#METABOLOMICS WORKBENCH njamshidi_20250709_222459 DATATRACK_ID:6151 STUDY_ID:ST004096 ANALYSIS_ID:AN006790 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 Basic extracts CH:METHODS_FILENAME TSRI-01-22VW_methods.pdf CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:COLUMN_TEMPERATURE 40 CH:FLOW_GRADIENT Linear gradient from 0.5 to 70% B over 4.0 minutes, then rapid gradient to 99% B CH:FLOW_GRADIENT in 0.5 minutes. CH:FLOW_RATE 350 microL/min CH:SOLVENT_A 100% water; 6.5mM Ammonium bicarbonate CH:SOLVENT_B 95% methanol/5% water; 6.5mM Ammonium bicarbonate CH:CHROMATOGRAPHY_TYPE Reversed phase #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE TSRI-01-22VW_methods.pdf #MS MS:INSTRUMENT_NAME Thermo-Finnigan LTQ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:MS_COMMENTS Basic MS:ION_MODE NEGATIVE #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 10-heptadecenoate (17:1n7) 150574.1000 149626.7000 147469.1000 112070.7000 145776.4000 131553.9000 179787.7000 110019.7000 156323.7000 130316.9000 136038.1000 135071.8000 221677.8000 151078.4000 176499.4000 148202.6000 132564.7000 111001.5000 123775.9000 132474.5000 136038.1000 98285.0000 94582.2000 159079.3000 129235.5000 145748.7000 136293.7000 149663.6000 149934.6000 116139.0000 136992.4000 129862.5000 143495.5000 113247.5000 122713.3000 140041.4000 128511.2000 157339.2000 126225.0000 142683.6000 124360.1000 122900.7000 126800.6000 158419.6000 168767.9000 184083.4000 149860.1000 126220.5000 13-methylmyristic acid 579262.3000 676105.2000 559013.9000 499546.9000 577269.5000 501688.6000 543025.3000 471801.4000 569784.0000 683963.8000 752518.1000 723272.9000 727631.3000 710656.4000 550886.1000 568739.7000 490983.8000 587314.5000 525573.6000 329822.3000 431119.9000 719783.9000 539379.4000 577269.5000 657571.6000 730146.1000 678300.4000 581575.4000 596715.8000 563425.1000 582865.2000 576473.2000 522922.9000 727931.9000 587500.9000 567446.5000 489324.6000 540200.7000 612570.2000 513363.3000 579300.9000 675019.3000 661435.5000 531153.9000 647403.7000 472771.5000 1-arachidonoylglycerophosphoethanolamine* 50491.3000 80454.4000 63879.7000 46624.9000 132467.7000 144362.9000 161798.5000 148097.1000 59984.2000 44935.7000 73338.0000 57603.8000 192394.0000 172507.2000 193531.3000 125349.3000 60090.3000 58834.2000 46520.4000 64675.0000 110862.6000 201138.2000 119674.3000 123195.0000 72595.3000 80274.8000 64784.0000 54720.8000 116005.7000 135799.8000 78365.7000 101354.6000 61086.6000 69102.7000 72740.5000 90130.2000 112590.8000 114636.3000 113336.1000 106167.4000 53692.7000 60341.0000 59010.1000 60609.6000 141189.9000 102103.6000 146133.2000 260852.5000 1-arachidonoylglycerophosphoinositol* 13640.2000 47398.4000 65778.4000 42209.5000 67024.9000 11523.2000 5436.5000 47261.4000 89999.1000 57114.7000 52738.7000 14074.5000 9513.7000 10044.4000 7292.1000 66281.5000 102085.9000 75456.0000 57348.6000 8431.9000 8758.9000 18429.6000 11042.2000 33185.7000 28936.1000 30703.3000 48192.5000 13235.2000 11436.2000 11786.1000 14035.7000 31983.3000 60880.6000 36805.5000 28914.6000 12958.4000 10535.4000 10604.8000 18861.0000 47922.0000 