 3026608 2612626 2508734 3387227 4614457 3393067 3731327 3837295 3145413 3301439 2902519 2693052 3842654 3038545 4728033 3160364 4745349 1698973 3590823 318047 3011519 4131456 3261617 3443397 329888 38587 3474298 3230421 319936 348651 935184 3246595 3109612 4098193 5148768 Uracil_C12 PARENT 162546 13259873 4194269 17535712 12976781 12201213 14521661 11885768 20914356 15026342 10198188 2580588 3447478 13150294 8666788 13788811 10135748 10369468 11610251 12740062 11687909 18131248 8685816 19300181 12630979 5947303 11900651 12838529 11992268 15735411 11915724 6566335 10560204 4766439 10381169 7808919 8115466 1378245 21528581 1717673 19215238 21179836 12559232 19800186 29608278 16008819 273901 22402238 10507384 14954486 24449725 Uracil_C13-label-1 769026 405363 139757 85613 671177 633449 769579 408178 1039731 422104 436096 1283812 117201 788913 238142 789548 368487 43966 602889 648462 646646 750857 38076 1018301 566693 226202 608204 496053 49667 729134 449384 22596 298599 266536 496594 286413 374381 651619 840644 989185 715342 1012554 43593 976621 139127 440437 131556 1169958 320581 89234 1243932 N-Acetyl-phenylalanine_C12 PARENT 282811 157035 1252786 2794226 3777789 2745013 2394597 3563206 4399452 3873365 2296626 1843018 1680326 4224225 3583521 460803 4782455 412327 3159513 7674157 3821657 2304021 5292002 6626001 3889474 424596 2325309 7751341 3040188 3144849 3665519 4854459 3555534 2136939 3075792 3539667 2161918 3166363 2906628 2857982 2428913 2647991 2799354 2389553 3221347 2546004 1905333 2577781 2652659 2803102 2764273 N-Acetyl-phenylalanine_C13-label-1 169985 190324 113998 186566 439196 207277 383615 166348 230347 233994 169967 219463 170891 258815 576751 493642 549204 440397 297941 1043804 430146 145328 458304 808059 217154 397073 189892 905373 224445 183449 333543 536082 248459 349098 195757 582836 186119 22246 236585 17479 214509 183706 195462 200431 176131 17877 0 0 27847 213111 193898 Acetyl-tryptophan_C12 PARENT 1776064 2232715 1175294 265238 3057233 1957413 1982898 3246454 4932233 2879622 1880355 2313512 1117718 2967379 2762526 2103128 1683978 2816823 1748706 4068284 5123925 157112 2665255 3624332 2375412 3703554 1551184 2262526 3243601 2754642 3038142 3837345 2456555 1046548 2296089 3000131 2601888 1967965 2149568 199424 2917104 2072697 2250879 1930612 2257101 1973692 709652 1969302 2317447 2665913 2607102 2-Deoxyuridine_C12 PARENT 12589901 10486371 5340198 14057989 15266855 13152981 13097178 15176005 17412528 14873039 11069319 14951064 4972607 8770723 21479817 11683022 17034642 9667235 1214129 18364064 21551464 15713458 14232239 18346355 15816681 12137224 13847027 2596885 2196982 20793373 17004777 13598934 19375742 11343427 18133558 16831706 16517202 35035228 31208941 17985177 19329375 27686341 24794483 26428912 20084202 2075285 4966491 21390189 20555817 20476405 27852284 2-Deoxyuridine_C13-label-1 938545 1217402 777621 1438157 1932438 1273858 1438196 1488324 2088655 1554307 1274767 1421735 514738 697886 2068187 1100618 1222267 1296135 144991 2076542 2430509 1334394 1825974 195438 1479951 150369 160671 2793884 2124996 2035835 1706248 1253455 2182259 1009952 2163997 1900717 1643923 3856571 2740419 2147121 2302497 2771145 2493935 2543323 2188695 2542728 547205 2362029 1898985 1844014 2916863 2-Deoxyuridine_C13-label-2 0 0 0 0 0 0 112706 141585 0 131852 0 0 0 17721 0 164574 0 0 212417 0 0 0 202853 0 125748 0 0 0 17688 144183 120757 0 191613 215828 176316 236562 0 0 18609 141077 185763 0 0 128155 0 0 0 212171 134797 0 188439 2-Deoxyuridine_C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 134359 0 0 0 0 156608 0 0 0 136558 0 0 0 0 0 0 0 0 0 0 0 0 0 0 14254 0 0 0 0 0 0 0 0 0 0 0 N-Acetyl-Leucine_C12 PARENT 22912989 4046828 15073345 12307075 15724928 85850 32727244 16570686 8581298 7684898 10362126 12326965 3348518 42114147 8810401 8344847 844108 15172006 43447697 70744419 12510227 31127803 1160008 14605662 40401903 12716209 18446339 9068429 7357023 9188657 70089531 19860127 32803566 12356771 14984302 106117038 442699 11927038 876324 43939916 25152888 13444536 11881722 8287478 46435084 4847053 166358 12700443 9225566 15126867 219810175 N-Acetyl-Leucine_C13-label-1 2061552 164337 1099455 954908 1087624 329302 2952967 1415706 625005 252078 1048983 82697 147364 3686139 298095 653808 31142 1252911 4489132 6776327 1452061 2550235 682083 1286126 3072529 797969 1645995 607087 680534 902644 6366454 1911741 2929288 624164 1234439 9008274 4129988 1194132 456431 4056628 2033648 1155766 1159095 715374 3627409 315893 0 997825 745373 1035995 19395552 N-Acetyl-Leucine_C13-label-2 214824 0 0 0 0 0 218329 0 0 0 0 0 0 449498 0 0 0 0 315092 260751 0 0 0 0 0 0 0 0 0 0 283121 0 0 0 0 256757 23037 0 0 469259 0 0 0 0 404335 0 0 0 0 0 392763 Isovalerylglycine_C12 PARENT 644592 2468169 3869044 5768558 6294957 5462742 8502637 5730922 3989071 4365461 4555354 2875958 1649756 10827582 2749978 4078095 3721511 5351616 12088023 18887364 5275371 10240753 4754553 3193465 8843424 3338062 5981361 2094957 5306414 63448 12452894 6305941 10948278 40516 5322862 24694142 10171768 6642923 5633048 11323137 916896 3471809 3350593 281454 11583804 18187 1092511 5046586 5553256 6040055 62678269 Isovalerylglycine_C13-label-1 618366 0 0 262341 422953 201772 454231 226547 0 0 32461 198466 0 857426 0 200442 0 235662 1102218 1639742 83778 634032 192685 188407 765175 0 432642 0 30039 229935 937825 412333 1184046 228198 266081 1813703 917454 45014 161636 1017604 540777 0 0 0 980644 0 0 170564 204595 426651 5064093 Isovalerylglycine_C13-label-3 0 0 0 0 0 0 0 185548 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 0 0 0 0 0 0 0 0 0 0 0 N-Acetyl-methionine_C12 PARENT 3721815 241979 1377889 3842852 3221699 2740054 4378403 4494795 5287566 3696079 2856433 3007537 2733444 5928417 1995906 3821615 3254228 3518321 2695547 322718 3663927 313902 3528538 3471766 3246693 2242446 3667501 1701551 3253374 2909854 2296228 2115774 2477935 1480929 255621 2937143 2340902 2101809 346283 2876121 2625962 318036 2550687 2144936 290813 1931222 547279 2612351 2163708 3005356 3493869 Pyruvate_C12 PARENT 1151711 121225112 36436709 9784625 108639238 7377375 1000175 102099469 91413619 81410144 64945569 108491162 26996516 94612081 54254844 90330419 78745244 38809016 53627044 73404144 62686194 55334475 61406969 65024212 70599794 45581959 126341962 2433148 57053594 61555144 88824594 46841172 101582669 45142466 59885244 438534 74205744 81625306 55089769 121361338 64495231 53648919 57710588 5726185 646767 36824616 6984916 514065 24227958 52563669 54892669 Pyruvate_C13-label-1 1022676 11867952 3159999 7241575 8743435 5401564 7206385 7186659 7071895 5362811 4589627 944777 2140562 6922554 3257182 6136487 5027044 2235631 434716 5777409 4667256 4012023 4454396 3682728 4502776 3093837 8378965 163471 3311256 3370998 4830932 2532344 6376007 2969161 3697536 243438 3579849 4092814 3235435 5848979 3062782 2836587 337966 3530893 3258679 2302999 391057 2772947 16183 288983 3298156 Pyruvate_C13-label-2 5496784 5707707 1493059 3474648 4699826 2263146 3617454 2931058 3650707 2620606 2355886 4901457 1239216 3445088 1077811 241654 1987414 895107 2552338 2817778 224097 2063707 1882877 1529395 1877469 11734 2940848 0 1316072 1354766 1678888 808092 2445362 1086818 1617428 77719 1565075 1222419 1170231 1747642 966697 1294205 1236453 1449662 1152544 1282209 127876 1007332 592679 1128561 1007784 Pyruvate_C13-label-3 10154077 13663589 3695566 6864106 9001241 6186196 8413006 6200948 8714262 8136732 5811725 1425175 2767255 6864334 5924511 629505 5713549 2152017 5515347 861037 7510309 5727206 6493491 4773105 5296914 4517309 7983663 313443 5631944 7186673 8318009 3871714 13314022 4018597 5679975 4429148 7518991 5887429 4898692 11422597 46818 5202104 7358918 7603116 5493934 5080599 1055723 5030524 3553793 5327444 6196553 N-Formyl-L-methionine_C12 PARENT 5483972 3119612 2576716 5998629 5540654 3875839 5162031 5564503 11356352 7601822 4537978 1821661 6302455 802367 4078911 7594684 7224982 8034436 3809293 9991427 10352779 6198184 12422387 6284924 5954385 4651911 6099956 362688 5892353 5336039 5529891 2630761 8522799 2410082 6754393 9782398 7815184 5307236 6315762 7138199 4455885 5167525 8346084 2664735 4263259 2509024 684569 6578172 6133831 6810477 873318 N-Formyl-L-methionine_C13-label-1 61793 292768 761413 1180314 1344492 389936 958112 554235 592735 507113 518364 950112 541212 1114798 1296777 1394731 698498 861899 1374326 2723451 1544823 594034 702681 124079 12927 976163 738651 539857 658928 1150527 683945 1043214 983741 290238 1357826 1813804 1518703 521719 718187 869199 810782 819018 747762 347846 703423 649054 247382 795414 865901 863783 63868 3-Methyladenine_C12 PARENT 2756027 3717732 4752136 4494025 49841 2943286 3660338 1790608 187619 4584753 1700125 1749758 3103844 4956638 3393698 2745344 3781107 5748569 2878462 4115311 1661415 3655436 3311618 1905729 5716628 4244634 1693026 5209789 3059737 3357312 3449274 3559399 4445775 2276553 4734796 1591129 4493097 5385261 3307188 432573 3545173 1906796 3535731 2098466 5524853 5584647 4724256 5029236 2200275 5621592 3995806 3-Methyladenine_C13-label-1 0 0 200062 0 21896 0 171105 247657 0 0 0 0 0 0 0 256129 217569 0 23429 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 164152 163692 167615 200524 181889 0 157327 0 0 0 190288 0 Homovanillic acid_C12 PARENT 875241 1311998 4477897 9829919 8425871 11930306 9015402 9083866 14363138 11765119 8691651 1977337 415082 10292319 7489046 14200252 8006024 9180463 9369184 120794 1212751 8132267 9190423 11264271 11011671 6503062 76623 29383312 13849975 10174996 7887727 11468712 8528544 4662805 9361504 1002998 8030289 1091006 1114529 10425463 9596352 15385861 12040665 1311553 11233807 13230086 2603238 987331 9284562 11287101 16431697 Homovanillic acid_C13-label-1 949245 1336104 276349 1025475 1137285 1070535 1051652 1236547 1650738 1158614 883029 2010504 394093 1019807 88929 1346087 794481 117185 1281362 729386 1240884 797629 865862 1114922 1182615 956085 884804 2898869 1406632 1029986 750739 1037426 591352 640279 980721 675821 1007756 957263 808686 935607 1007021 1447518 1183417 1313734 1123114 1512668 0 1262727 877521 1202665 1614172 Uridine_C12 PARENT 18851602 11473675 5938502 14966238 13644186 19777989 22638367 13290045 12708698 11629141 13160858 19819258 7199231 14549684 1353578 882119 6907874 9441206 22966688 13265731 19037952 26946659 1771488 18736142 984516 7347206 15621562 15077694 24107545 12248534 23056938 14418714 26550303 14291233 19696645 16813127 180922 24630975 28267684 32731578 37989266 30487878 24069967 18124258 28570947 14974339 3338875 28772069 13220928 23543005 13054516 Uridine_C13-label-1 2424031 1241964 689393 1616344 1587054 2007195 2216762 1380138 1098256 1432563 1667388 2136083 575024 1704175 1715699 1072345 716693 935363 2341978 1043183 1871823 2931149 1805539 2201171 1635651 853609 1706628 1639156 2610456 1158063 2381706 1518587 2657448 1472141 1996809 1655318 2069801 2374862 3066781 2959875 4081579 3086751 2369841 1775109 2902023 1213878 603673 3177887 1412785 2548102 1311752 Uridine_C13-label-3 0 0 0 0 166979 0 0 0 0 0 0 0 0 0 0 0 0 0 183752 0 0 152052 0 0 122744 0 0 0 118197 0 0 0 0 0 0 0 0 0 0 0 180909 0 0 0 169798 0 0 13255 0 0 0 Pyridoxal_C12 PARENT 7218648 7745051 4221156 7724654 6460542 6210225 7689843 6612163 6447857 6067904 7658007 612567 3093665 406063 4003388 6048027 4510234 599913 5176387 55750 8195193 7622012 4568953 5922411 5359733 4329328 6161477 7869394 4045951 4812748 48609 5586367 4064913 2419303 5360785 4048396 4230106 4325589 4815358 651935 512707 9578356 7321027 5689091 463967 5296089 2037108 4491967 5174754 5390977 4733618 Uridine_C13-label-2 176817 2503 136234 348426 55948 171518 273742 262683 172595 263031 292015 429348 163295 183859 353992 248631 199034 190507 273566 386617 245775 171171 278606 214402 202354 32914 168626 152283 372803 174365 170378 158593 354809 261479 246682 529144 201621 19434 179332 47133 183134 555177 169227 124062 68077 19202 194238 197482 183181 157621 177533 Creatinine_C12 PARENT 24414205 17630805 12009454 22774238 21952761 22732795 283561 23481958 27737706 27104222 20142458 18899312 11552112 201591 2385968 3736875 20011148 24559808 2001902 28643981 25799567 30724175 22398008 27681697 31576078 16204602 22903812 14252556 27769725 30470538 20773888 22031483 25816652 10674855 21429098 27259278 22781062 25968805 26975881 23047792 23843925 28150203 28826166 22939031 289118 22849977 4744846 28297247 23859338 30022503 217120575 Creatinine_C13-label-1 1017741 699453 403418 1030587 783271 722798 1135729 700298 1195338 84444 958813 713812 37885 960409 10086 1458416 644088 1220419 1009087 1066404 860321 1386728 921927 860939 1379082 693501 1162833 707485 1067297 1352295 816859 1013956 1054265 217002 970332 1040098 872928 1175057 991129 866913 1137592 90982 1306874 1052789 1311739 676131 96657 1374645 829931 1323195 9476716 Allantoin_C12 PARENT 49546255 351812575 278047275 4907124 5427980 44503965 53189015 54287395 55921305 5039377 384922725 43465985 16748415 54726985 43716815 67752815 50438205 49403765 50207715 67294615 52435085 5992410 53303815 56720775 6258760 3840328 50175145 8448577 42404615 4241661 5200084 307170025 56076965 88442781 47643265 53926075 46066145 51194605 48170595 53304135 3910094 68635745 70319835 3208299 56660615 369569925 9185085 50772235 51348675 5818822 23452136 Allantoin_C13-label-1 27409516 19154358 16613888 28108897 26943931 24777348 28456903 2797845 28611366 26608125 21907088 23315338 12093262 29326006 23430506 35623462 24328027 27081328 24950952 34701375 261312 31231016 26387684 30145741 33692128 20459677 27988122 40907928 23440998 23593225 25968405 16275842 28853966 6975729 26099938 27846281 24440205 27060125 26764466 29493797 2184508 3649375 36854116 17978423 30083916 20455055 6962498 27305547 26873581 29610691 1129630 Allantoin_C13-label-2 550031 453091 27929 681381 69902 472011 444047 52901 87318 78316 71056 198255 0 462377 766755 885267 691176 416062 301232 333263 513129 629962 49372 692359 614139 312243 707001 702319 72091 655873 576616 19866 970299 0 920795 188142 493592 316195 74825 841617 476703 767036 795461 208084 797369 636946 202135 485442 772553 476309 1488915 Allantoin_C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 155536 0 85286 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 Nicotinic acid_C12 PARENT 2623781 2772705 2076732 3400015 2723491 2960306 3152581 2611366 3142611 2734363 2895763 2973556 189929 243947 3827869 3636656 2404056 2836828 4772966 3140794 3748247 2986876 3415635 2426883 2746013 4150368 3621709 2613224 3009095 4424056 2403402 3020876 3278587 1728529 2736738 2888239 290013 3085411 382733 3011997 3397028 3138303 3276691 2807002 2797821 23563 3206176 2950559 2967363 3831172 2323581 Deoxycytidine_C12 PARENT 620864 204853 223635 240723 746208 240943 992217 1221462 811008 355458 164905 985635 446822 643794 977496 472988 638613 639327 1201496 1264554 1226408 769514 1021016 709738 712477 440384 386896 70729 254505 45481 884292 76947 593919 546603 686966 112414 429651 803891 678238 857034 758758 757141 536308 25796 790461 368079 0 359137 40807 53934 609059 Deoxycytidine_C13-label-1 0 0 17917 183092 0 0 0 208966 194585 0 