{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001996","ANALYSIS_ID":"AN003256","VERSION":"1","CREATED_ON":"November 22, 2021, 1:42 pm"},

"PROJECT":{"PROJECT_TITLE":"Polyamine import and accumulation causes immunomodulation in macrophages engulfing apoptotic cells","PROJECT_SUMMARY":"Phagocytosis of apoptotic cells, termed efferocytosis, is critical for tissue homeostasis and drives anti-inflammatory programming in engulfing macrophages. Here, we assess metabolites in naïve and inflammatory macrophages following engulfment of multiple cellular and non-cellular targets. Efferocytosis leads to unique increases in the arginine-derived polyamines, spermidine and spermine, in vitro and in vivo. Surprisingly, polyamine accumulation after efferocytosis does not arise from retention of apoptotic cell metabolites or de novo synthesis, but from enhanced polyamine import that is dependent on Rac1, actin, and PI3 kinase. Blocking polyamine import prevents efferocytosis from suppressing macrophage IL-1or IL-6. This identifies efferocytosis as a trigger for polyamine import and accumulation, and imported polyamines as mediators of efferocytosis-induced immune reprogramming.","INSTITUTE":"University of Colorado Denver","LAST_NAME":"Haines","FIRST_NAME":"Julie","ADDRESS":"12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA","EMAIL":"julie.haines@cuanschutz.edu","PHONE":"3037243339"},

"STUDY":{"STUDY_TITLE":"Polyamine import and accumulation causes immunomodulation in macrophages engulfing apoptotic cells (Part 1)","STUDY_SUMMARY":"Phagocytosis of apoptotic cells, termed efferocytosis, is critical for tissue homeostasis and drives anti-inflammatory programming in engulfing macrophages. Here, we assess metabolites in naïve and inflammatory macrophages following engulfment of multiple cellular and non-cellular targets. Efferocytosis leads to unique increases in the arginine-derived polyamines, spermidine and spermine, in vitro and in vivo. Surprisingly, polyamine accumulation after efferocytosis does not arise from retention of apoptotic cell metabolites or de novo synthesis, but from enhanced polyamine import that is dependent on Rac1, actin, and PI3 kinase. Blocking polyamine import prevents efferocytosis from suppressing macrophage IL-1or IL-6. This identifies efferocytosis as a trigger for polyamine import and accumulation, and imported polyamines as mediators of efferocytosis-induced immune reprogramming.","INSTITUTE":"University of Colorado Denver","LAST_NAME":"Haines","FIRST_NAME":"Julie","ADDRESS":"12801 E 17th Ave, Room 1303, Aurora, Colorado, 80045, USA","EMAIL":"julie.haines@cuanschutz.edu","PHONE":"3037243339"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 1",
"Factors":{"category":"4h unexposed"},
"Additional sample data":{"RAW_FILE_NAME":"18"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 2",
"Factors":{"category":"4h unexposed"},
"Additional sample data":{"RAW_FILE_NAME":"21"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 3",
"Factors":{"category":"4h unexposed"},
"Additional sample data":{"RAW_FILE_NAME":"24"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 1-",
"Factors":{"category":"4h non-engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"19"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 2-",
"Factors":{"category":"4h non-engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"22"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 3-",
"Factors":{"category":"4h non-engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"25"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 1+",
