#METABOLOMICS WORKBENCH sgbevers_20240614_084004 DATATRACK_ID:4921 STUDY_ID:ST003323 ANALYSIS_ID:AN005439 PROJECT_ID:PR002067 VERSION 1 CREATED_ON June 18, 2024, 6:02 pm #PROJECT PR:PROJECT_TITLE Trained immunity in hematopoietic stem cell-derived macrophages is defined by a PR:PROJECT_TITLE distinct metabolic and epigenetic state PR:PROJECT_SUMMARY In the present study, we investigate the contribution of long-term hematopoietic PR:PROJECT_SUMMARY stem cells (HSCLT) to trained immunity (TI) in the setting of chronic autoimmune PR:PROJECT_SUMMARY disease. Using a mouse model of systemic lupus erythematosus (SLE), we show that PR:PROJECT_SUMMARY bone marrow derived macrophages (BMDMs) from autoimmune mice exhibit hallmark PR:PROJECT_SUMMARY features of TI, including increased Mycobacterium avium killing and inflammatory PR:PROJECT_SUMMARY cytokine production. Furthermore, these functional properties are PR:PROJECT_SUMMARY mechanistically linked to increased glycolytic metabolism in BMDMs from primary PR:PROJECT_SUMMARY autoimmune mice. While we find that HSC from autoimmune mice constitute a PR:PROJECT_SUMMARY transplantable, long-term reservoir for macrophages that exhibit the functional PR:PROJECT_SUMMARY properties of TI, these BMDMs exhibit a distinctive metabolic state typified by PR:PROJECT_SUMMARY attenuated glycolytic activity. Furthermore, and in contrast to BMDMs from PR:PROJECT_SUMMARY primary autoimmune mice, BMDMs and myeloid progenitors derived from autoimmune PR:PROJECT_SUMMARY donor HSC exhibit a unique pattern of molecular remodeling characterized by PR:PROJECT_SUMMARY reduced chromatin accessibility at a broad array of metabolic genes, while PR:PROJECT_SUMMARY retaining elevated expression of TI-associated transcriptional regulators such PR:PROJECT_SUMMARY as Jun and Fos. Taken together, our data show that HSC exposed to autoimmune PR:PROJECT_SUMMARY inflammation gives rise to macrophages in which the hallmark functional PR:PROJECT_SUMMARY properties of TI are decoupled from glycolytic metabolism. Altogether, our data PR:PROJECT_SUMMARY support a model in which TI is characterized by a spectrum of distinct molecular PR:PROJECT_SUMMARY and metabolic states capable of driving augmented immune function. PR:INSTITUTE University of Colorado Anschutz Medical Campus PR:LAST_NAME Bevers PR:FIRST_NAME Shaun PR:ADDRESS 12801 E 17th Ave Bldg. RC-1S Rm L2400 Aurora CO 80045 PR:EMAIL shaun.bevers@cuanschutz.edu PR:PHONE 970-217-3413 #STUDY ST:STUDY_TITLE Global Metabolomics and U-13C6-Glucose Tracing in Bone Marrow Derived ST:STUDY_TITLE Macrophages (BMDM) ST:STUDY_SUMMARY We evaluated alterations in cellular metabolism via comprehensive metabolic ST:STUDY_SUMMARY profiling of BMDMs derived from control and trained HSCLT. Thus, we performed ST:STUDY_SUMMARY ultra-high-performance mass spectrometry (UHPLC-MS) analysis of control and ST:STUDY_SUMMARY trained donor HSCLT-derived BMDMs following 6hr IC stimulation. We identified ST:STUDY_SUMMARY 206 metabolites, of which 88 were differentially abundant in control vs. trained ST:STUDY_SUMMARY BMDMs. Notably, we observed reductions in global metabolite abundance across ST:STUDY_SUMMARY multiple pathways in trained HSCLT-derived BMDMs including multiple amino acid, ST:STUDY_SUMMARY nucleotide, glutathione, and fatty acid synthesis pathways among others. In ST:STUDY_SUMMARY agreement with our Seahorse data, BMDMs from trained HSCLT exhibited a reduction ST:STUDY_SUMMARY in the abundance of metabolites in and downstream of the glycolysis pathway ST:STUDY_SUMMARY following IC stimulation, compared to BMDMs from control donor HSCLT. This ST:STUDY_SUMMARY phenotype was particularly evident in pathways constituting central carbon ST:STUDY_SUMMARY metabolism, including glycolysis itself (green), the pentose phosphate pathway ST:STUDY_SUMMARY (red), the tricarboxylic acid cycle (TCA, blue), as well as alternative carbon ST:STUDY_SUMMARY metabolites (grey). Furthermore, we observed significant reductions in products ST:STUDY_SUMMARY of central carbon metabolism, including levels of ATP, AMP (gold), and amino ST:STUDY_SUMMARY acids (grey) as well as fatty acids, pentose phosphates and lactate. Along these ST:STUDY_SUMMARY lines, even in the absence of IC stimulation there were significant reductions ST:STUDY_SUMMARY in metabolites associated with several pathways, primarily amino acid ST:STUDY_SUMMARY metabolism, nucleotide metabolism, and fatty acid metabolism (42 metabolites ST:STUDY_SUMMARY total). Given the significant reduction in glycolytic metabolites and their ST:STUDY_SUMMARY downstream products in IC-stimulated BMDMs derived from trained HSCLT, we also ST:STUDY_SUMMARY measured changes in glucose fate by culturing the BMDMs for 24h in media ST:STUDY_SUMMARY containing U-13C-glucose. 6hr prior to harvest, we stimulated them with IC. This ST:STUDY_SUMMARY approach facilitates analysis of IC-induced glycolytic activity levels and ST:STUDY_SUMMARY details changes in glucose fate based on isotopic labeling of downstream ST:STUDY_SUMMARY metabolites with 13C, while also providing information on global (13C labeled + ST:STUDY_SUMMARY unlabeled) metabolite levels. Consistent with our global metabolic analysis and ST:STUDY_SUMMARY Seahorse assays above, we noted reduced global metabolite levels as well as ST:STUDY_SUMMARY broad reductions in overall 13C peak areas in multiple metabolic pathways ST:STUDY_SUMMARY downstream of glucose, including lower glycolysis (lactate production), the ST:STUDY_SUMMARY pentose phosphate pathway, TCA cycle and TCA cycle-derived amino acids, based on ST:STUDY_SUMMARY measurement of the peak area of 13C labeled isotope species (M+#). To further ST:STUDY_SUMMARY evaluate potential shifts in glucose utilization we also expressed the data as a ST:STUDY_SUMMARY proportion of M+x# 13C labeled plus M+0 unlabeled metabolite isotopologues. Of ST:STUDY_SUMMARY note, in trained HSCLT donor-derived BMDMs we identified a slight though ST:STUDY_SUMMARY significant increase in the proportion of M+6 13C labeling in upper glycolysis ST:STUDY_SUMMARY (hexose phosphate), which culminated in preferential entry into the pentose ST:STUDY_SUMMARY phosphate pathway (based on increased though non-significant proportions of M+6 ST:STUDY_SUMMARY 13C labeled phospho-gluconate, M+7 13C labeled sedoheptulose 1/7-p) and M+5 ST:STUDY_SUMMARY labeled pentose phosphates, likely indicative of 13C label cycling through the ST:STUDY_SUMMARY non-oxidative PPP. On the other hand, BMDMs from trained donor HSCLT exhibited a ST:STUDY_SUMMARY trending reduction in the proportion of 13C labeling of lactate and a ST:STUDY_SUMMARY significant reduction in the proportion of 13C labeling in the TCA cycle ST:STUDY_SUMMARY indicative of reduced glucose oxidation through central carbon metabolic ST:STUDY_SUMMARY pathways downstream of pyruvate. Furthermore, we observed reduced 13C labeling ST:STUDY_SUMMARY in key amino acids derived from central carbon metabolism including alanine and ST:STUDY_SUMMARY glutamate (purple), reflecting reduced contribution of glucose to amino acid ST:STUDY_SUMMARY synthesis and consistent with reduced global levels of these metabolites (Fig. ST:STUDY_SUMMARY 6D). As these data could be consistent with increased glucose entry into fatty ST:STUDY_SUMMARY acid synthesis pathways, we measured 13C label accumulation into palmitate but ST:STUDY_SUMMARY did not identify significant changes in 13C labeling. Taken together, these data ST:STUDY_SUMMARY are consistent with broad metabolic remodeling of IC-stimulated BMDMs derived ST:STUDY_SUMMARY from trained HSCLT, characterized by smaller metabolite pools and preferential ST:STUDY_SUMMARY routing of glucose into the PPP, with concomitant reduction of glucose entry ST:STUDY_SUMMARY into the TCA cycle. ST:INSTITUTE University of Colorado Anschutz Medical Campus ST:LAST_NAME Bevers ST:FIRST_NAME Shaun ST:ADDRESS 12801 E 17th Ave Bldg. RC-1S Rm L2400 Aurora CO 80045 ST:EMAIL shaun.bevers@cuanschutz.edu ST:PHONE 970-217-3413 #SUBJECT SU:SUBJECT_TYPE Cultured cells SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 1_prim-Ctrl-1 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=1_prim-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 2_prim-Ctrl-2 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=2_prim-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 3_prim-Ctrl-3 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=3_prim-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 4_prim-Ctrl-4 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=4_prim-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 5_prim-Ctrl-5 Sample source:Primary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=5_prim-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 6_prim-pIC-1 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=6_prim-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 7_prim-pIC-2 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=7_prim-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 8_prim-pIC-3 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=8_prim-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 9_prim-pIC-4 