0 138387 173177 175846 0 108786 0 0 0 0 0 0 0 0 120689 158608 201852 108696 0 167128 123009 0 0 0 16677 0 0 18583 155688 19607 0 215873 174406 0 113001 0 0 166157 0 0 0 2-Hydroxybutyrate_C12 PARENT 2552865 149597838 142607988 285965425 217246325 125512138 231809525 217073125 309358025 193854562 187155912 132136562 302491675 3799050 1067284 266484875 297966925 1616584 159534962 228094175 293273075 216784475 264814625 2235635 194611862 162346662 181526412 143036312 126842112 134165438 117284638 83418769 134796875 76528556 131973938 144365188 89103569 194510188 168837538 90104031 107969412 99059344 13082705 79046944 107848588 75408719 28302062 13892695 105783138 131550162 133866188 Tryptophan_C12 PARENT 119441238 104369606 88245869 159611538 166691688 154586388 129007412 183037588 1839483 165296762 157122812 112398462 77624869 130086638 233944175 11866805 106334288 169966588 107258262 205225838 286352275 171133762 1923216 248181425 176320638 221145625 130271412 172127662 256012675 248292575 232690625 260113725 188054138 101977725 238065975 192270662 201960838 2327880 232342275 156403238 183350862 226120275 187896462 14707635 162895238 94892381 56598894 172305662 177065512 2131447 170788262 Tryptophan_C13-label-1 14013302 12878727 1007808 18863925 2034158 19349014 15222789 20776598 20884398 1887928 18436211 1340537 8850707 15654964 27525894 14118095 11619312 1929492 12199543 23415052 33850966 21543164 21606912 27683172 20797508 27379516 15041869 20252562 30687541 30543678 26579128 32944712 2232468 12422754 27807222 22755755 24343081 26374666 27200416 17197686 20931964 2725545 2210787 17277814 20129605 11377421 5929967 20322955 20402438 25351925 19903467 Tryptophan_C13-label-2 60064 503348 206758 754384 738806 557623 211035 630653 967403 273734 70276 273627 425276 354218 773309 276798 28046 421607 416126 784408 1357013 633797 108283 1246488 878561 955654 226476 634069 1199032 1191786 601157 768587 353917 365569 769163 601201 618344 662787 607458 549738 608069 900316 365616 359244 444437 463706 191432 318593 386225 707006 389764 Acetoacetate_C12 PARENT 52676319 54723525 49947975 117028188 20465608 145195338 53249419 24430881 64230156 42831512 1224896 48059225 46107612 38801759 21621655 26202725 34449784 9431891 65974544 154295762 19401115 67830575 7369695 13102437 32738341 28387172 24032561 21088764 94414775 115963012 51759909 28986347 1458454 78859175 1212982 42162459 48161309 17540795 73900081 28431762 357402 64680894 54472369 29731016 41810959 3703185 3417011 79087919 164651162 88253119 8404365 Acetoacetate_C13-label-1 2993257 2731874 2398497 5606586 1237823 6055562 2288026 1386982 3583458 2341155 5767988 204525 2040647 2270198 1249673 1119102 1729329 360612 2646013 7025924 9058821 3335114 3510506 325744 15356 1386679 1399517 1142491 4320511 5385097 2378805 1607316 6224388 3312457 5842295 1935953 1954083 7224421 3576661 1400883 1940794 3088076 2096238 1358351 1808669 1886543 144711 3805071 8161629 395941 3876146 Acetylcholine_C12 PARENT 1012505 6125292 5590033 6747245 11607465 8213872 14499795 10639084 9729637 7999999 8167118 4379139 9034135 13606655 12216394 17027616 11265515 19511869 6217161 11016812 10128603 11098632 12441891 19706683 10688981 14395505 12824354 15591598 6334932 8389101 9605575 6172986 12471391 5714753 13789614 12388554 8176095 430383 6325099 7357716 11890263 6978147 4488226 5583331 9931896 7839188 2039347 3959254 8200056 5694482 2560175 Acetylcholine_C13-label-1 691722 433302 68139 62057 603423 808204 958903 952276 972531 321517 514471 37373 564058 1022707 1073421 1548117 852384 1404284 808555 530831 915695 930039 1077072 1600373 105523 1262199 1098511 1376769 478432 561395 72822 495272 651615 249968 776702 781593 640854 324216 346303 830966 820775 694833 366876 331162 893915 462635 0 134358 508828 266227 157395 Inosine_C12 PARENT 1691309 342287 652257 3622292 772494 1042112 9479934 639657 912004 784844 330928 406301 826711 15308789 323522 606342 356398 29395606 23012102 1522407 1744621 27636103 370224 17125967 316868 1748087 9019821 663104 637003 15600805 1390766 895756 1134721 1395957 1024265 9074673 6036346 422593 2185179 414492 2636539 24805823 789744 266381 291678 460991 71101 337332 270363 475772 1038494 Inosine_C13-label-1 131881 125581 0 221112 217298 120406 1157981 0 147236 0 198236 136206 122868 2225933 167547 187874 119892 2996815 2747215 227445 191343 3079435 0 2023967 108175 180594 1080278 0 0 193296 222261 0 155408 143986 221068 1258879 829703 0 16167 612848 391692 2734899 126445 0 0 120744 0 145136 0 0 179245 Phenylalanine_C12 PARENT 188430938 118664862 104245031 201785562 2075425 16934265 1996223 19889065 204106662 2006985 163934388 204170062 107755188 203224462 23372725 24669135 244484725 201905888 2051812 254301125 2911847 189871438 249790675 3168321 235862725 211180575 177683988 3464318 212027025 2322956 246715325 3842956 207820338 90380119 219003325 2232841 2077084 242923025 253344775 224356525 208643162 228395175 231991975 210632475 227135925 182857162 39212072 19508745 191901838 21215725 233761325 Phenylalanine_C13-label-1 17377222 11518941 9932091 18540655 20052575 16717064 1921597 19266255 20447675 19843614 1656267 18502525 10781328 18661023 22311948 23399688 24271336 1942153 19110733 24604325 28843178 1853617 24172812 31524622 23803488 20414806 17210234 31830103 22782492 22459925 23222075 38019991 19401361 8964912 2084693 21397423 20531045 23861386 2600745 21271836 20800967 23873236 22122081 20379795 21667338 17173955 3679313 18795275 18835938 20565123 23738898 Phenylalanine_C13-label-2 64329 479141 574022 837327 380904 808981 904298 877639 729457 620764 753511 813736 172569 363769 869721 1243348 1062223 875419 520326 397188 843247 591848 1032458 1280314 1023457 849305 507291 1175209 993125 1150449 919147 1923884 623364 0 865542 396522 644873 98348 723856 725234 871017 805326 610215 89688 771391 418707 0 823524 904762 654581 704589 Erythritol_C12 PARENT 419317 162546 132887 19772 422208 149204 362394 186374 200287 365771 161127 27553 147464 587199 153262 524178 382662 478685 197585 299986 158925 384087 499753 179629 545512 181147 360727 254597 134428 14874 195916 142774 18319 0 134597 36721 309137 123053 98038 377136 147195 288377 216631 147737 304677 167582 0 115271 15515 527947 1722071 2-Deoxy-D-glucose_C12 PARENT 23622531 17640388 12393527 12523854 17722212 18038705 19905108 18951448 186866 15781661 19789777 1603072 15063439 23537781 17933067 18049067 16690111 21108458 14764281 15247514 20432942 22877989 22401375 2323043 20312292 15442852 20423938 18369455 18176408 18039588 14574431 1742773 12308795 7207882 14167605 14140242 13621242 16897048 15905061 13247978 1377408 18622227 16631352 16379045 15011538 13386867 4434758 16633847 14751398 16048275 17411908 2-Deoxy-D-glucose_C13-label-1 1905667 1332795 993701 463398 1436167 1265762 1338582 1295927 1296989 955182 1596722 747488 1153117 1453134 1245638 985936 1349434 144764 1515419 1094638 1468034 1577447 1346953 1289359 1071208 487436 1739894 1131345 1474862 1191903 783074 878775 1000933 499638 1266804 1078276 1015915 1163576 1097716 794982 1075219 1117281 1423149 1393808 976753 685741 438238 1103434 780642 55312 1153917 2-Deoxy-D-glucose_C13-label-2 305034 251729 170445 564009 407126 458552 58132 252995 404683 377182 323135 28072 222105 348142 657464 811533 883719 530482 360862 510583 352019 448322 479908 1042611 956225 316402 266528 89982 302691 544647 374441 1417134 811556 0 4696 668636 557724 344502 462154 571914 366805 348907 291951 791172 58692 227594 0 29422 434098 510026 300212 Mevalonate_C12 PARENT 5952976 5036369 3003762 60683 4108687 4561729 5950189 5117327 6268232 4382386 6375162 5261007 2605891 397551 3425509 4584026 3130213 366603 4208328 3315919 408345 2955548 4269854 3686478 3147848 2135137 5034509 1726735 427417 4383672 5106964 3074609 4003212 2259306 3307837 3658696 3241801 4973503 4952244 4309187 3855047 3416831 4436011 3161041 5580575 3926929 1006574 443247 5117091 6444962 20390406 Mevalonate_C13-label-1 167929 134164 160167 169325 0 199251 223389 331535 209644 0 339273 237965 0 249196 0 258246 0 0 0 225739 0 301361 0 330815 115354 0 184031 0 0 208995 187877 242324 0 0 0 0 0 208048 234702 170273 219824 0 235581 188663 153053 109211 0 138648 186853 251797 1461458 Orotate_C12 PARENT 10063013 5019492 393485 7519543 13202148 3855036 11876866 12575784 736307 6894111 4074054 7788699 3962606 15037522 16190831 14488405 15727845 2168208 11782569 56355956 9946915 6113153 10870349 35283275 18717852 17603473 9999091 8297643 4847788 5234921 9442685 7651925 12542284 5948553 16697028 18151961 10434338 4599827 554811 11549341 984735 82513 5022736 6849815 10078649 5264884 0 4066772 3864981 4475361 25277838 Orotate_C13-label-1 1676695 753393 644402 1096833 2000503 610738 1804225 1634221 1341097 705802 487395 1239094 874156 236233 2033248 3172592 2270472 3224695 2004343 6771789 1370906 1015122 1829814 5931481 2252019 3197053 1236422 199834 599314 757543 1065748 912357 1513494 871902 2664477 2453358 1465709 538317 564148 1463413 106566 1312421 539337 833343 1560911 1004367 0 660723 467849 480448 2134553 Orotate_C13-label-2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1111347 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 Orotate_C13-label-3 279751 0 0 18709 278068 0 233804 0 0 0 155838 209245 0 0 166221 1508851 287414 0 0 1288054 224551 0 228181 568381 215158 324527 0 25535 0 0 0 0 241388 0 262973 249997 0 202328 0 0 0 211913 0 440838 14888 257204 0 179059 200126 0 187127 Methyl Galactoside_C12 PARENT 12836249 14301858 5451823 18108244 5835764 19110452 11531916 4882677 1219571 6957901 18518017 9721741 490852 11439054 2486073 7317936 6766247 3426866 15405692 25575856 23443636 13628411 13515256 2646209 7252241 3114209 6258744 30996 16218219 16929205 7916826 332388 14300508 4301178 13181559 5148236 3707396 21373188 10566781 5916183 6319993 774265 8301746 271752 6430186 176408 147282 14179877 16583267 23727406 14432273 Methyl Galactoside_C13-label-1 1717919 154873 769167 2603704 948321 2425173 839065 760127 796437 839664 1900362 160834 588444 119286 0 544831 485569 0 799306 2977298 2405099 160871 1504297 378762 341353 287236 897711 0 1135765 120885 427794 0 676603 327443 118567 476876 0 2197223 1192131 244591 420607 481913 448459 292233 441053 0 0 1132444 1813731 2903246 834207 Methyl Galactoside_C13-label-2 519662 493856 219955 937581 371562 739263 447039 389026 269782 279406 455992 430169 246946 310596 353891 397281 269676 253133 607873 1784432 64262 363974 431071 263715 203581 28317 235891 182149 308875 330773 29805 279776 372078 461133 71733 37567 434828 441127 404482 258229 488686 389325 254448 241317 286838 206096 208881 323986 338973 4538 422538 Methyl Galactoside_C13-label-3 559393 893253 302645 1566959 0 1655791 971741 0 5520 299202 1812332 1300055 219172 472641 236186 30152 356638 0 1115826 3405686 254593 1492207 1305348 0 759354 276058 357049 0 160434 957314 411852 0 1015346 237238 1081443 312396 334221 1570535 745601 281167 31178 367662 533897 0 379089 0 0 1257521 2107954 825142 1246628 Methyl Galactoside_C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 324538 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Leucine_C12 PARENT 281495325 14503225 1722129 3218171 3181318 311839275 322651325 304306325 2958336 2725814 2999928 25900005 198658838 331827575 3281542 263082325 367254325 2897180 389299625 3096226 55227735 3581837 47661735 42514705 354616725 337538325 2513100 11993697 3791749 410657625 347093325 9321776 3723084 14380105 365350575 347122175 3792046 411868275 4612871 3636858 3629746 316823075 3234146 324756725 396780325 2139357 44051825 316270525 3266742 3499190 337310025 Leucine_C13-label-1 1862763 9643969 12003085 2137173 22228692 21139375 220415 19290219 19588617 17557664 20525105 16803452 13536452 22125439 21557192 17984673 23991211 19397277 2579653 19645589 36451666 23475145 32789412 29153072 23278908 2194175 17023319 81440269 24770162 27520944 21629539 62267444 25955198 8811529 26112345 2301513 2587108 27769131 31487488 24029186 24692905 20494575 21745358 22227542 26626522 13146642 3169604 21069962 21136967 2275008 21914923 Leucine_C13-label-2 649938 216581 185464 464521 477859 662989 562289 507257 508001 409118 333771 570825 178797 690876 727161 616988 903661 508193 483152 403279 1064174 52221 792957 41141 550946 340796 445991 212177 657443 906931 866038 1531305 421271 155819 596364 846109 380714 862776 11400 712785 856597 630499 394649 691414 965391 197901 0 280238 715907 783447 714083 Cytidine_C12 PARENT 2962108 197507 1117796 2625164 3253491 3189013 3438307 2806208 3435112 2572244 2945131 4293948 1195997 2134903 2464135 1524906 165612 1498971 3167198 2117833 3009699 3619309 2148982 269557 2368802 1552881 178309 221324 3401298 2535606 3504985 1703607 4836888 2337045 3185485 2594496 3405436 2802153 4961036 5432575 4933296 4379442 3959766 38515 5719161 3068455 366458 3885418 2764877 367007 2604372 Cytidine_C13-label-1 16587 0 0 240344 253485 205303 532708 217621 0 23815 170656 453891 153251 227447 139017 0 0 0 259058 187777 299823 210576 0 0 116207 166333 145707 140596 359254 219677 200367 195886 18648 147183 184305 185707 210098 170605 248242 411695 501479 208187 679589 171929 257844 234422 0 218656 231359 213706 338604 3-Hydroxybutyrate_C12 PARENT 12538080 15367232 9284494 19628630 53373145 21435658 12592272 4801472 12618255 7506402 23125456 11525353 8574805 10566311 268398625 75534415 69682985 3207529 14742016 26908854 27847462 13185777 14508699 2750328 7025132 3380195 67804625 136728812 16068749 16232869 8261360 318266425 16943214 80574285 16135389 5687728 4161292 22412280 12400808 48355445 54627215 76300945 8544184 346030275 67535805 357105275 79637194 15682689 22964870 25688634 15245793 3-Hydroxybutyrate_C13-label-1 59690294 70797019 43181297 92950275 24599927 107042738 585623 22546638 541853 33387678 104509469 56089244 39063962 47453475 1066558 33445534 30401075 15214208 65104162 12999435 125440788 61905788 64216975 12535259 31081284 13953202 29064409 7345623 72453756 74799319 3646055 15451217 76797506 36535359 74143806 25155355 19240048 99544469 56752825 20615636 25922606 36593859 38269066 15022873 306167 17142795 3840986 69319975 111420338 11913425 68094569 3-Hydroxybutyrate_C13-label-2 383847 554382 1954134 3986859 2047908 3869132 3175534 935439 3882375 246811 325693 3903204 1190118 2200368 477871 1572602 1724165 0 1535436 3851755 3653617 120613 2825128 294256 1246045 505668 804196 318638 2172262 255523 1238444 385791 3123387 1339501 2716654 486191 348528 268691 1951833 60925 761294 2413106 2518326 269704 641783 403891 182727 3054532 3843038 3586443 2165994 Lactate_C12 PARENT 112700328 89864280 42646860 109874624 101904960 87642824 99343616 109629336 109946944 86832456 78746296 107589624 45283724 130932392 71686696 109655496 80831104 123941656 118842056 114030376 91402880 117062808 87537240 135725744 87481384 80837568 110208320 19187582 83770232 103373784 94839872 70348408 87022112 42917004 78006552 97270784 85795040 85134888 90303296 136337520 125641568 101505536 82524832 59062976 90424584 41723724 14425453 102926048 59185748 87966904 75516008 Lactate_C13-label-1 9537893 77929135 337071275 