"Factors":{"category":"4h engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"20"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 2+",
"Factors":{"category":"4h engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"23"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 4h 3+",
"Factors":{"category":"4h engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"26"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 1",
"Factors":{"category":"8h unexposed"},
"Additional sample data":{"RAW_FILE_NAME":"27"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 2",
"Factors":{"category":"8h unexposed"},
"Additional sample data":{"RAW_FILE_NAME":"30"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 3",
"Factors":{"category":"8h unexposed"},
"Additional sample data":{"RAW_FILE_NAME":"33"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 1-",
"Factors":{"category":"8h non-engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"28"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 2-",
"Factors":{"category":"8h non-engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"31"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 3-",
"Factors":{"category":"8h non-engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"34"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 1+",
"Factors":{"category":"8h engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"29"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 2+",
"Factors":{"category":"8h engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"32"}
},
{
"Subject ID":"-",
"Sample ID":"NecJ 8h 3+",
"Factors":{"category":"8h engulfing"},
"Additional sample data":{"RAW_FILE_NAME":"35"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Experimental animals This study was approved and performed in accordance with the ethical guidelines of the Institutional Animal Care and Use Committee at National Jewish Health. C57BL/6J (000664), B6-CD45.1 (002014) and CCR2KO (004999) mice were obtained from Jackson Laboratories (Bar Harbor, ME, USA). DsRed.T3 mice (available as 006051 at Jackson Labs) were generously shared by the Nagy laboratory (Vintersten et al., 2004). CCR2KO mice were crossed with DsRed mice until double homozygous. Mice used in experiments were between 8-16 weeks of age. Both male and female sex were used in experiments except bone marrow chimera experiments, which used only male mice. Cell Lines Jurkat (human T lymphocytes, clone E6-1) were obtained from ATCC and cultured in RPMI-1640 (GIBCO) supplemented with 10% heat-inactivated fetal bovine serum (v/v) (GeminiBio), 1X Pen/Strep/Glut, 1mM HEPES, and 100M Sodium Pyruvate. Cells were cultured in a humidified CO2 incubator at 37C. The Jurkat cell line was established from peripheral blood of a 14-year-old male diagnosed with T cell leukemia. Murine primary cell cultures Peritoneal cells were isolated from naïve mice by lavage with 10mL of PBS containing 0.5mM EDTA. Lavage was estimated to contain 50% macrophages. Peritoneal macrophages were isolated by adhesion purification of lavage cells in RPMI-10 (RPMI-1640 containing 10% heat-inactivated fetal bovine serum (v/v), 1X Pen/Strep/Glut, 1mM HEPES, and 100M Sodium Pyruvate) plated 1.3x106 macrophages/well in 6-well plates for FACS sorting or 4x106 macrophage/well in 24-well plates for flow cytometry. Non-adherent cells were removed by washing after 3-5 hours, and macrophages were cultured in fresh RPMI-10 overnight. 400ng/mL purified E. coli O111:B4 LPS (List Biological Laboratories Inc.) was added to generate inflammatory macrophages 12h before the addition of target cells. Bone marrow-derived macrophages were generated by 8-day culture of murine bone marrow cells grown in media containing M-CSF (High glucose DMEM containing 10% v/v FBS, 20% v/v L929-conditioned media, 1X Pen/Strep/Glut, 100M Sodium Pyruvate, 55M beta-Mercaptoethanol). All macrophages were removed from culture dishes by 3-minute incubation with 1X Trypsin-EDTA (Sigma) plus gentle scraping.","SAMPLE_TYPE":"Macrophages"},