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=9_prim-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 10_prim-pIC-5 Sample source:Primary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=10_prim-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 11_prim-Lup-1 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=11_prim-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 12_prim-Lup-2 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=12_prim-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 13_prim-Lup-3 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=13_prim-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 14_prim-Lup-4 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=14_prim-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 15_prim-Lup-5 Sample source:Primary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=15_prim-Lup-5.mzxml SUBJECT_SAMPLE_FACTORS - 16_sec-Ctrl-1 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=16_sec-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 17_sec-Ctrl-2 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=17_sec-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 18_sec-Ctrl-3 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=18_sec-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 19_sec-Ctrl-4 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=19_sec-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 20_sec-Ctrl-5 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=20_sec-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 21_sec-pIC-1 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=21_sec-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 22_sec-pIC-2 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=22_sec-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 23_sec-pIC-3 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=23_sec-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 24_sec-pIC-4 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=24_sec-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 25_sec-pIC-5 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=25_sec-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 26_sec-Lup-1 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=26_sec-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 27_sec-Lup-2 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=27_sec-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 28_sec-Lup-3 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=28_sec-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 29_sec-Lup-4 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=29_sec-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 30_sec-Lup-5 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=30_sec-Lup-5.mzxml SUBJECT_SAMPLE_FACTORS - 31_sec-C13-6H-Ctrl-1 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=31_sec-C13-6H-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 32_sec-C13-6H-Ctrl-2 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=32_sec-C13-6H-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 33_sec-C13-6H-Ctrl-3 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=33_sec-C13-6H-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 34_sec-C13-6H-Ctrl-4 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=34_sec-C13-6H-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 35_sec-C13-6H-Ctrl-5 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=35_sec-C13-6H-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 36_sec-C13-6H-pIC-1 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=36_sec-C13-6H-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 37_sec-C13-6H-pIC-2 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=37_sec-C13-6H-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 38_sec-C13-6H-pIC-3 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=38_sec-C13-6H-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 39_sec-C13-6H-pIC-4 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=39_sec-C13-6H-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 40_sec-C13-6H-pIC-5 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=40_sec-C13-6H-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 41_sec-C13-6H-Lup-1 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=41_sec-C13-6H-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 42_sec-C13-6H-Lup-2 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=42_sec-C13-6H-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 43_sec-C13-6H-Lup-3 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=43_sec-C13-6H-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 44_sec-C13-6H-Lup-4 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=44_sec-C13-6H-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 45_sec-C13-6H-Lup-5 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=45_sec-C13-6H-Lup-5.mzxml SUBJECT_SAMPLE_FACTORS - 46_sec-C13-24H-Ctrl-1 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=46_sec-C13-24H-Ctrl-1.mzxml SUBJECT_SAMPLE_FACTORS - 47_sec-C13-24H-Ctrl-2 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=47_sec-C13-24H-Ctrl-2.mzxml SUBJECT_SAMPLE_FACTORS - 48_sec-C13-24H-Ctrl-3 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=48_sec-C13-24H-Ctrl-3.mzxml SUBJECT_SAMPLE_FACTORS - 49_sec-C13-24H-Ctrl-4 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=49_sec-C13-24H-Ctrl-4.mzxml SUBJECT_SAMPLE_FACTORS - 50_sec-C13-24H-Ctrl-5 Sample source:Secondary Cell | Treatment:Control RAW_FILE_NAME(Raw File Name)=50_sec-C13-24H-Ctrl-5.mzxml SUBJECT_SAMPLE_FACTORS - 51_sec-C13-24H-pIC-1 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=51_sec-C13-24H-pIC-1.mzxml SUBJECT_SAMPLE_FACTORS - 52_sec-C13-24H-pIC-2 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=52_sec-C13-24H-pIC-2.mzxml SUBJECT_SAMPLE_FACTORS - 53_sec-C13-24H-pIC-3 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=53_sec-C13-24H-pIC-3.mzxml SUBJECT_SAMPLE_FACTORS - 54_sec-C13-24H-pIC-4 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=54_sec-C13-24H-pIC-4.mzxml SUBJECT_SAMPLE_FACTORS - 55_sec-C13-24H-pIC-5 Sample source:Secondary Cell | Treatment:Pristane RAW_FILE_NAME(Raw File Name)=55_sec-C13-24H-pIC-5.mzxml SUBJECT_SAMPLE_FACTORS - 56_sec-C13-24H-Lup-1 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=56_sec-C13-24H-Lup-1.mzxml SUBJECT_SAMPLE_FACTORS - 57_sec-C13-24H-Lup-2 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=57_sec-C13-24H-Lup-2.mzxml SUBJECT_SAMPLE_FACTORS - 58_sec-C13-24H-Lup-3 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=58_sec-C13-24H-Lup-3.mzxml SUBJECT_SAMPLE_FACTORS - 59_sec-C13-24H-Lup-4 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=59_sec-C13-24H-Lup-4.mzxml SUBJECT_SAMPLE_FACTORS - 60_sec-C13-24H-Lup-5 Sample source:Secondary Cell | Treatment:Lup RAW_FILE_NAME(Raw File Name)=60_sec-C13-24H-Lup-5.mzxml #COLLECTION CO:COLLECTION_SUMMARY Bone marrow derived macrophages (BMDMs) were generated by flushing one femur CO:COLLECTION_SUMMARY with 3mL of SM. BM cells were then placed into culture in T-75 flasks with BMDM CO:COLLECTION_SUMMARY media (DMEM base, 10% FBS, 1x Anti Anti (Gibco, 15240-062), 1x MEM-NEAA (Gibco, CO:COLLECTION_SUMMARY 11140-050), 1x Sodium Pyruvate (Gibco, 11360-070), 1x L-glutamine (Gibco, CO:COLLECTION_SUMMARY 25030-081) containing 50ng/mL of M-CSF (Peprotech). On day 5 of culture, CO:COLLECTION_SUMMARY adherent cells were washed three times with sterile 1x DPBS (Gibco, 14190-136) CO:COLLECTION_SUMMARY and isolated via treatment with 0.25% Trypsin (Gibco, 25200-056) for 3 minutes CO:COLLECTION_SUMMARY at 37oC before mechanical scraping. Cells were counted via hemocytometer before CO:COLLECTION_SUMMARY being seeded overnight for functional assessment. The positive generation of CO:COLLECTION_SUMMARY BMDMs in culture was determined by examination of Gr1+/CD11b+/F4/80+ cells via CO:COLLECTION_SUMMARY flow cytometry using staining cocktails described above. For BMDM CO:COLLECTION_SUMMARY differentiation in the presence of rapamycin (1µg/mL, Sigma R0395), rapamycin CO:COLLECTION_SUMMARY was added to the BMDM media at the time of initial plating. After three days of CO:COLLECTION_SUMMARY culture, rapamycin was replenished by adding it directly to the culture flask CO:COLLECTION_SUMMARY for a final concentration of 1µg/mL. CO:SAMPLE_TYPE Bone marrow #TREATMENT TR:TREATMENT_SUMMARY BMDMs (3x105 cells) were plated and cultured for a total of 24 hours. After 18 TR:TREATMENT_SUMMARY hours of culture, the cells were stimulated with IC for the remaining 6 hours. TR:TREATMENT_SUMMARY For stable isotope-labeled U-13C6-glucose tracing experiments, the cells were TR:TREATMENT_SUMMARY cultured in BMDM media using DMEM base media without glucose that was TR:TREATMENT_SUMMARY supplemented with U-13C-glucose (Sigma Aldrich 389374) at a concentration of TR:TREATMENT_SUMMARY 4.5g/L for 24 hours, with IC stimulation starting at hour 18 for the remaining 6 TR:TREATMENT_SUMMARY hours. Subsequently, the BMDMs were washed with DPBS, all liquid was removed, TR:TREATMENT_SUMMARY and the cells were flash frozen using liquid nitrogen #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The BMDMs were then prepared for metabolomics analyses via ultra-high SP:SAMPLEPREP_SUMMARY pressure-liquid chromatography-mass spectrometry (UHPLC-MS – Vanquish and Q SP:SAMPLEPREP_SUMMARY Exactive, Thermo Fisher) as previously reported (Nemkov, D’Alessandro and SP:SAMPLEPREP_SUMMARY Hansen, 2015). Briefly, cells were extracted in ice cold SP:SAMPLEPREP_SUMMARY methanol:acetonitrile:water (5:3:2 v/v/v) at a concentration of 2x106 cells/mL SP:SAMPLEPREP_SUMMARY of buffer. After vortexing for 30 min at 4°C, samples were centrifuged at SP:SAMPLEPREP_SUMMARY 12,000 g for 10 min at 4°C and supernatants processed for metabolomics SP:SAMPLEPREP_SUMMARY analyses. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY After sample randomization, 10 μL of extracts were injected into a Thermo CH:CHROMATOGRAPHY_SUMMARY Vanquish UHPLC system (San Jose, CA, USA) and resolved on a Kinetex C18 column CH:CHROMATOGRAPHY_SUMMARY (150 × 2.1 mm, 1.7 μm, Phenomenex, Torrance, CA, USA) at 450 μL/min through a CH:CHROMATOGRAPHY_SUMMARY 5 min gradient from 5 to 95% organic solvent B (mobile phases: A = water, 0.1% CH:CHROMATOGRAPHY_SUMMARY formic acid; B = acetonitrile, 0.1% formic acid) in positive ion mode. Solvent CH:CHROMATOGRAPHY_SUMMARY gradient: 0-0.5 min 5% B, 0.5-1.1 min 5-95% B, 1.1-2.75 min hold at 95% B, CH:CHROMATOGRAPHY_SUMMARY 2.75-3 min 95-5% B, 3-5 min hold at 5% B. CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Phenomenex Kinetex C18 (150 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 0.1% formic acid CH:SOLVENT_B 100% acetonitrile; 0.1% formic acid CH:FLOW_GRADIENT 0-0.5 min 5% B, 0.5-1.1 min 5-95% B, 1.1-2.75 min hold at 95% B, 2.75-3 min CH:FLOW_GRADIENT 95-5% B, 3-5 min hold at 5% B. CH:FLOW_RATE 0.45mL/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The mass spectrometer scanned in Full MS mode at 70,000 resolution in the MS:MS_COMMENTS 65–975 m/z range, 4 kV spray voltage, 45 sheath gas and 15 auxiliary gas #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Intensity Counts MS_METABOLITE_DATA_START Samples 1_prim-Ctrl-1 2_prim-Ctrl-2 3_prim-Ctrl-3 4_prim-Ctrl-4 5_prim-Ctrl-5 6_prim-pIC-1 7_prim-pIC-2 8_prim-pIC-3 9_prim-pIC-4 10_prim-pIC-5 11_prim-Lup-1 12_prim-Lup-2 13_prim-Lup-3 14_prim-Lup-4 15_prim-Lup-5 16_sec-Ctrl-1 17_sec-Ctrl-2 18_sec-Ctrl-3 19_sec-Ctrl-4 20_sec-Ctrl-5 21_sec-pIC-1 22_sec-pIC-2 23_sec-pIC-3 24_sec-pIC-4 25_sec-pIC-5 26_sec-Lup-1 27_sec-Lup-2 28_sec-Lup-3 29_sec-Lup-4 30_sec-Lup-5 31_sec-C13-6H-Ctrl-1 32_sec-C13-6H-Ctrl-2 33_sec-C13-6H-Ctrl-3 34_sec-C13-6H-Ctrl-4 35_sec-C13-6H-Ctrl-5 36_sec-C13-6H-pIC-1 37_sec-C13-6H-pIC-2 38_sec-C13-6H-pIC-3 39_sec-C13-6H-pIC-4 40_sec-C13-6H-pIC-5 41_sec-C13-6H-Lup-1 42_sec-C13-6H-Lup-2 43_sec-C13-6H-Lup-3 44_sec-C13-6H-Lup-4 45_sec-C13-6H-Lup-5 46_sec-C13-24H-Ctrl-1 47_sec-C13-24H-Ctrl-2 48_sec-C13-24H-Ctrl-3 49_sec-C13-24H-Ctrl-4 50_sec-C13-24H-Ctrl-5 51_sec-C13-24H-pIC-1 52_sec-C13-24H-pIC-2 53_sec-C13-24H-pIC-3 54_sec-C13-24H-pIC-4 55_sec-C13-24H-pIC-5 56_sec-C13-24H-Lup-1 57_sec-C13-24H-Lup-2 58_sec-C13-24H-Lup-3 59_sec-C13-24H-Lup-4 60_sec-C13-24H-Lup-5 Factors Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Control Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Pristane Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Primary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Control Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Pristane Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup Sample source:Secondary Cell | Treatment:Lup L-alanine 7.28E+06 5.53E+06 2.95E+06 6.83E+06 6.03E+06 6.08E+06 5.16E+06 3.04E+06 7.03E+06 6.21E+06 9.78E+06 7.90E+06 3.39E+06 5.98E+06 7.42E+06 6.81E+06 6.60E+06 8.90E+06 8.65E+06 8.17E+06 5.37E+06 6.55E+06 6.91E+06 5.84E+06 5.51E+06 5.96E+06 5.94E+06 7.03E+06 5.81E+06 5.81E+06 2.79E+06 2.55E+06 2.46E+06 2.87E+06 2.99E+06 3.36E+06 3.17E+06 3.06E+06 3.51E+06 3.40E+06 1.26E+06 1.56E+06 1.17E+06 1.25E+06 1.15E+06 1.96E+06 1.88E+06 1.42E+06 2.22E+06 1.85E+06 1.98E+06 1.89E+06 1.85E+06 1.63E+06 2.34E+06 2.18E+06 2.35E+06 2.16E+06 1.99E+06 2.43E+06 L-arginine 1.34E+07 1.08E+07 8.04E+06 1.20E+07 1.05E+07 1.40E+07 1.21E+07 9.65E+06 1.21E+07 1.27E+07 1.50E+07 1.38E+07 9.73E+06 1.13E+07 1.33E+07 6.69E+06 7.25E+06 7.85E+06 7.54E+06 1.11E+07 5.55E+06 6.49E+06 6.10E+06 6.10E+06 6.20E+06 6.84E+06 7.47E+06 6.88E+06 7.67E+06 7.25E+06 1.60E+06 1.34E+06 1.42E+06 1.35E+06 1.50E+06 1.64E+06 1.65E+06 1.65E+06 1.39E+06 1.47E+06 1.09E+06 1.21E+06 1.25E+06 1.03E+06 1.11E+06 1.87E+06 1.20E+06 1.17E+06 2.05E+06 1.20E+06 1.78E+06 1.47E+06 1.42E+06 1.29E+06 1.51E+06 1.75E+06 1.51E+06 1.52E+06 1.31E+06 1.25E+06 L-asparagine 1.32E+06 5.69E+05 1.74E+05 8.11E+05 3.91E+05 7.13E+05 3.65E+05 2.16E+05 3.74E+05 4.68E+05 8.27E+05 6.83E+05 1.54E+05 4.60E+05 5.92E+05 6.09E+05 5.27E+05 7.06E+05 7.46E+05 8.24E+05 5.87E+05 5.81E+05 5.75E+05 5.29E+05 5.74E+05 5.90E+05 5.22E+05 6.68E+05 5.04E+05 5.28E+05 1.18E+05 1.22E+05 1.27E+05 1.63E+05 1.24E+05 1.80E+05 1.44E+05 1.77E+05 1.73E+05 1.55E+05 7.32E+04 1.01E+05 6.69E+04 7.50E+04 6.27E+04 1.02E+05 7.76E+04 5.80E+04 7.91E+04 7.52E+04 1.08E+05 9.44E+04 9.17E+04 8.95E+04 1.12E+05 1.35E+05 1.18E+05 1.18E+05 1.04E+05 1.21E+05 L-aspartate 3.75E+06 1.84E+06 6.88E+05 2.75E+06 1.39E+06 2.29E+06 1.16E+06 6.80E+05 1.34E+06 9.81E+05 2.39E+06 2.24E+06 5.32E+05 1.34E+06 1.75E+06 6.41E+06 5.62E+06 7.45E+06 7.96E+06 4.92E+06 5.89E+06 5.70E+06 5.96E+06 5.46E+06 5.88E+06 6.82E+06 6.57E+06 7.68E+06 5.97E+06 6.53E+06 4.78E+05 4.05E+05 4.46E+05 5.04E+05 5.84E+05 3.47E+05 3.54E+05 3.70E+05 3.60E+05 3.69E+05 2.81E+05 4.59E+05 3.31E+05 3.47E+05 2.60E+05 2.23E+05 2.18E+05 2.72E+05 2.82E+05 2.66E+05 3.59E+05 4.17E+05 4.06E+05 3.42E+05 4.68E+05 2.37E+05 2.68E+05 2.84E+05 2.63E+05 2.89E+05 L-glutamate 1.01E+07 5.24E+06 2.23E+06 7.62E+06 4.33E+06 7.36E+06 3.62E+06 2.27E+06 3.77E+06 3.80E+06 8.65E+06 6.78E+06 1.99E+06 4.39E+06 5.84E+06 2.18E+07 1.97E+07 2.57E+07 2.76E+07 1.73E+07 1.72E+07 1.95E+07 1.93E+07 1.85E+07 1.92E+07 2.13E+07 1.89E+07 2.52E+07 1.89E+07 2.08E+07 4.83E+06 4.25E+06 4.59E+06 5.12E+06 6.10E+06 2.73E+06 2.52E+06 2.74E+06 2.74E+06 2.54E+06 2.72E+06 4.37E+06 2.99E+06 3.72E+06 2.95E+06 1.86E+06 1.62E+06 1.79E+06 2.25E+06 2.03E+06 3.84E+06 4.36E+06 3.97E+06 3.75E+06 4.84E+06 2.18E+06 2.15E+06 2.18E+06 2.07E+06 2.47E+06 L-glutamine 7.92E+06 3.90E+06 1.92E+06 5.65E+06 3.46E+06 5.37E+06 2.97E+06 2.34E+06 3.34E+06 3.76E+06 6.50E+06 5.25E+06 1.95E+06 3.53E+06 4.93E+06 3.46E+07 3.63E+07 5.26E+07 4.82E+07 6.26E+07 3.49E+07 4.13E+07 3.67E+07 3.59E+07 3.45E+07 5.04E+07 4.84E+07 4.28E+07 3.91E+07 4.62E+07 2.74E+06 2.51E+06 2.45E+06 2.74E+06 3.35E+06 3.21E+06 2.79E+06 3.40E+06 3.18E+06 2.98E+06 1.78E+06 2.41E+06 1.96E+06 2.15E+06 1.86E+06 2.82E+06 1.81E+06 2.07E+06 3.23E+06 1.95E+06 2.53E+06 2.22E+06 2.20E+06 2.05E+06 2.74E+06 2.81E+06 2.39E+06 2.44E+06 1.92E+06 2.11E+06 glycine 6.26E+05 8.52E+05 7.12E+05 6.94E+05 6.29E+05 7.70E+05 0.00E+00 6.38E+05 5.71E+05 7.78E+05 6.12E+05 5.65E+05 6.33E+05 6.32E+05 6.24E+05 2.06E+06 1.81E+06 2.23E+06 2.51E+06 2.49E+06 1.56E+06 1.61E+06 1.58E+06 1.54E+06 1.42E+06 1.63E+06 1.64E+06 1.75E+06 1.70E+06 1.74E+06 6.87E+05 8.11E+05 4.41E+05 0.00E+00 5.40E+05 8.09E+05 0.00E+00 4.23E+05 0.00E+00 8.04E+05 0.00E+00 4.16E+05 7.62E+05 9.58E+05 7.96E+05 6.32E+05 7.37E+05 0.00E+00 6.24E+05 6.73E+05 7.42E+05 8.09E+05 6.77E+05 0.00E+00 7.01E+05 6.24E+05 5.02E+05 4.67E+05 0.00E+00 5.39E+05 L-histidine 1.72E+06 1.22E+06 5.50E+05 1.33E+06 1.07E+06 1.94E+06 1.03E+06 8.44E+05 1.27E+06 1.52E+06 1.81E+06 1.51E+06 6.87E+05 1.24E+06 1.52E+06 2.29E+06 2.01E+06 2.91E+06 2.81E+06 3.44E+06 1.87E+06 2.69E+06 2.24E+06 2.05E+06 2.21E+06 2.41E+06 2.25E+06 2.39E+06 2.48E+06 2.35E+06 2.93E+05 2.60E+05 2.42E+05 2.72E+05 3.04E+05 3.63E+05 3.27E+05 3.57E+05 3.08E+05 4.05E+05 1.56E+05 1.89E+05 2.49E+05 1.63E+05 1.59E+05 2.69E+05 2.34E+05 2.05E+05 3.73E+05 2.19E+05 2.30E+05 2.00E+05 1.99E+05 1.72E+05 2.30E+05 3.05E+05 2.61E+05 2.81E+05 2.20E+05 2.46E+05 L-leucine/isoleucine 2.91E+07 3.49E+07 1.68E+07 3.46E+07 2.81E+07 5.47E+07 2.08E+07 1.93E+07 2.85E+07 4.31E+07 5.10E+07 3.76E+07 2.61E+07 2.61E+07 4.81E+07 5.02E+07 5.63E+07 6.44E+07 6.45E+07 9.03E+07 2.99E+07 5.32E+07 4.48E+07 4.38E+07 3.92E+07 5.94E+07 4.93E+07 5.43E+07 6.14E+07 6.28E+07 4.25E+06 4.27E+06 3.07E+06 3.53E+06 4.39E+06 7.81E+06 5.06E+06 6.84E+06 5.85E+06 7.28E+06 2.56E+06 3.13E+06 1.67E+06 3.33E+06 2.21E+06 6.69E+06 4.00E+06 2.73E+06 8.29E+06 4.65E+06 4.77E+06 3.77E+06 3.97E+06 3.09E+06 4.08E+06 5.83E+06 4.49E+06 5.57E+06 4.35E+06 4.57E+06 L-lysine 6.70E+06 4.34E+06 1.96E+06 5.42E+06 4.13E+06 5.67E+06 3.91E+06 3.19E+06 5.11E+06 4.76E+06 7.03E+06 6.89E+06 3.00E+06 4.64E+06 5.54E+06 4.98E+06 4.83E+06 6.23E+06 6.14E+06 9.46E+06 3.91E+06 4.80E+06 3.90E+06 4.16E+06 4.61E+06 6.06E+06 6.93E+06 5.25E+06 5.61E+06 5.14E+06 6.24E+05 6.37E+05 6.74E+05 7.12E+05 7.43E+05 8.91E+05 8.12E+05 8.91E+05 8.52E+05 9.40E+05 4.82E+05 5.26E+05 5.28E+05 4.25E+05 3.66E+05 8.86E+05 5.40E+05 5.09E+05 8.79E+05 4.11E+05 6.46E+05 5.18E+05 6.02E+05 5.64E+05 7.20E+05 8.31E+05 7.88E+05 8.66E+05 5.46E+05 6.25E+05 L-methionine 1.20E+07 1.06E+07 4.29E+06 9.10E+06 7.54E+06 1.06E+07 6.94E+06 4.68E+06 7.09E+06 9.97E+06 1.19E+07 1.02E+07 5.78E+06 8.69E+06 1.07E+07 6.87E+06 7.85E+06 8.37E+06 8.96E+06 8.03E+06 5.12E+06 5.35E+06 4.54E+06 5.83E+06 6.21E+06 6.93E+06 6.46E+06 6.83E+06 6.50E+06 7.28E+06 6.85E+05 5.83E+05 4.55E+05 5.23E+05 6.50E+05 