39041.5000 38601.7000 141979.8000 1-oleoylglycerophosphoethanolamine 49484.0000 49390.8000 63733.0000 35387.6000 98182.7000 98948.6000 84584.9000 73975.5000 55169.1000 31231.4000 45340.9000 55824.3000 129182.3000 114423.2000 130041.0000 98352.4000 44903.9000 54342.3000 34643.7000 43432.6000 76151.5000 93030.0000 96619.8000 67187.9000 73329.5000 67105.5000 76381.0000 58188.5000 71243.5000 75759.7000 54237.5000 77522.0000 75540.5000 39532.7000 58894.6000 75010.5000 90332.1000 107813.9000 73329.5000 81446.2000 66832.8000 48493.7000 42613.4000 65429.3000 91335.8000 60241.7000 85963.0000 112418.0000 1-palmitoylglycerophosphoethanolamine 12631.8000 15668.5000 13243.0000 25347.3000 31474.6000 36311.2000 24392.5000 20969.8000 12957.6000 15806.7000 17034.2000 43424.5000 46611.4000 44440.5000 50245.2000 15137.8000 17271.5000 10760.1000 30776.2000 44400.8000 50377.7000 37407.2000 23383.9000 17638.1000 18251.1000 21563.5000 19743.3000 18128.5000 18917.9000 18728.5000 20988.1000 23092.0000 21215.4000 25747.2000 24518.8000 28676.8000 28832.1000 21181.6000 13968.8000 14141.7000 27271.8000 35104.4000 28507.2000 34655.1000 23675.9000 1-stearoylglycerophosphoethanolamine 25989.9000 14959.5000 14377.8000 26126.8000 39076.5000 21003.9000 27600.1000 17548.6000 18704.3000 17881.9000 57830.7000 32444.0000 34664.9000 52978.9000 20032.3000 25108.5000 30698.0000 48596.7000 35609.9000 50823.0000 29409.5000 33221.5000 19890.1000 31123.3000 20597.1000 13669.9000 27778.4000 22459.1000 5681.6000 31312.5000 31328.0000 32818.3000 33692.9000 26738.2000 28190.6000 18588.2000 28271.0000 34631.6000 28271.0000 21046.0000 32903.4000 42577.2000 1-stearoylglycerophosphoinositol 16365.7000 10290.8000 17706.6000 14927.8000 14153.8000 11613.1000 14516.8000 8993.3000 24501.5000 9695.6000 9707.7000 8499.2000 11118.6000 9239.2000 19741.0000 19171.8000 13798.5000 14522.2000 16074.0000 19942.5000 12164.4000 11796.4000 20911.9000 11173.1000 17510.7000 18861.7000 12315.9000 13419.0000 9772.0000 9715.2000 11716.9000 9914.9000 10460.5000 2_3-diphosphoglycerate 604579.0000 787524.9000 796840.7000 721644.2000 727027.9000 991303.1000 999374.4000 674217.8000 931482.2000 883178.6000 1346350.5000 1320165.5000 1205152.3000 771099.6000 1088928.1000 1866524.8000 1130376.1000 989818.5000 937389.7000 896993.8000 1332525.6000 1226044.0000 1275731.8000 1004546.4000 1218155.5000 1377465.3000 1885075.9000 1704696.5000 1280328.4000 1155411.5000 1662266.6000 1486440.8000 1049097.9000 769595.6000 817657.1000 713305.9000 644367.9000 527625.4000 560341.6000 562821.5000 960662.3000 984096.8000 1062273.1000 842152.9000 843234.0000 1321056.0000 984096.8000 918012.0000 adrenate (22:4n6) 148219.2000 89809.7000 220076.9000 82975.3000 276608.4000 307664.3000 442506.8000 546736.8000 95548.7000 64307.7000 124582.6000 111061.5000 560918.1000 643313.1000 415500.0000 493934.1000 67484.0000 169868.9000 56201.6000 257390.8000 359252.6000 254788.0000 516685.2000 597370.6000 157397.8000 390904.1000 110556.5000 144557.5000 338203.3000 286376.6000 197136.6000 323634.4000 142035.7000 126628.6000 153883.1000 412322.1000 240273.7000 416043.0000 276719.5000 151281.3000 