"TREATMENT":{"TREATMENT_SUMMARY":"Apoptotic target cells Live Jurkat cells in RPMI-10 were exposed to 60,000 J of UV energy on a UV Stratalinker 2400 (Stratagene), then incubated at 37C for 4h to generate apoptotic Jurkat cells (ApoJ). Thymocytes, obtained by crushing WT murine thymi and filtering for a single cell suspension, were converted to apoptotic thymocytes in the same manner. For TAMRA-labeling, apoptotic targets were stained during the final hour by 15 minute incubation at 37C with 10M 5(6)-TAMRA,SE (Invitrogen) in PBS followed by two washes with RPMI-10 to remove excess TAMRA. Apoptotic targets were resuspended in fresh RPMI-10 and added to macrophages in culture at a ratio of 5:1 and co-cultured for 1h. Unengulfed targets were removed by washing macrophages three times with cold 1X PBS. To assess in vivo uptake of exogenous targets, 2x106 ApoJ were injected IP. Other cell targets Jurkat cells destined to be IgGJ and NecJ were TAMRA-labeled prior to opsonization or killing using the procedure described above. Labeled cells were incubated for 30 minutes on ice with 25g/mL purified anti-human CD3 (Biolegend, Clone UCHT1) to generate IgGJ or incubated for 25 minutes at 55C to generate NecJ. All targets were resuspended in RPMI-10. IgG targets were added to macrophages at a ratio of 4:1 and co-cultured for 1h, NecJ targets were added to macrophages at a ratio of 5:1 and co-cultured for 1h. Unengulfed targets were removed by washing macrophages three times with cold 1X PBS. To assess in vivo uptake of exogenous targets, 2x106 IgGJ were injected IP. Non-cell targets 1-Palmitoyl-2-oleoyl-sn-glycero-3-phospho-L-serine (POPS) and 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine (POPC) (Avanti Polar Lipids Inc.) were used to generate PS-containing liposomes. Lipids suspended in chloroform were mixed at 70:30 POPC:POPS, then chloroform was evaporated under nitrogen. Dry lipids were resuspended in RPMI for a final concentration of 500M lipid and sonicated for 15 minutes until liposomes were formed and solution transitioned from opaque to clear. Liposomes were added to macrophages at a final concentration of 50M in RPMI-10. For other experiments, Flash Red 5m carboxylated polystyrene beads (PS/DVB-COOH·(660,690) carboxyl polystyrene beads, Bangs Laboratories Inc.) were added to macrophages at a final ratio of 1:2. Macrophages were co-cultured with non-cell targets for 1h and unengulfed targets were removed by washing macrophages three times with cold 1X PBS. Isotope-labeled metabolite use For some experiments, Jurkat T cells were cultured for 4 days in media containing [13C,15N]cell-free amino acid mixture (Sigma-Aldrich) (RPMI-1640 medium for SILAC, 10% v/v dyalized FBS, 1X Pen/Strep, 1mM HEPES, 4% v/v amino acid mixture). For some experiments, macrophages were cultured for 7 hours in media containing [13C,15N]Arginine (Cambridge Isotope Laboratories): RPMI-1640 medium for SILAC, 10% dyalized FBS v/v, 1X Pen/Strep, 1mM HEPES, 100M Sodium Pyruvate, 0.2 g/L [13C,15N]Arginine. FACS sorting engulfing and non-engulfing cells Single cell suspensions were incubated with unlabeled CD16/CD32 for 5 min to block non-specific FcR-mediated binding. Cells were stained with surface antibody