#METABOLOMICS WORKBENCH njamshidi_20250709_222459 DATATRACK_ID:6151 STUDY_ID:ST004096 ANALYSIS_ID:AN006791 PROJECT_ID:PR002573 VERSION 1 CREATED_ON 12-29-2025 #PROJECT PR:PROJECT_TITLE The loss of Peroxiredoxin 2 in mice disrupts the biochemical aging phenotype in PR:PROJECT_TITLE erythrocytes PR:PROJECT_TYPE Targeted time course metabolomic profiles of red blood cells in vivo PR:PROJECT_SUMMARY Biochemical aging is a complex, multi-factorial process involving declines in PR:PROJECT_SUMMARY energy metabolism and the ability to maintain redox states over time. The PR:PROJECT_SUMMARY peroxiredoxin family of enzymes is critical for maintenance of cellular redox PR:PROJECT_SUMMARY states. In mice, enucleate mature red blood cells (RBC) have a lifespan of about PR:PROJECT_SUMMARY 50 days and thus provide an ideal cell to track cellular aging in vivo. In order PR:PROJECT_SUMMARY to characterize the consequence of compromised redox function, we assessed the PR:PROJECT_SUMMARY RBC metabolome at different time points using biotin labeling to isolate PR:PROJECT_SUMMARY specific RBC populations. 183 distinct metabolites were profiled and quantified PR:PROJECT_SUMMARY using mass spectrometry from cell populations of defined ages at approximately PR:PROJECT_SUMMARY 1, 2, and 3 weeks. Interestingly, the general patterns between RBC derived from PR:PROJECT_SUMMARY wildtype and Prdx2 knockout mice RBC were concordant with one another, with PR:PROJECT_SUMMARY significant alterations in ATP producing reactions, as well as redox maintenance PR:PROJECT_SUMMARY and membrane structure maintenance related metabolic reactions. However, most of PR:PROJECT_SUMMARY the age-related metabolite shifts seen in both wildtype and Prdx2 knockout RBC PR:PROJECT_SUMMARY over time were noted to be significantly more pronounced in the Prdx2 knockouts, PR:PROJECT_SUMMARY suggesting an ‘older’ biochemical age phenotype. PR:INSTITUTE Scripps Research Institute PR:LABORATORY Jeffrey Friedman PR:LAST_NAME Friedman PR:FIRST_NAME Jeffrey PR:ADDRESS 10550 North Torrey Pines Road La Jolla, CA 92037 PR:EMAIL njamshidi@mednet.ucla.edu PR:PHONE 310.794.1411 PR:FUNDING_SOURCE from NIH RO1 DK080232, R21 DK075763 and W8IXWH-10-2-0059 PR:PUBLICATIONS submitted PR:DOI http://dx.doi.org/10.21228/M82C09 PR:CONTRIBUTORS Edward D. Karoly, Robert Mohney #STUDY ST:STUDY_TITLE The loss of Peroxiredoxin 2 in mice leads to a disrupted biochemical aging ST:STUDY_TITLE phenotype in erythrocytes ST:STUDY_SUMMARY Biochemical aging is a complex, multi-factorial process involving declines in ST:STUDY_SUMMARY energy metabolism and the ability to maintain redox states over time. The ST:STUDY_SUMMARY peroxiredoxin family of enzymes is critical for maintenance of cellular redox ST:STUDY_SUMMARY states. In mice, enucleate mature red blood cells (RBC) have a lifespan of about ST:STUDY_SUMMARY 50 days and thus provide an ideal cell to track cellular aging in vivo. In order ST:STUDY_SUMMARY to characterize the consequence of compromised redox function, we assessed the ST:STUDY_SUMMARY RBC metabolome at different time points using biotin labeling to isolate ST:STUDY_SUMMARY specific RBC populations. 183 distinct metabolites were profiled and quantified ST:STUDY_SUMMARY using mass spectrometry from cell populations of defined ages at approximately ST:STUDY_SUMMARY 1, 2, and 3 weeks. Interestingly, the general patterns between RBC derived from ST:STUDY_SUMMARY wildtype and Prdx2 knockout mice RBC were concordant with one another, with ST:STUDY_SUMMARY significant alterations in ATP producing reactions, as well as redox maintenance ST:STUDY_SUMMARY and membrane structure maintenance related metabolic reactions. However, most of ST:STUDY_SUMMARY the age-related metabolite shifts seen in both wildtype and Prdx2 knockout RBC ST:STUDY_SUMMARY over time were noted to be significantly more pronounced in the Prdx2 knockouts, ST:STUDY_SUMMARY suggesting an ‘older’ biochemical age phenotype. ST:INSTITUTE Scripps Research Institute ST:LABORATORY Jeffrey Friedman ST:LAST_NAME Friedman ST:FIRST_NAME Jeffrey ST:ADDRESS 10550 North Torrey Pines Road La Jolla, CA 92037 ST:EMAIL njamshidi@mednet.ucla.edu ST:PHONE 310.794.1411 ST:SUBMIT_DATE 2025-07-09 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENOTYPE_STRAIN C57/BL6 or Prdx2 knockout male mice from The Jackson Laboratory SU:GENDER Male SU:ANIMAL_ANIMAL_SUPPLIER The Jackson Laboratory #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - TSRI-00057 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_20; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_20; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_19 SUBJECT_SAMPLE_FACTORS - TSRI-00058 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_09r; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_09; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_08 SUBJECT_SAMPLE_FACTORS - TSRI-00059 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_33; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_33; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_32 SUBJECT_SAMPLE_FACTORS - TSRI-00060 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_16; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_16; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_15r SUBJECT_SAMPLE_FACTORS - TSRI-00065 