147192.7000 292311.1000 115246.4000 259993.7000 299525.6000 617602.8000 433182.3000 arachidonate (20:4n6) 1110750.5000 1241152.4000 1140780.6000 986213.1000 1503699.8000 1668590.9000 1869867.6000 1056117.1000 762472.8000 822401.3000 942555.4000 1150161.5000 1570563.1000 1835273.9000 2215020.3000 2008917.9000 973839.3000 891293.8000 930856.2000 1235310.8000 1422762.1000 1037146.4000 743082.5000 1710973.0000 1433638.4000 1386540.4000 1285997.9000 1232591.3000 1738434.8000 1161221.6000 1275886.9000 1423579.3000 1389441.5000 1285997.9000 1588365.9000 1827678.0000 1414434.6000 1848404.5000 1673095.3000 1808168.5000 1255984.1000 760750.2000 1315880.6000 1369359.4000 1498743.5000 1161484.0000 1451133.9000 1251120.9000 arginine 77976.9000 84450.2000 55147.1000 54648.5000 193876.2000 218196.8000 171272.1000 109224.3000 41111.3000 33039.6000 42230.4000 39196.1000 195394.6000 114199.8000 140917.4000 131236.7000 106143.1000 80401.8000 49250.4000 97698.8000 260256.8000 267700.7000 171896.4000 228939.4000 44356.2000 61103.4000 56536.2000 31889.3000 114543.7000 95591.6000 107296.8000 109817.5000 68461.8000 57777.1000 85020.7000 51742.9000 85020.7000 172177.9000 121534.0000 93951.8000 34430.4000 35255.4000 50667.9000 29006.2000 153717.2000 77815.9000 55105.5000 132945.9000 caprate (10:0) 70831.3000 105390.2000 71706.3000 56911.5000 76001.8000 76445.1000 68628.6000 65257.6000 73433.9000 61010.0000 60699.7000 87584.6000 103661.5000 86637.3000 90983.4000 78373.6000 82146.5000 63784.8000 79424.5000 74867.2000 66284.8000 71005.3000 69257.2000 87449.6000 82441.9000 47494.6000 97804.9000 81465.5000 86420.0000 90272.2000 76001.8000 67887.9000 76656.3000 88789.3000 77133.7000 64389.8000 71530.8000 61878.3000 72276.1000 66497.9000 61760.5000 83191.4000 76973.3000 95144.2000 72990.8000 76278.2000 83555.7000 93946.7000 caproate (6:0) 19761.3000 40696.8000 44026.4000 18073.8000 17884.2000 20679.0000 14579.8000 17097.8000 12565.1000 14098.4000 20960.8000 31517.3000 36683.7000 16168.2000 24734.8000 20383.7000 19785.0000 11879.9000 23435.6000 24343.1000 14693.3000 45848.5000 11505.0000 14921.4000 42371.2000 13007.8000 23459.6000 24984.5000 18146.6000 15413.5000 14753.6000 16394.6000 16789.0000 20744.0000 17148.3000 18485.1000 16596.8000 18927.4000 11476.6000 15141.6000 8572.1000 12118.2000 18111.9000 13386.8000 13230.7000 17148.3000 14837.5000 14531.3000 caprylate (8:0) 80072.0000 88608.6000 66854.2000 92110.4000 192276.2000 192263.8000 228105.5000 1346702.0000 159590.8000 67845.1000 85848.6000 120642.1000 515660.1000 264869.2000 655357.1000 1767471.0000 153708.4000 97479.3000 208426.7000 147671.8000 151046.0000 640976.8000 398438.0000 249994.7000 194468.5000 155340.7000 211454.2000 184266.4000 751641.2000 119145.2000 139508.6000 135136.0000 76053.6000 163689.8000 109703.0000 339982.0000 101476.7000 128434.2000 95221.5000 99548.4000 75173.6000 76410.8000 104543.7000 112506.0000 147671.8000 106508.4000 285861.7000 343732.0000 cholate 27208.6000 17561.3000 17168.8000 20322.0000 21382.4000 13695.7000 15481.5000 17041.3000 16984.9000 18238.4000 10084.2000 11743.5000 14876.9000 18062.9000 10373.5000 351075.3000 