panels for 20 min, and then washed. Cells were protected from light and incubations were performed on ice. HBSS containing 0.3% BSA and 0.3 mM EDTA was used as a buffer for all incubations. DAPI was added to cells immediately prior to sort to distinguish live and dead cells. For all in vitro target cell engulfment assays, live macrophages (murine peritoneal macrophages: CD45+F4/80+DAPI-; murine BMDM: CD45+CD88+DAPI-; HMDM: CD45+HLA-DR+DAPI-) were separated into engulfing (TAMRA+) and non-engulfing (TAMRA-) populations. For in vivo IP ApoJ or IgGJ engulfment assays, live macrophages were identified as CD45+Ly6G-CD88+CD11b+F4/80hiDAPI- and TAMRA+ or TAMRA-. For bead engulfment assays, live macrophages (CD45+F4/80+DAPI-) were sorted into engulfing (Flash Red+) and non-engulfing (Flash Red-) populations. Liposomes had no label; liposome-fed macrophages were only sorted for viability. Primary antibodies used (source/clone): unlabeled CD16/32 (eBioscience/93), Ly6G (BD/IA8), F4/80 (ebioscience/BM8), CD45 (BD/30-F11), CD11b (eBioscience/M1/70), CD88 (BioLegend/20/70), CD64 (Biolegend/X54-5/7.1). All primary antibodies were used at a 1:400 dilution. All macrophages were sorted into 0.06% BSA-coated tubes on a Synergy cell sorter (Sony Biotech)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"To process cells for assessment of intracellular metabolites, cells were pelleted at 400xg in tubes coated with 0.06% BSA. Supernatant was aspirated and discarded; residual liquid was carefully wicked away from the pellet with a kimwipe. Dry pellets were immediately snap frozen and stored at -80C until processing. To process culture supernatants for assessment of metabolites, supernatant was centrifuged at 400xg to pellet any cells. Cell-free supernatant was then transferred to a fresh tube, snap frozen, and stored at -80C until processing. Ultra-high pressure liquid chromatography-mass spectrometry (UHPLC-MS) was performed by the University of Colorado School of Medicine Metabolomics Core. Metabolites from frozen cell pellets were extracted at 2e6 cells/mL in ice cold 5:3:2 MeOH:acetonitrile:water (v/v/v). Media was thawed on ice and a 10 L aliquot treated with 240 L of the same extraction solution. Extractions were carried out using vigorous vortexing for 30 min at 4C. Supernatants were clarified by centrifugation (10 min, 18,000 g, 4C) and analyzed using a Thermo Vanquish UHPLC coupled to a Thermo Q Exactive mass spectrometer. Global metabolomics analyses were performed using a 3 min isocratic run in positive and negative ion modes (separate runs) as described previously (Nemkov et al., 2015, Nemkov et al., 2017); stable isotope tracing samples were analyzed using a 5 min C18 gradient in positive and negative ion modes (separate runs) as described (Nemkov et al., 2019, Gehrke et al., 2019). For all analyses, the MS scanned in MS1 mode across the m/z range of 65 to 950. Peaks were annotated (in conjunction with the KEGG database), integrated, and quality control performed using Maven (Princeton University) as described. Stable isotope tracing results were isotopically corrected for the natural abundance of 13C1, 13C2, 15N1, and 15N2 (Nemkov et al., 2017)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"10 uL of each sample was injected. The LC was operated under isocratic conditions using phase A (95% water, 5% acetonitrile, 10 mM ammonium acetate).","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Phenomenex Kinetex C18 (150 x 2.1mm, 2.6 um)","FLOW_GRADIENT":"isocratic","FLOW_RATE":"250 ul/min","COLUMN_TEMPERATURE":"25"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"For all analyses, the MS scanned in MS1 mode across the m/z range of 65 to 950. Peaks were annotated (in conjunction with the KEGG database), integrated, and quality control performed using Maven (Princeton University) as described. Stable isotope tracing results were isotopically corrected for the natural abundance of 13C1, 13C2, 15N1, and 15N2 (Nemkov et al., 2017)."