9.34E+05 6.73E+05 6.75E+05 7.43E+05 8.37E+05 3.14E+05 3.30E+05 2.88E+05 3.29E+05 3.32E+05 6.11E+05 4.07E+05 3.20E+05 7.11E+05 4.38E+05 4.88E+05 4.47E+05 4.13E+05 3.24E+05 4.58E+05 5.51E+05 3.73E+05 4.96E+05 4.19E+05 4.86E+05 L-phenylalanine 5.13E+05 3.23E+06 1.43E+06 1.24E+06 2.18E+06 5.86E+06 1.36E+06 8.18E+05 1.71E+06 7.37E+06 8.01E+06 2.10E+06 2.91E+06 5.01E+05 4.49E+06 6.06E+06 6.19E+06 9.92E+06 1.21E+07 1.25E+07 7.04E+05 1.36E+07 1.08E+07 1.07E+07 2.52E+06 7.92E+06 3.17E+06 1.01E+07 1.50E+07 9.58E+06 6.36E+05 1.11E+06 4.83E+05 3.48E+05 6.59E+05 4.73E+05 3.12E+05 2.31E+06 7.43E+05 1.42E+06 1.39E+05 1.95E+06 2.04E+05 6.53E+05 4.09E+05 8.23E+05 1.80E+06 1.15E+05 1.41E+06 1.18E+06 7.49E+05 4.95E+05 8.38E+05 5.92E+05 6.39E+05 8.08E+05 4.20E+05 2.09E+06 5.33E+05 5.69E+05 L-proline 1.16E+07 1.02E+07 3.25E+06 1.11E+07 8.55E+06 1.28E+07 5.55E+06 4.74E+06 9.62E+06 1.04E+07 1.41E+07 1.22E+07 4.46E+06 8.73E+06 9.55E+06 9.18E+06 8.70E+06 1.08E+07 1.04E+07 1.56E+07 6.72E+06 8.75E+06 7.04E+06 7.05E+06 7.84E+06 9.42E+06 9.34E+06 8.58E+06 7.34E+06 9.71E+06 1.73E+06 1.99E+06 1.71E+06 1.88E+06 1.99E+06 2.17E+06 1.47E+06 2.10E+06 1.92E+06 1.94E+06 9.54E+05 1.09E+06 1.17E+06 1.36E+06 9.19E+05 1.57E+06 1.40E+06 1.06E+06 1.75E+06 1.41E+06 1.68E+06 1.49E+06 1.52E+06 1.11E+06 1.24E+06 1.81E+06 1.32E+06 1.62E+06 1.38E+06 1.47E+06 L-serine 4.58E+06 2.61E+06 7.77E+05 3.48E+06 1.85E+06 2.74E+06 2.03E+06 8.55E+05 2.84E+06 1.83E+06 3.88E+06 3.21E+06 8.22E+05 2.13E+06 2.76E+06 3.09E+06 2.82E+06 3.78E+06 4.00E+06 3.46E+06 3.39E+06 3.80E+06 3.32E+06 2.94E+06 3.27E+06 3.41E+06 3.33E+06 3.56E+06 2.80E+06 2.93E+06 3.08E+05 2.39E+05 2.18E+05 2.86E+05 3.55E+05 2.56E+05 2.39E+05 2.98E+05 2.57E+05 3.09E+05 1.52E+05 2.15E+05 2.35E+05 1.80E+05 1.57E+05 1.95E+05 1.55E+05 1.60E+05 2.00E+05 1.61E+05 2.00E+05 1.99E+05 1.99E+05 1.78E+05 2.90E+05 2.25E+05 1.92E+05 1.87E+05 1.67E+05 2.25E+05 L-threonine 5.74E+06 3.25E+06 1.26E+06 4.48E+06 2.86E+06 4.43E+06 2.91E+06 1.61E+06 3.46E+06 3.33E+06 6.00E+06 4.82E+06 1.49E+06 3.48E+06 4.42E+06 6.83E+06 6.43E+06 9.69E+06 8.63E+06 1.19E+07 5.73E+06 7.35E+06 6.42E+06 6.02E+06 6.49E+06 8.58E+06 8.09E+06 6.77E+06 6.85E+06 7.87E+06 7.23E+05 5.10E+05 5.15E+05 7.22E+05 8.78E+05 1.03E+06 8.35E+05 1.02E+06 9.10E+05 9.46E+05 4.00E+05 5.68E+05 5.19E+05 4.83E+05 3.99E+05 7.79E+05 5.45E+05 5.74E+05 9.61E+05 5.45E+05 5.58E+05 5.11E+05 5.49E+05 4.73E+05 6.44E+05 7.62E+05 7.19E+05 6.43E+05 4.85E+05 6.27E+05 L-tryptophan 4.58E+06 3.04E+06 2.49E+06 3.80E+06 4.96E+06 5.29E+06 4.46E+06 6.77E+06 6.06E+06 6.83E+06 5.99E+06 6.64E+06 4.52E+06 6.39E+06 5.97E+06 3.26E+06 3.98E+06 4.93E+06 4.49E+06 1.14E+07 2.92E+06 2.99E+06 2.41E+06 2.40E+06 3.10E+06 4.45E+06 5.67E+06 3.16E+06 3.74E+06 4.16E+06 1.09E+06 9.87E+05 1.06E+06 1.07E+06 1.06E+06 2.17E+06 2.12E+06 2.26E+06 2.19E+06 2.12E+06 8.49E+05 7.61E+05 1.14E+06 5.60E+05 7.44E+05 2.06E+06 1.40E+06 1.23E+06 1.85E+06 1.08E+06 1.10E+06 7.58E+05 6.57E+05 6.57E+05 7.98E+05 1.62E+06 1.82E+06 1.70E+06 1.33E+06 1.29E+06 L-tyrosine 6.12E+06 5.10E+06 2.11E+06 4.63E+06 3.80E+06 4.64E+06 3.34E+06 1.93E+06 3.47E+06 4.22E+06 5.32E+06 4.65E+06 2.44E+06 4.04E+06 4.59E+06 1.11E+07 1.24E+07 1.33E+07 1.37E+07 1.34E+07 7.89E+06 9.16E+06 7.48E+06 9.37E+06 9.27E+06 1.21E+07 1.21E+07 1.21E+07 1.19E+07 1.34E+07 7.85E+05 8.61E+05 6.49E+05 6.86E+05 9.56E+05 1.80E+06 1.29E+06 1.41E+06 1.56E+06 1.67E+06 5.53E+05 6.15E+05 6.54E+05 5.50E+05 5.91E+05 1.34E+06 6.97E+05 6.47E+05 1.24E+06 5.80E+05 8.87E+05 7.46E+05 7.03E+05 5.48E+05 7.55E+05 1.18E+06 8.22E+05 1.12E+06 8.27E+05 9.57E+05 L-valine 2.36E+07 2.11E+07 1.08E+07 2.13E+07 1.60E+07 1.84E+07 1.31E+07 8.52E+06 1.76E+07 1.77E+07 2.46E+07 2.16E+07 1.32E+07 1.78E+07 2.10E+07 3.96E+07 3.96E+07 4.45E+07 4.46E+07 5.59E+07 2.94E+07 4.10E+07 3.28E+07 3.67E+07 2.82E+07 3.98E+07 3.47E+07 3.48E+07 3.81E+07 4.04E+07 1.15E+07 1.29E+07 1.07E+07 1.29E+07 1.36E+07 1.36E+07 1.04E+07 1.18E+07 1.10E+07 1.05E+07 4.89E+06 6.77E+06 5.50E+06 6.17E+06 6.30E+06 7.85E+06 7.35E+06 5.04E+06 9.08E+06 6.59E+06 9.75E+06 9.39E+06 6.99E+06 7.08E+06 7.20E+06 7.33E+06 6.89E+06 6.70E+06 7.30E+06 6.54E+06 L-cystine 7.17E+04 4.34E+04 2.16E+04 1.24E+05 4.82E+04 3.38E+04 3.70E+04 1.06E+04 5.18E+04 2.23E+04 3.71E+04 5.79E+04 1.19E+04 3.43E+04 2.84E+04 3.88E+05 5.49E+05 6.40E+05 5.23E+05 1.01E+06 5.17E+05 4.86E+05 3.26E+05 4.51E+05 4.23E+05 7.66E+05 7.62E+05 5.50E+05 5.90E+05 7.65E+05 5.79E+03 5.58E+03 4.53E+03 4.02E+03 8.49E+03 1.04E+04 6.54E+03 2.44E+04 1.16E+04 1.46E+04 1.01E+04 1.63E+04 1.17E+04 7.15E+03 4.61E+03 2.40E+04 1.25E+04 1.90E+04 2.25E+04 9.99E+03 1.33E+04 4.17E+03 1.39E+04 3.11E+03 8.41E+03 1.40E+04 1.17E+04 1.59E+04 3.50E+03 3.21E+03 AMP 1.19E+06 1.93E+06 1.78E+06 1.84E+06 1.15E+06 3.50E+05 1.81E+06 4.21E+05 1.42E+06 2.19E+05 1.59E+06 1.39E+06 1.57E+06 8.64E+05 1.66E+06 5.43E+06 3.71E+06 4.50E+06 4.96E+06 3.53E+06 3.67E+06 6.39E+06 6.64E+06 4.35E+06 3.38E+06 4.77E+06 5.37E+06 5.10E+06 5.91E+06 4.93E+06 2.50E+06 2.43E+06 2.45E+06 2.40E+06 2.91E+06 1.94E+06 1.60E+06 1.66E+06 1.52E+06 1.80E+06 1.74E+06 1.93E+06 1.62E+06 1.98E+06 1.57E+06 1.10E+06 1.04E+06 1.05E+06 1.29E+06 1.24E+06 2.43E+06 2.87E+06 2.55E+06 2.06E+06 2.70E+06 1.17E+06 1.27E+06 1.38E+06 1.35E+06 1.33E+06 dAMP 2.55E+04 2.61E+04 2.35E+04 2.48E+04 2.08E+04 1.50E+04 1.11E+04 1.34E+04 2.42E+04 1.90E+04 2.38E+04 2.22E+04 1.63E+04 2.25E+04 1.94E+04 1.67E+04 1.90E+04 1.60E+04 2.01E+04 1.09E+05 1.44E+04 2.90E+04 4.05E+04 2.07E+04 2.48E+04 3.47E+04 2.09E+04 2.68E+04 4.62E+04 2.12E+04 2.64E+05 5.99E+05 2.58E+05 3.81E+05 3.12E+05 6.95E+05 5.29E+05 9.28E+05 3.11E+05 1.08E+06 1.98E+05 3.89E+05 8.96E+04 2.66E+05 1.67E+05 4.13E+05 3.67E+05 3.20E+05 5.23E+05 5.46E+05 2.96E+05 3.42E+05 3.67E+05 2.37E+05 2.95E+05 5.87E+05 4.22E+05 9.20E+05 5.11E+05 5.34E+05 Adenosine 2.60E+05 3.72E+05 2.25E+05 2.72E+05 2.57E+05 1.83E+06 1.45E+05 3.47E+05 1.84E+05 3.31E+05 2.19E+05 2.28E+05 1.93E+05 2.32E+05 2.17E+05 2.01E+05 1.93E+05 1.46E+05 1.62E+05 1.38E+05 1.30E+05 1.55E+05 1.38E+05 1.42E+05 1.35E+05 1.32E+05 1.78E+05 1.69E+05 1.14E+05 1.87E+05 1.40E+05 1.45E+05 1.23E+05 1.29E+05 1.34E+05 1.19E+05 7.08E+04 8.09E+04 1.20E+05 1.10E+05 1.14E+05 8.37E+04 1.07E+05 1.27E+05 1.52E+05 7.00E+04 6.37E+04 9.69E+04 5.95E+04 8.80E+04 1.59E+05 1.73E+05 1.47E+05 1.08E+05 1.18E+05 9.79E+04 9.26E+04 6.03E+04 8.49E+04 6.84E+04 Adenine 1.11E+05 1.96E+05 1.50E+05 1.33E+05 9.47E+04 2.65E+05 1.29E+05 1.17E+05 1.04E+05 1.01E+05 1.20E+05 1.12E+05 1.22E+05 9.21E+04 1.57E+05 1.18E+06 3.19E+05 2.60E+05 3.36E+05 1.97E+05 2.20E+05 3.98E+05 4.59E+05 2.67E+05 2.80E+05 2.61E+05 3.21E+05 3.50E+05 3.83E+05 3.32E+05 1.91E+05 1.58E+05 1.60E+05 1.76E+05 1.79E+05 1.66E+05 1.99E+05 1.43E+05 1.81E+05 1.94E+05 1.38E+05 1.31E+05 1.29E+05 1.77E+05 1.40E+05 1.27E+05 1.27E+05 1.29E+05 1.62E+05 1.44E+05 1.79E+05 2.29E+05 1.95E+05 1.53E+05 2.10E+05 1.62E+05 1.46E+05 1.48E+05 1.64E+05 1.47E+05 Guanine 6.24E+04 7.21E+04 3.99E+04 8.29E+04 4.27E+04 1.65E+05 4.44E+04 8.63E+04 4.92E+04 1.11E+05 7.23E+04 6.26E+04 4.20E+04 5.47E+04 5.31E+04 1.52E+05 1.61E+05 1.76E+05 1.95E+05 1.41E+05 9.70E+04 1.51E+05 1.39E+05 1.23E+05 1.21E+05 1.37E+05 1.14E+05 1.57E+05 1.60E+05 1.56E+05 4.86E+04 5.17E+04 4.65E+04 5.20E+04 4.90E+04 4.62E+04 3.63E+04 4.49E+04 4.20E+04 4.91E+04 3.16E+04 3.83E+04 3.01E+04 3.95E+04 2.92E+04 2.98E+04 3.83E+04 2.17E+04 3.25E+04 3.43E+04 4.38E+04 4.82E+04 4.72E+04 3.91E+04 4.77E+04 4.16E+04 3.35E+04 3.31E+04 4.14E+04 3.08E+04 Cytosine 2.27E+05 2.04E+05 7.59E+04 2.38E+05 1.46E+05 1.36E+05 6.02E+04 5.87E+04 5.82E+04 1.01E+05 1.33E+05 1.23E+05 5.05E+04 1.04E+05 1.11E+05 2.68E+05 2.81E+05 2.79E+05 2.84E+05 1.92E+05 1.71E+05 2.27E+05 2.49E+05 2.26E+05 1.93E+05 1.91E+05 1.60E+05 2.17E+05 2.04E+05 2.09E+05 4.77E+04 4.00E+04 3.24E+04 3.30E+04 5.35E+04 4.93E+04 5.49E+04 2.99E+04 4.36E+04 4.44E+04 2.50E+04 2.30E+04 7.85E+03 2.48E+04 1.98E+04 2.06E+04 2.92E+04 1.74E+04 2.94E+04 1.42E+04 3.33E+04 2.15E+04 4.07E+04 1.74E+04 3.51E+04 2.85E+04 2.84E+04 2.20E+04 2.54E+04 3.02E+04 Hypoxanthine 1.56E+07 1.28E+07 3.90E+06 1.15E+07 8.09E+06 1.10E+07 3.55E+06 6.02E+06 4.96E+06 8.88E+06 1.04E+07 8.59E+06 3.35E+06 8.36E+06 8.25E+06 1.24E+06 1.01E+06 1.11E+06 1.41E+06 9.64E+05 8.84E+05 4.54E+05 6.39E+05 7.13E+05 6.46E+05 6.55E+05 7.06E+05 9.03E+05 6.24E+05 8.12E+05 2.92E+06 2.83E+06 2.19E+06 3.15E+06 3.38E+06 3.68E+06 3.12E+06 2.57E+06 3.64E+06 3.82E+06 1.14E+06 1.28E+06 1.13E+06 1.50E+06 1.41E+06 1.60E+06 1.20E+06 9.68E+05 1.95E+06 1.17E+06 1.99E+06 2.29E+06 1.99E+06 1.51E+06 2.39E+06 1.55E+06 1.77E+06 2.06E+06 1.80E+06 1.90E+06 Allantoate 1.78E+04 4.63E+04 2.63E+04 5.41E+04 3.25E+04 6.79E+04 3.51E+04 3.17E+04 4.38E+05 7.17E+04 1.87E+04 3.02E+04 5.99E+03 1.92E+04 2.40E+04 6.59E+04 6.62E+04 6.74E+04 5.59E+04 1.42E+05 4.95E+04 2.13E+05 5.57E+04 5.54E+04 7.82E+04 6.42E+04 7.35E+04 5.80E+04 6.62E+04 6.02E+04 2.95E+04 1.24E+04 1.61E+04 1.64E+04 2.29E+04 2.15E+04 1.69E+04 3.12E+04 1.79E+04 5.54E+04 1.61E+04 1.19E+04 8.51E+04 1.05E+04 3.90E+03 2.40E+04 2.50E+04 1.57E+04 2.94E+04 7.78E+03 1.92E+04 1.47E+04 1.22E+04 9.15E+03 7.80E+03 2.30E+04 2.25E+04 1.82E+04 1.13E+04 2.57E+04 5-Hydroxyisourate 1.15E+05 7.61E+04 3.24E+04 1.23E+05 6.53E+04 8.10E+04 5.55E+04 4.68E+04 6.40E+04 5.40E+04 1.41E+05 1.01E+05 3.22E+04 7.27E+04 9.99E+04 1.71E+06 2.44E+06 2.71E+06 2.43E+06 2.48E+06 1.03E+06 1.88E+06 1.87E+06 1.65E+06 1.20E+06 