13635.1000 16253.0000 14703.6000 20475.4000 9885.7000 11959.2000 8403.2000 15381.9000 28846.5000 18492.8000 82097.4000 17561.3000 27057.8000 13937.6000 49759.8000 10627.4000 15716.1000 22128.0000 21130.5000 28143.2000 8629.5000 18616.5000 17180.3000 24448.1000 10560.2000 135149.8000 23634.0000 18843.9000 11602.5000 125260.7000 20645.3000 19623.7000 dihomo-linoleate (20:2n6) 28911.0000 35331.9000 26860.6000 18570.2000 129333.4000 120719.5000 189479.7000 158469.1000 23014.0000 26721.2000 22259.9000 263616.3000 198470.3000 205765.7000 124617.5000 34129.8000 40065.6000 34534.6000 29228.7000 107989.7000 147958.8000 138786.4000 150999.4000 40021.8000 30412.3000 21820.9000 23692.7000 116674.1000 93001.9000 80300.4000 100139.3000 13107.0000 17403.9000 28002.6000 75675.1000 187930.1000 88376.6000 107102.7000 30794.6000 29507.3000 30332.9000 33073.3000 159792.2000 160371.4000 170770.0000 211975.2000 dihomo-linolenate (20:3n3 or n6) 95581.5000 44189.9000 60680.3000 58683.2000 131058.1000 170890.2000 237060.8000 132472.0000 96585.4000 99694.6000 100530.6000 114159.0000 228604.3000 222788.2000 264793.8000 153380.4000 46517.3000 51305.6000 48524.6000 64111.3000 102513.0000 136479.3000 84952.5000 162132.7000 115726.0000 91369.6000 99430.1000 75450.5000 179301.4000 126638.4000 113587.3000 110837.5000 111448.5000 121705.2000 122918.0000 142883.3000 78289.3000 126111.6000 110098.5000 160028.2000 107413.1000 88214.7000 61540.1000 114873.1000 145163.3000 122035.6000 153214.3000 152794.1000 dihydroxyacetone phosphate (DHAP) 142314.0000 121198.8000 281712.4000 17020.8000 91366.2000 117823.1000 241143.5000 85649.2000 11414.2000 121382.8000 85985.2000 35135.8000 6941.0000 180732.6000 174209.1000 236198.1000 198142.7000 133734.4000 46414.7000 82172.8000 120209.7000 187813.6000 120796.2000 92140.0000 103457.3000 docosahexaenoate (DHA; 22:6n3) 127017.1000 130027.9000 108445.0000 102661.8000 287954.7000 318056.4000 402343.1000 200360.2000 80900.4000 93850.4000 97511.2000 69407.2000 376805.6000 378718.3000 463604.9000 470686.4000 92202.9000 103350.8000 108581.3000 122955.1000 355293.7000 268441.4000 228473.3000 368619.5000 143894.8000 106484.6000 114497.4000 124614.2000 335693.0000 226820.5000 180106.0000 239998.0000 109005.6000 110103.2000 114300.8000 119232.3000 211354.4000 330135.6000 254967.8000 283590.1000 134579.4000 107607.2000 116825.8000 169038.0000 409203.4000 326762.9000 425900.9000 309802.5000 docosapentaenoate (n3 DPA; 22:5n3) 90678.7000 46982.6000 39567.2000 43869.0000 138669.1000 139074.8000 134259.2000 90022.9000 56149.4000 58589.7000 62297.1000 70304.8000 191836.7000 190634.9000 201201.5000 126577.0000 84218.8000 74490.2000 37557.0000 35517.9000 162512.5000 62297.1000 70743.3000 91439.3000 50146.9000 47781.8000 55722.9000 62012.1000 127950.9000 50518.0000 66432.7000 50436.9000 56673.2000 36928.2000 50510.4000 39459.8000 60370.1000 139963.1000 75865.7000 73830.1000 33008.9000 40446.9000 46352.2000 181981.0000 113235.3000 92424.7000 eicosenoate (20:1n9 or 11) 28239.1000 23779.7000 25596.3000 22113.6000 58799.9000 54646.2000 145375.7000 174425.9000 19134.1000 22692.2000 12743.2000 