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_23; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_23; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_22 SUBJECT_SAMPLE_FACTORS - TSRI-00066 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_29; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_29; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_28 SUBJECT_SAMPLE_FACTORS - TSRI-00067 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_25; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_25; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_24r SUBJECT_SAMPLE_FACTORS - TSRI-00068 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_07; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_07; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_06 SUBJECT_SAMPLE_FACTORS - TSRI-00073 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_12; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_12; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_11r SUBJECT_SAMPLE_FACTORS - TSRI-00074 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_21; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_21; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_20r SUBJECT_SAMPLE_FACTORS - TSRI-00075 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_13; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_13; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_12r SUBJECT_SAMPLE_FACTORS - TSRI-00076 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_37; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_37; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_36r SUBJECT_SAMPLE_FACTORS - TSRI-00081 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_25; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_25; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_24 SUBJECT_SAMPLE_FACTORS - TSRI-00082 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_16; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_16; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_15 SUBJECT_SAMPLE_FACTORS - TSRI-00083 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_21; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_21; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_20 SUBJECT_SAMPLE_FACTORS - TSRI-00084 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_15; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_15; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_14r SUBJECT_SAMPLE_FACTORS - TSRI-00041 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_33; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_33; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_32 SUBJECT_SAMPLE_FACTORS - TSRI-00042 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_15; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_15; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_14 SUBJECT_SAMPLE_FACTORS - TSRI-00043 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_22; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_22; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_21 SUBJECT_SAMPLE_FACTORS - TSRI-00044 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_36; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_36; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_35 SUBJECT_SAMPLE_FACTORS - TSRI-00049 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_14; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_14; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_13 SUBJECT_SAMPLE_FACTORS - TSRI-00050 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_07r; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_07; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_06r SUBJECT_SAMPLE_FACTORS - TSRI-00051 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_08; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_08; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_07 SUBJECT_SAMPLE_FACTORS - TSRI-00052 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_28; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_28; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_27r SUBJECT_SAMPLE_FACTORS - TSRI-00053 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_08r; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_08; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_07r SUBJECT_SAMPLE_FACTORS - TSRI-00054 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_31; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_31; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_30 SUBJECT_SAMPLE_FACTORS - TSRI-00055 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_17; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_17; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_16 SUBJECT_SAMPLE_FACTORS - TSRI-00056 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_14; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_14; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_13r SUBJECT_SAMPLE_FACTORS - TSRI-00061 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_37; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_37; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_36 SUBJECT_SAMPLE_FACTORS - TSRI-00062 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_38; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_38; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_37 SUBJECT_SAMPLE_FACTORS - TSRI-00063 