},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"UTP","NecJ 4h 1":"2.40E+03","NecJ 4h 2":"4.98E+03","NecJ 4h 3":"3.92E+03","NecJ 4h 1-":"4.09E+03","NecJ 4h 2-":"3.07E+03","NecJ 4h 3-":"6.08E+03","NecJ 4h 1+":"2.67E+03","NecJ 4h 2+":"1.30E+03","NecJ 4h 3+":"3.99E+03","NecJ 8h 1":"3.66E+03","NecJ 8h 2":"3.08E+03","NecJ 8h 3":"5.93E+03","NecJ 8h 1-":"1.67E+03","NecJ 8h 2-":"3.64E+03","NecJ 8h 3-":"3.64E+03","NecJ 8h 1+":"3.16E+03","NecJ 8h 2+":"5.39E+03","NecJ 8h 3+":"3.54E+03"},{"Metabolite":"Uracil","NecJ 4h 1":"2.00E+05","NecJ 4h 2":"2.04E+05","NecJ 4h 3":"2.01E+05","NecJ 4h 1-":"2.06E+05","NecJ 4h 2-":"2.30E+05","NecJ 4h 3-":"2.25E+05","NecJ 4h 1+":"1.94E+05","NecJ 4h 2+":"1.91E+05","NecJ 4h 3+":"1.64E+05","NecJ 8h 1":"1.77E+05","NecJ 8h 2":"1.66E+05","NecJ 8h 3":"2.29E+05","NecJ 8h 1-":"1.98E+05","NecJ 8h 2-":"1.83E+05","NecJ 8h 3-":"2.58E+05","NecJ 8h 1+":"1.97E+05","NecJ 8h 2+":"1.95E+05","NecJ 8h 3+":"2.03E+05"},{"Metabolite":"Urate","NecJ 4h 1":"1.37E+05","NecJ 4h 2":"1.54E+05","NecJ 4h 3":"1.80E+05","NecJ 4h 1-":"2.64E+05","NecJ 4h 2-":"1.42E+05","NecJ 4h 3-":"4.09E+05","NecJ 4h 1+":"2.09E+05","NecJ 4h 2+":"2.62E+05","NecJ 4h 3+":"4.24E+05","NecJ 8h 1":"1.03E+05","NecJ 8h 2":"6.92E+04","NecJ 8h 3":"9.51E+04","NecJ 8h 1-":"3.26E+04","NecJ 8h 2-":"9.69E+04","NecJ 8h 3-":"4.80E+04","NecJ 8h 1+":"1.38E+05","NecJ 8h 2+":"2.65E+05","NecJ 8h 3+":"1.69E+05"},{"Metabolite":"3',5'-Cyclic IMP","NecJ 4h 1":"1.47E+05","NecJ 4h 2":"2.93E+04","NecJ 4h 3":"2.76E+04","NecJ 4h 1-":"1.62E+05","NecJ 4h 2-":"3.81E+04","NecJ 4h 3-":"1.74E+05","NecJ 4h 1+":"7.02E+04","NecJ 4h 2+":"1.80E+04","NecJ 4h 3+":"3.27E+05","NecJ 8h 1":"1.26E+05","NecJ 8h 2":"1.94E+04","NecJ 8h 3":"3.13E+05","NecJ 8h 1-":"7.72E+02","NecJ 8h 2-":"5.13E+04","NecJ 8h 3-":"0.00E+00","NecJ 8h 1+":"1.52E+05","NecJ 8h 2+":"2.10E+05","NecJ 8h 3+":"3.06E+04"},{"Metabolite":"Phosphate","NecJ 4h 1":"9.91E+07","NecJ 4h 2":"1.07E+08","NecJ 4h 3":"1.05E+08","NecJ 4h 1-":"8.93E+07","NecJ 4h 2-":"8.34E+07","NecJ 4h 3-":"1.28E+08","NecJ 4h 1+":"1.05E+08","NecJ 4h 2+":"1.02E+08","NecJ 4h 3+":"1.13E+08","NecJ 8h 1":"8.67E+07","NecJ 8h 2":"8.49E+07","NecJ 8h 3":"1.10E+08","NecJ 8h 1-":"1.06E+08","NecJ 8h 2-":"1.03E+08","NecJ 8h 3-":"1.10E+08","NecJ 8h 1+":"1.01E+08","NecJ 8h 2+":"8.55E+07","NecJ 8h 3+":"9.69E+07"},{"Metabolite":"Diphosphate","NecJ 4h 1":"9.71E+06","NecJ 4h 2":"1.61E+07","NecJ 4h 3":"1.10E+07","NecJ 4h 1-":"1.04E+07","NecJ 4h 2-":"1.05E+07","NecJ 4h 3-":"2.25E+07","NecJ 4h 1+":"1.17E+07","NecJ 4h 2+":"1.11E+07","NecJ 4h 3+":"1.60E+07","NecJ 8h 1":"1.12E+07","NecJ 8h 2":"8.09E+06","NecJ 8h 3":"1.68E+07","NecJ 8h 1-":"1.65E+07","NecJ 8h 2-":"1.28E+07","NecJ 8h 3-":"1.36E+07","NecJ 8h 1+":"1.48E+07","NecJ 8h 2+":"1.14E+07","NecJ 8h 3+":"1.38E+07"},{"Metabolite":"D-Glucose","NecJ 4h 1":"2.45E+06","NecJ 4h 2":"1.67E+06","NecJ 4h 3":"2.00E+06","NecJ 4h 1-":"2.23E+06","NecJ 4h 2-":"1.85E+06","NecJ 4h 3-":"1.86E+06","NecJ 4h 1+":"2.14E+06","NecJ 4h 2+":"1.77E+06","NecJ 4h 3+":"2.77E+06","NecJ 8h 1":"2.20E+06","NecJ 8h 2":"1.99E+06","NecJ 8h 3":"2.07E+06","NecJ 8h 1-":"2.39E+06","NecJ 8h 2-":"1.75E+06","NecJ 8h 3-":"1.64E+06","NecJ 8h 1+":"2.64E+06","NecJ 8h 2+":"2.72E+06","NecJ 8h 3+":"1.64E+06"},{"Metabolite":"D-Glucose 6-phosphate","NecJ 