29539.4000 267547.8000 155445.0000 166224.5000 83589.9000 21798.4000 29661.1000 33872.2000 57176.5000 91621.4000 110913.0000 89640.3000 20581.0000 10110.1000 25702.2000 19785.1000 61871.1000 56922.4000 43261.4000 55503.5000 16107.6000 13866.8000 11895.7000 18200.6000 31876.6000 117451.3000 61988.6000 100853.3000 26528.8000 21162.1000 25292.3000 32949.5000 90102.7000 77856.0000 71444.7000 173136.5000 hippurate 10527.3000 8982.9000 6132.6000 8872.8000 6649.6000 4730.1000 5236.4000 8312.0000 8338.6000 7507.4000 13937.3000 7169.9000 13362.7000 15370.7000 14032.1000 7055.7000 11696.4000 16002.2000 5841.5000 10554.3000 5345.7000 6615.4000 8318.1000 9560.0000 13334.6000 8763.4000 10555.4000 14721.1000 7997.9000 9866.0000 7679.0000 9945.0000 13564.3000 10008.9000 9202.5000 histidine 21481.7000 19204.9000 25661.9000 20972.7000 37150.2000 42787.8000 34717.9000 35910.8000 30905.2000 33782.9000 27870.5000 35405.1000 55681.6000 57900.1000 42618.5000 62429.3000 36287.0000 19856.2000 41966.5000 29732.8000 43426.1000 29322.4000 34347.9000 38090.2000 37121.4000 38307.9000 33212.7000 37795.3000 32845.4000 30167.4000 23646.3000 21249.5000 20717.9000 35663.7000 46062.4000 34410.1000 18320.6000 49216.6000 35663.7000 28715.4000 38264.1000 41073.9000 52356.2000 36842.7000 36111.9000 27194.4000 55499.2000 41845.6000 hypoxanthine 10759.2000 60487.8000 14707.4000 14858.0000 33730.3000 43111.8000 47814.7000 53224.9000 27415.6000 16327.6000 18311.5000 9642.5000 47604.2000 35883.9000 27486.0000 39366.3000 32984.7000 34755.6000 50455.2000 27682.0000 42205.2000 25790.0000 27382.0000 16686.6000 19753.2000 22637.7000 34880.0000 34048.7000 23967.4000 24589.7000 38740.8000 32102.4000 46636.9000 45305.7000 37664.8000 41825.7000 50527.9000 47080.6000 34181.4000 45797.0000 49093.8000 17832.5000 31143.9000 45158.1000 46064.5000 34880.0000 39754.6000 40762.8000 inosine 5130.1000 3869.8000 4010.4000 9154.6000 7654.9000 9220.6000 12590.1000 6281.2000 6090.5000 8910.1000 12224.8000 7440.9000 10934.7000 19245.3000 7458.4000 7654.9000 8201.1000 5270.7000 5198.5000 4687.7000 Isobar: 2-propylpentanoic acid_ 2-ethylhexanoic acid 33686.6000 38528.6000 29103.9000 34977.8000 38801.3000 44721.1000 38519.5000 43003.9000 31599.7000 23832.7000 33840.4000 34551.6000 32998.4000 31285.5000 46895.8000 46912.8000 31262.0000 37773.3000 33945.7000 37644.0000 37057.0000 49975.9000 39800.5000 43655.0000 42936.5000 37991.0000 33898.8000 43423.9000 38284.5000 38265.2000 28990.7000 44995.5000 28572.6000 39694.1000 41462.1000 31077.6000 34977.8000 24078.1000 27035.2000 26811.9000 34096.9000 34697.4000 32616.4000 40862.0000 34635.3000 37126.2000 32178.4000 37735.6000 Isobar: fructose 1_6-diphosphate_ glucose 1_6-diphosphate 42005.4000 36897.2000 34552.1000 36883.2000 52052.1000 61537.0000 47438.8000 40718.2000 43147.4000 133856.0000 66810.8000 230787.9000 87602.9000 63484.8000 65653.8000 74873.8000 169753.9000 45289.2000 67908.1000 148979.8000 40747.2000 45213.7000 47403.2000 61849.7000 49700.5000 251187.5000 53999.4000 76740.7000 61849.7000 70990.4000 43456.8000 51690.0000 219900.9000 345853.7000 262645.5000 101810.4000 163800.2000 35514.1000 