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_32; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_32; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_31 SUBJECT_SAMPLE_FACTORS - TSRI-00064 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_30; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_30; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_29 SUBJECT_SAMPLE_FACTORS - TSRI-00069 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_17; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_17; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_16 SUBJECT_SAMPLE_FACTORS - TSRI-00070 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_32; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_32; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_31 SUBJECT_SAMPLE_FACTORS - TSRI-00071 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_31; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_31; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_30 SUBJECT_SAMPLE_FACTORS - TSRI-00072 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_20; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_20; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_19 SUBJECT_SAMPLE_FACTORS - TSRI-00077 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_30; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_30; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_29 SUBJECT_SAMPLE_FACTORS - TSRI-00078 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_28; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_28; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_27 SUBJECT_SAMPLE_FACTORS - TSRI-00079 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_23; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_23; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_22 SUBJECT_SAMPLE_FACTORS - TSRI-00080 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_29; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_29; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_28 SUBJECT_SAMPLE_FACTORS - TSRI-00037 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_13; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_13; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_12 SUBJECT_SAMPLE_FACTORS - TSRI-00038 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_22; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_22; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_21 SUBJECT_SAMPLE_FACTORS - TSRI-00039 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_24; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_24; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_23 SUBJECT_SAMPLE_FACTORS - TSRI-00040 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_12; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_12; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_11 SUBJECT_SAMPLE_FACTORS - TSRI-00045 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_24; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_24; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_23 SUBJECT_SAMPLE_FACTORS - TSRI-00046 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110330_TSRI0111_BLOOD1_36; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110330_TSRI0111_BLOOD1_36; RAW_FILE_NAME(GC_FILES)=DSQ220110330_TSRI_CELLS_1_35 SUBJECT_SAMPLE_FACTORS - TSRI-00047 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_38; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_38; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_37 SUBJECT_SAMPLE_FACTORS - TSRI-00048 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 RAW_FILE_NAME(LC_NEG_FILES)=LTQ3NEG20110331_TSRI0111_BLOOD2_06; RAW_FILE_NAME(LC_POS_FILES)=LTQ3POS20110331_TSRI0111_BLOOD2_06; RAW_FILE_NAME(GC_FILES)=DSQ220110331_TSRI_CELLS_2_05r #COLLECTION CO:COLLECTION_SUMMARY RBC of defined age were isolated using streptavidin-magnetic beads and LD CO:COLLECTION_SUMMARY columns (Miltenyi, Auburn, CA) to pull down biotin labeled cells for comparative CO:COLLECTION_SUMMARY biochemical studies. 100 μl of streptavidin beads were added to a variable CO:COLLECTION_SUMMARY volume of saline washed, packed red cells. The volume of packed cells used CO:COLLECTION_SUMMARY ranged between 150— 600 μl, depending upon the percentage of biotinylated CO:COLLECTION_SUMMARY cells in the sample. In order to increase the fraction of biotin - cells CO:COLLECTION_SUMMARY available at day 8, animals for this point were phlebotomized 1 day after biotin CO:COLLECTION_SUMMARY labeling to stimulate production of new cells prior to harvest at day 8. In each CO:COLLECTION_SUMMARY separation, a total of 100 μl of biotin labeled cells was targeted for CO:COLLECTION_SUMMARY purification. Cells were distributed to those analyses requiring viable cells, CO:COLLECTION_SUMMARY with the remaining cells stored at -80°C until used for metabolomics. Mean CO:COLLECTION_SUMMARY purity of all Biotin+ samples was 96.4% and 87% in all Biotin- samples. Purity CO:COLLECTION_SUMMARY was determined by FACS analysis following staining with a streptavidin:PE CO:COLLECTION_SUMMARY conjugate (Southern Biotech). CO:SAMPLE_TYPE Erythrocytes CO:COLLECTION_METHOD venipuncture CO:COLLECTION_LOCATION Described in summary CO:COLLECTION_FREQUENCY Described in summary CO:VOLUMEORAMOUNT_COLLECTED Described in summary CO:STORAGE_CONDITIONS Described in summary #TREATMENT TR:TREATMENT_SUMMARY Biotin labeling was done using a single intravenous injection (100 μl) of TR:TREATMENT_SUMMARY sulfo-NHS-ester biotin suspended in sterile saline at a concentration of 4mg/ml TR:TREATMENT_SUMMARY 28,29. Once labeled, RBC survival was followed at intervals by staining a small TR:TREATMENT_SUMMARY (1-5 μl) blood sample with an avidin-conjugated fluorophore and determining the TR:TREATMENT_SUMMARY fraction of labeled cells remaining by flow cytometry (FACS). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY In each separation, a total of 100 μl of biotin labeled cells was targeted for SP:SAMPLEPREP_SUMMARY purification. Cells were distributed to those analyses requiring viable cells, SP:SAMPLEPREP_SUMMARY with the remaining cells stored at -80°C until used for metabolomics. Mean SP:SAMPLEPREP_SUMMARY purity of all Biotin+ samples was 96.4% and 87% in all Biotin- samples. The SP:SAMPLEPREP_SUMMARY sample preparation process was carried out using the automated MicroLab STAR SP:SAMPLEPREP_SUMMARY system from Hamilton Company. Recovery standards were added prior to the first SP:SAMPLEPREP_SUMMARY step in the extraction process for QC purposes. Sample preparation was conducted SP:SAMPLEPREP_SUMMARY using a proprietary series of organic and aqueous extractions to remove the SP:SAMPLEPREP_SUMMARY protein fraction while allowing maximum recovery of small molecules. The SP:SAMPLEPREP_SUMMARY resulting extract was divided into two fractions; one for analysis by LC and one SP:SAMPLEPREP_SUMMARY for analysis by GC. Samples were placed briefly on a TurboVap to remove the SP:SAMPLEPREP_SUMMARY organic solvent. Each sample was then frozen and dried under vacuum. Samples SP:SAMPLEPREP_SUMMARY were then prepared for the appropriate instrument, either LC/MS or GC/MS. For SP:SAMPLEPREP_SUMMARY QA/QC purposes, a number of additional samples are included with each day’s SP:SAMPLEPREP_SUMMARY analysis. Furthermore, a selection of QC compounds is added to every sample, SP:SAMPLEPREP_SUMMARY including those under test. These compounds are carefully chosen so as not to SP:SAMPLEPREP_SUMMARY interfere with the measurement of the endogenous compounds. These QC samples SP:SAMPLEPREP_SUMMARY includes: 1) large pool of human plasma samples maintained by Metabolon, 2) pool SP:SAMPLEPREP_SUMMARY created from a small specific aliquot from this experiment, 3) aliquot of SP:SAMPLEPREP_SUMMARY ultra-pure water, 4) aliquot of solvents used in the extractions. These QC SP:SAMPLEPREP_SUMMARY samples are primarily used to evaluate the process control for each study as SP:SAMPLEPREP_SUMMARY well as aiding in the data curation. SP:SAMPLEPREP_PROTOCOL_FILENAME TSRI-01-22VW_methods.pdf SP:SAMPLEPREP_PROTOCOL_COMMENTS See protocol file SP:PROCESSING_METHOD See protocol file SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACTION_METHOD See protocol file SP:EXTRACT_ENRICHMENT See protocol file SP:SUBCELLULAR_LOCATION Cytosol #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY The samples destined for analysis by GC-MS were dried under vacuum desiccation CH:CHROMATOGRAPHY_SUMMARY for a minimum of 18 h prior to being derivatized under dried nitrogen. CH:CHROMATOGRAPHY_SUMMARY Derivatized samples were separated on a 5% diphenyl / 95% dimethyl polysiloxane CH:CHROMATOGRAPHY_SUMMARY fused silica PerkinElmer Velocity-5 (30m x 0.25mm x 0.25µm) column with helium CH:CHROMATOGRAPHY_SUMMARY as carrier gas and a temperature ramp from 60° to 340°C in a 16 min period. CH:METHODS_FILENAME TSRI-01-22VW_methods.pdf CH:INSTRUMENT_NAME Thermo-Finnigan Trace DSQ CH:COLUMN_NAME PerkinElmer Velocity-5 (30m x 0.25mm x 0.25um) CH:COLUMN_TEMPERATURE 60 to 340 over a 16 minute period CH:FLOW_GRADIENT - CH:FLOW_RATE - CH:SOLVENT_A - CH:SOLVENT_B - CH:CHROMATOGRAPHY_TYPE GC #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE TSRI-01-22VW_methods.pdf #MS MS:INSTRUMENT_NAME Thermo-Finnigan Trace DSQ MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:MS_COMMENTS The GC column was 5% phenyl and the temperature ramp is from 60° to 340° C in MS:MS_COMMENTS a 16 minute period. MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples TSRI-00057 TSRI-00058 TSRI-00059 TSRI-00060 TSRI-00065 TSRI-00066 TSRI-00067 TSRI-00068 TSRI-00073 TSRI-00074 TSRI-00075 TSRI-00076 TSRI-00081 TSRI-00082 TSRI-00083 TSRI-00084 TSRI-00041 TSRI-00042 TSRI-00043 TSRI-00044 TSRI-00049 TSRI-00050 TSRI-00051 TSRI-00052 TSRI-00053 TSRI-00054 TSRI-00055 TSRI-00056 TSRI-00061 TSRI-00062 TSRI-00063 TSRI-00064 TSRI-00069 TSRI-00070 TSRI-00071 TSRI-00072 TSRI-00077 TSRI-00078 TSRI-00079 TSRI-00080 TSRI-00037 TSRI-00038 TSRI-00039 TSRI-00040 TSRI-00045 TSRI-00046 TSRI-00047 TSRI-00048 Factors Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:PRDX2 | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:15 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:20 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin + | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 Sample source:RBC | GENOTYPE:WT | GROUP_DESC:Biotin - | DAY:8 1-palmitoylglycerol (1-monopalmitin) 23614.2000 29417.4000 34419.6000 25715.7000 61054.3000 44695.7000 23865.5000 17177.7000 21890.3000 13931.6000 19973.1000 23131.8000 18038.1000 36715.3000 19493.6000 35627.1000 28325.6000 23865.5000 27791.9000 15614.7000 26662.7000 36246.4000 21478.0000 21601.6000 10206.2000 2-hydroxyglutarate 11627.0000 15263.0000 15519.0000 