8492463 8429399 57594705 77162865 75735705 80283105 6214224 55961005 9280723 366014725 9036528 410920525 73544135 46596745 70822215 8567772 8833797 6821572 7785496 60839735 81084145 53816485 5388988 70130635 147118962 46143755 5549540 52266265 382807325 51589795 254518825 47978525 5232450 4582450 42729735 4679430 68881045 59746355 58415255 47366885 3645914 4704294 261475875 82487619 5552643 357536725 48366665 4467120 Lactate_C13-label-2 4929898 3728164 175647738 407928575 42256665 253675575 370711925 302890675 3783023 266479275 273177725 4690266 213902675 44512035 139989138 300725125 1923812 2528005 4745890 46433565 333856875 385510675 2940899 318711725 209483912 223365725 284627725 69842894 1582963 212714225 192460138 102662569 214863575 97732619 195335838 177476338 162580438 130740612 1552520 213000675 161502762 222398075 1707845 139026212 1473857 10208405 40605975 192628838 159326138 178792638 176957662 Lactate_C13-label-3 8762760 9059665 4240708 8561075 9073804 7026572 7666930 6866724 9992399 7940160 64691265 12757700 51037715 9731483 7075580 78339925 5651124 78183745 13819772 12815569 9555923 11437281 8658944 10108988 61755575 81109975 70941515 3942476 8041668 11887308 10035469 55226595 11161969 3889085 79150455 9577704 9004944 60836585 72792985 12638168 9259752 10249744 10327157 65219665 70601855 46903425 241669325 8784108 74010095 8591773 8475893 Fucose_C12 PARENT 9301194 6830438 8103254 7659809 7133045 5704554 8046688 6730276 7129226 6176108 6636007 7802274 3665098 6976459 8242009 12731944 7389988 7695063 8554886 6682645 711742 7258871 9207735 7537609 6294683 760577 7296962 9118682 7512155 8275588 7721352 7397727 5477843 3221828 7854622 7004537 636872 6993879 7740251 7800716 6934749 6866687 6905638 7454878 8297137 6917362 7578373 6672948 7035768 6697262 9509909 Fucose_C13-label-1 790333 301396 249517 745449 731532 201381 337748 486506 281983 229666 701489 558372 187257 510988 297636 1148076 710988 306606 338125 248349 407167 339754 1005822 3144 334185 321345 37433 715933 262678 345309 469889 541553 859564 19942 528318 533167 298797 358439 279099 530881 27886 259589 559656 516344 258982 583994 464172 499525 420708 501142 898397 N-Acetyl-L-alanine_C12 PARENT 12816277 7664818 4934636 11284829 10398415 720826 9777129 10507031 11868199 9090069 8041957 8067827 5637888 10606727 7450472 14901748 9327034 8423448 9221278 11481309 11935862 10098677 10954419 13799573 11093712 6742938 8624478 1022076 8652457 8436998 8660185 6563629 8296562 1080276 903369 8905634 7769331 9490476 1054153 8576979 700142 10437315 10231037 584432 9127126 5486638 1735594 9589601 8754846 10044941 12601709 N-Acetyl-L-alanine_C13-label-1 430469 320772 265319 703492 213981 297688 650279 647935 435798 383831 272505 667595 197231 656792 292194 388036 413483 302768 638855 313067 765165 582018 538588 100313 708931 39704 638039 399803 241865 492979 341222 21752 411396 1786 425169 288746 285841 45748 335767 227145 16485 53877 27686 249488 680037 391407 133344 335345 373526 385074 35475 N-Acetyl-L-alanine_C13-label-3 371448 0 0 220469 0 0 153706 0 15647 0 151079 0 0 15825 0 372327 0 0 0 0 0 0 0 263079 0 0 154494 0 0 0 135519 0 0 0 164989 0 0 13542 0 0 184113 157802 0 134142 0 0 0 0 141748 0 0 Isoleucine_C12 PARENT 158746838 81916506 102646481 189016338 172811962 190551038 194428212 1685115 16157605 153367438 177654662 13941635 112041012 1778188 1932024 156996938 217447375 178602862 217358475 1984317 315275925 231007075 291289075 0 2031044 212663975 1403753 51395315 222386525 4525027 197456712 216408075 241077125 87400381 238748225 199050938 210821325 2504559 271013425 195125212 200556212 187208638 18115425 1864894 2285470 126123312 24729077 190629762 208668462 21518045 196365538 Isoleucine_C13-label-1 10969907 5393929 6368186 12374425 11952777 13550327 12022147 11751938 12004434 9051128 11409357 9792876 6164742 12809875 13707817 9895432 13869145 12276834 13656659 13242844 21160338 15537903 2025067 16232648 12517262 13481975 9591484 351810 13509161 1607543 14517258 14827405 16132845 5419362 16240473 12224962 13777528 17637906 18192369 12899141 12714672 12388135 12391547 12466791 15300267 8269081 1751905 12491209 12760138 13732905 12756534 Isoleucine_C13-label-2 170784 0 174128 208054 249301 0 242785 0 187755 0 333771 202531 0 199394 185388 0 270807 155459 483152 0 524987 456569 558958 41141 173604 340796 239463 987732 308723 280154 267081 309291 421271 0 311817 248254 380714 598253 560735 211036 207581 216357 394649 243853 329555 197901 0 280238 593966 257079 412847 Methionine_C12 PARENT 40296966 31416309 18380852 33276094 31539072 299484 4944075 36892075 36165303 3207025 37701884 5298985 24200077 40971375 51446822 70509994 55351656 55453356 37018572 32978112 49738159 51062322 56176844 77577244 49977347 50387228 39615097 840013 38194822 41109078 444031 36891103 39530591 21678269 47270803 57959906 41151797 53692444 55848025 51557434 53570206 62033375 49318772 683041 48095634 54094662 8151985 435374 35909159 51827116 40312166 Methionine_C13-label-1 1403723 158543 337024 975322 1134821 1321962 2450981 1253467 1904916 1111997 1943574 2727779 586218 1815202 2232851 3554964 2574449 2828694 1592331 1684429 2681379 2158912 2619262 4157841 2393785 24392 1614566 3902062 1464226 1821717 2047984 1726314 2144433 375168 2074106 2735568 2205626 2022217 2813653 2191522 2765455 2829556 2177489 3617367 2101425 2894798 0 1856611 1545959 2324151 1040315 Arabinose_C12 PARENT 10943262 4809583 5769401 7719487 7913024 6320549 10740959 8757629 11866423 8771235 5982949 7731241 4427723 10500705 5239109 15359698 5804489 10443834 8370202 7130662 8582359 12718193 8140499 10012785 9324956 503693 8857209 4181844 5921329 6593522 5184073 432165 705323 208283 5409892 658192 5757046 6358194 6957413 6524516 5504947 1323953 11792978 5194708 8020941 4836239 2361019 7236188 7948759 8163674 30031947 Arabinose_C13-label-1 683944 367144 200968 519112 777231 621984 810539 69996 535196 76064 227596 222812 197569 840086 397775 964472 393079 802444 643876 493238 757946 761691 233945 605506 239072 21949 290423 229484 236403 318137 235373 202421 227588 162768 503016 267563 0 211233 267068 275732 245714 432241 956031 266559 499775 208271 17094 470723 286507 268398 1890129 Arabitol_C12 PARENT 6486827 4894408 2440113 4676584 4705639 4295722 5900682 4887564 5121006 4364969 4465069 6211286 2497252 4793381 4172746 7106699 371527 4894395 3907174 3783554 4339661 5880753 4179758 5903236 5901987 3493115 5595298 4212849 5029824 4679221 5035708 4580594 4367706 2345691 4258555 3974703 3521302 4227052 4851198 5729948 4152198 5584511 5290186 5984561 6126434 5551566 115084 5292158 4817964 6580804 21388961 Arabitol_C13-label-1 1147136 969243 286196 920203 547801 700029 117809 318927 836834 550107 70148 1282928 257179 879399 253418 1022345 579694 469124 665555 459675 589043 857483 818591 102033 700643 290541 551677 230102 517165 794306 679294 497235 941059 208339 571589 267719 795025 238597 461766 710954 81921 926925 827882 903371 907661 89659 0 824078 615678 542219 1567881 Arabitol_C13-label-3 22039 0 0 220229 0 0 232886 0 0 0 0 219049 0 0 0 0 0 0 0 0 229753 0 0 202276 0 0 0 0 0 184038 0 0 0 0 0 0 220815 0 0 210396 0 0 225867 201024 173786 169134 0 0 0 190747 0 Arabitol_C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 189595 0 0 0 0 0 0 0 0 0 0 0 0 188266 0 0 0 0 0 0 14573 Urocanate_C12 PARENT 29389416 12895925 7668415 63297994 50223659 1814003 77301669 34390478 71934675 57192581 9255551 110455962 8727856 577725 18725525 35372184 10221425 89066631 126565412 43010384 34599066 99838306 4380135 43527553 2402507 16252702 14825653 118962462 31405878 112243625 1392003 28978828 18322323 10547782 15803627 2523712 13749302 30752653 62088356 1574312 84940856 100835125 24872206 15424345 26948516 1319665 1476588 34907547 10514218 74223981 40176059 Urocanate_C13-label-1 2041743 724436 418848 4108988 2885218 1258177 5046198 2121948 4502145 3792997 750291 7607804 478206 3492612 142333 3166841 737913 5693714 9013918 3327629 3029526 5965591 2857149 2978907 1515715 1425465 1515256 8511147 2254359 6838134 912625 2050069 1820441 529919 986847 2438901 1640202 2202697 3983161 10357878 5593077 6528302 1866524 854767 1882965 733637 871785 2240721 599696 4794019 2959412 Urocanate_C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 167073 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Acetyl-serine_C12 PARENT 180398 829743 9025254 13608738 13414052 6773666 19178983 16155261 18370139 11750405 9276352 13728117 1574047 19152088 11030159 32365684 12176009 15437428 17869608 15412397 14281727 14747414 16159456 22364656 16132755 10673734 15114623 1854402 10988748 13198038 14477512 16538386 11395806 1320621 12354169 14131372 10458721 1248289 14172594 15367189 11305462 17745888 13999461 10606348 16105245 9879591 2775135 12104334 12169004 13506205 30357584 Acetyl-serine_C13-label-1 888412 241726 702269 540361 440501 421656 1399416 81514 912412 779871 331617 601008 0 10025 393944 1731882 33821 883285 1215401 589401 869517 56384 602661 1031573 825155 575024 559688 712588 416787 635569 886552 764419 460608 0 251865 570665 29828 764756 816566 732175 583704 1056737 596047 579648 785298 614914 0 573794 876509 317268 1451663 N-Acetylglycine_C12 PARENT 116850788 42263484 56912056 60076694 74476425 58305719 123098888 58780594 58584356 51381562 59998744 756335 31246141 1543556 4820575 80473856 760693 65089369 2329798 86742681 817261 9164725 942260 110613675 1196961 6665515 65913381 15113825 60295606 73766606 1641925 88140731 83711719 30175703 82562669 1905047 153806262 57210444 54294625 126815088 93524806 8317525 64867119 59218544 99979056 59577119 7811304 64552406 63627681 61367819 79262669 N-Acetylglycine_C13-label-1 6064022 2391215 2615807 2865495 3509514 2914759 6802715 2527459 281812 2661381 2858453 3438233 1442707 7705977 2438571 399482 3820293 2943227 10338069 3983673 4130184 402965 4469126 5709393 5281682 2715956 345075 306073 2461765 3022788 7428134 4563763 3743862 1652312 3645852 8925948 6586568 2493659 191667 6189114 4935873 3795714 2398202 2793465 5180574 2745534 99812 2308679 2796458 3169831 3587981 Pyroglutamate_C12 PARENT 1565298 90693581 72945881 192363362 124240312 117328262 303819525 130461588 196526512 1413265 99381731 179204662 43780575 2231299 119085712 182535962 95587369 262774475 3050784 17913855 162584438 314534875 192391138 2222206 12919855 10675135 123340162 2803437 149986538 308542875 115406212 11977105 110029538 1171742 112889662 125263088 102576775 15285415 230543025 363504675 210170575 3305264 129307312 115675512 16795175 100613756 57981969 152307312 106226112 210241025 190446288 Pyroglutamate_C13-label-1 12143356 7165896 509105 153449 10289431 10347743 24305145 9252998 1479647 1071244 8159659 13179817 3657032 1757448 9313827 13356189 6500551 1738957 20222861 11250068 12510727 21874495 14502758 16348908 868699 8481718 9955091 168907 10465934 1951287 8275587 8452855 8606587 1717125 8793385 8042196 684102 10412316 14707939 23635238 1399838 25004888 10356815 8505591 12250199 6863038 3653634 11156409 7869034 13207114 12299134 Pyroglutamate_C13-label-2 4678987 1851592 1851885 4943433 2669066 3406233 5760896 220582 3826838 2441874 3339891 2309692 1331465 4488643 2609403 3537745 1707996 3500937 4305331 2283799 3641026 4766964 4003904 4188087 2491706 2705567 2963709 2426703 2646408 2685979 2552937 2036292 2005722 2282 2553296 1637754 1875519 2186814 2792453 2523207 2600704 527347 2466147 2224255 3211922 1565341 269858 258939 2266192 2301221 2336665 Pyroglutamate_C13-label-3 1234097 245639 244508 1198528 65076 579821 1595739 222913 621175 398441 613695 574936 184077 994493 510835 320456 526491 368414 67488 50583 586839 112833 573666 1064639 572355 722932 706996 212994 295027 604684 474878 188549 210307 0 43907 192294 299042 65293 394971 601975 718894 1078281 548278 571004 1040287 59877 0 662958 540777 230621 359333 2-Keto-3-deoxy-D-gluconate_C12 PARENT 1658633 1162192 844408 641869 434484 1403504 2087829 785754 56401 629912 947496 654562 223489 2014021 2082744 1183553 1095178 1751518 2795637 1303016 2280525 1452313 1902127 1729819 1542357 1935088 1794557 1297718 1456743 4113715 937567 878582 1874062 197188 31906 1438834 1646559 1906301 2711617 1652724 1674639 1998084 1952458 938146 1427743 1384797 433964 2267154 1264309 2436879 136994 2-Keto-3-deoxy-D-gluconate_C13-label-1 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 197039 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glycerate_C12 PARENT 12148591 6707302 11440635 6588592 6981354 4410542 11778159 7246801 952334 5396075 8288788 7877949 1897456 6840416 8534773 26440638 740967 8518052 8401927 5937101 8146836 9791335 9323313 13253677 968756 6922834 9020962 8652595 7870712 10597016 7296522 10705525 6281033 3780642 7391568 6903949 6324592 8115554 9611556 8578172 647486 9356174 8217266 896643 8450776 8542462 3991538 7123323 11565171 9696246 7524705 Glycerate_C13-label-1 829421 228676 499703 221273 504944 186307 784241 377469 337246 219329 558116 522272 120354 429742 253933 15949 201852 362222 23688 226643 64738 651164 263861 897055 260294 537581 522457 192238 229125 302364 359462 448664 255087 0 203767 270767 165592 236576 416647 293255 225618 277579 415749 250913 204236 49168 158833 14821 384756 209045 359294 Tyrosine_C12 PARENT 61761562 108924725 36001141 70808581 76963031 77877744 72577231 69018769 77735925 709679 70761819 159929538 31573681 67297019 96599669 7719875 82351231 82251031 68171369 893988 123091888 67938481 88290844 112652375 83772025 96483475 68573656 196745162 95647625 91889381 952787 1722493 7562075 422108 103387669 105952488 91340081 90101831 99504619 88990594 87435431 101064581 88957175 19469985 90131194 149778288 17278433 7494105 65560356 77370525 81960281 Tyrosine_C13-label-1 6053386 9390195 2815688 6205833 7329098 7019109 6373733 6901156 7285733 6522082 6204872 14220627 3011134 5646814 926899 6853763 7918317 7618094 6659839 8337372 11125625 6008619 8317012 10413127 732767 9184656 6404688 18379036 8673755 9005948 902308 15959442 7276573 407997 10085134 949496 8196621 8899027 9008652 894612 7368504 10564826 8514751 17422555 8227374 14102858 1492275 6497827 5562957 655255 7629256 Valine_C12 PARENT 104491825 572680 56827769 112450462 119910338 1119540 118588588 109881512 118418212 111895288 104789869 96967769 85184906 127536762 130337888 11071095 155771638 129372988 131835162 113257862 182293788 135761862 1811798 174958012 138076425 137359838 94644131 4507216 139317038 149864162 1423733 3480044 135456362 68950569 148754212 1496233 142468438 13756245 1493418 128702188 133290538 1199329 1158693 117566638 141186262 82624431 192276 104219694 108627312 120642912 128047175 Valine_C13-label-1 5418993 34645 3469757 5771742 7682808 6468112 7344949 5665123 6870615 5403452 5443981 5240186 4724814 7251609 7603376 5968434 7352479 7260797 7274841 6752751 1056704 7143345 9474906 9889749 7903296 8410824 5318486 253562 8064838 8229912 8475395 19548542 8366202 3386025 8656041 8539041 7325951 7525908 8253552 6559402 6707854 6946527 6370359 6054186 8228902 4902836 1093057 5785895 6218473 7339103 6773102 Valine_C13-label-2 0 0 0 140572 0 105316 0 0 0 147859 0 0 0 0 114465 133844 119488 