1.74E+06 1.62E+06 2.10E+06 2.25E+06 2.15E+06 1.17E+05 9.82E+04 9.88E+04 1.29E+05 1.71E+05 1.44E+05 8.32E+04 1.37E+05 1.27E+05 1.13E+05 5.00E+04 8.07E+04 5.08E+04 6.42E+04 5.18E+04 5.79E+04 4.96E+04 5.58E+04 9.83E+04 6.12E+04 1.06E+05 8.20E+04 8.59E+04 6.55E+04 1.12E+05 9.52E+04 6.92E+04 8.40E+04 5.33E+04 7.29E+04 2',3'-Cyclic CMP 1.02E+05 1.24E+05 3.72E+04 1.22E+05 5.09E+04 1.04E+04 3.67E+04 1.39E+04 3.63E+04 4.70E+03 5.55E+04 6.84E+04 1.91E+04 3.81E+04 5.26E+04 1.70E+04 2.86E+04 1.01E+04 3.28E+03 2.81E+04 2.65E+03 3.98E+03 2.53E+03 7.36E+03 1.72E+04 1.06E+04 1.69E+04 1.40E+04 1.23E+04 4.45E+03 4.51E+04 3.47E+04 3.90E+04 5.41E+04 4.64E+04 2.09E+04 1.69E+04 2.45E+04 3.42E+04 1.83E+04 1.31E+04 2.64E+04 1.58E+04 1.26E+04 1.71E+04 4.18E+03 0.00E+00 2.51E+03 3.73E+03 4.55E+03 3.29E+04 3.10E+04 2.51E+04 2.47E+04 3.36E+04 4.55E+03 1.08E+04 1.22E+04 5.49E+03 1.21E+04 5-6-Dihydrothymine 2.66E+05 2.52E+05 1.29E+05 3.03E+05 2.19E+05 2.56E+05 1.89E+05 1.34E+05 1.98E+05 1.65E+05 3.22E+05 2.48E+05 1.15E+05 1.99E+05 2.59E+05 3.29E+06 3.10E+06 3.63E+06 4.62E+06 3.69E+06 2.29E+06 2.60E+06 3.00E+06 2.26E+06 2.49E+06 2.68E+06 2.27E+06 3.23E+06 2.89E+06 3.04E+06 6.29E+05 4.83E+05 4.54E+05 5.30E+05 6.73E+05 1.84E+06 1.47E+06 1.53E+06 1.42E+06 1.56E+06 2.74E+05 3.96E+05 2.63E+05 3.32E+05 2.84E+05 9.95E+05 1.20E+06 9.15E+05 1.32E+06 1.27E+06 4.81E+05 5.10E+05 4.76E+05 3.68E+05 5.61E+05 1.31E+06 1.03E+06 1.24E+06 1.25E+06 1.30E+06 Pyridoxal 4.66E+04 3.82E+04 1.92E+04 2.76E+04 2.66E+04 5.45E+04 5.06E+04 3.07E+04 2.75E+04 2.92E+04 1.69E+04 2.03E+04 2.12E+04 2.23E+04 2.25E+04 7.51E+04 1.02E+05 4.38E+04 5.38E+04 1.55E+04 2.74E+04 5.81E+04 3.72E+04 4.32E+04 3.67E+04 1.46E+04 4.82E+04 4.51E+04 4.05E+04 2.89E+04 1.94E+05 0.00E+00 1.33E+04 2.56E+04 1.41E+05 5.48E+04 1.96E+04 2.13E+04 1.26E+05 3.96E+04 1.17E+05 0.00E+00 1.06E+05 1.20E+04 7.54E+04 6.41E+04 1.35E+04 3.36E+04 1.37E+04 1.33E+04 2.69E+04 3.22E+04 4.47E+04 0.00E+00 3.97E+04 2.26E+04 1.11E+05 0.00E+00 2.35E+04 2.06E+04 Nicotinamide 3.36E+06 5.12E+06 3.18E+06 4.86E+06 3.69E+06 5.14E+06 3.38E+06 3.33E+06 4.22E+06 6.05E+06 3.97E+06 3.45E+06 3.18E+06 3.19E+06 3.63E+06 2.33E+06 2.79E+06 2.80E+06 3.08E+06 4.47E+06 1.68E+06 2.87E+06 2.34E+06 2.42E+06 1.77E+06 2.59E+06 2.90E+06 2.52E+06 3.40E+06 2.89E+06 8.86E+06 7.48E+06 5.42E+06 5.17E+06 6.52E+06 7.80E+06 4.90E+06 4.97E+06 5.88E+06 6.21E+06 3.64E+06 3.94E+06 3.15E+06 6.28E+06 4.90E+06 4.18E+06 5.80E+06 3.28E+06 5.68E+06 6.20E+06 5.54E+06 5.39E+06 5.94E+06 2.78E+06 4.15E+06 6.92E+06 3.96E+06 4.44E+06 5.45E+06 4.24E+06 NAD+ 3.44E+04 4.12E+04 6.63E+03 2.53E+04 1.44E+04 9.55E+04 6.14E+04 2.33E+04 4.95E+04 2.94E+04 4.82E+04 5.06E+04 2.77E+04 4.73E+04 4.54E+04 5.25E+05 5.36E+05 4.46E+05 5.52E+05 2.94E+05 3.78E+05 4.26E+05 4.66E+05 4.37E+05 3.81E+05 3.96E+05 3.13E+05 5.62E+05 5.43E+05 4.51E+05 0.00E+00 4.64E+03 2.36E+03 0.00E+00 3.85E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.87E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 9.26E+03 4.45E+03 4.50E+03 0.00E+00 5.00E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 Phosphate 3.12E+07 2.48E+07 5.82E+07 3.09E+07 5.93E+07 2.62E+07 4.78E+07 4.85E+07 5.50E+07 4.26E+07 5.05E+07 4.73E+07 6.05E+07 4.83E+07 4.94E+07 1.07E+07 3.19E+06 1.14E+07 1.45E+07 1.11E+07 6.74E+06 6.68E+06 8.61E+06 4.03E+06 7.01E+06 9.01E+06 8.30E+06 9.72E+06 6.26E+06 8.36E+06 6.27E+07 5.69E+07 5.99E+07 5.69E+07 5.94E+07 5.70E+07 6.68E+07 6.38E+07 5.37E+07 5.55E+07 6.46E+07 6.57E+07 5.28E+07 3.94E+07 5.20E+07 6.65E+07 6.18E+07 5.58E+07 6.01E+07 5.63E+07 6.21E+07 5.51E+07 4.28E+07 6.39E+07 5.96E+07 5.32E+07 6.41E+07 6.19E+07 6.28E+07 6.64E+07 Glutathione 1.17E+07 9.77E+06 4.58E+06 9.21E+06 6.37E+06 7.04E+06 2.74E+06 2.74E+06 4.80E+06 4.46E+06 7.96E+06 7.15E+06 3.47E+06 5.89E+06 6.96E+06 2.97E+07 2.72E+07 2.81E+07 3.22E+07 1.86E+07 1.92E+07 2.28E+07 2.69E+07 2.04E+07 2.10E+07 2.12E+07 2.32E+07 2.11E+07 2.35E+07 2.59E+07 4.31E+06 9.47E+06 4.72E+06 6.53E+06 6.16E+06 6.45E+06 4.12E+06 6.00E+06 2.08E+06 7.36E+06 3.05E+06 7.19E+06 1.51E+06 3.97E+06 2.94E+06 3.29E+06 2.24E+06 2.58E+06 3.84E+06 4.19E+06 4.99E+06 5.56E+06 6.39E+06 4.19E+06 5.98E+06 4.24E+06 2.77E+06 6.98E+06 3.54E+06 4.17E+06 5-Oxoproline 6.83E+06 3.43E+06 1.70E+06 5.02E+06 3.01E+06 4.54E+06 2.77E+06 1.78E+06 2.93E+06 2.78E+06 5.66E+06 4.43E+06 1.63E+06 3.04E+06 4.12E+06 2.60E+07 2.50E+07 3.57E+07 3.66E+07 4.22E+07 2.53E+07 2.72E+07 2.80E+07 2.54E+07 2.63E+07 3.65E+07 3.26E+07 3.08E+07 2.80E+07 3.40E+07 2.69E+06 2.60E+06 2.61E+06 2.90E+06 3.39E+06 3.65E+06 2.77E+06 3.75E+06 2.67E+06 3.28E+06 1.85E+06 2.63E+06 2.09E+06 2.16E+06 1.86E+06 3.69E+06 2.43E+06 1.73E+06 3.95E+06 2.21E+06 2.51E+06 2.42E+06 2.36E+06 2.19E+06 2.80E+06 2.85E+06 2.54E+06 2.03E+06 1.91E+06 2.13E+06 S-Glutathionyl-L-cysteine 0.00E+00 0.00E+00 0.00E+00 0.00E+00 7.25E+03 0.00E+00 6.55E+03 0.00E+00 1.53E+04 5.61E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 9.82E+04 9.50E+04 1.21E+05 1.71E+05 2.42E+05 6.45E+04 8.88E+04 5.66E+04 9.25E+04 9.86E+04 1.39E+05 1.48E+05 8.47E+04 1.29E+05 1.52E+05 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.55E+03 2.34E+03 0.00E+00 0.00E+00 0.00E+00 1.17E+03 0.00E+00 0.00E+00 0.00E+00 4.09E+03 0.00E+00 1.07E+04 5.02E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 1.32E+04 Cys-Gly 1.37E+05 9.00E+04 5.67E+04 1.03E+05 7.81E+04 1.20E+05 2.13E+04 5.82E+04 5.52E+04 7.30E+04 1.11E+05 8.34E+04 4.22E+04 6.95E+04 7.89E+04 3.14E+05 2.83E+05 2.94E+05 3.05E+05 1.75E+05 2.02E+05 2.31E+05 2.15E+05 2.04E+05 2.08E+05 2.22E+05 2.50E+05 2.11E+05 2.47E+05 2.79E+05 7.24E+04 1.22E+05 6.87E+04 7.67E+04 8.75E+04 7.00E+04 5.81E+04 1.26E+05 3.26E+04 1.10E+05 3.46E+04 1.02E+05 1.99E+04 6.46E+04 3.94E+04 4.75E+04 4.94E+04 4.00E+04 6.23E+04 5.55E+04 6.64E+04 7.01E+04 8.47E+04 5.95E+04 7.87E+04 6.18E+04 4.10E+04 9.82E+04 6.31E+04 8.16E+04 gamma-Glutamyl-Se-methylselenocysteine 3.34E+04 4.03E+04 9.07E+03 4.39E+04 2.37E+04 4.64E+04 3.74E+04 4.31E+03 5.71E+04 2.63E+04 8.30E+04 5.20E+04 2.60E+04 5.24E+04 5.77E+04 1.14E+04 5.46E+03 8.10E+03 5.98E+03 1.03E+04 3.61E+03 0.00E+00 7.23E+03 4.20E+03 5.21E+03 0.00E+00 0.00E+00 8.62E+03 5.30E+03 4.52E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.81E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 3.79E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 gamma-L-Glutamyl-D-alanine 2.60E+05 1.18E+05 4.29E+04 1.65E+05 9.87E+04 5.69E+05 5.36E+04 1.95E+05 1.02E+05 3.34E+05 2.95E+05 2.60E+05 5.85E+04 1.39E+05 2.13E+05 3.04E+05 3.03E+05 3.16E+05 3.69E+05 2.00E+05 2.03E+05 3.06E+05 3.19E+05 2.50E+05 2.25E+05 1.94E+05 2.14E+05 3.33E+05 2.06E+05 2.48E+05 3.05E+04 2.99E+04 2.35E+04 3.12E+04 3.63E+04 1.53E+04 4.63E+03 7.96E+03 4.79E+03 1.14E+04 1.28E+04 2.34E+04 1.09E+04 1.92E+04 1.25E+04 7.63E+03 5.09E+03 0.00E+00 4.55E+03 0.00E+00 1.85E+04 2.76E+04 1.69E+04 2.33E+04 2.02E+04 2.45E+03 2.67E+03 0.00E+00 7.88E+03 4.40E+03 gamma-Glutamyl-gamma-aminobutyrate 2.15E+05 1.36E+05 5.97E+04 1.61E+05 1.19E+05 7.25E+05 8.65E+04 3.67E+05 1.01E+05 4.98E+05 2.61E+05 3.05E+05 1.10E+05 2.00E+05 2.46E+05 4.27E+04 3.43E+04 7.96E+04 7.32E+04 5.69E+04 4.62E+04 4.97E+04 5.78E+04 4.73E+04 6.74E+04 4.74E+04 5.36E+04 3.10E+04 3.69E+04 5.91E+04 4.57E+03 9.68E+03 1.37E+03 5.23E+03 6.68E+03 2.42E+03 4.17E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 7.15E+03 9.53E+02 5.52E+03 3.30E+03 3.94E+03 0.00E+00 0.00E+00 1.29E+03 4.00E+03 2.98E+03 6.38E+03 0.00E+00 3.73E+03 5.17E+03 0.00E+00 4.73E+03 6.00E+03 5.32E+03 0.00E+00 gamma-L-Glutamylputrescine 6.08E+05 4.41E+05 1.93E+05 4.66E+05 3.68E+05 9.00E+05 3.49E+05 7.32E+05 5.51E+05 9.00E+05 1.04E+06 8.35E+05 4.30E+05 6.69E+05 7.86E+05 2.83E+04 3.05E+04 2.83E+04 3.37E+04 2.84E+04 1.87E+04 2.80E+04 2.59E+04 2.69E+04 1.96E+04 1.38E+04 1.78E+04 3.46E+04 2.12E+04 2.13E+04 1.60E+04 1.70E+04 2.03E+04 1.40E+04 1.91E+04 9.46E+03 1.27E+04 9.21E+03 8.09E+03 1.30E+04 1.22E+04 1.39E+04 6.07E+03 1.24E+04 1.04E+04 2.51E+03 2.47E+03 5.94E+03 5.06E+03 6.32E+03 9.79E+03 9.62E+03 1.09E+04 6.56E+03 1.00E+04 7.97E+03 3.80E+03 5.97E+03 6.34E+03 9.72E+03 Dimethylglycine 2.60E+05 0.00E+00 1.41E+05 2.35E+05 2.10E+05 4.43E+05 1.69E+05 2.93E+05 2.15E+05 4.86E+05 2.98E+05 3.39E+05 1.85E+05 2.48E+05 3.16E+05 1.48E+06 1.56E+06 1.89E+06 1.79E+06 1.56E+06 1.28E+06 1.70E+06 1.87E+06 1.54E+06 1.43E+06 9.67E+05 1.11E+06 1.41E+06 1.12E+06 1.06E+06 3.06E+05 3.34E+05 3.09E+05 3.11E+05 3.19E+05 5.41E+05 4.61E+05 4.50E+05 5.39E+05 5.18E+05 1.49E+05 2.03E+05 1.46E+05 1.01E+05 8.47E+04 3.02E+05 2.87E+05 2.06E+05 3.07E+05 2.92E+05 2.12E+05 2.27E+05 2.52E+05 1.91E+05 2.67E+05 3.52E+05 3.43E+05 2.53E+05 2.88E+05 3.56E+05 Phosphoserine 2.38E+04 1.82E+04 1.03E+03 2.19E+04 3.03E+03 1.60E+04 6.71E+03 0.00E+00 3.85E+03 0.00E+00 1.69E+04 1.69E+04 2.62E+03 6.29E+03 1.00E+04 7.74E+04 8.23E+04 8.22E+04 9.91E+04 7.19E+04 3.79E+04 7.90E+04 7.51E+04 2.63E+04 5.54E+04 7.39E+04 1.90E+04 8.87E+04 8.01E+04 7.06E+04 2.51E+04 2.06E+04 1.75E+04 2.51E+04 3.52E+04 8.07E+03 3.85E+03 7.81E+03 1.40E+04 8.53E+03 2.61E+03 1.55E+04 1.35E+04 7.50E+03 4.25E+03 4.71E+03 6.02E+03 2.47E+03 9.69E+02 1.83E+03 1.87E+04 1.74E+04 1.18E+04 1.45E+04 2.93E+04 0.00E+00 5.16E+03 2.56E+03 0.00E+00 3.76E+03 S-Adenosyl-L-methionine 1.76E+04 2.20E+04 1.88E+04 2.20E+04 7.69E+03 2.53E+04 3.23E+04 2.61E+04 1.04E+04 1.37E+04 2.32E+04 2.21E+04 1.06E+04 1.82E+04 2.24E+04 2.38E+04 