12940.0000 19506.0000 20387.4000 18375.4000 22650.6000 21942.0000 16804.1000 16173.0000 28882.6000 59294.7000 38372.1000 29372.9000 63755.2000 19576.0000 24266.5000 26273.9000 14446.0000 23882.0000 15793.0000 22646.0000 17369.0000 54611.0000 17583.5000 62751.0000 62136.0000 2-phosphoglycerate 10725.3000 23303.9000 16981.9000 30213.7000 22450.3000 16622.6000 13727.1000 6721.6000 23126.3000 27277.4000 16529.1000 18132.9000 8627.1000 9927.4000 18480.6000 18721.8000 36520.7000 20590.7000 10907.4000 11795.2000 17680.1000 13871.4000 22783.5000 15765.7000 3-phosphoglycerate 162290.5000 119445.6000 279354.6000 201917.3000 263827.5000 246428.7000 196432.6000 1162107.0000 1589985.9000 1232681.9000 1305128.3000 1107442.1000 767621.0000 1039419.3000 738667.1000 1411071.4000 689960.3000 995482.4000 1185252.4000 352180.8000 442269.9000 597032.8000 1011857.7000 1002044.1000 1412348.1000 814568.1000 1279195.3000 590716.3000 1243175.4000 608844.9000 995875.9000 1122250.9000 1062379.5000 1093427.9000 1073905.0000 1353222.8000 656800.1000 909648.2000 889251.3000 963136.3000 952565.3000 1243103.8000 1129021.8000 337426.4000 1741502.6000 827077.0000 303272.8000 acetylphosphate 441829.0000 431831.3000 460750.2000 559990.4000 537324.4000 604651.8000 518391.6000 645980.6000 648567.6000 702662.5000 362608.3000 369843.0000 656449.3000 445494.0000 555241.4000 560569.6000 484697.1000 343568.7000 537796.6000 548440.9000 397638.1000 684701.4000 558915.9000 499243.3000 552212.8000 424398.3000 408569.3000 567392.3000 562873.5000 503629.5000 500072.7000 384770.7000 472146.6000 557886.7000 526582.4000 339574.3000 423423.3000 454419.0000 654886.9000 413359.6000 372453.1000 500072.7000 497779.9000 416275.2000 473293.1000 558370.1000 642095.4000 459026.1000 adenine 40922.3000 47595.0000 42463.0000 93151.4000 92257.0000 101833.5000 120182.4000 36169.3000 43590.0000 42798.4000 34767.7000 74296.1000 64317.7000 117406.5000 166183.1000 56869.2000 32247.7000 55028.7000 118819.1000 154088.5000 105137.7000 88905.0000 106638.5000 62672.8000 42366.4000 57222.0000 158289.2000 111604.7000 119887.0000 74740.3000 25474.5000 46483.8000 48992.5000 49222.8000 86487.5000 109041.6000 98442.6000 66592.6000 52167.6000 74740.3000 63616.4000 66326.3000 137298.7000 121831.9000 130621.7000 124815.3000 alanine 4277036.5000 8464292.0000 5662705.0000 4788579.0000 7161673.5000 7156481.5000 8464821.0000 7531497.5000 6256221.0000 6227365.0000 3839269.5000 5072917.5000 9586782.0000 7844806.0000 8803802.0000 10635711.0000 4167744.8000 5293144.0000 5875479.0000 6206706.5000 5458123.0000 13396809.0000 9408759.0000 9371817.0000 7435333.0000 6060402.0000 6338486.0000 9022747.0000 9159266.0000 6592822.5000 5417746.0000 8332104.5000 4655533.0000 7670648.5000 5720389.5000 6496807.5000 6012923.5000 10573589.0000 7156481.5000 7529738.0000 3242422.3000 3473578.5000 6208821.5000 6269355.0000 7931194.5000 8309552.0000 9872430.0000 11730498.0000 allantoin 199408.5000 130867.3000 141523.0000 143298.4000 246334.4000 164815.6000 139854.4000 218028.7000 110095.6000 86724.2000 137726.0000 101181.0000 183511.4000 185140.0000 154338.5000 133737.9000 92384.2000 107173.2000 101847.9000 158534.9000 45098.5000 133248.1000 150244.1000 184072.5000 135799.9000 145524.4000 92321.0000 130811.1000 184108.3000 193343.2000 69727.3000 111980.6000 86044.3000 115600.3000 118956.0000 133248.1000 138369.6000 198615.7000 162739.9000 115108.6000 128580.6000 51467.9000 120099.7000 111526.5000 130732.9000 79054.3000 183296.8000 83188.2000 asparagine 85580.4000 63156.2000 78850.5000 69508.2000 112979.9000 69940.6000 47095.8000 93162.8000 78230.4000 45554.1000 158752.6000 124002.4000 191532.6000 76400.2000 13999.2000 80678.8000 86493.2000 259870.0000 111369.8000 91946.1000 82019.7000 75634.6000 139366.2000 87107.3000 85119.6000 133033.3000 97784.2000 59194.0000 80483.8000 114552.5000 65006.0000 81378.3000 93935.5000 129866.7000 84206.9000 67173.1000 76650.2000 48035.8000 114145.9000 168490.9000 124385.8000 165452.9000 aspartate 434088.8000 485717.1000 688584.4000 577062.3000 3337657.5000 5157637.0000 6845515.0000 3003014.5000 399566.8000 167392.5000 377979.8000 266382.2000 4937274.0000 3142297.8000 6854000.5000 5179574.5000 259997.0000 427483.3000 582266.4000 550768.8000 2825271.0000 5814826.0000 6077822.5000 5704903.5000 594744.0000 270483.9000 1129886.0000 470228.9000 2571098.3000 2625954.5000 3171261.8000 4743158.5000 356255.2000 267737.1000 497729.3000 747467.9000 2313055.5000 2803014.3000 3256199.3000 2305009.0000 369974.4000 488830.2000 411246.2000 515718.1000 3614105.0000 2799645.0000 4091366.3000 5839182.0000 benzoate 50288.4000 58377.5000 33434.4000 66844.3000 66987.8000 61042.7000 82853.0000 71493.0000 106878.3000 86610.9000 92288.7000 43691.2000 93585.0000 111944.3000 117480.5000 82641.1000 110672.2000 129815.9000 77622.6000 91803.5000 54520.0000 30484.7000 72068.9000 106176.2000 120199.3000 74228.0000 100448.7000 99655.2000 121836.8000 100827.9000 28047.0000 68279.0000 123197.9000 92688.9000 62070.3000 28140.9000 53528.6000 87533.2000 60915.3000 65876.0000 85566.4000 84102.0000 60158.3000 73315.9000 81017.2000 76893.0000 82961.9000 beta-alanine 25479.9000 23294.8000 45884.1000 60162.1000 38897.5000 14368.6000 24942.1000 12650.8000 270753.8000 167761.7000 99892.4000 138502.8000 21317.8000 10076.9000 18602.1000 31979.7000 61334.8000 15190.1000 16057.6000 68938.0000 11354.0000 39818.1000 