178269 1557 0 174525 140286 165795 272907 176635 0 0 674941 129557 148868 162345 190653 0 0 158551 0 184646 153231 137787 0 322938 150113 0 179058 182047 0 0 0 130978 101218 0 Taurine_C12 PARENT 64700595 58223795 3150628 68249615 42022965 57440405 8922527 5154535 63418825 47200725 4047304 68161925 349838725 12116807 58276005 11192221 47282015 9913265 11182549 9981339 72618255 11072393 9073652 9927255 51398505 55300565 71830465 11401979 57169745 12137136 82798775 7249198 7002744 2760416 55437955 8948276 69661865 7809246 10784973 80990645 9165921 12033611 57622415 57556395 64689205 5635164 1393412 7637354 53717225 72272515 10905753 Taurine_C13-label-1 14272053 12977275 7170153 1349352 9663427 12235132 1920943 10922645 13399506 1026143 8269155 1501917 7424916 27356641 11902116 2516073 9476735 22339927 24367811 21580233 15251708 24313458 185151 21815725 10920012 11621709 13978839 25786567 12398654 27266491 17039042 16464039 16071147 5911889 1112281 1836355 14441912 16362095 23241655 1822828 18624338 2548733 1225812 11771746 13642333 12093225 2727681 18857236 12070565 16825892 23781994 Taurine_C13-label-2 0 0 0 0 0 0 234977 0 0 156964 130284 210122 139167 382737 144443 0 0 0 0 0 202683 0 2230 135952 161936 0 0 164962 185928 14299 205338 139605 0 0 0 0 0 0 0 260271 0 234165 0 147997 134888 0 0 0 0 0 0 N N-dimethylglycine_C12 PARENT 8200609 373142 3245943 5319122 5005792 3401061 8898976 6880578 7524078 5755475 60364 3326062 7685152 10463552 7108112 10808679 11853072 978694 4744423 2320841 12275271 10588912 14864923 12507504 750722 7624823 8193047 23110006 6135012 5527918 5661194 3763393 5251678 2842808 7449449 562258 2408368 7019267 7701928 2040726 5205348 4368394 6657403 3490496 3934768 3443255 974017 4645855 3747161 4636202 4776189 N N-dimethylglycine_C13-label-1 23969 0 0 536291 0 0 404768 318655 0 250229 231075 0 270182 253928 0 1744331 301603 325933 0 0 0 261844 310715 589087 275961 0 0 450705 26143 0 0 0 292211 0 399547 349744 0 0 488001 0 0 0 371744 0 0 0 0 0 0 0 0 N N-dimethylglycine_C13-label-2 0 0 0 0 0 0 360871 0 0 0 0 0 0 0 0 0 266241 0 0 0 0 0 218319 297073 0 0 0 0 0 0 0 250678 0 0 0 0 0 0 0 0 0 0 0 38917 0 0 0 0 0 0 263556 N N-dimethylglycine_C13-label-3 336002 18866 28019 574255 289948 250672 349614 479044 0 0 0 0 0 358418 728705 307201 386519 343833 361819 0 644019 428714 0 542918 391168 352815 0 456938 0 259795 0 0 0 0 0 0 0 241088 0 420089 873979 308638 342419 216741 427219 328593 28347 269606 413673 334814 0 Pipecolate_C12 PARENT 4141355 3912735 2285664 2597155 289905 2964565 4915153 3245595 2715718 2107686 2870023 3745634 2631767 351295 6127629 6451462 4190604 5093239 3830685 3997411 3353146 3234464 3380625 6915659 4015145 4409415 2819706 4332499 2702469 2919946 4099524 4000741 3047341 212592 3449146 5733645 3713111 3112185 2904778 3329187 3702168 3690782 314257 3090619 5337914 3877439 966344 3321648 2414779 2681181 10429412 Pipecolate_C13-label-1 16963 247884 0 0 203687 0 204378 0 0 0 121729 174661 0 0 199326 210125 20297 243755 0 230404 174434 0 0 452994 165741 203939 281254 184426 152894 172054 165962 157684 0 0 178797 25541 0 0 0 245735 0 176897 0 151981 189984 0 166271 0 153363 0 701541 Glucose_C12 PARENT 291794025 174800012 135900438 222692825 2824936 147537762 292460225 3122767 2360050 2740266 162666638 144479838 1753398 3871479 3106298 3771420 4124611 3411577 326502225 285616875 301053625 241672375 4152662 359216525 302761725 2856146 371981925 147339188 1769678 177793488 44366155 2344366 291726575 222414875 289294975 48751535 3040748 239886725 192042012 278858975 2289295 2954680 311301075 222256275 195278288 16686425 56444756 16517575 164439038 203871862 175433112 Glucose_C13-label-1 76243775 32452406 30697791 42884122 68091075 29637234 61987194 52093359 42072959 49980797 36345366 28627497 51571641 85129894 45903753 6698415 65208944 58268906 73782831 50191766 59669169 55867281 82794031 80416994 61657094 53010294 61962994 28538603 30771881 28381081 66261544 39207059 49861953 34326728 488447 68173431 51931978 35327453 30037288 47777009 37395488 51712353 51960303 38660334 33814688 27770828 8620997 27825059 26973272 29743947 28413438 Glucose_C13-label-2 48997241 19147389 19932355 25051627 40675909 19599394 35251747 24400633 25999106 25350352 23130923 1768095 33974603 58937175 1917475 32901812 433124 34582266 50833166 32579491 36901666 40820441 55105806 50660978 33474234 29518378 28940638 10629644 14782564 14055119 3177935 12991506 27984653 1774135 25734895 30269125 24709952 14257169 14006058 2410858 16217678 2550693 23766448 20043867 17785805 126457 3805458 15907764 1589863 18596939 16354139 Glucose_C13-label-3 25228389 11065681 10575144 12734781 21508517 12499775 1958412 12241474 16429311 16473131 13456767 10562622 20967548 34508616 18341733 20669139 29930175 22345681 33789375 20784906 26668588 24790083 35633397 330082 22988867 22908775 1800683 9342528 12702291 10614257 29998322 10012888 24825123 14681908 20664377 27737834 24628292 1423893 12711516 23807817 16907264 18144994 19994167 1893742 15852558 11544195 333899 1261174 12746084 14210044 13802388 Glucose_C13-label-4 479954 2560303 2174632 2953828 3191829 2518242 4216608 197161 3014242 398549 3318666 162065 4305805 591189 3216339 5270886 4412477 4172941 8655526 1688828 4612558 554972 7486893 7587784 4922856 4619812 2991096 1980194 264266 2793432 6910668 266158 6343873 3106808 3978803 6877416 6097336 3322695 2842698 5413688 4742396 4358414 6507862 4026887 3078691 2889925 1636419 2910789 32174 3246024 3071735 Glucose_C13-label-5 4541791 297279 2310812 1347774 3578384 3224291 4172939 3277074 2993552 4696528 3213882 3238075 4608577 6087396 671511 5268062 6001516 6424239 10949668 5005667 725574 6809434 9923694 8656522 5501336 6373552 4123181 6539145 494055 535818 13040441 4195519 12283682 5243474 6932464 1123474 10663428 5362311 4864199 782916 7476981 7289451 9575195 6986718 6613249 4406421 1711338 4023946 4506151 491225 4326544 Glucose_C13-label-6 34654609 2985055 26636256 27067212 42292253 27408962 43753291 30894378 36448341 48575516 29553594 32677794 45504116 58979838 88352625 5196135 775858 67106794 143730788 57040675 71189931 64985069 1074496 102865081 65949244 78475525 45183647 82229556 58168331 54490194 137417462 58241362 134850412 53367656 100937706 136090412 127976988 63292419 61370775 8995405 793505 83717569 103965069 86667844 65631581 53204856 16389611 46041325 58726344 53860881 5548175 Proline_C12 PARENT 57051375 55658281 23009145 47931334 41596734 35553334 7234885 44751016 42908597 39831016 38878862 70770625 29109753 55292331 39926872 5589855 48107447 57316706 554834 41236316 52573325 56397862 55287469 66343594 42222616 46767988 46912372 515552 32498025 44391525 36791128 42688312 37821541 17214298 41501878 47425716 36987609 38576688 45186828 51563166 42348103 53876181 37315159 67098825 4358935 47233984 6297479 37804012 30547684 46445588 42474125 Proline_C13-label-1 4242681 3491615 1159802 3331907 284011 1575179 3310218 2935216 2565562 2746919 24884 4056969 183776 4016784 2581888 3605603 2571599 3447538 3440545 2271966 3311263 3946378 3649872 4497996 3202086 2863919 2946589 3462145 2003655 2491568 2315047 2838791 2315896 1546754 2653942 2843122 2537455 2396371 2763819 3184792 241331 3122111 2644413 407202 2187786 2990135 267737 266021 1715462 2418519 2667653 Proline_C13-label-2 386012 695116 301978 0 1350392 0 426439 0 0 0 311655 630825 494585 295401 0 341061 381858 292478 263822 0 615905 476114 659111 595691 0 0 0 296122 0 145283 0 0 0 0 165194 341465 0 175763 0 0 0 0 0 249987 0 218963 0 0 0 0 0 Proline_C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 183678 0 0 0 Galactitol_C12 PARENT 9858572 5203289 3117406 4518201 5188477 5758834 12146935 5577521 5070003 4044195 5718321 756771 3198533 5887839 5631594 12147084 4288456 15231195 4583029 5713226 4497998 11587423 451763 13862025 4842293 7120902 6068172 12291943 6201225 22420044 4521882 5437562 7685557 2679803 611939 5432912 6445705 6098495 1125194 11441195 9262421 13097179 6327342 9798252 8531665 646475 2292435 11899063 11759241 6540648 34607878 Galactitol_C13-label-1 539188 42605 0 36861 553469 0 533438 0 486591 419163 443371 484171 0 497778 567501 495384 0 1765628 0 939921 385535 991984 628018 1708587 340827 464502 43714 1380734 694955 1778788 0 0 457113 0 546452 431205 554092 0 432231 500076 443323 543637 454571 41757 414765 653915 0 1200808 492293 0 2849459 Thiamine_C12 PARENT 5910996 1618385 232516 6486381 3261754 2575404 8800725 3947392 5047909 735747 1331395 6490881 1572021 4092884 2393045 3499629 1019093 16836061 13663105 808409 11483275 11242735 1267642 10956757 1420268 509208 2684538 5809565 5844071 37263959 1716099 255426 2855888 505424 2927324 6842983 7943878 2705518 988122 356218 31873666 36341128 4105685 7627573 10154132 1937204 575906 10725309 5984486 1891008 14757769 Thiamine_C13-label-1 405262 0 0 697242 522368 0 847607 0 709906 1018888 0 776717 249625 487053 415056 277271 27899 2556649 1442605 1325514 1196494 1025237 220736 965413 0 391516 0 59763 1166098 4521004 0 21365 236218 0 29036 30529 1124157 0 1360985 4577309 3422592 4568696 380591 755091 1328307 194936 175741 1544191 1263786 0 2252101 Thiamine_C13-label-10 157696 0 0 175151 169698 0 0 239428 241457 0 0 0 208712 275782 0 0 0 276745 0 307098 183009 0 292846 223651 0 0 192096 0 0 0 233735 145738 0 0 463828 174908 0 0 0 0 0 215139 0 0 0 0 0 213144 163677 0 192696 Thiamine_C13-label-2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 302529 0 0 0 0 0 0 0 0 0 0 0 Thiamine_C13-label-6 0 0 0 0 0 0 0 172868 0 0 0 202236 0 0 0 0 0 0 250992 0 0 0 178577 0 0 0 0 0 0 0 0 0 163257 0 0 0 194927 0 0 0 0 0 0 0 0 0 159895 0 0 0 0 Creatine_C12 PARENT 18390719 13471727 5391055 25837783 15856177 22620533 31746647 20608255 18521198 14621205 8751178 258423 6572029 41615091 23956125 15805892 20076092 28783625 3963805 39577816 36395988 50465091 30245925 48640684 22619655 22546455 16343733 21540423 14836145 66269856 36787541 34954484 2842015 14402645 25396525 33119328 28759003 40332853 54363662 25742261 32309447 53424444 23749005 26504028 19965898 14170625 3699481 37065303 14809623 27464472 58279825 Creatine_C13-label-1 798574 514687 140701 1070744 648179 825517 1435041 612149 65434 233203 166853 891349 193446 1445501 958235 244507 1466669 1345145 1862111 1558994 1558212 1933401 1295772 1958264 833341 591395 802911 892796 874151 2897152 1765117 1758785 1073386 278988 1082604 1653234 1005152 1963062 2414488 89089 1604404 2320651 1083533 138326 548415 37229 138098 1484498 69034 1276989 2645514 Alanine_C12 PARENT 92734625 578717 33112841 75489594 78043306 62601681 11301055 79047819 69796794 61957862 537599 98816581 38673534 109474762 9070225 97227144 95664681 110573688 105773438 80618606 98064494 111465238 99917294 15394835 861577 88080531 81903744 53670481 58569356 118197575 88088544 108738362 72836394 344189 80857794 982700 82604094 86627919 111847712 88726144 91285925 109309538 67587094 919955 71611619 58693762 9454179 85465319 4531795 79456419 101980219 Alanine_C13-label-1 8113305 4845093 3120851 5668045 637827 45135 9094168 5831878 4607893 3688392 4892697 799035 3970344 7037826 5988509 6851866 5889514 7023163 6489008 4161301 5971657 6910401 7524695 11842131 5785234 6852316 6329145 3521545 3723086 5589145 4079993 5800867 3950848 2114597 4708852 5452999 484503 3745784 5355408 5027908 4441675 5950598 3334152 5410322 4083141 4717864 438157 372757 2517389 3310337 4779548 Alanine_C13-label-2 416257 2454402 1345128 2608787 322409 1854752 3768208 1773379 1901451 1688229 2487631 3919818 2121898 3524705 2105972 3257255 3106654 2489476 3418469 1627938 277056 3204172 3574419 4179104 2973059 3079227 2580382 1286139 1384653 1290959 1511109 1557834 1403225 832684 2195659 1847181 1883213 1059502 12980 1338031 148084 1922158 1300631 20860 1582332 1562164 141901 1058279 925892 1207003 779541 Alanine_C13-label-3 6468314 5062731 273489 4362986 5488834 3833335 7965462 402853 3911602 4147212 4432457 8072202 3855848 7200245 670745 6412816 7270134 716568 7494837 4269952 556145 6103393 8367723 12572048 6413599 7072254 5374305 4150911 4231905 422061 596738 5076464 5338036 2133417 5473736 7289615 5760067 3748684 5016616 6015307 50983 5297264 4230608 7541465 4904509 5322446 703571 4201666 3518418 3945191 3400133 Hypotaurine_C12 PARENT 1475896 3032751 350818 1581975 1138252 937693 2425196 657916 1012332 728401 705678 1680584 29453 2809883 971946 984333 593458 1356529 183579 82127 1068027 1879103 686669 1308002 565481 244521 117825 1877666 719865 1759948 286467 13501 866029 622345 444693 793306 1117274 754327 1063828 2050354 1312769 1730394 1066188 2966787 2708625 2001961 0 1372761 998697 1380213 1833121 trans-4-Hydroxy-L-proline_C12 PARENT 11194709 6929874 5320245 5619752 7941288 5467254 11168456 9849182 64774 5754858 7090058 11371088 3328464 18956133 11623451 8857384 6817091 1042004 10719894 5055709 7689434 7742187 6136195 16149642 12011653 13871633 6837407 4117979 5814612 6814612 15547223 17627298 8153707 4685028 9685481 17670877 16268839 7255873 8024609 15972173 12328653 10311026 12338115 17033395 15172633 11018162 2040121 9622235 7083669 809722 10356385 trans-4-Hydroxy-L-proline_C13-label-1 467585 290877 152534 272937 290907 654381 582297 500983 270824 293174 176316 374511 0 611352 685766 378494 149185 227231 304304 178144 228378 281482 178486 1015844 494263 635274 578783 2085164 194493 320761 740121 569667 162104 143224 499998 913862 656424 138002 188911 571359 265953 455284 771325 662531 894289 312849 0 441861 444124 346034 347761 Threonine_C12 PARENT 123295512 64004794 725276 105345838 10737555 99775006 144487188 1044238 102730106 89015919 102388031 107183238 6987675 150388288 195637888 17057065 178981388 153887638 139550188 108823238 16649195 129896688 183364788 220417275 133766088 165495488 111178838 402568125 133049138 137817562 181886088 276958375 121696925 64319619 162852412 158295062 1492642 154455962 149403038 141760512 154280662 1557598 150714312 137944138 153074488 108267638 21796214 125835288 10959885 139089262 118840138 Threonine_C13-label-1 5443631 2755738 3008483 4466733 423127 4355023 6576518 4739919 4221707 3757033 4635844 4867677 2885949 635451 9488225 7305357 7997246 681688 6018294 4357145 7668238 5437209 8064284 958878 5688648 7840188 4850167 19290545 5765612 6518408 792401 12061419 5651559 2625449 683773 7193379 6332855 6574458 6784918 5994973 7094996 6282145 6589474 6126439 6785182 4727271 73993 5330089 503258 6128467 5345652 Threonine_C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 113845 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 159219 0 0 0 0 0 0 0 0 Threonine_C13-label-2 0 0 145185 0 0 0 14958 0 0 222961 0 0 0 93593 131551 0 104326 0 147419 0 227885 0 157396 120521 0 0 167119 312088 118382 0 119731 13246 201372 0 20495 15362 145407 160202 0 0 137989 0 0 105462 131182 187759 123947 79274 170097 0 0 Glycine_C12 PARENT 16762642 15750306 8571137 1816725 19740717 12173149 19326358 17847773 17115581 17167011 14038795 25245762 5887874 16845667 13979483 13737198 13534219 16362538 32728003 15440236 20066605 21856964 16464417 30512203 18888539 19409911 12501931 1505262 13354458 1789058 17892894 20154455 19379233 8750584 19559736 