3.84E+04 2.50E+04 2.11E+04 2.41E+04 2.53E+04 3.32E+04 3.08E+04 3.44E+04 2.89E+04 2.49E+04 2.12E+04 4.21E+04 3.26E+04 3.32E+04 3.90E+04 4.50E+04 2.64E+04 3.72E+04 2.83E+04 1.24E+04 5.83E+03 9.34E+03 8.80E+03 1.35E+04 2.11E+04 3.13E+04 1.41E+04 2.09E+04 2.14E+04 4.39E+03 4.42E+03 5.34E+03 5.82E+03 6.45E+03 1.85E+04 3.28E+04 3.13E+04 2.34E+04 2.24E+04 1.28E+04 1.02E+04 9.52E+03 9.15E+03 1.18E+04 Folate 2.96E+03 5.59E+03 1.18E+04 3.93E+03 8.15E+03 5.91E+03 6.50E+03 1.01E+04 9.27E+03 8.95E+03 4.20E+03 2.13E+03 1.25E+04 8.45E+03 0.00E+00 7.64E+04 1.00E+05 1.34E+05 1.19E+05 3.00E+05 4.69E+04 8.20E+04 6.24E+04 8.63E+04 5.72E+04 1.51E+05 1.47E+05 8.28E+04 1.01E+05 1.18E+05 1.32E+04 2.41E+04 1.58E+04 1.19E+04 1.13E+04 4.74E+04 3.07E+04 5.28E+04 4.59E+04 4.05E+04 1.68E+04 1.72E+04 2.01E+04 1.44E+04 1.37E+04 5.73E+04 3.15E+04 2.74E+04 6.64E+04 2.75E+04 2.53E+04 1.98E+04 2.08E+04 1.31E+04 1.80E+04 5.16E+04 3.28E+04 4.77E+04 1.47E+04 2.30E+04 Ornithine 6.47E+04 7.16E+04 0.00E+00 9.05E+04 7.23E+04 1.22E+05 5.88E+04 4.44E+04 6.36E+05 9.05E+04 1.18E+05 8.40E+04 5.41E+04 5.96E+04 8.34E+04 1.60E+05 1.33E+05 1.73E+05 1.49E+05 1.70E+05 1.67E+05 4.34E+05 1.83E+05 1.69E+05 2.31E+05 1.51E+05 1.82E+05 1.36E+05 1.40E+05 1.51E+05 4.93E+04 4.63E+04 3.85E+04 3.64E+04 5.16E+04 4.62E+04 4.88E+04 5.04E+04 4.26E+04 9.61E+04 3.73E+04 3.93E+04 1.02E+05 3.92E+04 3.66E+04 4.47E+04 0.00E+00 3.65E+04 4.21E+04 3.95E+04 3.71E+04 3.78E+04 3.86E+04 3.70E+04 3.71E+04 4.13E+04 4.54E+04 4.34E+04 3.64E+04 4.66E+04 L-Citrulline 2.04E+04 4.34E+04 3.34E+03 9.99E+04 2.30E+04 5.72E+04 3.58E+04 3.97E+03 4.71E+04 5.76E+04 1.89E+04 4.70E+04 1.16E+04 2.69E+04 5.76E+03 1.11E+05 1.09E+05 1.30E+05 1.85E+05 1.92E+05 1.43E+05 1.39E+05 1.39E+05 1.01E+05 8.37E+04 1.01E+05 1.25E+05 1.48E+05 1.27E+05 1.31E+05 4.42E+03 5.97E+03 2.85E+03 0.00E+00 6.53E+03 4.18E+03 0.00E+00 1.74E+03 2.70E+03 1.11E+04 1.77E+03 1.37E+04 6.30E+03 3.63E+03 0.00E+00 3.30E+03 0.00E+00 1.38E+03 3.63E+03 0.00E+00 1.11E+04 0.00E+00 8.82E+03 3.58E+03 6.18E+03 2.04E+03 5.51E+03 0.00E+00 2.16E+03 0.00E+00 Putrescine 3.06E+04 4.05E+04 5.07E+04 2.52E+04 4.58E+04 3.91E+04 4.09E+04 3.96E+04 2.42E+04 5.63E+04 3.57E+04 3.63E+04 3.88E+04 3.69E+04 3.13E+04 4.36E+04 5.20E+04 4.63E+04 4.17E+04 6.53E+04 3.87E+04 6.21E+04 5.88E+04 4.26E+04 3.95E+04 4.41E+04 3.80E+04 4.48E+04 4.59E+04 3.17E+04 7.04E+04 1.16E+05 9.21E+04 6.20E+04 6.17E+04 3.62E+04 3.64E+04 3.63E+04 2.90E+04 3.27E+04 5.92E+04 5.94E+04 4.57E+04 5.43E+04 6.10E+04 2.68E+04 2.84E+04 2.45E+04 2.87E+04 2.62E+04 6.75E+04 7.18E+04 8.02E+04 5.43E+04 5.07E+04 2.99E+04 2.71E+04 3.37E+04 2.85E+04 2.59E+04 Spermidine 4.15E+04 7.33E+04 1.66E+05 2.23E+04 7.41E+04 1.96E+05 9.47E+04 4.39E+05 9.67E+04 2.41E+05 1.14E+05 8.76E+04 2.75E+05 1.06E+05 1.31E+05 9.08E+04 1.23E+05 1.16E+05 1.42E+05 3.74E+05 7.15E+04 1.49E+05 9.96E+04 1.23E+05 7.07E+04 1.31E+05 9.22E+04 1.04E+05 1.48E+05 1.13E+05 1.69E+05 2.94E+05 2.11E+05 1.12E+05 1.37E+05 1.78E+05 1.90E+05 3.09E+05 2.45E+05 1.80E+05 1.41E+05 1.19E+05 9.21E+04 9.38E+04 1.56E+05 8.29E+04 1.48E+05 1.14E+05 1.86E+05 1.69E+05 2.00E+05 1.56E+05 2.43E+05 1.20E+05 4.48E+04 1.68E+05 1.09E+05 2.05E+05 1.56E+05 1.07E+05 Spermine 1.76E+04 2.90E+04 2.24E+04 6.67E+03 2.35E+04 3.34E+04 2.93E+04 4.29E+04 2.51E+04 3.00E+04 3.83E+04 3.88E+04 4.86E+04 3.11E+04 4.39E+04 2.02E+04 3.90E+04 2.80E+04 2.65E+04 5.01E+04 8.05E+03 2.19E+04 8.32E+03 1.93E+04 7.77E+03 1.80E+04 1.02E+04 1.73E+04 2.17E+04 1.49E+04 1.90E+04 1.81E+04 1.70E+04 5.52E+03 1.40E+04 2.74E+04 1.59E+04 4.34E+04 6.32E+04 2.59E+04 1.38E+04 2.14E+03 8.15E+03 2.63E+04 1.47E+04 1.14E+04 4.50E+04 1.44E+04 2.35E+04 3.87E+04 2.24E+04 1.37E+04 1.80E+05 1.36E+04 8.88E+03 2.61E+04 1.47E+04 1.16E+04 2.52E+04 1.22E+04 Carnosine 2.14E+05 1.26E+05 5.23E+04 1.66E+05 1.10E+05 3.22E+05 1.25E+05 1.70E+05 1.48E+05 2.56E+05 2.41E+05 2.51E+05 1.19E+05 1.65E+05 2.22E+05 5.31E+04 6.83E+04 6.73E+04 7.32E+04 6.95E+04 3.85E+04 4.33E+04 5.19E+04 5.00E+04 4.08E+04 4.93E+04 4.05E+04 6.00E+04 6.17E+04 5.01E+04 9.96E+03 8.72E+03 1.16E+04 1.13E+04 7.45E+03 5.29E+03 5.21E+03 2.60E+03 2.58E+03 5.06E+03 4.36E+03 3.51E+03 5.39E+03 5.18E+03 4.17E+03 0.00E+00 0.00E+00 2.17E+03 6.01E+03 1.72E+03 5.91E+03 5.96E+03 4.74E+03 5.73E+03 7.88E+03 2.85E+03 3.10E+03 4.75E+03 3.94E+03 3.94E+03 Phosphocreatine 3.14E+05 6.15E+05 6.09E+05 4.06E+05 7.00E+05 1.55E+06 1.27E+06 1.02E+06 1.30E+06 9.10E+05 9.23E+05 1.12E+06 1.09E+06 7.67E+05 1.22E+06 7.21E+06 4.29E+06 4.85E+06 5.50E+06 4.30E+06 3.78E+06 9.44E+06 8.86E+06 5.84E+06 5.46E+06 6.07E+06 5.95E+06 5.40E+06 8.04E+06 5.63E+06 3.69E+06 3.77E+06 3.69E+06 3.78E+06 4.74E+06 3.79E+06 3.45E+06 3.29E+06 3.65E+06 4.01E+06 2.58E+06 3.08E+06 2.50E+06 2.89E+06 2.50E+06 3.07E+06 3.09E+06 2.47E+06 3.20E+06 3.23E+06 3.65E+06 3.93E+06 2.93E+06 3.62E+06 4.43E+06 3.22E+06 3.19E+06 2.90E+06 3.07E+06 3.39E+06 Creatine 6.16E+07 5.32E+07 2.70E+07 5.92E+07 3.71E+07 5.70E+07 3.00E+07 2.17E+07 3.29E+07 4.31E+07 8.77E+07 5.05E+07 2.95E+07 4.64E+07 6.32E+07 1.56E+08 1.57E+08 2.04E+08 2.12E+08 1.64E+08 1.12E+08 1.12E+08 1.41E+08 1.33E+08 1.10E+08 1.15E+08 1.11E+08 1.57E+08 1.26E+08 1.40E+08 5.86E+07 4.74E+07 4.01E+07 4.86E+07 5.89E+07 7.14E+07 5.79E+07 6.22E+07 7.10E+07 6.80E+07 2.29E+07 3.34E+07 1.87E+07 2.92E+07 2.72E+07 3.72E+07 4.15E+07 2.95E+07 5.07E+07 4.20E+07 3.87E+07 4.08E+07 3.81E+07 3.27E+07 4.29E+07 4.90E+07 4.28E+07 4.78E+07 4.79E+07 4.49E+07 Creatinine 2.59E+05 2.31E+05 1.96E+05 3.20E+05 2.77E+05 3.22E+05 2.29E+05 2.07E+05 3.57E+05 2.67E+05 3.65E+05 2.78E+05 1.80E+05 2.46E+05 3.06E+05 4.07E+06 1.33E+06 1.97E+06 1.63E+06 3.21E+06 8.44E+05 1.19E+06 1.11E+06 1.09E+06 1.03E+06 1.62E+06 1.46E+06 1.41E+06 1.44E+06 1.48E+06 1.96E+05 1.77E+05 1.40E+05 1.84E+05 2.08E+05 2.38E+05 2.09E+05 2.52E+05 2.61E+05 2.71E+05 1.04E+05 1.81E+05 1.08E+05 1.17E+05 1.16E+05 1.55E+05 1.54E+05 1.20E+05 2.05E+05 1.50E+05 1.50E+05 1.35E+05 1.45E+05 1.25E+05 1.49E+05 1.53E+05 1.53E+05 2.26E+05 1.63E+05 1.51E+05 4-Acetamidobutanoate 1.16E+04 2.10E+04 1.26E+04 1.51E+04 1.12E+04 2.01E+04 3.33E+05 1.56E+04 1.08E+04 1.89E+04 1.30E+04 1.04E+04 1.46E+04 1.51E+04 1.39E+04 1.62E+04 2.44E+04 1.58E+04 1.42E+04 2.48E+04 1.38E+04 1.72E+04 1.48E+04 0.00E+00 1.26E+04 1.64E+04 1.81E+04 1.65E+04 2.15E+04 1.65E+04 4.32E+04 8.84E+05 2.15E+05 1.98E+05 1.39E+05 8.22E+04 1.83E+05 1.14E+06 1.36E+05 4.37E+05 2.50E+04 1.74E+06 8.49E+04 1.92E+05 9.10E+04 1.15E+05 3.15E+05 8.80E+04 6.22E+04 3.86E+05 1.09E+05 8.85E+04 3.37E+05 1.51E+05 4.92E+04 1.58E+05 1.27E+05 1.33E+06 8.39E+04 9.97E+04 Guanidinoacetate 7.04E+04 6.77E+04 4.14E+04 8.12E+04 6.25E+04 5.38E+04 3.58E+04 2.70E+04 3.88E+04 3.55E+04 6.30E+04 4.68E+04 3.28E+04 3.79E+04 3.57E+04 4.33E+05 3.50E+05 5.38E+05 5.07E+05 3.31E+05 2.67E+05 3.73E+05 3.51E+05 2.91E+05 2.89E+05 3.42E+05 2.56E+05 3.57E+05 2.36E+05 3.20E+05 8.52E+04 6.20E+04 8.03E+04 5.61E+04 6.61E+04 8.60E+04 6.72E+04 8.83E+04 9.14E+04 9.96E+04 2.74E+04 3.90E+04 2.38E+04 2.94E+04 3.31E+04 4.63E+04 3.63E+04 3.09E+04 4.21E+04 4.35E+04 7.68E+04 7.69E+04 7.35E+04 6.51E+04 1.03E+05 9.34E+04 6.92E+04 6.50E+04 7.38E+04 9.42E+04 trans-4-Hydroxy-L-proline 2.08E+04 2.31E+04 2.11E+04 1.56E+04 1.92E+04 2.44E+04 0.00E+00 2.18E+04 1.57E+04 2.55E+04 1.81E+04 1.54E+04 2.14E+04 2.38E+04 2.03E+04 5.77E+04 6.73E+04 5.70E+04 1.28E+05 1.23E+05 1.07E+05 8.83E+04 7.22E+04 7.12E+04 9.39E+04 9.90E+04 1.58E+05 9.78E+04 1.24E+05 1.25E+05 2.12E+04 3.10E+04 2.40E+04 1.90E+04 2.21E+04 2.55E+04 2.06E+04 2.06E+04 2.47E+04 2.42E+04 2.06E+04 0.00E+00 2.21E+04 3.35E+04 2.67E+04 2.34E+04 2.55E+04 2.08E+04 2.26E+04 2.71E+04 2.32E+04 2.73E+04 2.79E+04 2.21E+04 1.05E+04 2.90E+04 2.02E+04 8.96E+04 1.97E+04 2.16E+04 Pantothenate 1.71E+04 1.51E+04 2.77E+04 2.54E+04 3.53E+04 2.11E+04 3.05E+04 4.45E+04 3.26E+04 2.61E+04 2.64E+04 2.40E+04 3.71E+04 3.19E+04 2.54E+04 2.27E+05 2.65E+05 3.01E+05 2.44E+05 7.25E+05 1.61E+05 1.96E+05 1.65E+05 1.51E+05 1.99E+05 2.71E+05 2.22E+05 2.33E+05 2.87E+05 2.57E+05 4.33E+04 1.29E+05 2.86E+04 4.62E+04 2.33E+04 1.59E+05 7.49E+04 1.09E+05 9.27E+04 1.01E+05 3.82E+04 1.09E+05 5.49E+04 1.30E+04 3.35E+04 1.03E+05 8.20E+04 5.97E+04 9.59E+04 5.36E+04 4.29E+04 3.34E+04 6.19E+04 3.93E+04 3.61E+04 8.29E+04 6.94E+04 9.65E+04 5.82E+04 7.90E+04 Pantetheine 4--phosphate 1.89E+04 1.04E+04 7.56E+03 1.57E+04 1.38E+04 8.06E+03 1.01E+04 5.41E+03 9.59E+03 1.14E+04 1.31E+04 1.07E+04 8.74E+03 1.10E+04 1.22E+04 2.22E+04 2.35E+04 2.29E+04 2.80E+04 2.27E+04 1.54E+04 1.36E+04 1.32E+04 1.63E+04 1.36E+04 1.75E+04 1.21E+04 2.10E+04 1.69E+04 1.66E+04 3.59E+03 2.26E+03 1.27E+03 1.50E+03 0.00E+00 1.04E+04 3.65E+03 2.42E+03 1.52E+03 4.57E+03 1.29E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 2.70E+03 1.91E+03 0.00E+00 2.95E+03 0.00E+00 1.23E+03 1.65E+03 1.05E+03 1.85E+03 1.26E+03 4.91E+03 4.62E+03 1.82E+03 2.92E+03 1.57E+03 Taurine 6.38E+06 5.17E+06 1.80E+06 5.58E+06 2.87E+06 6.04E+06 2.97E+06 1.62E+06 2.93E+06 2.56E+06 4.87E+06 4.61E+06 1.85E+06 3.69E+06 3.94E+06 2.17E+07 2.48E+07 2.14E+07 2.21E+07 8.31E+06 2.30E+07 2.21E+07 2.40E+07 2.59E+07 2.40E+07 1.54E+07 1.49E+07 2.16E+07 1.69E+07 1.83E+07 6.49E+06 5.70E+06 6.20E+06 6.23E+06 6.80E+06 5.10E+06 4.03E+06 4.70E+06 5.16E+06 4.78E+06 3.69E+06 4.70E+06 3.94E+06 4.57E+06 3.84E+06 2.99E+06 3.85E+06 2.88E+06 3.78E+06 3.57E+06 5.39E+06 5.80E+06 5.83E+06 5.08E+06 6.78E+06 3.11E+06 2.97E+06 3.54E+06 3.39E+06 3.36E+06 