27066.8000 9181.8000 30101.3000 38063.1000 14504.9000 43122.8000 8715.3000 19137.0000 16193.1000 63541.1000 52111.3000 43676.6000 33135.9000 cholesterol 11639413.0000 11973224.0000 12298241.0000 11327733.0000 14498162.0000 12411146.0000 12049394.0000 12343288.0000 13568371.0000 11902767.0000 10596740.0000 11694505.0000 13475286.0000 11248840.0000 13752304.0000 11902149.0000 10950709.0000 7883740.0000 9842705.0000 11274080.0000 10472887.0000 9867709.0000 10261474.0000 9500739.0000 13318246.0000 10580789.0000 13477621.0000 15198754.0000 11859901.0000 9750645.0000 8843895.0000 9743109.0000 11841748.0000 11979880.0000 12999520.0000 12070110.0000 9943138.0000 11534474.0000 11703388.0000 8429804.0000 8439372.0000 9065194.0000 11217828.0000 11388792.0000 9128988.0000 8748855.0000 11534474.0000 10128741.0000 citrate 45485.7000 48016.5000 42582.3000 92434.0000 92736.0000 109241.1000 113791.3000 31739.9000 32125.1000 38012.8000 98329.6000 196711.6000 93521.5000 237793.1000 343087.6000 51881.3000 29533.8000 71090.4000 65683.4000 232182.5000 248484.2000 191817.5000 276601.4000 38434.3000 55644.6000 43959.7000 43091.4000 105421.6000 97467.0000 100026.5000 65732.1000 33323.8000 48444.8000 61928.6000 50300.0000 101252.1000 132737.0000 89253.4000 168523.3000 28473.4000 41551.7000 92585.0000 63537.7000 233416.0000 184266.7000 259154.0000 238704.5000 cysteine 9898.9000 19384.8000 16791.0000 28622.1000 41510.1000 33563.3000 18371.7000 43004.9000 43915.9000 33227.5000 70777.9000 14530.1000 8125.2000 13908.9000 24016.8000 24723.0000 45151.2000 cysteinylglycine 66397.0000 272549.2000 215472.0000 194939.9000 384896.4000 406400.8000 261870.0000 292416.9000 206506.3000 170822.5000 208161.9000 187719.9000 491129.4000 378104.8000 479075.5000 285695.8000 172083.9000 171953.3000 193945.6000 184854.2000 409747.0000 271422.6000 454732.0000 342423.3000 217513.5000 201976.9000 224236.3000 299167.7000 338486.2000 222834.0000 171297.8000 245640.3000 231394.6000 247816.6000 191373.4000 244621.3000 245594.1000 257988.7000 196257.9000 231394.6000 151997.2000 89376.6000 183275.9000 51256.3000 358370.4000 82508.8000 371886.9000 359319.2000 erucamide 19232.2000 72024.5000 104662.9000 109780.8000 198860.6000 193068.8000 254626.0000 66730.0000 15669.9000 196784.1000 209840.2000 182666.3000 97596.2000 60311.2000 65038.2000 59219.2000 106958.9000 89914.6000 155334.8000 42736.2000 87510.7000 115068.9000 103609.5000 21055.1000 39974.9000 68684.3000 158965.2000 77577.0000 152416.5000 213853.0000 100945.5000 200666.5000 117411.6000 43089.5000 fumarate 18576.2000 20787.1000 18519.7000 112603.2000 99487.8000 83433.2000 86631.8000 35615.3000 57984.6000 41342.6000 26999.7000 86634.7000 111884.3000 80916.5000 117636.5000 41200.8000 37445.6000 26023.4000 35418.1000 235826.3000 123990.4000 143477.8000 143150.4000 31282.5000 23662.7000 49294.6000 49820.0000 73980.7000 79129.1000 62468.2000 72598.4000 27533.6000 26225.4000 19340.2000 31730.2000 45922.3000 57524.0000 57984.6000 47015.9000 32051.1000 63157.7000 38765.2000 117625.5000 126053.4000 137640.9000 150109.6000 glucose 48252.0000 62491.5000 44386.6000 26187.0000 43475.4000 63296.3000 67621.1000 64479.2000 2204577.0000 7481511.0000 23272250.0000 85025.3000 58171.4000 67778.9000 347181.5000 13930.0000 34147.8000 24350.8000 79361.0000 4718052.0000 2592686.5000 3630811.5000 191507.3000 23442094.0000 9379834.0000 8331757.5000 64270.0000 91100.9000 106710.3000 60324.4000 39250.9000 glucose-6-phosphate (G6P) 18489.0000 16082.2000 33858.5000 211495.3000 223548.9000 345776.2000 501385.6000 54322.5000 65171.1000 156708.8000 121003.3000 247200.9000 880039.5000 1449360.3000 273303.7000 253366.8000 474484.8000 90667.1000 102104.7000 283362.5000 112277.0000 29311.4000 glycerol 3-phosphate (G3P) 245280.6000 362718.3000 254897.5000 194320.7000 229534.6000 482880.3000 352992.2000 155745.3000 312973.6000 326118.6000 250037.4000 329158.5000 520379.0000 337855.4000 373840.7000 312181.6000 588063.0000 331571.4000 499710.2000 441503.4000 1172732.6000 991292.9000 579432.6000 533901.3000 534739.6000 422586.3000 436041.7000 505140.5000 786675.3000 830891.1000 720727.3000 713474.7000 352847.1000 301258.1000 309878.9000 286243.6000 683422.2000 572203.8000 618644.1000 422586.3000 188921.1000 397203.4000 522234.7000 376928.3000 423767.3000 655006.1000 653698.6000 679015.2000 glycine 1463322.4000 2045791.0000 2043712.1000 1260038.4000 4387734.5000 4930107.5000 5010251.0000 3176737.3000 1555682.3000 1031162.1000 1323716.3000 1918326.5000 7033238.0000 4333519.0000 5854083.0000 7417981.0000 1372903.6000 1373877.8000 1987638.4000 1772855.1000 5420440.0000 6141062.0000 6416435.5000 6959705.0000 1628908.8000 1521540.8000 2119423.8000 2619824.0000 3586926.5000 3071953.0000 2854369.0000 4023377.0000 1512163.5000 1606305.8000 2082591.5000 1891150.3000 2854369.0000 4345689.0000 4410275.5000 3450045.0000 1648107.6000 1366904.8000 2036487.3000 1654511.0000 6584060.0000 4800016.5000 6137113.5000 6581020.5000 inositol 1-phosphate (I1P) 91847.3000 60478.0000 122517.5000 82515.8000 92493.8000 65583.4000 68216.9000 60478.0000 32784.0000 74530.6000 65888.3000 60245.3000 42063.0000 20155.6000 84663.2000 57017.9000 65166.3000 40530.6000 51753.9000 38329.5000 79331.1000 49022.1000 45648.9000 45615.2000 78653.2000 72189.2000 169037.3000 99936.3000 76942.0000 66714.5000 43415.6000 26355.4000 98246.0000 49066.7000 38849.8000 30054.4000 