26863138 24499083 14248123 16254795 30092341 22096661 36812241 20168983 21620064 14707669 16598995 3902455 145079 12975374 17904183 1494528 Glycine_C13-label-1 270861 422287 118786 570877 669767 465525 55687 616361 223816 425512 461066 875834 139272 537187 583621 432163 197909 500644 1278061 22818 846871 764777 591436 1044154 725349 584845 611637 180178 325379 494638 391722 966143 297567 24757 448029 716664 83165 638171 195569 912789 62929 1177147 799445 413459 187823 543603 105579 565324 311278 327423 199991 Glycine_C13-label-2 42354 322524 1907 238758 307383 269049 24213 282202 306859 278222 212235 222722 249268 214423 249816 225723 228393 39882 28562 339872 57903 224509 375259 23707 222842 45918 533808 228126 197907 255469 24141 350007 252508 342494 293721 664911 693178 369101 212727 41435 252948 267681 255575 227003 208808 22917 201345 172747 179285 346798 225303 Sucrose_C12 PARENT 1986052 2717343 1374129 35789175 35952234 5250728 16778936 52488075 21396442 19981773 1083003 65510169 1306105 5374827 3164813 4829748 1599313 7131909 10072625 3033709 2961554 3935808 1684832 355376 2432042 196091 1582621 61468125 4007429 19881112 1382356 1563116 111023 469766 11687 1958509 992794 16489225 24020895 37814375 12766679 21453161 4921616 11644875 3451066 1596538 1248755 31900784 2618264 17598965 13836162 Sucrose_C13-label-1 193205 210127 144041 5291609 4538325 755843 2410362 6848563 2986622 2296859 232054 9063356 0 9800 507088 318985 172171 576939 1640312 211297 267224 352954 198409 58992 222385 16195 139413 7650116 207171 2299739 175963 173296 221773 0 162816 184689 252559 1919359 277872 5237793 1889681 2763726 555545 1652163 263768 173236 1702361 4514553 315057 23664561 19964 Sucrose_C13-label-2 0 150695 0 57959 605652 0 21512 1445662 550845 68529 0 1226211 146154 0 0 0 0 0 285201 0 0 0 0 0 0 0 0 1680914 134966 224538 0 0 0 0 0 0 0 242262 402393 790547 256336 274746 179489 341321 0 0 206772 643204 0 4055384 220749 Sucrose_C13-label-3 0 0 0 0 188512 145914 0 256727 0 185595 0 22576 0 0 0 0 237866 194291 0 164095 224355 0 0 0 0 0 23229 38717 0 182584 0 0 169767 227232 0 0 0 0 164409 0 0 0 0 0 0 0 0 168867 0 744206 0 Methionine sulfoxide_C12 PARENT 1422381 994983 1253148 2585076 1824712 112073 1968987 1836563 2646728 2051573 831125 3713468 887987 1604842 1615824 6400344 1649308 2083179 1427762 1325911 1222125 1658446 1600488 2468575 1564235 1565183 1511375 2257456 1528807 1728049 1387631 179439 1337832 327103 961643 2002823 1370099 1806489 2043819 3478439 2306324 2030733 1390518 2253245 1879719 2121008 280489 14685 1209714 2146692 2393277 2-Oxoadipic acid_C12 PARENT 9819047 6661643 5293697 10408862 6403945 6489421 10056941 9603645 8607646 8699488 725636 6557604 3328251 8491946 4844334 5181659 3821378 5706019 5283823 5328303 6927779 4036609 36597 5507997 4908481 4054729 7864098 1824617 18752239 16658689 16295277 27460941 4286663 4089786 5547209 6329671 5577064 8873748 9011952 7188323 9065482 6231172 6453989 5782349 1181525 5145416 1755358 6438521 3946157 6882401 9761465 2-Oxoadipic acid_C13-label-1 505836 160214 15269 793034 374903 347483 495929 32148 230765 304903 406503 387334 0 28321 196021 169382 0 0 0 0 258216 0 222963 159843 184015 0 388728 0 1356354 1114918 919805 1734237 273351 0 276173 201783 0 661618 260458 522579 233788 247144 396845 150619 463382 407083 0 410874 166839 201757 261168 Glutamine_C12 PARENT 10653641 6073340 6026770 11752929 9123552 11067989 12497061 9894728 10488032 9813763 10634207 70115305 64954515 9463193 10881771 11171149 10159788 10870148 10636163 7972046 13119771 11460331 12879677 12411996 8551953 10808458 10647239 11794165 11531015 10955325 9809377 10314485 12211732 53011865 10449675 9968828 10388055 11664283 13247143 12000847 11810065 15261072 13499832 10551327 10565959 8405007 273007975 11210569 10320452 10268509 11298368 Glutamine_C13-label-1 1440719 7523565 73871056 132905212 1101387 1304244 157043138 104994038 114615438 10465085 136021562 92220069 91095669 109669738 122254162 1390012 98274431 113417738 1248823 88814469 155296612 140529288 1513518 148478262 96637631 131370138 127824838 1417297 124649412 107562512 9353635 11153445 12469765 58636844 115246612 101950431 108522338 113224325 133759725 130363925 1232884 176698738 148114638 112089588 108183762 94326556 26861753 11306995 101386706 103067606 112771538 Glutamine_C13-label-2 76134506 37281859 39645616 6245505 53745406 68990131 78735531 42978153 50670725 495349 67467919 47314447 55783919 56438844 56770188 64767319 46789134 566041 73343844 36997159 7828725 78213294 83574069 75718819 44965016 66063725 58226144 66713944 60038469 42874691 41606928 41538722 57507444 25856694 5363865 43340875 49297016 46282597 55940756 58144894 55387775 79477119 68165219 49126522 44993738 38714875 12174509 497414 46065778 42186828 49110878 Glutamine_C13-label-3 18677744 9314402 947155 15101016 13572305 17098838 20718331 9044988 12898344 11382668 16643864 12247627 14506645 14850066 1462663 1531077 13871892 13818392 19675638 9933169 19673711 20317467 23742758 19168845 11603088 17437625 13774164 19453031 17033758 10906927 10693091 9556869 15758205 6231322 14400178 11906581 12417432 11635641 14421439 1524818 14263142 18847617 17932288 15396908 1210695 9924216 3360864 14464458 12252951 10233116 136396 Glutamine_C13-label-4 923162 908374 291132 777832 643152 960243 1019536 628135 853258 470843 753905 1620852 363903 723334 1495945 1279445 36316 379745 369518 365218 1364532 1543456 1716124 1573562 911348 1662065 350435 3517591 2422966 1057714 996194 1395816 1477359 746497 1441036 969913 1406183 901761 1497556 150623 1789227 2076394 1763578 1678896 117876 121608 255334 1309689 1027264 686485 1261909 Glutamine_C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 225346 0 0 0 0 0 0 0 0 234046 0 0 0 268332 0 0 0 0 0 0 0 207168 0 0 0 259032 0 247999 222838 211282 0 0 0 0 0 0 0 Asparagine_C12 PARENT 29414838 2253567 14334962 26067681 25079125 22515544 32977175 27030175 2720435 21853144 24003931 39114859 13911202 28437356 33558956 37176884 28860559 33182616 28432553 20606186 33032328 33155641 34037478 46567275 30004334 33907134 2549122 39109559 244000 28677712 30768847 39070766 26988391 11556025 30594725 32011462 27410766 31205959 33564234 38172909 32019347 34381312 29224791 44608225 30364262 33226762 5062383 28782266 22770792 315271 26645675 Asparagine_C13-label-1 2055928 128279 656282 1354534 1457975 1209304 1596954 174641 1479415 1275999 1432982 176508 864082 1542728 1698608 1743486 1447463 170749 1668608 1242741 1752177 1572785 2017226 2405776 1158051 1881401 1813131 187898 1579084 1445805 1702967 1851691 1696316 321124 1462495 1574268 1472059 1793486 171157 1763583 1828946 1778473 1163552 2715668 186716 1768701 0 1579642 1220629 1504298 147344 Asparagine_C13-label-2 0 0 0 0 0 0 0 0 0 0 0 0 0 185696 0 0 0 0 0 0 0 0 0 20629 0 0 164804 0 0 0 0 0 0 0 209833 0 0 0 0 0 0 0 184886 190149 0 175519 0 0 0 0 0 Alpha-Ketoglutarate_C12 PARENT 88392669 83668356 36778291 129864388 706712 36186997 83718344 96984331 67049756 58292906 36908509 691052 25882995 100885756 17613445 18316252 14422164 33254084 63017369 36557872 44001297 30344578 20811152 2328997 19711475 22464217 571315 2235195 25353692 23053086 51492584 20269345 27866234 14820833 28384759 23013736 29443091 2404913 21594033 43019525 27631725 37382122 25687227 49611588 24881636 32052734 7017234 24561794 17772498 31548078 39694934 Alpha-Ketoglutarate_C13-label-1 12162355 10553007 4344252 152918 8731659 3576552 9929859 10761841 7591798 603108 4367185 7687831 3509169 1116387 275961 2212052 1390245 3548838 7108927 3695846 4607147 3191115 2385001 2696681 2667246 3079277 6379033 203629 3231236 2104556 6177561 2790907 2922056 2269373 2738682 2403077 3156822 2210604 2001669 4136888 2761426 3656456 3152015 5188957 2607777 3530786 760841 2155005 1786839 2824842 3880291 Alpha-Ketoglutarate_C13-label-2 6244627 4401894 2185725 5985606 4220809 1781529 4148438 4014118 2922778 2486995 1787262 3515199 2085615 5499066 1381501 840357 569466 1538592 3111042 501266 1811529 1201369 846068 1167161 853571 1278868 2578333 138755 1566354 356127 2652634 1135778 1019458 955292 1002113 825616 1316299 454235 610077 1681613 716648 1180389 860703 189398 862192 1269602 164095 814474 438259 775776 972618 Alpha-Ketoglutarate_C13-label-3 1408507 944492 642919 1327714 1357549 409721 106677 704985 576866 511833 286726 594143 314173 150675 641974 147544 0 208787 121575 269764 478227 52161 16055 130992 147721 480413 7941 0 524983 0 553558 388719 210318 488424 187699 212635 0 149158 129585 38369 164944 192355 180232 272737 312852 310839 0 163616 156568 153265 154721 Alpha-Ketoglutarate_C13-label-4 0 0 0 0 149326 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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Methyl-histidine_C12 PARENT 6082053 2084615 3892404 282586 4749625 3252189 6270227 5059461 2452496 2486139 3792314 3850822 1838679 5034923 6608255 6261756 5125096 5034367 4283955 3734214 4251262 3813332 4386284 8862334 442061 5692299 5710869 2464426 3001705 2557958 6512751 5691911 3003562 1472346 3613404 47911 4145729 3354645 3138997 4118011 4447507 3097636 3630925 5674308 6929757 5365359 0 3715058 3595687 3640437 525885 Methyl-histidine_C13-label-1 18751 0 0 0 2831 17832 278523 0 0 0 0 0 0 0 512184 233491 0 183438 0 0 0 0 193993 298855 274723 0 163521 0 0 196738 188602 432267 0 0 0 0 0 0 0 0 231062 202166 167713 179634 279854 188797 0 0 0 0 24749 Fumarate_C12 PARENT 19974408 17715725 10876035 26142917 17733305 11263581 2196327 16939944 14071008 13524773 10720809 14409256 10241984 25278452 9650352 12286609 9204056 15324544 17621398 14874942 12842998 12565748 11489048 9311206 8154014 10883603 15151556 8278147 9036998 9672425 12856753 9678756 975453 9221888 10358516 10252378 9905647 8795515 9300388 11627337 11051237 10504381 9158588 9367921 9045016 9407712 8729691 8805016 802084 9701918 11213632 Fumarate_C13-label-1 2042227 1651587 996068 275272 176809 792501 240265 1601882 1416776 849107 960432 1050684 1357689 2939317 645005 299997 635597 1492253 187046 1108815 793208 1076095 1157419 830354 520508 356276 1330901 31178 557756 69999 1118898 663975 320231 325322 487889 545514 322362 290834 626557 977825 534864 74719 586479 843769 502166 545767 280258 799196 239025 460035 712119 Fumarate_C13-label-2 880533 705554 3046 1099789 865133 498571 766647 588294 190629 249621 339563 362715 389082 1110197 190375 120181 0 188201 509818 170822 183104 300388 33548 154111 123735 171633 546647 0 0 0 281863 122755 0 0 0 0 0 0 0 133404 256569 115701 0 180457 103489 108576 0 100431 0 89126 0 Fumarate_C13-label-3 33762 186423 124483 225062 186331 94441 265395 128028 116709 0 0 0 112893 185626 110457 10941 0 196726 319257 0 0 116591 0 0 0 0 0 0 0 92997 87883 0 119723 0 0 0 128922 0 0 0 0 0 0 0 128228 0 0 93463 111351 0 0 3-Hydroxy-3-methylglutarate_C12 PARENT 29991791 10769334 14798802 22801117 19489894 134057 27478909 1795953 23876562 21166245 22809836 11898735 14682666 36640275 14246577 20036319 11693665 14683883 46665578 51490309 31380009 28720234 1791943 14481533 12360968 14853131 15915078 9911956 41626447 31046459 19172495 15630242 19904639 11017541 18232319 22737405 14834511 23082617 2420632 17282795 18456644 17749638 17351681 10525456 19180389 9129629 8801584 18902367 16031981 19748161 97339531 3-Hydroxy-3-methylglutarate_C13-label-1 2637879 359224 1132522 1239901 1266189 1026138 2240201 1286769 1310615 1126057 1580324 883675 803719 2206591 1152142 1215438 123995 1038201 3374018 3489626 2210862 1811649 1469337 1130483 1050658 929684 1111674 809366 2647594 2062764 1420908 112277 1479603 877583 1454325 1478634 1086875 1689546 1819395 1139218 1323258 1260859 1250421 882692 1056596 375171 419465 15395 864491 1613467 669098 Citrulline_C12 PARENT 28912694 20296948 16020812 34042194 31223256 28633238 38093934 31132125 31461678 29552938 2401732 26836028 20431133 34164347 50897334 40627666 38470466 45101184 37993428 23446636 40875666 30668959 52647675 39269797 27227934 34624934 30115972 101143269 51224125 52105975 72411469 78054781 60977594 25135952 51103616 55386075 51788641 49197259 52918669 59276625 503848 62749419 647241 57046181 53310544 53439062 9308024 44630222 59793044 56182569 5334895 Citrulline_C13-label-1 3137742 2889678 2359484 3670705 2949371 3865304 4693934 3238664 3367255 3120179 314158 2292146 3032628 3135332 5895481 5080063 3716705 5475106 4356457 2842786 5072697 414789 7565982 5360519 3313312 5327364 3439442 16601419 5437902 5139649 7185182 1002535 7530755 234276 6855838 7042222 639005 5278709 6629324 684077 6133961 7907056 9541646 7017605 558443 6378011 1272058 5005847 616534 7404137 6633525 Citrulline_C13-label-2 343149 228115 199631 269944 576064 531428 875113 261929 0 0 449453 261619 653174 449633 746591 42949 262597 692648 0 0 275704 486754 1176309 659701 543773 36056 272982 1648892 609028 415701 866359 867676 876404 0 38391 395316 731077 282676 381401 934005 386794 1294681 1557405 93398 755961 359425 0 412538 628722 859676 958789 Inositol_C12 PARENT 29971578 1334908 13192905 20140777 21864098 22930489 32410041 2314332 24982539 19919736 17995639 23261144 14154031 3373965 47012166 52964819 39492753 41615325 26361197 324034 2774805 42536378 35045291 46578597 35076991 26845984 28608522 47140809 44361472 37091416 40672516 45505775 26997378 21064358 29895441 33985434 271741 28983428 37561528 32453003 296483 29240941 2229842 23603245 41217016 19363752 4638214 33958322 23332908 31464653 37458428 Inositol_C13-label-1 2086276 1010926 935532 1453813 1772589 1348781 1934095 1623524 1657812 1672328 1396061 1820726 1115794 251989 3189428 3674326 2816962 2571234 1382283 2248437 170848 2818551 2479594 3463119 2309523 1957704 1756594 3573234 3369138 2889832 2699845 3266741 1925212 1532012 1858453 24454 1974108 1918079 2582319 2176529 2218269 2191957 1647148 1730566 2763725 1573697 365782 2221477 1599056 1886384 2515522 Inositol_C13-label-4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 149614 Glutaric acid_C12 PARENT 1944385 11853423 13805252 19822045 21755258 11811678 16253072 26215128 22884938 28395634 20465638 19958964 1504083 25893295 25230642 18141917 12669241 19010464 1623422 21677881 21620044 20607088 15507084 16458348 13625061 1845328 18032575 20008505 15517272 17938689 21899656 16483823 13370016 11500577 12451035 25014212 1534288 13576819 22278605 19320975 19311942 15027589 18562561 15921427 2033758 11302354 17432698 10916543 11493466 18703198 20245645 Glutaric acid_C13-label-1 1431258 7538 803865 1238047 1175175 898714 1054526 1407021 1476071 1683724 797804 1249987 685115 1590353 149161 1273847 936766 1166894 1165223 130372 1384357 1088023 1154658 1087117 784257 1544585 146015 1195033 972654 990377 1774041 966919 89446 652432 991383 1515105 41539 882526 1316711 1335015 1241036 1136362 1134036 770742 1051858 635781 824149 712751 590552 1298962 1344953 N-Acetyl-glutamate_C12 PARENT 6695143 2958965 3193041 7085474 5282014 3116879 6189952 7033116 5649762 4906075 3082541 3186752 3251738 12534234 2892539 3762274 4706749 5208953 8040694 422683 5612675 41123 425609 3639651 3830711 3110702 5124722 1715723 2619617 2924993 6233574 5693953 4237358 2488625 2942024 5709675 3676996 