{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001712","ANALYSIS_ID":"AN002787","VERSION":"1","CREATED_ON":"February 27, 2021, 6:23 pm"},

"PROJECT":{"PROJECT_TITLE":"Plasma biomarkers of radiotherapy in gliomas","PROJECT_SUMMARY":"Metabolomics analysis of plasma collected from a mouse model of astrocytoma","INSTITUTE":"NIH","DEPARTMENT":"Neuro-Oncology","LABORATORY":"Cancer Metabolism","LAST_NAME":"Ruiz Rodado","FIRST_NAME":"Victor","ADDRESS":"National Cancer Institute Building 37,, Room 1136, Bethesda, MD, 20892, USA","EMAIL":"victor.ruizrodado@nih.gov","PHONE":"2028736662"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of plasma from a mouse model of astrocytoma subjected to radiotherapy","STUDY_SUMMARY":"Mice were randomized in two groups (n=9 mice/group), one group was subjected to radiotherapy (Monday and Friday for 2 consecutive weeks at 3Gy/session) and the other cohort was the control. Sample were taken approximately each 10 days from the tail vein.","INSTITUTE":"National Cancer Institute","LAST_NAME":"Larion","FIRST_NAME":"Mioara","ADDRESS":"37 Convent Dr, Building 37 Room 1136","EMAIL":"mioara.larion@nih.gov","PHONE":"2407606825"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","AGE_OR_AGE_RANGE":"6–8 weeks old","GENDER":"Female","ANIMAL_ANIMAL_SUPPLIER":"Charles River Frederick Research Model Facility"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"212",
"Sample ID":"1212",
"Factors":{"Treatment":"Ctrl","Time":"RT-4"}
},
{
"Subject ID":"213",
"Sample ID":"1213",
"Factors":{"Treatment":"Ctrl","Time":"RT-4"}
},
{
"Subject ID":"215",
"Sample ID":"1215",
"Factors":{"Treatment":"Ctrl","Time":"RT-4"}
},
{
"Subject ID":"217",
"Sample ID":"1217",
"Factors":{"Treatment":"Ctrl","Time":"RT-4"}
},
{
"Subject ID":"219",
"Sample ID":"1219",
"Factors":{"Treatment":"Ctrl","Time":"RT-4"}
},
{
"Subject ID":"212",
"Sample ID":"2212",
"Factors":{"Treatment":"Ctrl","Time":"RT+4"}
},
{
"Subject ID":"213",
"Sample ID":"2213",
"Factors":{"Treatment":"Ctrl","Time":"RT+4"}
},
{
"Subject ID":"215",
"Sample ID":"2215",
"Factors":{"Treatment":"Ctrl","Time":"RT+4"}
},
{
"Subject ID":"217",
"Sample ID":"2217",
"Factors":{"Treatment":"Ctrl","Time":"RT+4"}
},
{
"Subject ID":"219",
"Sample ID":"2219",
"Factors":{"Treatment":"Ctrl","Time":"RT+4"}
},
{
"Subject ID":"212",
"Sample ID":"3212",
"Factors":{"Treatment":"Ctrl","Time":"RT+12"}
},
{
"Subject ID":"213",
"Sample ID":"3213",
"Factors":{"Treatment":"Ctrl","Time":"RT+12"}
},
{
"Subject ID":"215",
"Sample ID":"3215",
"Factors":{"Treatment":"Ctrl","Time":"RT+12"}
},
{
"Subject ID":"217",
"Sample ID":"3217",
"Factors":{"Treatment":"Ctrl","Time":"RT+12"}
},
{
"Subject ID":"219",
"Sample ID":"3219",
"Factors":{"Treatment":"Ctrl","Time":"RT+12"}
},
{
"Subject ID":"212",
"Sample ID":"4212",
"Factors":{"Treatment":"Ctrl","Time":"RT+24"}
},
{
"Subject ID":"213",
"Sample ID":"4213",
"Factors":{"Treatment":"Ctrl","Time":"RT+24"}
},
{
"Subject ID":"215",
"Sample ID":"4215",
"Factors":{"Treatment":"Ctrl","Time":"RT+24"}
},
{