39831.6000 46992.6000 46985.1000 147074.5000 238539.4000 67912.4000 38153.1000 77985.2000 61327.7000 36191.4000 laurate (12:0) 385461.7000 358476.6000 347533.2000 402850.4000 487771.9000 437010.0000 401683.9000 331748.4000 401683.9000 350214.1000 467029.9000 447878.9000 579505.4000 513865.5000 550068.4000 505033.6000 429828.2000 421251.6000 506377.9000 379812.3000 381517.1000 313853.3000 308580.8000 414807.6000 353138.6000 431496.8000 519063.4000 533911.6000 408232.6000 354265.5000 353500.0000 437590.6000 375796.5000 431658.5000 380833.9000 400251.9000 385574.2000 393685.2000 349939.3000 357793.3000 445333.7000 482083.5000 467862.4000 494094.1000 474949.0000 325970.3000 399150.1000 372297.2000 linoleate (18:2n6) 723823.3000 860040.1000 748999.6000 718426.9000 1038608.3000 1199153.0000 2168397.8000 1271776.8000 802701.3000 663340.9000 874571.1000 703573.9000 4256914.0000 1743559.6000 1902446.4000 2295010.0000 666160.6000 645422.7000 798381.9000 649093.9000 1016234.5000 952437.4000 918208.8000 1147622.5000 907987.3000 690321.1000 860148.3000 748515.0000 1066325.9000 745311.0000 800788.6000 788477.9000 929709.5000 763151.3000 874530.8000 1094249.3000 841895.9000 2229811.0000 1233561.0000 1591904.1000 926430.0000 724651.1000 877203.4000 1111960.3000 1248113.8000 889686.8000 1131106.1000 1485850.5000 methyl palmitate (15 or 2) 421651.1000 293937.5000 446886.0000 421979.4000 470063.4000 381957.5000 379054.0000 407102.6000 321786.8000 156394.0000 468972.3000 415470.7000 386596.8000 440496.5000 468629.0000 424899.6000 511513.2000 466399.8000 343788.3000 395469.1000 130307.3000 341999.4000 388438.8000 393518.7000 432710.9000 463296.6000 373764.1000 493707.0000 459456.1000 404544.0000 374276.9000 415656.4000 278130.8000 434079.7000 430717.0000 503372.5000 376933.0000 471775.4000 396780.6000 395825.3000 385586.9000 394476.8000 434029.4000 409860.6000 415470.7000 444154.2000 426700.0000 457653.6000 myristate (14:0) 1738491.1000 1763624.9000 1610858.6000 1645416.3000 1863042.3000 1846770.9000 1781453.8000 1656807.3000 1651556.4000 1521785.1000 1925233.1000 1717174.9000 2055607.6000 1888641.9000 2025666.6000 1940501.0000 1823580.0000 1773658.3000 1738491.1000 1666504.6000 1669414.1000 1208026.1000 1438119.6000 1864851.5000 1723039.0000 1814571.1000 1892355.8000 2104701.5000 1910687.9000 1666901.8000 1630551.1000 1759317.9000 1703113.0000 1873268.9000 1741135.1000 1879511.8000 1835613.6000 1722043.0000 1723525.3000 1624661.4000 1664587.8000 1735640.6000 1692979.1000 2046148.1000 1767807.9000 1513950.4000 1812770.1000 1725382.8000 myristoleate (14:1n5) 50269.4000 53437.2000 31634.0000 67857.3000 57533.9000 70819.1000 55823.3000 37578.6000 47126.9000 46227.5000 48455.2000 64489.9000 81656.4000 83622.9000 59365.8000 55998.3000 44399.0000 69861.0000 57192.2000 54565.6000 56678.5000 28612.0000 33906.6000 42456.8000 42163.3000 44772.1000 53736.1000 74095.4000 53014.8000 44018.5000 58838.0000 54017.3000 65128.4000 50110.8000 47806.3000 43377.7000 46031.9000 54529.3000 52480.5000 54141.9000 56410.5000 52459.9000 47335.9000 53437.2000 74427.5000 61919.6000 46182.9000 32908.0000 nonadecanoate (19:0) 27924.0000 36490.2000 33908.1000 32547.2000 30472.2000 28332.6000 45596.7000 41429.5000 26628.0000 31292.8000 37461.5000 45484.4000 33771.2000 47512.8000 47030.3000 31775.5000 37475.7000 22138.7000 28881.8000 26626.7000 50964.0000 30197.9000 32225.9000 33410.3000 28496.6000 25141.1000 18935.4000 30650.1000 26306.7000 30091.7000 33885.3000 30060.9000 30904.0000 39308.3000 26950.8000 35406.0000 37723.4000 27149.6000 48428.7000 21864.3000 20036.9000 30226.2000 31325.1000 30188.1000 36455.5000 50125.9000 40543.1000 oleate (18:1n9) 2201014.0000 2252718.3000 1952791.6000 1747170.9000 3479205.0000 3111074.0000 5402915.5000 4242604.0000 1915887.4000 1643655.6000 2136761.8000 1771847.0000 8920403.0000 4918754.5000 5145061.0000 3968577.5000 1983119.4000 2178690.5000 1865029.6000 1925467.4000 3107574.3000 3216146.3000 3281910.5000 3532916.3000 2278689.5000 1839477.6000 1623682.9000 1751107.3000 3089038.5000 2497361.3000 2370601.5000 2598303.0000 2057896.0000 2042339.1000 1993818.3000 2192697.5000 2370601.5000 5671370.0000 3069487.8000 4293935.0000 2206904.8000 1952656.8000 1865785.4000 2164586.8000 3918216.0000 2849476.5000 3293852.8000 5167505.5000 palmitate (16:0) 11009891.0000 10762564.0000 10130808.0000 9871374.0000 11680877.0000 11186393.0000 12544470.0000 11280011.0000 10532876.0000 9523417.0000 10802740.0000 9421863.0000 15456312.0000 12582419.0000 11366338.0000 11946215.0000 11463529.0000 10614504.0000 9031526.0000 8680243.0000 10927046.0000 10483113.0000 11298898.0000 10596540.0000 10641271.0000 9845476.0000 10683349.0000 11012086.0000 10249930.0000 9197230.0000 9076202.0000 9348600.0000 12260366.0000 9980704.0000 9067905.0000 10881640.0000 9415309.0000 11374095.0000 10529051.0000 10040123.0000 9673371.0000 9347872.0000 10614504.0000 11551033.0000 11361623.0000 9144173.0000 10329545.0000 11164518.0000 pelargonate (9:0) 120739.2000 138481.3000 120676.1000 124178.2000 144274.8000 143145.0000 153074.7000 169082.8000 114732.1000 109363.9000 135755.8000 137182.5000 182822.3000 157418.1000 185078.9000 161506.9000 172954.0000 129579.5000 157613.4000 141570.3000 124373.6000 140215.6000 116371.6000 164061.0000 179510.3000 165402.9000 185052.3000 179737.6000 182365.1000 138330.9000 119467.7000 139678.5000 109903.4000 173428.6000 130773.9000 137104.9000 132155.7000 113688.3000 127537.9000 120122.1000 119839.3000 159797.6000 139544.8000 171300.0000 141570.3000 151146.0000 144357.2000 169336.3000 pentadecanoate (15:0) 856798.6000 762329.6000 819954.8000 814791.1000 880957.5000 620367.1000 864333.5000 775942.8000 840836.4000 680042.0000 867780.0000 777392.5000 739219.9000 828817.4000 1067064.9000 807179.4000 779985.5000 729186.6000 722274.3000 670951.9000 637508.6000 725839.8000 828973.8000 887252.2000 950900.8000 876165.8000 802008.6000 751518.6000 688265.1000 757051.9000 941815.1000 836559.2000 771692.9000 813934.2000 699907.9000 760061.6000 777392.5000 733657.5000 632285.3000 772202.3000 792076.8000 970840.9000 724709.6000 836191.7000 717896.0000 807539.3000 phenylacetylglycine 13872.6000 4792.8000 7254.9000 13453.3000 4882.6000 5428.3000 9307.4000 4750.1000 6138.8000 5945.0000 