4h 1":"3.89E+05","NecJ 4h 2":"3.22E+05","NecJ 4h 3":"4.59E+05","NecJ 4h 1-":"4.68E+05","NecJ 4h 2-":"3.62E+05","NecJ 4h 3-":"4.05E+05","NecJ 4h 1+":"7.12E+05","NecJ 4h 2+":"5.56E+05","NecJ 4h 3+":"5.70E+05","NecJ 8h 1":"5.41E+05","NecJ 8h 2":"4.71E+05","NecJ 8h 3":"3.89E+05","NecJ 8h 1-":"3.22E+05","NecJ 8h 2-":"4.37E+05","NecJ 8h 3-":"2.33E+05","NecJ 8h 1+":"5.96E+05","NecJ 8h 2+":"6.39E+05","NecJ 8h 3+":"4.69E+05"},{"Metabolite":"D-Fructose 1-6-bisphosphate","NecJ 4h 1":"9.77E+04","NecJ 4h 2":"1.14E+05","NecJ 4h 3":"1.73E+05","NecJ 4h 1-":"2.28E+05","NecJ 4h 2-":"1.33E+05","NecJ 4h 3-":"4.04E+05","NecJ 4h 1+":"1.46E+05","NecJ 4h 2+":"1.38E+05","NecJ 4h 3+":"2.77E+05","NecJ 8h 1":"9.15E+04","NecJ 8h 2":"5.79E+04","NecJ 8h 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"Metabolites":[{"Metabolite":"UTP","KEGG ID":"C00075","m/z":"482.9600","r.t.":"2.16"},{"Metabolite":"Uracil","KEGG ID":"C00106","m/z":"111.0185","r.t.":"1.17"},{"Metabolite":"Urate","KEGG ID":"C00366","m/z":"167.0196","r.t.":"1.21"},{"Metabolite":"3',5'-Cyclic IMP","KEGG ID":"C00943","m/z":"329.0299","r.t.":"1.26"},{"Metabolite":"Phosphate","KEGG ID":"C00009","m/z":"96.9680","r.t.":"1.15"},{"Metabolite":"Diphosphate","KEGG ID":"C00013","m/z":"176.9346","r.t.":"1.12"},{"Metabolite":"D-Glucose","KEGG ID":"C00031","m/z":"179.0552","r.t.":"1.19"},{"Metabolite":"D-Glucose 6-phosphate","KEGG ID":"C00092","m/z":"259.0215","r.t.":"1.14"},{"Metabolite":"D-Fructose 1-6-bisphosphate","KEGG ID":"C00354","m/z":"338.9883","r.t.":"1.27"},{"Metabolite":"D-Glyceraldehyde 3-phosphate/Glycerone phosphate","KEGG ID":"C00118","m/z":"168.9886","r.t.":"1.14"},{"Metabolite":"Pyruvate","KEGG ID":"C00022","m/z":"87.0071","r.t.":"1.20"},{"Metabolite":"Lactate","KEGG ID":"C01432","m/z":"89.0228","r.t.":"1.30"},{"Metabolite":"Maltose","KEGG ID":"C00208","m/z":"341.1084","r.t.":"1.22"},{"Metabolite":"Citrate","KEGG ID":"C00158","m/z":"191.0187","r.t.":"1.09"},{"Metabolite":"Succinate","KEGG ID":"C00042","m/z":"117.0178","r.t.":"1.15"},{"Metabolite":"Fumarate","KEGG ID":"C00122","m/z":"115.0023","r.t.":"1.47"},{"Metabolite":"Malate","KEGG ID":"C00149","m/z":"133.0128","r.t.":"1.12"},{"Metabolite":"Oxaloacetate","KEGG ID":"C00036","m/z":"131.0003","r.t.":"1.17"},{"Metabolite":"Itaconate","KEGG ID":"C00490","m/z":"129.0177","r.t.":"1.76"},{"Metabolite":"2-Hydroxyglutarate/Citramalate","KEGG ID":"C02630","m/z":"147.0286","r.t.":"1.10"},{"Metabolite":"Sedoheptulose 1-phosphate","KEGG ID":"C06222","m/z":"289.0324","r.t.":"1.12"},{"Metabolite":"alpha-D-Ribose 1-phosphate","KEGG ID":"C00620","m/z":"229.0110","r.t.":"1.14"},{"Metabolite":"Glutathione","KEGG ID":"C00051","m/z":"306.0761","r.t.":"1.26"},{"Metabolite":"Ascorbate","KEGG ID":"C00072","m/z":"175.0242","r.t.":"1.19"},{"Metabolite":"Ornithine","KEGG ID":"C01602","m/z":"131.0811","r.t.":"1.22"},{"Metabolite":"N-Glycoloyl-neuraminate","KEGG ID":"C03410","m/z":"324.0929","r.t.":"1.13"},{"Metabolite":"1-4-beta-D-Xylan","KEGG ID":"C02352","m/z":"131.0337","r.t.":"1.20"},{"Metabolite":"N-formyl kynurenine","KEGG ID":"C02700","m/z":"235.0750","r.t.":"1.21"},{"Metabolite":"2-Oxoadipate","KEGG ID":"C00322","m/z":"159.0289","r.t.":"1.20"},{"Metabolite":"Glycerol 3-phosphate","KEGG ID":"C00093","m/z":"171.0054","r.t.":"1.14"},{"Metabolite":"Ethanolamine phosphate","KEGG ID":"C00346","m/z":"140.0103","r.t.":"1.13"},{"Metabolite":"2-Methyleneglutarate","KEGG ID":"C02930","m/z":"143.0336","r.t.":"1.20"},{"Metabolite":"D-glucono-1,5-lactone","KEGG ID":"C00198","m/z":"177.0397","r.t.":"1.19"},{"Metabolite":"9-Oxononanoic acid","KEGG ID":"C16322","m/z":"171.1015","r.t.":"1.32"}]
}

}