Hypotaurine 5.40E+05 2.48E+05 1.30E+05 3.76E+05 2.27E+05 3.32E+05 1.92E+05 1.08E+05 1.73E+05 1.50E+05 3.64E+05 3.11E+05 1.01E+05 1.95E+05 2.55E+05 1.32E+06 1.23E+06 1.63E+06 1.55E+06 8.08E+05 1.09E+06 1.22E+06 1.47E+06 1.20E+06 1.34E+06 1.03E+06 9.63E+05 1.54E+06 9.56E+05 1.12E+06 5.19E+05 3.70E+05 4.10E+05 4.44E+05 5.53E+05 3.65E+05 3.01E+05 2.90E+05 3.26E+05 3.00E+05 2.19E+05 3.20E+05 2.11E+05 2.19E+05 2.23E+05 1.76E+05 1.76E+05 1.63E+05 2.14E+05 1.82E+05 3.87E+05 4.08E+05 3.68E+05 3.49E+05 5.35E+05 1.93E+05 2.17E+05 2.36E+05 2.15E+05 2.51E+05 L-Methionine S-oxide 7.29E+04 2.05E+05 1.80E+05 1.24E+05 1.52E+05 1.88E+05 1.48E+05 1.91E+05 2.07E+05 4.05E+05 1.68E+05 1.22E+05 2.78E+05 1.90E+05 1.98E+05 2.82E+04 2.08E+04 3.74E+04 2.63E+04 9.06E+04 1.35E+04 2.16E+04 1.88E+04 1.79E+04 1.54E+04 3.42E+04 3.56E+04 2.03E+04 4.07E+04 2.26E+04 6.50E+04 8.68E+04 6.96E+04 7.38E+04 5.43E+04 1.10E+05 1.05E+05 1.08E+05 8.26E+04 1.03E+05 5.73E+04 4.70E+04 3.92E+04 3.20E+04 4.81E+04 7.27E+04 8.00E+04 5.14E+04 1.00E+05 8.65E+04 5.79E+04 4.42E+04 5.72E+04 4.11E+04 4.52E+04 9.44E+04 7.99E+04 6.85E+04 5.47E+04 6.26E+04 Indole 1.60E+05 1.68E+05 1.65E+05 2.43E+05 2.32E+05 1.68E+05 1.60E+07 2.31E+05 3.39E+05 1.50E+05 2.47E+05 1.82E+05 1.82E+05 1.61E+05 1.69E+05 2.58E+05 1.82E+05 1.80E+05 3.09E+05 3.33E+05 1.53E+05 3.10E+05 2.88E+05 2.38E+05 1.79E+05 2.13E+05 2.09E+05 2.25E+05 2.39E+05 2.45E+05 4.34E+06 1.92E+07 1.03E+07 9.57E+06 8.20E+06 5.24E+06 7.52E+06 2.37E+07 9.41E+06 1.29E+07 2.68E+06 3.37E+07 5.07E+06 8.22E+06 6.30E+06 6.55E+06 1.41E+07 4.79E+06 4.42E+06 1.17E+07 7.04E+06 5.58E+06 1.23E+07 9.41E+06 4.98E+06 6.16E+06 6.49E+06 2.65E+07 5.47E+06 5.75E+06 Indole-3-acetate 2.74E+03 5.15E+03 5.64E+03 2.78E+03 6.14E+03 2.20E+03 2.16E+04 5.23E+03 2.71E+03 3.25E+03 1.76E+03 2.95E+03 2.42E+03 2.14E+03 2.26E+03 1.79E+05 1.38E+05 2.09E+05 2.71E+05 2.68E+05 1.15E+05 1.52E+05 1.40E+05 1.17E+05 1.15E+05 1.60E+05 1.47E+05 1.62E+05 1.31E+05 1.28E+05 2.07E+04 7.43E+03 4.02E+03 1.27E+04 0.00E+00 5.87E+03 4.76E+03 0.00E+00 2.42E+04 0.00E+00 3.06E+04 9.22E+03 2.42E+04 5.00E+03 1.20E+04 7.95E+03 0.00E+00 1.21E+04 2.87E+04 8.86E+03 8.12E+03 4.00E+03 1.71E+04 5.55E+03 2.25E+04 7.48E+03 1.42E+04 0.00E+00 2.18E+04 8.68E+03 Indoxyl 5.86E+04 3.95E+04 3.09E+04 5.70E+04 4.68E+04 8.45E+04 2.48E+04 7.53E+04 4.22E+04 8.41E+04 5.21E+04 5.33E+04 3.30E+04 4.37E+04 4.99E+04 8.66E+04 9.51E+04 9.73E+04 9.68E+04 1.96E+05 5.59E+04 7.39E+04 7.42E+04 6.52E+04 7.81E+04 9.22E+04 7.44E+04 6.13E+04 7.78E+04 9.35E+04 2.25E+04 3.39E+04 2.18E+04 2.70E+04 1.66E+04 4.17E+04 3.11E+04 3.88E+04 3.58E+04 4.11E+04 2.08E+04 1.74E+04 1.73E+04 3.10E+04 2.85E+04 4.53E+04 3.12E+04 3.41E+04 4.43E+04 3.66E+04 3.68E+04 3.15E+04 3.13E+04 2.12E+04 2.39E+04 3.99E+04 3.45E+04 2.26E+04 2.45E+04 2.34E+04 Picolinic acid 2.42E+05 1.78E+05 1.87E+05 2.39E+05 2.83E+05 3.05E+05 5.34E+05 5.55E+05 3.20E+05 2.29E+05 4.65E+05 4.77E+05 2.23E+05 4.21E+05 3.24E+05 8.19E+05 2.61E+05 4.95E+05 6.12E+05 8.62E+05 4.58E+05 3.94E+05 5.04E+05 2.87E+05 4.81E+05 5.88E+05 6.04E+05 4.53E+05 4.23E+05 4.02E+05 4.12E+05 4.22E+05 5.83E+05 5.38E+05 5.06E+05 3.38E+05 6.98E+05 7.37E+05 4.79E+05 4.81E+05 4.21E+05 4.94E+05 3.00E+05 1.91E+05 2.40E+05 3.95E+05 3.04E+05 3.33E+05 3.05E+05 1.87E+05 4.08E+05 3.82E+05 3.21E+05 4.44E+05 3.60E+05 2.48E+05 5.17E+05 4.22E+05 3.81E+05 3.92E+05 g-Oxalo-crotonate 3.83E+05 5.07E+05 4.89E+05 4.64E+05 6.65E+05 3.06E+05 2.94E+05 2.51E+05 4.78E+05 3.84E+05 5.13E+05 4.61E+05 4.61E+05 4.75E+05 5.48E+05 1.30E+04 1.30E+04 1.14E+04 1.53E+04 1.01E+05 5.88E+03 9.83E+03 0.00E+00 1.55E+04 0.00E+00 1.53E+04 9.66E+03 0.00E+00 0.00E+00 1.11E+04 3.77E+05 3.88E+05 2.55E+05 3.19E+05 4.01E+05 3.55E+05 4.04E+05 3.45E+05 4.61E+05 3.97E+05 1.83E+05 1.67E+05 1.34E+05 1.99E+05 2.15E+05 2.69E+05 2.53E+05 1.36E+05 3.64E+05 2.28E+05 3.03E+05 3.10E+05 2.85E+05 2.28E+05 2.88E+05 2.43E+05 2.06E+05 2.47E+05 3.23E+05 2.51E+05 8-Methoxykynurenate 5.44E+03 6.57E+03 3.49E+03 1.41E+03 3.65E+03 4.82E+03 0.00E+00 2.62E+03 6.33E+03 9.31E+03 1.23E+04 1.34E+04 5.38E+03 7.15E+03 9.55E+03 7.47E+04 7.44E+04 4.51E+04 8.67E+04 7.55E+04 1.19E+04 8.77E+04 7.37E+04 5.87E+04 9.73E+03 3.70E+04 4.31E+04 8.80E+04 5.29E+04 2.49E+04 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 0.00E+00 L-Adrenaline 2.21E+04 7.88E+03 2.02E+04 1.73E+04 1.70E+04 0.00E+00 5.96E+05 1.11E+04 7.82E+03 2.12E+04 1.25E+04 5.84E+03 1.09E+04 1.09E+04 1.47E+04 1.57E+04 1.49E+04 3.29E+04 1.92E+04 2.96E+04 2.81E+04 3.41E+04 2.22E+04 3.76E+04 1.10E+04 2.65E+04 2.60E+04 2.11E+04 1.31E+04 2.64E+04 1.08E+05 1.52E+06 4.65E+05 3.51E+05 2.99E+05 1.79E+05 2.85E+05 1.71E+06 2.89E+05 7.91E+05 5.84E+04 2.85E+06 1.90E+05 3.99E+05 2.28E+05 2.10E+05 5.62E+05 1.60E+05 1.27E+05 6.48E+05 2.34E+05 1.89E+05 5.55E+05 3.02E+05 1.15E+05 2.76E+05 2.27E+05 2.31E+06 1.63E+05 1.74E+05 Sphingosine 7.20E+05 6.56E+05 7.43E+05 8.61E+05 7.94E+05 4.67E+05 2.71E+05 6.82E+05 5.94E+05 6.14E+05 7.43E+05 6.45E+05 6.52E+05 5.80E+05 6.67E+05 5.95E+05 3.98E+05 7.51E+05 7.93E+05 7.06E+05 3.94E+05 5.53E+05 5.62E+05 4.01E+05 4.59E+05 6.40E+05 5.35E+05 6.44E+05 5.89E+05 6.27E+05 2.07E+05 1.64E+05 1.85E+05 1.95E+05 2.20E+05 2.28E+05 2.71E+05 1.66E+05 2.10E+05 1.55E+05 2.98E+05 1.50E+05 1.71E+05 1.06E+05 1.93E+05 1.70E+05 1.43E+05 1.32E+05 2.16E+05 1.49E+05 2.14E+05 2.17E+05 1.62E+05 2.15E+05 2.02E+05 1.77E+05 2.09E+05 1.25E+05 1.72E+05 2.03E+05 Acetylcholine 1.71E+06 1.80E+06 1.18E+06 2.09E+06 1.89E+06 1.97E+06 1.67E+06 1.51E+06 1.85E+06 1.58E+06 2.26E+06 2.08E+06 1.53E+06 2.19E+06 2.06E+06 4.09E+06 4.87E+06 5.26E+06 4.60E+06 4.26E+06 3.67E+06 3.39E+06 3.93E+06 3.92E+06 4.01E+06 3.50E+06 3.03E+06 3.93E+06 3.53E+06 4.20E+06 4.27E+06 4.38E+06 3.80E+06 4.10E+06 4.41E+06 5.17E+06 3.76E+06 4.26E+06 4.70E+06 3.13E+06 2.16E+06 2.36E+06 1.76E+06 2.15E+06 2.37E+06 2.55E+06 2.52E+06 1.86E+06 2.29E+06 2.01E+06 3.19E+06 3.11E+06 2.75E+06 2.07E+06 4.55E+06 2.61E+06 2.35E+06 2.02E+06 2.42E+06 2.17E+06 L-Carnitine 4.79E+06 5.55E+06 4.78E+06 5.99E+06 5.98E+06 5.79E+06 5.00E+06 5.49E+06 5.94E+06 5.13E+06 6.77E+06 5.28E+06 5.86E+06 6.68E+06 6.25E+06 9.58E+06 1.20E+07 1.36E+07 1.39E+07 1.11E+07 9.04E+06 1.08E+07 1.13E+07 1.21E+07 9.25E+06 9.05E+06 8.12E+06 1.12E+07 1.12E+07 1.09E+07 5.76E+06 5.93E+06 4.76E+06 4.75E+06 4.89E+06 5.23E+06 4.05E+06 4.68E+06 5.04E+06 4.18E+06 2.82E+06 3.15E+06 2.26E+06 2.77E+06 3.02E+06 2.79E+06 3.02E+06 1.98E+06 3.45E+06 2.95E+06 3.62E+06 3.35E+06 3.02E+06 2.22E+06 2.92E+06 2.87E+06 1.87E+06 2.70E+06 2.81E+06 2.34E+06 acetyl-carnitine (acyl-C2) 4.71E+06 5.27E+06 5.28E+06 5.72E+06 5.32E+06 4.03E+06 3.62E+06 3.89E+06 3.80E+06 3.86E+06 5.07E+06 4.33E+06 4.43E+06 4.37E+06 3.88E+06 2.40E+06 2.60E+06 3.01E+06 3.53E+06 3.00E+06 2.39E+06 1.65E+06 1.65E+06 2.18E+06 2.36E+06 1.77E+06 1.40E+06 2.03E+06 1.77E+06 1.98E+06 2.05E+07 2.01E+07 1.64E+07 1.82E+07 2.01E+07 1.54E+07 1.38E+07 1.04E+07 1.57E+07 1.62E+07 1.50E+07 8.73E+06 1.07E+07 1.11E+07 1.41E+07 1.19E+07 9.60E+06 8.73E+06 1.22E+07 1.12E+07 1.99E+07 1.96E+07 1.48E+07 1.27E+07 1.40E+07 1.09E+07 1.10E+07 8.78E+06 1.13E+07 9.72E+06 propionyl-carnitine (acyl-C3) 8.82E+05 1.03E+06 1.05E+06 9.58E+05 1.08E+06 1.35E+06 1.27E+06 1.54E+06 1.22E+06 1.27E+06 1.53E+06 1.21E+06 1.48E+06 1.20E+06 1.31E+06 1.90E+05 1.91E+05 3.35E+05 3.68E+05 4.16E+05 1.26E+05 1.64E+05 1.74E+05 1.55E+05 1.48E+05 2.00E+05 1.58E+05 2.23E+05 1.92E+05 2.32E+05 2.74E+06 2.53E+06 1.65E+06 2.13E+06 2.40E+06 3.20E+06 2.42E+06 2.02E+06 2.69E+06 2.98E+06 1.37E+06 9.11E+05 8.48E+05 1.36E+06 1.29E+06 1.85E+06 1.21E+06 1.13E+06 1.65E+06 1.59E+06 1.88E+06 1.72E+06 1.25E+06 1.03E+06 1.18E+06 1.60E+06 1.54E+06 1.25E+06 1.39E+06 1.50E+06 butanoyl-l-carnitine (acyl-C4) 3.35E+04 5.87E+04 5.36E+04 3.57E+04 6.31E+04 5.54E+04 5.70E+04 2.87E+04 3.05E+04 5.73E+04 8.39E+04 3.33E+04 6.12E+04 1.91E+04 5.61E+04 4.47E+04 8.26E+04 1.37E+05 1.03E+05 1.60E+05 3.09E+04 7.98E+04 6.26E+04 7.82E+04 3.45E+04 8.79E+04 4.32E+04 7.34E+04 9.08E+04 9.63E+04 1.87E+05 1.85E+05 9.28E+04 1.09E+05 1.16E+05 1.10E+05 6.32E+04 7.44E+04 6.20E+04 1.16E+05 6.34E+04 8.25E+04 5.82E+03 9.28E+04 9.14E+04 7.24E+04 7.61E+04 1.92E+04 1.14E+05 1.21E+05 1.85E+05 1.78E+05 1.40E+05 1.11E+05 1.33E+05 7.65E+04 4.25E+04 1.21E+05 7.13E+04 7.46E+04 acyl-C5:1 (Tiglylcarnitine) 2.20E+04 3.23E+04 2.78E+04 2.77E+04 2.26E+04 3.34E+04 5.23E+07 3.42E+04 3.68E+04 2.67E+04 1.83E+04 4.05E+04 2.20E+04 2.27E+04 1.64E+04 3.48E+04 2.62E+04 3.83E+04 3.57E+04 1.53E+04 3.30E+04 3.16E+04 2.74E+04 3.11E+04 2.27E+04 3.88E+04 7.60E+04 2.97E+04 3.30E+04 2.54E+04 1.28E+07 4.42E+07 2.44E+07 2.44E+07 2.41E+07 1.67E+07 1.89E+07 6.26E+07 2.39E+07 3.07E+07 9.54E+06 6.35E+07 1.23E+07 2.80E+07 1.61E+07 1.72E+07 3.01E+07 1.45E+07 1.46E+07 3.45E+07 2.05E+07 1.82E+07 3.74E+07 2.46E+07 1.43E+07 2.11E+07 1.68E+07 6.22E+07 1.72E+07 1.67E+07 acyl-C5-OH (hydroxyisovalerylcarnitine) 6.92E+03 1.21E+04 8.31E+03 0.00E+00 4.86E+03 1.78E+04 1.30E+06 1.21E+04 2.88E+03 8.03E+03 2.74E+03 5.44E+03 2.17E+03 4.92E+03 5.15E+03 1.13E+04 5.24E+03 8.51E+03 1.09E+04 7.98E+03 1.28E+04 1.17E+04 8.42E+03 1.42E+04 8.59E+03 5.12E+03 2.16E+04 1.19E+04 5.12E+03 1.05E+04 3.30E+05 3.00E+06 8.88E+05 8.84E+05 6.90E+05 4.09E+05 5.48E+05 3.37E+06 6.37E+05 1.49E+06 1.51E+05 4.54E+06 3.35E+05 8.99E+05 5.22E+05 4.87E+05 1.43E+06 3.46E+05 3.66E+05 1.53E+06 6.22E+05 4.90E+05 1.25E+06 9.37E+05 3.10E+05 7.03E+05 