7538.9000 6916.2000 12019.3000 9430.0000 6984.4000 13508.2000 7305.4000 18025.0000 6733.1000 19635.8000 5547.5000 14713.3000 5785.2000 4836.5000 8432.0000 8502.2000 9004.1000 4304.3000 7123.6000 7376.0000 5323.1000 5743.5000 6713.9000 5263.6000 succinate 13696.4000 9910.7000 15052.7000 15172.6000 47709.2000 41451.7000 46121.0000 51480.5000 14004.4000 11875.6000 46923.9000 36820.3000 63085.8000 100356.3000 11247.5000 11485.6000 16179.6000 31670.6000 46989.1000 44554.1000 58702.7000 58242.4000 24878.3000 16608.6000 10939.6000 16479.9000 38297.5000 26138.4000 22703.9000 24059.9000 5027.3000 21268.5000 15681.7000 13186.3000 30822.1000 33089.3000 29598.8000 8092.8000 10371.1000 25696.8000 21127.8000 80077.4000 32968.8000 60278.1000 61544.3000 undecanoate (11:0) 12024.5000 21470.2000 15309.5000 16282.5000 20162.8000 26717.5000 18342.5000 22276.2000 17689.8000 17379.7000 16490.5000 29006.8000 15807.6000 16709.9000 21860.5000 20721.0000 26972.0000 17092.2000 19588.0000 19247.1000 16819.8000 22112.6000 19955.2000 17702.4000 14229.7000 31214.0000 22728.3000 23618.0000 23074.6000 19763.0000 21209.3000 17115.6000 25760.9000 23577.5000 15600.0000 18794.1000 19132.3000 15048.2000 16802.9000 19149.0000 19306.5000 14307.4000 23273.5000 22465.7000 18217.4000 17608.4000 22411.6000 uridine 4780.2000 51455.4000 36036.2000 18173.4000 58930.1000 28060.7000 41687.7000 34409.2000 53285.6000 15746.5000 25326.4000 15305.0000 6079.0000 7553.6000 64059.1000 5825.8000 21712.2000 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 10-heptadecenoate (17:1n7) 5312435 5558 13-methylmyristic acid 151014 5498 1-arachidonoylglycerophosphoethanolamine* 5731 1-arachidonoylglycerophosphoinositol* 5479 1-oleoylglycerophosphoethanolamine 9547071 5928 1-palmitoylglycerophosphoethanolamine 9547069 5940 1-stearoylglycerophosphoethanolamine 9547068 6200 1-stearoylglycerophosphoinositol 5800 2,3-diphosphoglycerate 186004 C01159 580 adrenate (22:4n6) 5282844 C16527 5684 arachidonate (20:4n6) 444899 C00219 5525 arginine C00062 728 caprate (10:0) 2969 C01571 5092 caproate (6:0) 8892 C01585 2766 caprylate (8:0) 379 C06423 4367 cholate C00695 5148 dihomo-linoleate (20:2n6) 6439848 C16525 5722 dihomo-linolenate (20:3n3 or n6) 5312529 C03242 5600 dihydroxyacetone phosphate (DHAP) 4643300 C00111 611 docosahexaenoate (DHA; 22:6n3) 445580 C06429 5518 docosapentaenoate (n3 DPA; 22:5n3) C16513 5574 eicosenoate (20:1n9 or 11) 5955 hippurate 464 C01586 2136 histidine C00135 757 hypoxanthine 790 C00262 1313 inosine 1630 Isobar: 2-propylpentanoic acid, 2-ethylhexanoic acid 3909 Isobar: fructose 1,6-diphosphate, glucose 1,6-diphosphate 572 laurate (12:0) 3893 C02679 5288 linoleate (18:2n6) 5280450 C01595 5533 methyl palmitate (15 or 2) 5698 myristate (14:0) 11005 C06424 5439 myristoleate (14:1n5) 5281119 C08322 5338 nonadecanoate (19:0) 12591 C16535 6073 oleate (18:1n9) 445639 C00712 5660 palmitate (16:0) 985 C00249 5619 pelargonate (9:0) 5461016 C01601 4847 pentadecanoate (15:0) 13849 C16537 5522 phenylacetylglycine 68144 C05598 2377 succinate 1110 C00042 618 undecanoate (11:0) 8180 5207 uridine 6029 C00299 1467 METABOLITES_END #END