2615674 2385788 4690409 3209433 3848788 2840901 1561507 3416313 1800786 1370585 214309 1999218 3172886 6474446 N-Acetyl-glutamate_C13-label-1 1050171 202372 249979 650343 47232 182473 563105 569449 552681 245175 243589 0 528651 1756617 189921 206713 166145 450169 724955 245017 511274 204467 422963 206047 198418 224337 601634 0 159391 307882 536189 950471 0 0 23344 249239 206952 177447 0 213377 309636 234706 0 0 16965 139151 0 0 0 0 69211 N-Acetyl-glutamate_C13-label-2 182062 0 0 0 186176 0 223165 0 0 0 141138 0 0 1095005 0 0 0 0 0 0 0 0 0 0 0 0 196379 0 0 0 172178 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Glucuronic acid_C12 PARENT 44324816 42543688 18095714 392545 36709216 33135456 56278281 42912775 46691822 40698472 29029903 42090972 18401708 53578719 43599984 57591838 32341019 48806025 55239981 60581288 41217059 52748006 43218975 46759184 45227678 36315538 48954362 35554359 37233847 51735672 60315025 39242388 45488716 16908506 361448 57414888 39947775 40421359 47254403 48090828 40769578 61906362 58884569 4424515 48184453 42125025 7145737 47517025 39543278 53138156 275605275 Glucuronic acid_C13-label-1 11242288 8837006 3905924 7729921 8713335 7013176 12148787 7342306 10512085 8505277 7519734 9151688 5537266 10792832 7911459 12188982 6186016 9102441 12574718 11962518 9233075 8833701 10899324 11864312 8694257 7969331 7662591 4935164 916402 8302541 1265005 6273624 9797285 3984868 9304379 9861346 7997951 7861234 9980725 10033327 7263423 12974325 11658881 8108895 9573665 8802935 1843419 8581482 7710022 10403174 29852941 Glucuronic acid_C13-label-2 6413129 4485469 2368816 3405084 4435163 4201231 6474994 3210696 4885334 3834865 4293524 4946384 3813711 6169546 3940814 6135869 3068795 4228148 6993892 5370129 4862208 5568606 600824 6887385 4557074 3928548 2992635 224857 4688261 390369 6671023 2225667 6194736 1620985 5240588 4151725 3842393 3269068 4638835 5752619 3740657 6344938 6068408 4131477 465201 4485457 899311 4259526 4066702 46516 7026324 Glucuronic acid_C13-label-3 357522 3478594 1170736 2288463 2871718 2738682 3791844 16862 3224127 2263601 2732487 3308489 2647539 4185197 295238 3899775 2258213 282849 5575996 3433796 3203548 3877805 4662245 501204 303791 3302855 1946944 1686495 36189 3311534 5576979 19843 4835506 1390284 4321382 3811677 3889206 2876745 4115706 4715225 3288678 5192144 4361167 3659624 3916483 3596618 258567 3377538 2912015 3573149 5880327 Glucuronic acid_C13-label-4 1692712 1266631 1072794 985426 768323 1478213 1417405 775252 1602409 1014107 1430883 1385965 117988 1283664 1888454 1392429 1444717 1607421 1810642 1753595 1346629 1561657 1989242 2112048 1539043 1304265 887694 1276678 2488684 1585162 2579094 1295556 2839722 910229 1426008 2133395 1304301 1562828 2183195 2060711 1646661 2275241 2116356 175617 1436848 1720089 807354 1363326 149291 1717261 2963984 Glucuronic acid_C13-label-5 218051 267355 159861 0 419227 391102 350264 0 207381 348621 203802 39853 251606 476975 215781 678569 169171 432712 758094 50095 433959 67753 945208 688137 457125 546852 167373 222855 88678 409539 823977 13474 872001 24017 602958 600488 533867 25156 649707 663385 710525 316399 594784 464527 239883 575735 0 594357 185654 444303 954047 Glucuronic acid_C13-label-6 150307 1387655 673533 111048 1419026 1047378 1388732 877478 1414806 1233062 1113262 2160505 953349 1711457 1918824 2059615 122049 1579374 2050563 2233047 155133 2184469 2556305 2289365 1610581 1899551 960373 1876605 2321847 1836937 3552686 123328 2742612 593299 2476053 3191908 2495165 1516411 2276169 2709821 2134828 3034457 3169131 2420417 2345634 2216026 463448 1701988 1752369 1974546 3405858 Succinic acid_C12 PARENT 269927975 1093339 97020406 281901125 217396625 134388312 239024575 243438675 262474575 220577375 1673140 194975538 93462331 3357727 162795438 151187338 965059 25364315 291606475 234749575 195366138 24932395 135973088 203247062 11821995 139120025 21164975 102135831 14856555 191947912 219879575 1224838 155716488 90771125 156610088 1928571 1420433 142742262 2410528 293084725 355243575 222707725 15438045 142359488 235941725 96991725 89969806 231932575 9258785 1768611 170550088 Succinic acid_C13-label-1 26399234 9366701 5717522 21564225 15961478 11318587 21973183 1668153 17558238 13624992 11545946 14074611 6414436 27415216 10748069 10902276 6157781 21904938 23572083 17654938 11492379 23199192 8978055 16450056 7951577 8774988 15162833 5789536 10758635 11999084 17294539 771472 10396898 5765294 11018662 13324312 8605276 8729022 15909695 2461145 28853756 18418567 11132809 911134 17256745 6209542 4906407 18719695 495147 10388646 10122841 Succinic acid_C13-label-2 11479527 295307 2055381 9436654 6065559 488073 9289479 5546693 5278428 3173303 4315384 4498922 2546391 11147813 2532202 3049673 1570396 9144537 10714687 4330022 2693048 10525275 2401621 5456016 2132802 2173765 5489947 1248956 2969382 2766409 6183849 1752625 3393284 1366381 262559 4290274 2010976 2218214 2767141 8192656 9650555 6151141 3031993 2376149 4684797 1649671 340336 7723572 1182456 285651 1677049 Succinic acid_C13-label-3 2072435 497586 292198 1406489 95085 718429 1358757 792245 496663 227299 721733 962433 202738 1860322 443808 784506 169292 1958317 1916803 735013 231959 1767607 35073 748828 15942 166936 941744 142051 333684 315109 906581 178338 511625 0 395098 317638 133402 177194 53932 1229136 2576863 77242 307589 142869 1042968 133835 0 1804361 0 307652 150478 Citramalate_C12 PARENT 5034095 26842962 19206098 75890075 41981453 28522178 49628366 54677756 62220538 56978294 31713341 37606316 20790102 55331631 25100036 30416962 18315342 31369931 60439631 49353084 5627305 45107578 26847416 233220 2130013 26414091 38454828 12018703 38652575 47841278 39733672 27255778 465405 23760645 36893425 37006566 39135575 37682397 39778109 54641006 51651178 75243744 46868534 33231125 37889116 23667725 17664131 43586903 28057338 44292191 978058 Citramalate_C13-label-1 5440127 31736 2138228 7774554 3731861 319137 5237688 4588422 4977895 5246176 2999062 3764568 2208898 5202313 218609 253858 1364693 2582519 5170661 4135406 5326405 4625708 2514572 1776912 1807345 2489399 316548 1002812 324904 3406368 3040547 2763045 4425814 2473643 3240158 3278614 3346638 3157538 3607301 4912375 3977086 7975312 4191358 3167483 3536933 2232666 1348677 4051872 237636 3420672 6760962 Citramalate_C13-label-2 2080922 817943 700347 2162784 1349582 1102251 1842588 1248527 170638 1521925 965503 1042466 901316 1709817 270651 649012 168106 77949 1699924 1219235 135522 1292355 876419 375101 360307 488714 1131779 0 1006449 1053494 1055172 402716 1288427 736321 918004 900719 1003418 561903 816742 1534888 92071 2311763 1034926 990875 972246 694606 210245 1132132 535278 1184934 877324 Citramalate_C13-label-3 346989 433559 17608 1038897 504191 404648 944428 275025 298806 501197 196915 417438 140361 830372 140447 356472 0 206525 343797 253989 374987 558273 405853 145958 201992 243346 489034 0 516213 190415 264164 0 552842 183851 393257 310419 252917 233003 417648 499358 370185 806105 210625 181329 446266 207511 0 208493 235904 417314 845277 N-Acetyl-aspartate_C12 PARENT 5240031 253048 2517993 84480 5576838 4209791 6673788 6008918 9264275 7506025 3455623 6029178 5959456 6300014 57610419 3731795 4029553 6374932 10844753 8446834 7264988 8682897 5194522 6475346 857946 1255594 4394683 6681881 36005538 9551241 18137995 41838191 7847446 485884 5185033 7099931 6920932 3691346 8454228 722388 8681109 16510514 6018877 3852908 13505661 4561779 1384166 4688052 5623594 5215245 728823 N-Acetyl-aspartate_C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 191364 0 0 171553 0 240224 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 N-Acetyl-aspartate_C13-label-1 223678 247343 184492 981838 358165 410511 541012 690498 579396 542696 213312 326685 660696 263968 4828447 222493 242083 434354 1004024 1139864 398155 471577 232586 235271 631086 1079688 207506 480593 2745813 803534 1180521 3004292 363374 4400734 303699 801548 333187 247044 530883 579611 5581 1277408 440519 388971 1090708 250903 329643 223181 279327 215539 710707 N-Acetyl-aspartate_C13-label-2 0 0 0 0 0 0 0 0 0 0 0 0 0 160607 533246 0 0 0 0 0 0 0 0 0 0 0 0 0 58693 0 0 8335 224755 158512 0 0 0 0 0 0 0 195104 0 0 0 0 173164 0 0 0 0 Histidine_C12 PARENT 41462088 27213316 2223082 30411041 32810372 29363125 4759155 300404 34334891 30057034 3394895 33745025 22153308 46977425 42988591 60176969 47797253 43801178 23908833 15918614 29307206 44498366 53920725 57788106 37571391 27366819 39092391 49656859 34516709 364789 43324391 95304406 294799 11553912 30155622 35430841 34010422 42518103 49378897 41437147 42188653 44451059 39910416 48004003 42433825 41245728 6190443 37287716 37901438 40680659 39122322 Histidine_C13-label-1 2858623 1719104 1450818 2384884 2254083 1829144 315331 2201315 2262507 1623432 2398134 2606075 10975 3066214 2728503 3986138 270771 2802597 1896333 1234599 1859227 290474 3367979 3803193 218414 1867961 2452427 3007072 1842452 250244 3058605 5780064 1952027 1019113 2456748 2461201 2093079 297608 2654381 2368221 3259815 3270779 2362771 3353584 2677884 2626535 244094 2455856 2413954 2860095 267311 Glutamate_C12 PARENT 51298359 25543417 14287269 88604681 46840866 42054809 89528256 44928191 62509938 55885994 29193375 652678 12779729 71195319 51231053 30361728 21786086 58257044 67983788 45180372 49100178 89728675 38806075 587296 30168834 29854022 45772366 16133395 51118847 106166888 43423947 39360109 31972922 22419458 27906053 33381591 45038791 51374638 83400406 85861331 72025019 110469838 32972262 44445925 67341094 25562973 761103 57976944 30476794 56855969 59813981 Glutamate_C13-label-1 6214714 3081285 1635513 9930791 4595925 4752139 10112523 4314309 5621525 5081487 3090045 6592391 1386731 7855831 8530254 3029837 1967026 6237294 7763651 3452534 4614588 8961984 4263766 6344618 3203373 2951706 5125721 1942393 6720641 8703888 4794442 6530144 263247 4186759 2935177 363616 4335704 4299635 7380459 7884223 6439069 11398405 3127426 4032849 7002634 2610662 701658 490831 2766863 4924059 5413771 Glutamate_C13-label-2 2412621 575499 747154 3692955 2198673 1409008 4776745 1324955 2280607 198374 1143022 2707088 852241 3475282 6144643 1055591 633801 23783 2876868 1337396 788692 3933665 1487422 2599823 1345563 1610889 1766081 932547 3918608 2039773 1987983 3391105 116165 221516 759616 1169267 1406309 1175197 2203221 2093351 2638035 3734445 88057 1533386 2071765 106059 196152 1201895 832325 153018 1199219 Glutamate_C13-label-3 30923 0 0 711354 207689 430601 1023174 186721 267472 200671 16316 281658 0 882667 168896 210692 0 261113 591377 239694 265328 796743 399513 803827 364909 205844 258292 419975 1108073 766982 716369 1026683 0 80677 0 2072 0 0 294521 727193 241968 620045 200696 229237 525335 175753 0 407364 19058 361772 380109 Glutamate_C13-label-4 0 0 0 0 0 129308 0 0 0 0 0 0 0 183087 425753 0 0 0 0 0 0 0 0 0 0 0 0 0 232374 0 0 202137 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Ophthalmate_C12 PARENT 3440674 699656 863442 3518809 864022 638629 3377744 2025027 1406287 1028527 731776 186611 2051456 1997019 247415 1882498 470932 96803 4534 498631 1103433 1001086 979072 188432 17288 187208 2128871 17507 919342 1449995 671364 139004 213439 0 335539 147737 0 438723 1105007 362218 448812 810751 246439 144717 581251 0 0 609559 165181 62561 516988 Ophthalmate_C13-label-1 63246 0 0 282914 0 0 664053 173055 0 0 0 0 421542 16421 0 450792 0 0 0 0 0 0 0 0 0 0 15221 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Aspartate_C12 PARENT 7849387 3497512 2917804 11969927 7457224 6141294 10296218 8089329 11361866 9092916 5142196 11007481 2271009 8809749 11688824 6856281 4415664 10609359 8649326 6352798 755551 11672052 6958823 1221775 693918 4720271 7787232 5472101 9954654 12468629 8422591 9388332 5417573 5447167 4811146 7975056 7821641 7848909 153678 19482267 129423 173346 6847711 8275041 14447117 5411096 2160159 978752 5758403 11604644 1066514 Aspartate_C13-label-3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 153713 0 0 0 0 0 0 0 0 134742 0 0 0 0 313957 0 0 152531 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 Aspartate_C13-label-1 931771 480165 0 707748 533411 332404 1100261 58139 620399 844543 33428 904404 12361 434665 1597035 578305 192242 85739 735092 3326 302494 991148 37161 1056651 411751 415439 693883 689207 113738 754792 755392 1302218 208869 498897 418287 775824 6801 513543 1162591 1238842 129747 1432096 47139 718839 1128426 500499 129173 720833 34018 777099 764348 Aspartate_C13-label-2 277178 120152 118608 14754 138072 110472 135322 174589 0 159597 0 156201 153163 0 491325 165799 0 142107 236601 18292 197159 94981 0 319224 135934 245037 124864 0 363901 101025 324809 205415 209263 188637 180128 204156 17479 12443 140028 274326 161614 333294 0 0 157496 0 0 170897 138896 139973 0 Malate_C12 PARENT 4763664 271793975 145665388 6207564 340602325 150221188 49776245 377541925 360529875 197182338 165210262 286717075 95962981 63949005 61533869 12700395 5624915 2935995 51602595 2297479 180080862 218654075 178469638 137381925 84114681 90291075 310225425 20385277 67675575 1178855 2661535 84098619 73712169 29410466 71255681 9519405 79826381 71457425 8960065 1810407 164890138 1702082 789287 11850825 78791581 75976881 2208685 89317269 45162184 118212438 114025938 Malate_C13-label-2 27986222 12709393 7991762 28622172 18729217 6499358 25302989 15442223 15368681 7006565 780709 12931976 653875 32646178 2415681 4594079 1841372 12797581 25642662 6731552 5772323 967495 8437513 5546414 275403 3408074 13085912 547447 2049104 2035345 7703041 1878427 2243782 1183863 1705398 2685268 2058481 1233807 2032494 6592862 4202786 520239 2312697 3848151 2168075 2038338 685417 2450869 1140584 2931027 2263327 Malate_C13-label-3 12100796 60364 3934625 1392903 8043531 255774 11216315 6462878 7289137 3324227 3671611 6763536 3663948 15929303 1007936 1936786 1318668 5076762 13267608 3298619 2965972 3884632 3825971 2078518 1248123 1848802 6247792 244495 936522 1374696 3397018 523517 81018 254303 730035 1153113 948403 509661 900106 1782908 1589569 1812225 421046 1017013 704252 709212 147275 942919 562501 1068395 956896 Malate_C13-label-1 64522788 31401172 16811195 71540806 41827909 15105458 60104331 37256316 35533353 1878427 19491538 32033312 13295702 7533945 6197628 1271295 5139992 29378566 58071025 23049142 15954262 23710983 20479892 15123864 8498832 9197032 35427734 1603972 6059611 881895 24000567 7243427 6262681 3124832 5310507 9171016 7155768 5434508 6771362 17548788 13723227 15092656 7178744 12621512 6694482 695335 2100859 7551518 3892238 9446785 8262237 Anserine_C12 PARENT 4398538 1432434 1515464 1734722 2362854 2575658 8813948 3462474 1606881 1234905 1050291 1525797 826658 8930462 3531352 3501403 1851829 5718171 4050354 3205505 1569491 3498665 256533 10672529 2451088 2011132 4453533 2885688 2343433 6636612 5180183 6409221 1166668 576297 995912 4548651 4477604 3827005 6355947 321402 6339523 4259788 2015238 2914926 4220944 2110331 125591 2632013 1142857 2796144 2684593 Anserine_C13-label-1 210754 0 0 0 0 195977 978662 0 0 0 0 150023 0 1040402 145132 243425 0 425795 260685 0 0 395978 16528 949549 194318 182558 491887 294249 262603 769136 685777 