47113.9000 43380.8000 46869.5000 48190.8000 43499.5000 65556.9000 62558.2000 58605.8000 48482.1000 60478.0000 77207.9000 lactate 5151688.5000 10852272.0000 6140927.0000 5963275.5000 16235566.0000 19172818.0000 15677407.0000 15028643.0000 16168046.0000 13910055.0000 17304774.0000 16364399.0000 33744556.0000 30072594.0000 28192898.0000 17129506.0000 14167228.0000 16135834.0000 13866235.0000 16256397.0000 24500132.0000 31014380.0000 25780034.0000 30623492.0000 21605266.0000 13331772.0000 15692316.0000 23158540.0000 21604512.0000 15180530.0000 11224166.0000 15790488.0000 12855112.0000 16364399.0000 14538521.0000 15840229.0000 20045320.0000 21116198.0000 19346100.0000 14763882.0000 10485110.0000 15598510.0000 17815534.0000 21612110.0000 23343198.0000 21229106.0000 30263778.0000 35475660.0000 malate 26013.3000 53595.6000 42330.2000 144210.3000 206637.8000 172582.1000 222395.5000 70480.8000 36309.4000 81731.6000 80949.2000 312789.8000 260998.0000 238882.4000 341537.0000 108516.4000 94552.0000 118479.4000 153096.8000 330894.6000 480751.8000 349563.3000 501745.6000 74896.5000 129642.6000 96966.0000 154757.0000 326941.7000 200953.9000 184493.1000 210814.0000 57386.7000 111289.4000 121637.3000 111249.1000 274690.4000 267176.8000 288159.0000 212470.3000 61057.5000 79804.8000 135757.6000 50907.7000 590077.0000 402000.3000 592836.6000 541228.7000 mannose-6-phosphate 25393.0000 11866.0000 14145.9000 32687.9000 50182.8000 98246.6000 5703.9000 3046.4000 20046.3000 36796.0000 4239.1000 32253.0000 29727.6000 32691.7000 41799.4000 115878.6000 153754.9000 59620.8000 58092.8000 65052.8000 14359.9000 31814.3000 75529.4000 26995.9000 15687.1000 23486.4000 methylphosphate 276141.1000 369013.0000 303725.4000 379805.8000 467545.2000 438179.1000 342229.9000 450694.1000 325771.7000 379784.2000 325771.7000 233396.1000 486646.3000 445841.0000 405199.1000 436696.3000 320744.1000 229877.0000 268584.9000 254516.6000 386964.8000 373374.4000 301509.1000 314292.6000 435050.3000 247397.7000 298543.0000 421462.3000 310270.9000 272090.1000 375769.2000 235869.4000 310461.9000 356284.0000 190980.5000 335028.8000 296218.0000 419256.9000 443418.0000 237312.0000 203784.0000 202868.0000 358760.3000 294337.6000 277082.8000 272901.3000 318768.2000 332458.4000 myo-inositol 277771.2000 375109.2000 525095.6000 155757.0000 642715.5000 1035408.1000 878585.6000 284294.5000 190828.5000 251244.5000 212226.4000 619495.4000 798011.5000 114312.2000 621322.3000 1037124.0000 270126.7000 153263.4000 375109.2000 194221.9000 1728423.4000 1885725.8000 359280.5000 774323.4000 279009.3000 291855.5000 150671.3000 191845.6000 477003.0000 494120.0000 300090.9000 362690.2000 366040.9000 138471.2000 265938.4000 231186.7000 628706.4000 566596.6000 413177.0000 387545.3000 201867.1000 128227.5000 432099.0000 323705.7000 1901107.5000 699829.5000 800356.1000 1536766.6000 ornithine 291801.0000 379463.7000 588411.6000 462229.0000 592668.2000 813352.7000 985902.6000 358783.4000 336548.8000 353954.9000 394724.3000 525409.3000 908369.8000 528687.3000 909241.9000 1301465.3000 457548.2000 321899.9000 483589.8000 464880.2000 795665.4000 1209049.6000 676999.3000 1763646.6000 444862.3000 396212.5000 404475.0000 416389.2000 660621.0000 620228.4000 623253.1000 623113.8000 263504.5000 473280.3000 449370.3000 514221.9000 525409.3000 698686.6000 686187.6000 742289.9000 237513.9000 260295.8000 443782.7000 335865.5000 1016808.9000 1032857.7000 1220895.1000 1680874.5000 palmitoyl sphingomyelin 1770612.6000 1549812.3000 1890439.0000 1454303.5000 1860839.3000 1212389.5000 1534757.5000 1432775.8000 1150967.3000 895690.1000 798169.9000 847637.9000 1050281.1000 913741.3000 968988.9000 1223607.9000 1572473.1000 1130289.4000 1328137.3000 1304561.9000 1287182.6000 914112.9000 866558.3000 742371.3000 1482364.9000 1255811.0000 1536787.9000 1658218.8000 1094895.5000 985432.0000 925505.8000 775786.9000 1718435.1000 1268752.8000 1264528.8000 1130289.4000 1129048.9000 1042146.6000 1038926.3000 727995.6000 1072233.6000 867100.4000 1212844.1000 1127966.4000 748505.6000 651036.6000 853823.6000 692297.9000 phosphate 166327056.0000 165702496.0000 198142352.0000 155544464.0000 180762784.0000 168463152.0000 201976352.0000 168463152.0000 175385184.0000 215110240.0000 167028560.0000 162031856.0000 126960600.0000 113291392.0000 174057856.0000 172768928.0000 141859040.0000 105401792.0000 135295040.0000 166442288.0000 256735888.0000 280117632.0000 221038608.0000 199439024.0000 200765504.0000 191635696.0000 145582288.0000 178990928.0000 166621936.0000 208616416.0000 180555184.0000 194607616.0000 173914880.0000 126676456.0000 155524848.0000 159050544.0000 135868816.0000 167595600.0000 165932224.0000 160024528.0000 114981256.0000 110240120.0000 184885696.0000 142066096.0000 190272304.0000 256017472.0000 181737104.0000 186781888.0000 phosphoenolpyruvate (PEP) 52720.8000 57923.9000 27286.0000 26242.5000 68741.3000 23352.5000 99688.7000 119371.1000 162630.2000 103529.6000 117273.1000 85542.6000 131772.0000 158063.9000 192583.9000 81223.4000 111527.5000 133305.7000 73739.5000 127304.0000 67543.1000 119539.8000 151485.9000 163344.2000 173342.0000 208587.7000 102374.2000 154814.7000 91258.5000 138186.6000 136991.8000 112682.8000 146775.2000 86768.8000 161253.6000 50301.3000 56148.4000 57479.3000 46342.7000 121734.3000 145785.9000 50293.6000 54463.0000 230407.2000 146926.9000 68395.7000 phosphoethanolamine 