5.17E+05 4.57E+06 4.66E+05 4.71E+05 hexanoyl-L-carnitine (acyl-C6) 4.19E+04 5.53E+04 7.49E+04 4.48E+04 5.87E+04 7.88E+04 1.15E+06 9.34E+04 6.28E+04 8.70E+04 7.29E+04 6.85E+04 7.75E+04 6.59E+04 6.84E+04 5.33E+04 6.36E+04 6.29E+04 6.57E+04 8.48E+04 3.36E+04 4.59E+04 4.02E+04 4.86E+04 4.07E+04 4.63E+04 4.64E+04 4.82E+04 5.74E+04 5.10E+04 2.25E+05 1.38E+06 5.68E+05 5.22E+05 4.93E+05 3.08E+05 4.91E+05 1.64E+06 4.70E+05 7.86E+05 1.36E+05 2.27E+06 2.49E+05 4.74E+05 3.55E+05 3.56E+05 7.04E+05 2.65E+05 2.44E+05 7.70E+05 3.43E+05 2.83E+05 8.18E+05 5.27E+05 2.92E+05 4.24E+05 3.94E+05 1.86E+06 3.25E+05 3.40E+05 L-octanoylcarnitine (acyl-C8) 1.28E+04 1.29E+04 1.74E+04 1.60E+04 1.27E+04 2.65E+04 3.04E+05 2.07E+04 1.43E+04 2.45E+04 2.04E+04 1.64E+04 1.93E+04 1.97E+04 1.73E+04 1.94E+04 1.20E+04 2.15E+04 2.02E+04 1.34E+04 1.62E+04 9.38E+03 1.54E+04 1.67E+04 1.11E+04 1.54E+04 1.29E+04 1.25E+04 1.65E+04 1.83E+04 1.13E+05 2.28E+05 1.48E+05 1.71E+05 1.49E+05 1.19E+05 1.53E+05 2.49E+05 1.48E+05 1.69E+05 7.26E+04 3.52E+05 7.78E+04 1.67E+05 9.41E+04 9.74E+04 1.66E+05 1.22E+05 9.21E+04 1.73E+05 1.56E+05 1.32E+05 2.44E+05 1.48E+05 3.04E+05 1.50E+05 1.14E+05 3.11E+05 1.21E+05 1.23E+05 octenoyl-l-carnitine (acyl-C8:1) 1.01E+04 1.50E+04 4.59E+03 1.39E+04 1.10E+04 9.93E+03 1.96E+06 1.16E+04 4.04E+03 9.49E+03 4.20E+03 1.08E+04 1.14E+04 5.17E+03 6.77E+03 2.25E+04 1.95E+04 1.38E+04 1.46E+04 1.29E+04 2.11E+04 1.80E+04 1.14E+04 1.47E+04 2.13E+04 1.69E+04 6.67E+03 1.69E+04 1.55E+04 1.88E+04 4.22E+05 2.86E+06 1.22E+06 8.60E+05 7.95E+05 5.55E+05 8.57E+05 3.82E+06 8.53E+05 1.54E+06 2.28E+05 4.57E+06 4.89E+05 9.98E+05 6.98E+05 7.49E+05 1.60E+06 4.70E+05 5.26E+05 1.73E+06 7.09E+05 6.38E+05 1.51E+06 9.88E+05 4.72E+05 8.51E+05 7.18E+05 4.36E+06 5.63E+05 5.65E+05 O-Decenoyl-L-carnitine (acyl-C10:1) 2.93E+03 7.38E+03 0.00E+00 6.61E+03 6.05E+03 2.75E+03 1.36E+06 3.43E+03 3.34E+03 7.66E+03 3.03E+03 4.61E+03 3.18E+03 2.52E+03 5.92E+03 1.05E+04 1.03E+04 4.72E+03 7.10E+03 5.40E+03 4.33E+03 4.88E+03 3.39E+03 4.20E+03 6.81E+03 6.24E+03 3.67E+03 6.72E+03 5.55E+03 4.03E+03 2.93E+05 1.75E+06 7.63E+05 7.88E+05 6.03E+05 4.28E+05 6.16E+05 2.47E+06 5.64E+05 1.14E+06 1.52E+05 2.42E+06 2.71E+05 7.17E+05 4.86E+05 3.76E+05 1.14E+06 4.02E+05 3.47E+05 1.39E+06 5.73E+05 4.76E+05 1.21E+06 7.84E+05 3.43E+05 4.99E+05 5.10E+05 2.78E+06 4.59E+05 3.82E+05 O-dodecenoyl-carnitine (acyl-C12:1) 3.93E+02 1.62E+03 5.11E+02 9.60E+02 4.49E+02 1.72E+03 5.11E+05 2.61E+03 6.25E+02 1.15E+03 4.66E+02 1.96E+03 4.80E+02 9.21E+02 1.05E+03 5.73E+02 4.37E+02 1.47E+03 2.03E+03 3.33E+02 1.45E+03 2.00E+03 4.42E+02 1.25E+03 1.15E+03 1.28E+03 3.09E+03 2.07E+03 1.49E+03 6.52E+02 1.73E+05 9.07E+05 6.28E+05 5.11E+05 4.58E+05 2.84E+05 4.47E+05 8.49E+05 4.38E+05 7.06E+05 1.07E+05 9.88E+05 2.03E+05 7.51E+05 3.73E+05 3.37E+05 7.06E+05 3.42E+05 2.83E+05 8.42E+05 4.13E+05 4.78E+05 7.16E+05 5.89E+05 2.42E+05 4.92E+05 4.44E+05 8.80E+05 3.72E+05 3.06E+05 O-tetradecanoyl-L-carnitine (acyl-C14) 4.60E+04 3.70E+04 2.99E+04 4.34E+04 4.84E+04 5.16E+04 6.29E+04 5.95E+04 5.40E+04 7.17E+04 5.25E+04 5.55E+04 4.62E+04 5.62E+04 5.83E+04 5.59E+04 6.94E+04 9.00E+04 7.65E+04 7.19E+04 3.11E+04 4.55E+04 4.47E+04 3.10E+04 3.27E+04 4.62E+04 3.38E+04 3.73E+04 4.87E+04 6.33E+04 9.34E+04 1.15E+05 7.25E+04 1.05E+05 1.08E+05 9.13E+04 1.26E+05 1.16E+05 1.21E+05 1.16E+05 6.57E+04 5.11E+04 4.11E+04 4.37E+04 6.06E+04 7.90E+04 8.09E+04 5.96E+04 7.81E+04 7.00E+04 8.54E+04 6.68E+04 7.32E+04 6.48E+04 1.11E+05 7.43E+04 8.22E+04 9.00E+04 7.86E+04 7.77E+04 Tetradecenoyl Carnitine (acyl-C14:1) 0.00E+00 5.08E+02 0.00E+00 3.54E+02 1.46E+04 8.01E+02 3.55E+04 6.77E+03 4.11E+02 0.00E+00 1.42E+03 2.73E+03 0.00E+00 0.00E+00 0.00E+00 0.00E+00 4.20E+03 8.35E+03 2.01E+03 5.59E+03 0.00E+00 4.09E+03 2.77E+03 1.47E+03 1.40E+03 0.00E+00 1.51E+03 4.56E+03 1.86E+03 5.12E+03 1.39E+04 9.55E+04 2.04E+04 2.71E+04 3.65E+04 1.76E+04 3.59E+04 7.33E+04 2.44E+04 4.14E+04 7.35E+03 9.81E+04 7.71E+03 2.64E+04 1.18E+04 1.39E+04 4.01E+04 1.22E+04 2.60E+04 2.96E+04 3.32E+04 9.65E+03 4.08E+04 2.52E+04 1.86E+04 2.24E+04 1.83E+04 8.96E+04 8.88E+03 1.40E+04 L-Palmitoylcarnitine (acyl-C16) 2.31E+05 1.81E+05 1.98E+05 2.51E+05 2.59E+05 3.36E+05 2.93E+05 3.41E+05 3.37E+05 4.38E+05 4.27E+05 3.26E+05 2.92E+05 3.10E+05 3.76E+05 4.00E+05 4.26E+05 4.99E+05 6.34E+05 4.85E+05 2.14E+05 3.28E+05 3.15E+05 2.16E+05 2.15E+05 3.09E+05 2.37E+05 3.41E+05 3.04E+05 3.85E+05 2.76E+05 2.69E+05 3.16E+05 2.98E+05 3.38E+05 4.12E+05 4.13E+05 3.63E+05 3.59E+05 5.32E+05 1.99E+05 1.99E+05 1.39E+05 1.68E+05 1.46E+05 3.16E+05 3.17E+05 2.34E+05 3.29E+05 3.67E+05 2.78E+05 2.92E+05 2.47E+05 2.31E+05 4.75E+05 3.54E+05 3.50E+05 4.23E+05 2.68E+05 3.44E+05 Hexadecenoyl-carnitine (acyl-C16:1) 7.19E+03 6.61E+03 8.82E+03 9.35E+03 9.23E+03 7.78E+03 4.93E+04 6.86E+03 7.06E+03 1.07E+04 7.30E+03 5.86E+03 9.67E+03 7.05E+03 8.22E+03 8.94E+03 5.84E+03 7.73E+03 7.91E+03 5.85E+03 6.46E+03 7.21E+03 9.55E+03 6.17E+03 6.99E+03 6.67E+03 6.31E+03 7.76E+03 5.86E+03 7.90E+03 2.95E+04 5.34E+04 4.12E+04 4.06E+04 2.92E+04 2.82E+04 2.61E+04 5.74E+04 3.00E+04 4.19E+04 1.50E+04 6.58E+04 2.32E+04 3.67E+04 2.85E+04 3.12E+04 4.94E+04 2.55E+04 2.72E+04 4.75E+04 2.99E+04 3.02E+04 4.24E+04 3.11E+04 2.50E+04 3.88E+04 2.71E+04 8.22E+04 3.07E+04 2.76E+04 O-octadecenoyl-L-carnitine (acyl-C18:1) 1.64E+04 2.37E+04 1.70E+04 2.60E+04 4.01E+04 2.79E+04 1.48E+04 2.63E+04 2.67E+04 4.16E+04 3.29E+04 2.72E+04 1.88E+04 2.48E+04 2.73E+04 5.96E+04 6.72E+04 9.31E+04 8.86E+04 8.26E+04 3.29E+04 4.61E+04 5.63E+04 3.32E+04 3.61E+04 4.17E+04 4.63E+04 5.13E+04 4.55E+04 5.18E+04 1.23E+05 1.32E+05 1.03E+05 1.48E+05 1.14E+05 1.35E+05 1.18E+05 1.20E+05 1.25E+05 1.09E+05 8.32E+04 6.72E+04 7.39E+04 7.83E+04 7.88E+04 1.13E+05 1.03E+05 5.13E+04 1.17E+05 7.31E+04 9.27E+04 1.09E+05 8.92E+04 1.02E+05 9.78E+04 9.04E+04 1.06E+05 8.73E+04 1.00E+05 9.72E+04 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name CmpdID parent medRt L-alanine C00041 90.0548 0.64 L-arginine C00062 175.1188 0.61 L-asparagine C00152 133.0601 0.64 L-aspartate C00049 134.0446 0.65 L-glutamate C00025 148.0605 0.65 L-glutamine C00064 147.0762 0.64 glycine C00037 76.0393 1.79 L-histidine C00135 156.0767 0.60 L-leucine/isoleucine C00123 132.1016 0.67 L-lysine C00047 147.1127 0.60 L-methionine C00073 150.0583 0.67 L-phenylalanine C00079 166.0860 0.68 L-proline C00148 116.0704 0.66 L-serine C00065 106.0498 0.64 L-threonine C00188 120.0654 0.65 L-tryptophan C00078 205.0968 1.74 L-tyrosine C00082 182.0806 0.67 L-valine C00183 118.0860 0.66 L-cystine C00491 241.0301 0.64 AMP C00020 348.0698 0.67 dAMP C00360 332.0777 0.66 Adenosine C00212 268.1034 0.67 Adenine C00147 136.0616 0.67 Guanine C00242 152.0566 0.77 Cytosine C00380 112.0503 0.66 Hypoxanthine C00262 137.0458 0.67 Allantoate C00499 177.0608 0.60 5-Hydroxyisourate C11821 185.0320 0.64 2',3'-Cyclic CMP C02354 306.0479 0.66 5-6-Dihydrothymine C00906 129.0658 0.65 Pyridoxal C00250 168.0654 0.67 Nicotinamide C00153 123.0551 0.82 NAD+ C00003 664.1154 0.66 Phosphate C00009 98.9840 0.70 Glutathione C00051 308.0903 0.67 5-Oxoproline C01879 130.0498 0.65 S-Glutathionyl-L-cysteine C05526 427.0931 0.66 Cys-Gly C01419 179.0481 0.67 gamma-Glutamyl-Se-methylselenocysteine C05695 313.0285 0.68 gamma-L-Glutamyl-D-alanine C03738 219.0973 0.66 gamma-Glutamyl-gamma-aminobutyrate C15767 233.1128 0.67 gamma-L-Glutamylputrescine C15699 218.1495 0.58 Dimethylglycine C01026 104.0704 0.63 Phosphoserine C02532 186.0163 0.66 S-Adenosyl-L-methionine C00019 399.1437 0.63 Folate C00504 442.1463 1.73 Ornithine C01602 133.0975 0.60 L-Citrulline C00327 176.1031 0.65 Putrescine C00134 89.1072 0.59 Spermidine C00315 146.1651 0.59 Spermine C00750 203.2227 0.59 Carnosine C00386 227.1133 0.59 Phosphocreatine C02305 212.0428 0.68 Creatine C00300 132.0767 0.65 Creatinine C00791 114.0660 0.64 4-Acetamidobutanoate C02946 146.0811 1.03 Guanidinoacetate C00581 118.0610 0.64 trans-4-Hydroxy-L-proline C01157 132.0654 0.45 Pantothenate C00864 220.1175 1.70 Pantetheine 4--phosphate C01134 359.1031 1.70 Taurine C00245 126.0219 0.65 Hypotaurine C00519 110.0269 0.65 L-Methionine S-oxide C02989 166.0531 0.81 Indole C00463 118.0650 1.83 Indole-3-acetate C00954 176.0704 1.86 Indoxyl C05658 134.0599 0.68 Picolinic acid C10164 124.0401 0.57 g-Oxalo-crotonate C03453 159.0276 0.67 8-Methoxykynurenate C05830 220.0618 1.85 L-Adrenaline C00788 184.0974 1.79 Sphingosine C00319 300.2891 2.04 Acetylcholine C01996 146.1174 0.65 L-Carnitine C00318 162.1123 0.64 acetyl-carnitine (acyl-C2) C02571 204.1228 0.67 propionyl-carnitine (acyl-C3) C03017 218.1384 0.67 butanoyl-l-carnitine (acyl-C4) C02862 232.1539 0.68 acyl-C5:1 (Tiglylcarnitine) HMDB02366 244.1540 1.81 acyl-C5-OH (hydroxyisovalerylcarnitine) ac107 262.1642 1.79 hexanoyl-L-carnitine (acyl-C6) HMDB00756 260.1851 1.83 L-octanoylcarnitine (acyl-C8) C02838 288.2163 1.86 octenoyl-l-carnitine (acyl-C8:1) ac111 286.2007 1.90 O-Decenoyl-L-carnitine (acyl-C10:1) CID57357170 314.2320 1.93 O-dodecenoyl-carnitine (acyl-C12:1) HMDB13326 342.2635 2.26 O-tetradecanoyl-L-carnitine (acyl-C14) HMDB05066 372.3102 2.04 Tetradecenoyl Carnitine (acyl-C14:1) HMDB13329 370.2943 2.04 L-Palmitoylcarnitine (acyl-C16) C02990 400.3416 2.11 Hexadecenoyl-carnitine (acyl-C16:1) HMDB06317 398.3260 2.52 O-octadecenoyl-L-carnitine (acyl-C18:1) HMDB06351 426.3571 2.12 METABOLITES_END #END