393157 0 0 0 764089 229329 156401 779526 201789 709541 2382 168012 138808 17123 0 0 279415 0 134057 131554 2-Aminoadipic acid_C12 PARENT 7074534 4444604 3704806 4680524 5059127 6778473 9471032 5262273 5976605 5946584 5577741 4349722 2716878 6682251 8100527 6883551 6515329 9553415 686046 4855707 6416374 575075 477983 8310162 587222 4987757 7091091 12835588 17105605 12931631 11335537 13740592 6805484 4224083 6759915 8123191 8471102 9955207 11186305 8771103 13214177 8070137 8266046 597045 14545136 6137884 2014272 9365809 6468705 6961052 872098 2-Aminoadipic acid_C13-label-1 590269 182672 183638 227781 235156 269233 316428 244327 627076 290528 382699 240041 189804 531836 530601 291962 401675 600337 243497 263273 470562 593024 407751 282832 36911 23655 719803 926651 1265282 822526 1064548 955958 301613 252707 255405 263735 497106 762522 828888 315619 1078254 531407 590077 649315 963406 653693 0 745298 544269 550388 502615 Carnosine_C12 PARENT 6615731 260472 2115832 3284189 3541677 3951703 13249955 384728 3310689 2445305 1932167 3434495 1816354 14181077 7299666 5731438 2780643 9079072 6535368 5124278 3762154 712946 5027482 19012231 427088 3409762 6755823 5068646 6651082 10957919 10831391 16679944 3329767 2678311 3270649 806124 7700212 7595172 12176471 5706497 9290362 7665587 6749637 431167 7397132 3036524 638082 5353289 2861808 4373793 4703526 Carnosine_C13-label-1 506825 168784 0 147772 213015 573208 1283722 376184 189278 0 118032 188302 0 1657677 739422 559528 143495 917792 256926 490099 248137 667824 685891 1684307 491097 244975 700183 484439 748505 1178511 989493 1201654 334529 203732 0 792103 716597 758931 986787 676026 1151858 797865 446671 387167 819313 146715 0 507409 169538 490347 352352 AMP_C12 PARENT 550748 0 0 1018543 183117 868874 30513116 131952 107108 168001 128993 119686 127033 21600683 126866 13005 0 27204209 26402728 249606 188647 63061269 172147 153338 0 203013 215837 0 0 24013883 3183392 174061 0 167087 155878 230077 2429637 504284 4154256 55852281 22895214 39041912 0 0 15686 0 105475 0 0 269166 2275665 AMP_C13-label-1 0 0 0 0 0 0 3050133 0 0 0 0 0 0 225638 0 0 0 2977882 2907265 0 0 55992 0 0 0 163631 0 0 0 2602466 439708 146582 0 0 0 156386 163294 0 337923 5567946 2258381 4157198 0 0 0 0 0 0 0 0 140397 AMP_C13-label-2 0 0 0 0 0 0 471432 0 0 0 0 0 0 225542 0 0 0 255221 333099 0 0 11086 0 0 0 0 0 0 0 371877 0 0 0 0 0 0 0 0 0 1064447 157607 414031 0 0 0 0 0 0 0 0 0 Cystine_C12 PARENT 17107 0 0 223568 1014328 224133 382594 682104 1062072 1021295 201471 161523 135544 215645 3727862 2568788 1672116 2012968 1740215 3341339 3122896 1673654 1779368 4954655 3311311 2208555 501416 108606 3025685 3147421 1129011 1749875 2868708 89041 3430604 721993 3321733 2596447 2954954 2411111 2701494 3885799 3953535 136663 10710 154027 399972 1356478 114755 220154 374488 Cystine_C13-label-1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 181665 0 0 0 0 0 308008 0 0 198056 147588 154321 0 1031549 0 0 0 0 20008 0 0 337031 187476 0 0 0 0 0 0 0 0 0 0 0 0 13809 0 Glycerol 3-phosphate_C12 PARENT 13218217 8555145 416276 18657758 16633252 10063243 200056 16474673 22659783 1443653 8605877 17349669 4020656 25101473 13033055 16660505 8513029 21793788 30625241 22274911 16447748 27856475 12954271 22975345 12430015 8701816 15606133 4166665 11939246 27047512 13383077 13720405 10074388 4299831 10896674 18252106 15888252 15644331 25391386 18191675 18276586 31906659 16226597 10922715 13594089 6922555 3802962 19524555 10785913 14856988 40834091 Glycerol 3-phosphate_C13-label-1 600357 37905 0 93266 751499 442863 1458386 926821 929308 393944 333335 428943 0 495299 222905 632805 211177 1101402 1314613 693259 411496 1524812 392544 1055535 233812 285859 348279 134642 501299 1044538 391999 568236 277735 0 0 352794 336285 350987 1097646 638453 939008 1511196 716529 264169 509413 336488 0 1033638 620774 2461 1433447 Glycerol 3-phosphate_C13-label-3 0 0 0 279557 0 0 613173 0 327532 0 0 0 0 314638 0 0 0 316485 716841 0 0 1211552 172541 333225 0 0 242715 0 0 13423 5338 0 0 0 0 0 0 0 127432 0 635443 1537897 0 0 0 0 0 16802 0 0 152587 Creatine phosphate_C12 PARENT 4549447 3059384 1037068 4102314 2491454 4744515 47874 2032758 2736926 1447596 1033646 2355159 844419 185987 2459127 185618 1731265 1994312 3689752 616378 4432258 1424321 4199338 459493 2107679 1317863 4140297 2452864 3597839 4094621 3500114 4938959 2812236 1729093 1621728 63814 6033325 6282337 5699319 4038455 560708 5210061 2737251 3541481 3537823 1237758 562459 5324272 2032625 3833497 5903714 Creatine phosphate_C13-label-1 16321 0 0 0 0 153021 162511 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 108517 0 0 0 0 0 113599 137414 109502 0 0 0 0 197758 115307 132291 14562 134495 111056 0 0 104396 0 0 134576 108375 0 96006 IMP_C12 PARENT 390552 133954 91797 669737 188055 662369 2790656 198473 167577 187749 97211 323691 152613 4432191 140559 155731 118025 1791983 270404 33207 272644 7826646 119765 712893 0 272573 650133 145758 12389 6986412 113874 1045329 344915 202571 53045 1055238 1364761 1036246 4230482 1045788 3255852 5658252 126249 100953 145185 123153 124662 338737 127074 706556 1388797 IMP_C13-label-1 139819 109918 13645 264671 469216 154614 288149 212935 486208 434609 121443 415965 314143 494341 162859 276443 185832 34113 504835 370858 370737 959853 161533 120369 106805 559358 201751 302593 204334 673442 163718 132301 724308 290512 44275 404747 47919 152328 241079 275534 393483 959687 369126 111101 119573 144854 217947 117873 107897 124817 153536 Aconitate_C12 PARENT 32816275 22692869 14143361 6728605 58238844 26826591 34131647 61478281 66732962 51776003 43560188 34942212 18263412 42701766 26726119 33636044 22558819 38961238 79491256 7528755 8067215 34113662 36457038 32750753 29092459 39417847 30771028 13958489 29216309 36539722 34878969 18727833 560868 25284462 66551819 50516359 43486409 32340788 32051509 42345766 33010134 50906059 42839116 23809306 26586884 1525268 15578302 27530366 33554247 38484434 80332444 Aconitate_C13-label-1 544356 3156906 2053996 821554 8640782 3597537 5082012 8677687 9248506 6641048 711202 4791611 2613803 5701266 3438565 4775097 2648414 5116743 10828479 10159606 1090465 4179931 4648457 5277472 3445889 5722127 4070853 2054175 3499962 3557006 3918917 2539591 6572995 3027953 7528585 6326964 5317553 3684738 3353584 5585109 4303067 7172546 6203082 3100267 3349771 200933 2040901 3256587 3846229 4295137 7397738 Aconitate_C13-label-2 2010246 1213743 648983 3319971 2917629 1089953 1703479 2296676 3443161 2663681 2758545 1546265 1493226 1879473 955695 1445982 453618 1760734 3278036 2331349 2911433 1234994 183655 1880092 1346512 1786804 1318628 268586 65273 722477 1182965 517499 1546617 283717 1634784 1649029 1734561 693829 671621 1821631 906283 2256279 198083 1121558 961527 597842 623893 85666 1117404 1185394 1303614 Aconitate_C13-label-3 705394 440323 113414 1403095 1466994 220187 687953 840848 1514851 827705 105117 784284 195887 726165 121351 812277 191571 723559 694471 1261699 1231596 518232 616855 683502 298118 641326 557118 137037 194258 497054 321921 0 996208 153295 920398 772538 511786 123794 304211 62929 187606 698615 760219 242752 149044 95837 0 490042 509506 407271 62045 Ribose 5-phosphate_C12 PARENT 10864079 2295853 2078088 14540388 8985427 927641 22087056 5177317 11227019 4425143 2912219 7966553 735361 26081683 6556426 14949086 4823553 27626253 23184212 7055246 4596842 28715159 12201453 21303186 6279047 2090649 1435975 423381 4006754 27313522 9230768 4315207 2134214 1676039 1251484 713953 5485052 12823098 20350755 15673961 13621861 28890238 5060129 1370049 3628625 340399 5072075 10705809 3071109 14685114 2115265 Ribose 5-phosphate_C13-label-1 599565 0 0 966332 419944 541613 1336764 177556 697339 192932 135534 544513 0 1570274 329748 832941 141126 2100203 1525513 222176 188006 1662814 838861 1345964 306803 0 888014 0 131555 1501937 733359 137491 0 0 0 197703 173062 747492 1246737 937435 911723 1486267 186453 0 188113 0 347219 376152 107112 892508 1169318 Ribose 5-phosphate_C13-label-2 102356 0 0 0 0 0 108261 0 0 0 0 119141 0 147837 0 0 0 314894 210625 251863 0 269797 0 111986 0 0 12289 0 0 12618 0 0 0 0 0 0 0 10905 103076 150226 162503 13841 117011 0 0 0 0 0 0 110288 0 Ribose 5-phosphate_C13-label-3 0 0 126277 0 0 101019 0 0 0 0 0 0 0 152938 132484 0 0 178891 424171 0 0 494172 0 12243 0 0 0 0 0 131054 0 0 0 0 0 0 129451 0 122948 0 131786 197052 109076 0 0 0 0 97622 0 9802 128487 Glyceraldehyde-3-phosphate_C12 PARENT 897616 52699 15771 1228764 55058 695263 3050314 282196 870852 80745 203821 174032 0 2757867 1050424 350127 68993 3264634 2962597 1466079 274527 4559868 1353176 2412998 652834 34236 1524485 197225 824806 2305493 801448 85629 259096 0 0 1407794 1071351 978118 2025532 1492675 1850486 41329 408064 424043 625856 111412 344826 1448426 366145 1159813 2446763 Glyceraldehyde-3-phosphate_C13-label-1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 227387 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 Glyceraldehyde-3-phosphate_C13-label-3 0 0 0 0 0 0 134372 0 0 0 0 0 0 0 0 0 0 0 0 0 0 198812 0 0 0 0 0 0 0 0 141119 0 0 0 0 0 0 0 0 0 0 308305 0 0 0 0 0 0 0 0 0 Fructose 6-phosphate_C12 PARENT 1347695 588684 246987 1823421 1040739 1116317 3281185 588402 1453155 1058782 382266 1916988 459676 5447586 1058216 1279238 557819 2627392 3331709 1943938 939685 2220346 1722738 4259855 844038 331225 1965881 196847 710406 14510 1578461 1567608 869841 241451 263367 1873075 1430645 1460509 3647297 2083967 3181078 4442156 1265376 603113 1357433 323949 609975 1922984 772817 2041308 2408818 Fructose 6-phosphate_C13-label-1 221289 0 0 341276 0 8901 564015 0 0 0 105093 179504 0 752122 0 123638 0 260048 323011 142361 0 356856 13686 572691 0 0 286124 0 90291 86907 157115 183556 0 0 0 165442 0 119761 426072 367544 279262 735681 117645 112837 123547 0 0 135025 0 328975 196583 Fructose 6-phosphate_C13-label-2 0 0 0 0 127747 146932 118267 0 0 0 0 140092 0 465098 112059 0 0 161106 259646 0 0 144058 116077 11168 0 0 0 97472 0 90698 114077 0 0 0 0 0 0 0 0 151361 104218 282333 0 115128 0 0 0 90622 0 109537 109784 Fructose 6-phosphate_C13-label-3 0 0 0 0 0 0 145787 0 105274 0 0 241041 0 551967 0 0 0 0 256842 198216 0 354053 110305 353929 0 0 0 0 0 0 372516 97176 0 0 0 137681 0 0 300121 281704 371022 455968 0 0 0 0 0 3466 0 278485 286287 O-Phosphorylethanolamine_C12 PARENT 343689 1540375 1177339 4447819 3176481 2819671 6073831 2984963 5240158 2960142 2180823 5787578 589424 5921711 4192429 4347605 1912989 5887352 6493338 3786526 3039792 11702212 4090139 5711844 3263975 1647806 3133889 1473083 3519512 7009335 333787 3693928 2472383 1864187 193723 3007029 257811 3348396 5334304 6427191 589262 10539527 3862381 315983 5039596 1735115 870432 5178483 2443353 6086575 11061091 GMP_C12 PARENT 789237 0 0 1125903 178443 811528 5025786 0 158264 134927 0 277052 0 4943916 0 0 0 6280203 6721947 176102 0 1078799 0 478528 0 0 331093 0 235675 3941061 1493873 519501 149382 151485 0 1533643 1134226 810384 2192838 10004978 4859489 1103262 0 0 299623 0 0 622894 0 1305678 242365 GMP_C13-label-2 0 0 0 0 0 0 104394 0 0 0 0 0 0 117898 0 0 0 108869 0 0 0 1213 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 253288 0 157591 0 0 0 0 0 0 0 0 0 GMP_C13-label-3 0 0 0 0 0 0 0 0 0 0 87502 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 120263 0 0 0 0 0 0 0 0 0 0 GMP_C13-label-5 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 111853 0 0 0 0 110941 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 GMP_C13-label-1 13099 117919 0 152435 121525 0 774762 118816 12193 14304 0 109262 0 692595 0 110034 0 677303 801001 168507 195863 1396022 109048 0 0 177894 0 0 135744 604266 0 103948 213125 225628 172027 19158 177015 117059 389085 1192366 585372 129611 0 0 111185 98314 105519 98983 0 112178 281715 Isocitrate_C12 PARENT 4266866 12495959 2838216 12977041 12901772 4503819 9423541 12862422 2755985 13508105 12578359 30019156 2976663 7021262 4553073 7231584 5433573 3184736 46591975 907365 60560512 1808337 325746 8728492 10769721 8917438 10094824 7111712 3641362 19799492 2152533 4472333 6271079 3565149 7376268 10986188 11843228 86433 7533666 4804206 8962152 32486709 30526656 18680133 4645255 3347831 2954115 8688316 7202866 935067 19597125 Isocitrate_C13-label-1 318399 1001917 138159 79208 904655 173109 332817 923934 2615704 357702 1152957 2416512 169179 259659 233606 55156 502904 154882 3232616 368932 3870964 1381964 176995 1034482 1213206 659767 334394 538745 221667 1645723 195319 148214 226792 196758 260451 773629 365935 48066 542466 176772 759425 3216701 3157342 1488414 447496 172679 161625 744651 273502 349824 2205093 Glucose 6-phosphate_C12 PARENT 1347695 588684 246987 1823421 1040739 1116317 3281185 588402 1453155 1058782 382266 1916988 459676 5447586 1058216 1279238 557819 2627392 3331709 1943938 939685 2220346 1722738 4259855 844038 331225 1965881 196847 710406 14510 1578461 1567608 869841 241451 263367 1873075 1430645 1460509 3647297 2083967 3181078 4442156 1265376 603113 1357433 323949 609975 1922984 772817 2041308 2408818 Glucose 6-phosphate_C13-label-1 221289 0 0 341276 0 0 564015 0 0 0 105093 179504 0 752122 0 123638 0 260048 323011 142361 0 356856 13686 572691 0 0 286124 0 90291 86907 157115 183556 0 0 0 165442 0 119761 426072 367544 279262 735681 117645 112837 123547 0 0 135025 0 328975 196583 Glucose 6-phosphate_C13-label-3 0 0 0 0 0 0 145787 0 105274 0 0 241041 0 551967 0 0 0 0 256842 198216 0 354053 110305 353929 0 0 0 0 0 0 372516 97176 0 0 0 137681 0 0 300121 281704 371022 455968 0 0 0 0 0 3466 0 278485 286287 Glucose 6-phosphate_C13-label-6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 381692 0 0 327609 0 0 0 0 0 0 0 0 119299 0 0 0 0 0 0 0 154471 147639 123346 405713 111946 0 0 0 0 10497 0 115203 0 Citrate_C12 PARENT 4144913 1470876 2254147 2603588 3584184 2831109 6090019 4830031 6060983 1546118 4024032 460215 1293515 7977901 293988 3000788 1303198 8370791 8110607 3221053 2795633 1400453 6113586 8153518 4734696 1851839 3901173 1615559 2553027 7867362 443273 1888511 152109 1940943 127236 2719413 1896182 866774 6297326 674725 5211143 6782502 0 2936333 2364133 972598 453347 2488492 1843716 13030323 0 Citrate_C13-label-1 1113302 365637 256518 64479 10961 855992 1259048 1332345 1410358 629723 1107432 991407 156249 1352919 892009 1113478 233587 1569757 1766288 139166 868626 1683261 1302961 1314539 957867 26287 951021 254148 653325 1439791 1169563 636737 512759 269544 273307 334631 704666 1058924 1081109 1676796 1231601 1613011 1440323 527202 520187 181634 869529 513085 351275 146614 2588944 Ornithine_C12 PARENT 7133941 7829468 5178589 8707032 579209 10932809 96167 5934443 8180741 7641416 6312793 18625144 4011257 8252295 10205506 112958 11799854 11498638 8329291 8266995 11785069 10281282 13001085 1738912 9806484 8327927 9734946 46757566 10953174 12734623 20233567 23479781 10146075 4272865 10960921 8621931 8629061 11923449 11159215 13619002 11633309 18188961 11581105 37146816 1717643 29185484 2109275 11302634 10434615 10910562 10801265 Ornithine_C13-label-1 641168 615448 307341 359425 379563 629833 720047 357084 339672 514066 410292 1187708 189065 507094 685503 76909 757263 908425 257121 441555 0 