23733.7000 230801.5000 280840.8000 135613.8000 120272.3000 67658.1000 212727.2000 110033.5000 117250.0000 110690.0000 82107.4000 46548.4000 66799.8000 285406.5000 132618.6000 159403.3000 210128.2000 87272.0000 135589.9000 77190.1000 75974.7000 111599.0000 171887.8000 111599.0000 67829.7000 44442.4000 45321.8000 189160.8000 101555.2000 129391.4000 pyrophosphate (PPi) 184736.1000 393556.8000 253338.2000 411866.6000 480359.2000 229675.1000 267168.2000 355832.3000 323568.8000 279536.6000 433206.9000 482559.5000 257637.8000 613016.4000 501319.0000 554391.0000 232855.1000 411866.6000 334460.1000 340501.4000 645704.2000 847409.1000 690512.7000 557328.9000 576872.4000 631797.4000 634619.6000 823498.3000 698500.6000 745034.2000 777191.5000 409161.0000 394493.1000 313996.5000 182003.0000 259759.7000 253881.8000 467581.0000 214330.1000 153088.9000 417132.1000 457199.9000 184203.5000 499470.8000 662805.7000 999155.8000 400125.3000 pyruvate 398469.8000 349482.4000 427276.7000 533319.8000 415454.4000 366435.7000 494881.7000 585254.4000 177374.6000 24794.2000 117934.8000 68700.4000 413436.0000 471076.8000 19661.4000 106587.6000 31411.0000 27092.4000 421294.6000 347000.3000 318285.0000 138667.0000 107380.8000 19941.8000 112257.0000 65327.3000 141652.2000 24806.8000 244062.2000 74357.5000 20011.2000 32517.9000 40316.5000 26611.3000 178645.8000 120920.0000 56319.7000 147971.8000 20043.3000 25886.0000 203255.3000 59973.8000 65797.0000 417010.2000 serine 1777467.4000 2233505.3000 2301485.3000 1419237.3000 3910761.0000 4411453.5000 3920998.0000 2725052.3000 1880425.4000 1609278.6000 1407207.8000 1919052.4000 4784898.5000 2865117.8000 4054090.5000 6065130.0000 2268852.3000 1534465.0000 1980304.8000 1796434.6000 6054016.0000 6899308.5000 3944806.5000 4916473.0000 2497668.3000 1951909.9000 2400672.8000 2528447.0000 3350304.3000 2775849.5000 2922909.3000 2557113.0000 1556935.0000 2155427.3000 2043578.3000 1930970.8000 2528447.0000 3589929.3000 3014634.5000 2192660.5000 1713489.5000 1546412.3000 2189702.8000 2045814.9000 9775274.0000 5330687.0000 7822875.5000 7295844.0000 stearoyl sphingomyelin 474059.4000 396670.5000 563055.1000 460068.5000 867142.4000 569766.8000 638744.0000 627401.6000 237702.3000 39006.0000 181978.2000 183412.7000 323798.1000 365971.5000 445346.0000 200306.1000 503078.4000 460068.5000 454418.3000 532749.6000 787154.2000 531831.9000 576890.4000 588172.1000 271872.3000 182985.1000 340420.2000 480482.0000 492692.4000 493871.6000 397618.9000 623339.4000 445069.2000 272346.6000 288834.0000 354382.1000 598299.1000 514619.8000 611163.1000 349318.5000 271144.9000 150048.5000 414224.8000 301086.0000 630863.1000 256820.6000 726964.1000 579298.8000 threonate 14942.3000 26421.2000 28991.0000 57491.4000 50967.0000 37953.0000 22755.7000 27967.7000 34449.0000 43768.3000 38276.7000 26376.0000 37404.3000 21753.1000 34616.0000 31472.0000 76138.6000 52646.3000 32003.0000 10101.0000 26675.8000 39838.0000 29026.0000 28135.7000 12616.0000 21996.0000 36174.6000 15177.4000 30227.8000 22242.0000 39655.8000 35313.2000 16165.0000 24691.9000 32276.8000 44219.0000 49026.7000 20224.1000 46767.4000 59768.3000 urate 9936.5000 6555.9000 20824.3000 13686.6000 26547.4000 21428.0000 21817.3000 31417.1000 42903.7000 16045.0000 17901.3000 13962.2000 26714.5000 13508.2000 16516.9000 17666.9000 16586.0000 15561.1000 38998.7000 12348.0000 21076.7000 28448.4000 17116.2000 35225.7000 41543.3000 6783.2000 21857.7000 26568.5000 33409.7000 16439.4000 19742.1000 urea 204269.5000 323122.3000 174528.3000 188488.9000 72368.3000 203014.6000 131849.4000 206566.3000 131849.4000 158805.3000 184800.1000 99031.9000 52928.2000 104014.6000 120085.8000 83377.8000 110594.8000 90242.6000 159407.9000 76737.2000 253787.5000 92444.8000 147968.9000 153056.7000 105315.0000 165826.1000 184788.9000 141722.0000 161204.5000 131794.7000 118322.7000 147910.7000 133494.5000 126476.5000 155763.4000 74454.8000 154502.3000 106461.8000 86340.5000 145800.3000 99073.6000 111022.3000 146081.0000 120174.5000 126386.3000 198124.1000 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name pubchem_id inchi_key kegg_id other_id other_id_type ri ri_type moverz_quant 1-palmitoylglycerol (1-monopalmitin) 14900 2119.5 2-hydroxyglutarate 43 C02630 1576 2-phosphoglycerate C00631 1734 3-phosphoglycerate C00597 1756 acetylphosphate 186 C00227 1263 adenine 190 C00147 1804.2 alanine C00041 1147.6 allantoin 204 C02350 1809.8 asparagine C00152 1617.5 aspartate 5960 C00049 1529.7 benzoate 243 C00180 1291.5 beta-alanine C00099 1451.8 cholesterol 6432564 C00187 2316.9 citrate 311 C00158 1763.4 cysteine C00097 1560.1 cysteinylglycine 65270 C01419 1763 erucamide 5365371 2173 fumarate C00122 1382.1 glucose 79025 C00293 1866.8 glucose-6-phosphate (G6P) C00668 2042.7 glycerol 3-phosphate (G3P) 754 C00093 1719.7 glycine C00037 1166 inositol 1-phosphate (I1P) 2057.8 lactate 612 C00186 1102.8 malate 525 C00149 1502 mannose-6-phosphate C00275 2035.9 methylphosphate 13130 1221 myo-inositol C00137 1924.9 ornithine 6262 C00077 1763.8 palmitoyl sphingomyelin 9939941 2524 phosphate 1061 C00009 1307.7 phosphoenolpyruvate (PEP) 1005 C00074 1595.4 phosphoethanolamine C00346 1577.3 pyrophosphate (PPi) 644102 C00013 1642.3 pyruvate 107735 C00022 1130.6 serine C00065 1389.1 stearoyl sphingomyelin 6453725 C00550 2645 threonate 151152 C01620 1560.7 urate C00366 1928 urea C00086 1223.9 METABOLITES_END #END