613062 948606 1117397 39537 42932 631194 3100138 526073 682375 123105 1480905 256807 151154 435228 320761 629648 817002 819121 794777 776159 1119246 420046 2231609 958549 1979228 0 640505 715034 0 509686 Arginine_C12 PARENT 24611323 11137734 1134619 25238544 24647444 22207645 2859605 21966136 2378897 2591668 21903573 1518978 12607491 25759481 32599153 36316909 28825822 3596785 29692556 25116177 38906366 30719366 30674566 42401934 27303928 27422094 19960673 60317319 40631647 43203434 20453338 535480 39233959 16408484 37353716 30428578 30860828 42371934 45576216 47512116 42147753 35842416 43860578 695459 29818047 2289002 5383648 42570288 37676616 39934991 43395328 Arginine_C13-label-1 1628104 773063 570881 2018595 1814626 1479057 1676251 1380304 159322 1620021 1604702 1058091 875645 1671478 2445814 2319544 1680487 1830543 1980109 1987195 3065539 2279138 1980493 3169334 1726754 2169693 1624321 5458729 3255903 3033117 1608857 4348312 2875473 1278136 2429131 2130007 2253899 2943519 3511834 3377077 2720528 2854459 3639748 468045 2065682 0 144862 2916782 2671333 2515576 2984423 Lysine_C12 PARENT 938141 81035381 47509041 68009269 6769685 84395025 1008361 63576106 72115231 63099019 65086675 89089169 47064059 93728194 119565812 191384562 130714638 135412562 66826344 95769525 114846375 87470231 127569412 204743038 108123088 94471969 104036819 370494325 102511119 992564 1032976 246064525 100004994 44532003 123703488 94971794 7372455 12335085 116544475 93783644 99577275 119713262 117362938 107526012 11050765 82009981 10307884 107906988 84239419 89465331 99141219 Lysine_C13-label-1 6020022 5582764 2946011 41204 4352939 5725356 6156638 4449372 4552516 4203018 4160089 5553947 3286763 6066448 7622484 12803791 8800582 9755098 4430579 5740981 7169883 6000057 8016505 14481117 6722882 5346414 64975 24357164 7125523 6282006 6391237 16046719 6432363 3085445 7428159 6436287 4958264 7252691 7455874 6013211 606988 7636173 8095443 7338405 7252181 4773911 730503 7473382 5955243 5540895 6424307 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name medMz medRt Serine_C12 PARENT 104.035179 7.373 Serine_C13-label-1 105.038506 7.37 Serine_C13-label-2 106.041725 7.381 Serine_C13-label-3 107.045357 7.354 Retinyl acetate_C12 PARENT 327.232239 1.248 Retinyl acetate_C13-label-1 328.235443 1.249 Retinyl acetate_C13-label-12 339.271698 1.274 Retinyl acetate_C13-label-16 343.284424 1.268 Retinyl acetate_C13-label-17 344.28775 1.256 Retinyl acetate_C13-label-18 345.290436 1.254 Retinyl acetate_C13-label-2 329.238922 1.248 Retinyl acetate_C13-label-22 349.309967 1.245 Retinyl acetate_C13-label-3 330.240723 1.221 Retinyl acetate_C13-label-6 333.255981 1.243 2-Hydroxypyridine_C12 PARENT 94.029739 1.903 2-Hydroxypyridine_C13-label-1 95.033066 1.878 Thymine_C12 PARENT 125.035416 2.004 Thymine_C13-label-1 126.038864 1.997 3-Methyl-2-oxovalerate_C12 PARENT 129.055557 1.947 3-Methyl-2-oxovalerate_C13-label-1 130.058624 1.986 3-Methyl-2-oxovalerate_C13-label-2 131.061966 1.9 Thymidine_C12 PARENT 241.082977 2.006 Thymidine_C13-label-1 242.086411 2.019 Thymidine_C13-label-8 249.112198 1.969 Thymidine_C13-label-9 250.114807 2.001 2-Ketoisovalerate_C12 PARENT 115.039917 2.027 2-Ketoisovalerate_C13-label-1 116.04335 2.054 Uracil_C12 PARENT 111.01989 2.113 Uracil_C13-label-1 112.023109 2.105 N-Acetyl-phenylalanine_C12 PARENT 206.082016 2.202 N-Acetyl-phenylalanine_C13-label-1 207.085419 2.188 Acetyl-tryptophan_C12 PARENT 245.092773 2.23 2-Deoxyuridine_C12 PARENT 227.067108 2.207 2-Deoxyuridine_C13-label-1 228.070328 2.214 2-Deoxyuridine_C13-label-2 229.072281 2.221 2-Deoxyuridine_C13-label-3 230.07692 2.184 N-Acetyl-Leucine_C12 PARENT 172.097626 2.233 N-Acetyl-Leucine_C13-label-1 173.100693 2.216 N-Acetyl-Leucine_C13-label-2 174.104355 2.203 Isovalerylglycine_C12 PARENT 158.08194 2.591 Isovalerylglycine_C13-label-1 159.085495 2.598 Isovalerylglycine_C13-label-3 161.091492 2.614 N-Acetyl-methionine_C12 PARENT 190.053955 2.753 Pyruvate_C12 PARENT 87.00856 2.673 Pyruvate_C13-label-1 88.011894 2.688 Pyruvate_C13-label-2 89.015297 2.69 Pyruvate_C13-label-3 90.0186 2.685 N-Formyl-L-methionine_C12 PARENT 176.038101 3.03 N-Formyl-L-methionine_C13-label-1 177.040482 2.972 3-Methyladenine_C12 PARENT 148.061508 2.698 3-Methyladenine_C13-label-1 149.064789 2.684 Homovanillic acid_C12 PARENT 181.050079 2.705 Homovanillic acid_C13-label-1 182.053696 2.711 Uridine_C12 PARENT 243.061584 2.72 Uridine_C13-label-1 244.065613 2.727 Uridine_C13-label-3 246.071579 2.724 Pyridoxal_C12 PARENT 166.050476 2.746 Uridine_C13-label-2 245.066757 2.991 Creatinine_C12 PARENT 112.051445 2.736 Creatinine_C13-label-1 113.05481 2.714 Allantoin_C12 PARENT 157.036148 3.068 Allantoin_C13-label-1 158.040024 3.062 Allantoin_C13-label-2 159.043442 3.049 Allantoin_C13-label-3 160.046814 3.073 Nicotinic acid_C12 PARENT 122.024437 2.42 Deoxycytidine_C12 PARENT 226.083008 3.071 Deoxycytidine_C13-label-1 227.086853 3.098 2-Hydroxybutyrate_C12 PARENT 103.040016 3.254 Tryptophan_C12 PARENT 203.082169 3.23 Tryptophan_C13-label-1 204.08551 3.238 Tryptophan_C13-label-2 205.089081 3.234 Acetoacetate_C12 PARENT 101.024315 3.348 Acetoacetate_C13-label-1 102.027679 3.362 Acetylcholine_C12 PARENT 144.102692 3.061 Acetylcholine_C13-label-1 145.105942 3.056 Inosine_C12 PARENT 267.071747 3.621 Inosine_C13-label-1 268.076202 3.399 Phenylalanine_C12 PARENT 164.071289 3.389 Phenylalanine_C13-label-1 165.074371 3.39 Phenylalanine_C13-label-2 166.078064 3.383 Erythritol_C12 PARENT 121.050484 3.531 2-Deoxy-D-glucose_C12 PARENT 163.060669 3.848 2-Deoxy-D-glucose_C13-label-1 164.06427 3.792 2-Deoxy-D-glucose_C13-label-2 165.0681 3.378 Mevalonate_C12 PARENT 147.065903 3.93 Mevalonate_C13-label-1 148.069458 3.898 Orotate_C12 PARENT 155.009384 3.889 Orotate_C13-label-1 156.013184 3.882 Orotate_C13-label-2 157.016129 3.918 Orotate_C13-label-3 158.01976 3.865 Methyl Galactoside_C12 PARENT 193.071259 4.022 Methyl Galactoside_C13-label-1 194.074631 4.034 Methyl Galactoside_C13-label-2 195.077209 3.998 Methyl Galactoside_C13-label-3 196.080933 4.035 Methyl Galactoside_C13-label-6 199.09021 4.076 Leucine_C12 PARENT 130.086945 3.758 Leucine_C13-label-1 131.090332 3.759 Leucine_C13-label-2 132.093796 3.812 Cytidine_C12 PARENT 242.077484 3.805 Cytidine_C13-label-1 243.081009 3.827 3-Hydroxybutyrate_C12 PARENT 103.040001 4.045 3-Hydroxybutyrate_C13-label-1 104.043327 4.071 3-Hydroxybutyrate_C13-label-2 105.046509 4.041 Lactate_C12 PARENT 89.024216 4.052 Lactate_C13-label-1 90.027534 4.063 Lactate_C13-label-2 91.030975 4.034 Lactate_C13-label-3 92.034317 4.053 Fucose_C12 PARENT 163.060654 4.636 Fucose_C13-label-1 164.064148 4.63 N-Acetyl-L-alanine_C12 PARENT 130.050629 4.145 N-Acetyl-L-alanine_C13-label-1 131.054062 4.16 N-Acetyl-L-alanine_C13-label-3 133.060898 4.177 Isoleucine_C12 PARENT 130.086929 4.181 Isoleucine_C13-label-1 131.090332 4.135 Isoleucine_C13-label-2 132.093796 4.123 Methionine_C12 PARENT 148.043457 4.273 Methionine_C13-label-1 149.046967 4.279 Arabinose_C12 PARENT 149.045349 4.617 Arabinose_C13-label-1 150.04834 4.589 Arabitol_C12 PARENT 151.060989 4.55 Arabitol_C13-label-1 152.064453 4.506 Arabitol_C13-label-3 154.070892 4.529 Arabitol_C13-label-5 156.078033 4.504 Urocanate_C12 PARENT 137.035248 4.529 Urocanate_C13-label-1 138.03862 4.472 Urocanate_C13-label-6 143.057007 4.579 Acetyl-serine_C12 PARENT 146.045456 4.662 Acetyl-serine_C13-label-1 147.048813 4.679 N-Acetylglycine_C12 PARENT 116.035172 4.62 N-Acetylglycine_C13-label-1 117.038582 4.63 Pyroglutamate_C12 PARENT 128.035126 4.644 Pyroglutamate_C13-label-1 129.038498 4.692 Pyroglutamate_C13-label-2 130.041626 4.666 Pyroglutamate_C13-label-3 131.044983 4.667 2-Keto-3-deoxy-D-gluconate_C12 PARENT 177.040176 4.641 2-Keto-3-deoxy-D-gluconate_C13-label-1 178.043808 4.613 Glycerate_C12 PARENT 105.019165 4.804 Glycerate_C13-label-1 106.022507 4.818 Tyrosine_C12 PARENT 180.066376 4.662 Tyrosine_C13-label-1 181.069946 4.655 Valine_C12 PARENT 116.071472 5.241 Valine_C13-label-1 117.074883 5.21 Valine_C13-label-2 118.078384 5.167 Taurine_C12 PARENT 124.007042 4.653 Taurine_C13-label-1 125.010506 4.653 Taurine_C13-label-2 126.013527 4.649 N N-dimethylglycine_C12 PARENT 102.055885 5.822 N N-dimethylglycine_C13-label-1 103.059334 5.819 N N-dimethylglycine_C13-label-2 104.061874 5.733 N N-dimethylglycine_C13-label-3 105.06514 5.788 Pipecolate_C12 PARENT 128.07135 5.434 Pipecolate_C13-label-1 129.075073 5.433 Glucose_C12 PARENT 179.055664 5.721 Glucose_C13-label-1 180.059204 5.711 Glucose_C13-label-2 181.0625 5.704 Glucose_C13-label-3 182.065674 5.712 Glucose_C13-label-4 183.069275 5.725 Glucose_C13-label-5 184.072266 5.715 Glucose_C13-label-6 185.07579 5.708 Proline_C12 PARENT 114.055817 5.607 Proline_C13-label-1 115.059097 5.635 Proline_C13-label-2 116.062622 5.629 Proline_C13-label-4 118.070045 5.608 Galactitol_C12 PARENT 181.071335 5.599 Galactitol_C13-label-1 182.074738 5.625 Thiamine_C12 PARENT 263.096649 5.534 Thiamine_C13-label-1 264.100037 5.532 Thiamine_C13-label-10 273.133301 5.493 Thiamine_C13-label-2 265.103149 5.53 Thiamine_C13-label-6 269.115387 5.487 Creatine_C12 PARENT 130.061844 6.305 Creatine_C13-label-1 131.065063 6.298 Alanine_C12 PARENT 88.040192 6.392 Alanine_C13-label-1 89.043579 6.383 Alanine_C13-label-2 90.046875 6.379 Alanine_C13-label-3 91.050293 6.374 Hypotaurine_C12 PARENT 108.012367 6.363 trans-4-Hydroxy-L-proline_C12 PARENT 130.050583 6.396 trans-4-Hydroxy-L-proline_C13-label-1 131.054199 6.372 Threonine_C12 PARENT 118.050789 6.732 Threonine_C13-label-1 119.054184 6.635 Threonine_C13-label-4 122.064346 6.652 Threonine_C13-label-2 120.056908 6.519 Glycine_C12 PARENT 74.024673 6.898 Glycine_C13-label-1 75.028015 6.863 Glycine_C13-label-2 76.03083 7.372 Sucrose_C12 PARENT 341.108276 7.098 Sucrose_C13-label-1 342.111298 7.108 Sucrose_C13-label-2 343.113129 7.086 Sucrose_C13-label-3 344.116333 7.107 Methionine sulfoxide_C12 PARENT 164.038376 7.046 2-Oxoadipic acid_C12 PARENT 159.029572 7.616 2-Oxoadipic acid_C13-label-1 160.033112 7.571 Glutamine_C12 PARENT 145.061508 7.19 Glutamine_C13-label-1 146.065002 7.189 Glutamine_C13-label-2 147.068375 7.185 Glutamine_C13-label-3 148.071762 7.191 Glutamine_C13-label-4 149.074829 7.195 Glutamine_C13-label-5 150.078033 7.175 Asparagine_C12 PARENT 131.045929 7.492 Asparagine_C13-label-1 132.049316 7.451 Asparagine_C13-label-2 133.05249 7.436 Alpha-Ketoglutarate_C12 PARENT 145.014069 8.036 Alpha-Ketoglutarate_C13-label-1 146.017136 7.978 Alpha-Ketoglutarate_C13-label-2 147.020752 8.006 Alpha-Ketoglutarate_C13-label-3 148.024002 7.979 Alpha-Ketoglutarate_C13-label-4 149.027237 8.09 Methyl-histidine_C12 PARENT 168.077133 7.359 Methyl-histidine_C13-label-1 169.080597 7.362 Fumarate_C12 PARENT 115.003502 8.03 Fumarate_C13-label-1 116.006866 8 Fumarate_C13-label-2 117.010231 8.275 Fumarate_C13-label-3 118.013977 8.274 3-Hydroxy-3-methylglutarate_C12 PARENT 161.04509 8.708 3-Hydroxy-3-methylglutarate_C13-label-1 162.048325 8.712 Citrulline_C12 PARENT 174.088028 7.738 Citrulline_C13-label-1 175.091156 7.729 Citrulline_C13-label-2 176.095078 7.735 Inositol_C12 PARENT 179.055664 8.21 Inositol_C13-label-1 180.059418 8.194 Inositol_C13-label-4 183.069366 8.152 Glutaric acid_C12 PARENT 131.034683 8.528 Glutaric acid_C13-label-1 132.037994 8.543 N-Acetyl-glutamate_C12 PARENT 188.055954 8.655 N-Acetyl-glutamate_C13-label-1 189.059723 8.601 N-Acetyl-glutamate_C13-label-2 190.062698 8.615 Glucuronic acid_C12 PARENT 193.034958 8.55 Glucuronic acid_C13-label-1 194.038254 8.519 Glucuronic acid_C13-label-2 195.041885 8.53 Glucuronic acid_C13-label-3 196.045227 8.519 Glucuronic acid_C13-label-4 197.048508 8.549 Glucuronic acid_C13-label-5 198.051956 8.527 Glucuronic acid_C13-label-6 199.055389 8.525 Succinic acid_C12 PARENT 117.019165 8.669 Succinic acid_C13-label-1 118.022591 8.666 Succinic acid_C13-label-2 119.025757 8.62 Succinic acid_C13-label-3 120.029167 8.643 Citramalate_C12 PARENT 147.029724 8.767 Citramalate_C13-label-1 148.032745 8.774 Citramalate_C13-label-2 149.036591 8.754 Citramalate_C13-label-3 150.039551 8.753 N-Acetyl-aspartate_C12 PARENT 174.040604 8.769 N-Acetyl-aspartate_C13-label-3 177.050247 8.735 N-Acetyl-aspartate_C13-label-1 175.042984 8.655 N-Acetyl-aspartate_C13-label-2 176.046677 8.872 Histidine_C12 PARENT 154.061951 8.703 Histidine_C13-label-1 155.06543 8.701 Glutamate_C12 PARENT 146.045517 8.697 Glutamate_C13-label-1 147.048813 8.692 Glutamate_C13-label-2 148.052582 8.699 Glutamate_C13-label-3 149.055786 8.688 Glutamate_C13-label-4 150.059097 8.659 Ophthalmate_C12 PARENT 288.119354 8.706 Ophthalmate_C13-label-1 289.122589 8.687 Aspartate_C12 PARENT 132.029922 8.946 Aspartate_C13-label-3 135.039795 8.883 Aspartate_C13-label-1 133.033218 8.924 Aspartate_C13-label-2 134.036087 8.84 Malate_C12 PARENT 133.014038 9.22 Malate_C13-label-2 135.020523 9.132 Malate_C13-label-3 136.023987 9.136 Malate_C13-label-1 134.017197 9.142 Anserine_C12 PARENT 239.11441 8.491 Anserine_C13-label-1 240.118027 8.497 2-Aminoadipic acid_C12 PARENT 160.06102 8.929 2-Aminoadipic acid_C13-label-1 161.064407 8.978 Carnosine_C12 PARENT 225.09874 8.664 Carnosine_C13-label-1 226.102325 8.665 AMP_C12 PARENT 346.054504 9.702 AMP_C13-label-1 347.058533 9.563 AMP_C13-label-2 348.060181 9.551 Cystine_C12 PARENT 239.016022 9.661 Cystine_C13-label-1 240.019714 9.67 Glycerol 3-phosphate_C12 PARENT 171.006134 9.72 Glycerol 3-phosphate_C13-label-1 172.009521 9.67 Glycerol 3-phosphate_C13-label-3 174.016235 9.661 Creatine phosphate_C12 PARENT 210.028076 10.099 Creatine phosphate_C13-label-1 211.031311 10.088 IMP_C12 PARENT 347.038086 10.48 IMP_C13-label-1 348.041656 11.201 Aconitate_C12 PARENT 173.008591 10.364 Aconitate_C13-label-1 174.012283 10.362 Aconitate_C13-label-2 175.015747 10.363 Aconitate_C13-label-3 176.018951 10.362 Ribose 5-phosphate_C12 PARENT 229.01149 9.891 Ribose 5-phosphate_C13-label-1 230.014618 9.892 Ribose 5-phosphate_C13-label-2 231.01712 9.938 Ribose 5-phosphate_C13-label-3 232.021942 9.921 Glyceraldehyde-3-phosphate_C12 PARENT 168.990189 9.706 Glyceraldehyde-3-phosphate_C13-label-1 169.993698 9.678 Glyceraldehyde-3-phosphate_C13-label-3 172.000916 9.696 Fructose 6-phosphate_C12 PARENT 259.021545 11.454 Fructose 6-phosphate_C13-label-1 260.025055 11.44 Fructose 6-phosphate_C13-label-2 261.028625 11.426 Fructose 6-phosphate_C13-label-3 262.031952 11.44 O-Phosphorylethanolamine_C12 PARENT 140.011642 10.289 GMP_C12 PARENT 362.050079 10.81 GMP_C13-label-2 364.054932 10.832 GMP_C13-label-3 365.060608 10.652 GMP_C13-label-5 367.069763 10.631 GMP_C13-label-1 363.051819 10.785 Isocitrate_C12 PARENT 191.01944 9.664 Isocitrate_C13-label-1 192.022919 9.716 Glucose 6-phosphate_C12 PARENT 259.021576 11.458 Glucose 6-phosphate_C13-label-1 260.025024 11.433 Glucose 6-phosphate_C13-label-3 262.031982 11.44 Glucose 6-phosphate_C13-label-6 265.042053 11.451 Citrate_C12 PARENT 191.01944 11.799 Citrate_C13-label-1 192.022888 12.631 Ornithine_C12 PARENT 131.08223 10.341 Ornithine_C13-label-1 132.085541 10.394 Arginine_C12 PARENT 173.103928 10.201 Arginine_C13-label-1 174.107193 10.202 Lysine_C12 PARENT 145.097839 11.009 Lysine_C13-label-1 146.101166 10.99 METABOLITES_END #END