"Subject ID":"217",
"Sample ID":"4217",
"Factors":{"Treatment":"Ctrl","Time":"RT+24"}
},
{
"Subject ID":"219",
"Sample ID":"4219",
"Factors":{"Treatment":"Ctrl","Time":"RT+24"}
},
{
"Subject ID":"203",
"Sample ID":"1203",
"Factors":{"Treatment":"RT","Time":"RT-4"}
},
{
"Subject ID":"204",
"Sample ID":"1204",
"Factors":{"Treatment":"RT","Time":"RT-4"}
},
{
"Subject ID":"205",
"Sample ID":"1205",
"Factors":{"Treatment":"RT","Time":"RT-4"}
},
{
"Subject ID":"207",
"Sample ID":"1207",
"Factors":{"Treatment":"RT","Time":"RT-4"}
},
{
"Subject ID":"208",
"Sample ID":"1208",
"Factors":{"Treatment":"RT","Time":"RT-4"}
},
{
"Subject ID":"203",
"Sample ID":"2203",
"Factors":{"Treatment":"RT","Time":"RT+4"}
},
{
"Subject ID":"204",
"Sample ID":"2204",
"Factors":{"Treatment":"RT","Time":"RT+4"}
},
{
"Subject ID":"205",
"Sample ID":"2205",
"Factors":{"Treatment":"RT","Time":"RT+4"}
},
{
"Subject ID":"207",
"Sample ID":"2207",
"Factors":{"Treatment":"RT","Time":"RT+4"}
},
{
"Subject ID":"208",
"Sample ID":"2208",
"Factors":{"Treatment":"RT","Time":"RT+4"}
},
{
"Subject ID":"203",
"Sample ID":"3203",
"Factors":{"Treatment":"RT","Time":"RT+12"}
},
{
"Subject ID":"204",
"Sample ID":"3204",
"Factors":{"Treatment":"RT","Time":"RT+12"}
},
{
"Subject ID":"205",
"Sample ID":"3205",
"Factors":{"Treatment":"RT","Time":"RT+12"}
},
{
"Subject ID":"207",
"Sample ID":"3207",
"Factors":{"Treatment":"RT","Time":"RT+12"}
},
{
"Subject ID":"208",
"Sample ID":"3208",
"Factors":{"Treatment":"RT","Time":"RT+12"}
},
{
"Subject ID":"203",
"Sample ID":"4203",
"Factors":{"Treatment":"RT","Time":"RT+24"}
},
{
"Subject ID":"204",
"Sample ID":"4204",
"Factors":{"Treatment":"RT","Time":"RT+24"}
},
{
"Subject ID":"205",
"Sample ID":"4205",
"Factors":{"Treatment":"RT","Time":"RT+24"}
},
{
"Subject ID":"207",
"Sample ID":"4207",
"Factors":{"Treatment":"RT","Time":"RT+24"}
},
{
"Subject ID":"208",
"Sample ID":"4208",
"Factors":{"Treatment":"RT","Time":"RT+24"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood was collected approximately every 10 days from the tail vein of the mice in Li-heparin collection tubes and immediately processed to separate plasma.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Radiation was performed on mice intracranially injected with the NCH1681 cell line. Mice were irradiated with a total of 12Gy; specifically, animals were treated on Monday and Friday for 2 consecutive weeks at 3Gy/session. Radiation was performed in a Pantek machine an orthovoltage radiotherapy unit. The mice were anesthetized with a cocktail of ketamine/rompun/saline mixture, i.e. ketamine (100mg/ml), rompun (20mg/ml) and diluted with saline to give the mice a 100mg/kg dose of ketamine and 10mg/kg rompun. The mice were injected with the cocktail at a dose of 0.01 µL per gram of half of the mouse’s body weight. Animals were then placed in a custom-made jig. During radiation, lead shielding covered the eyes, ears, the oral cavity, and the spinal cord. After radiation, the mice were given atipamezole, a reversal agent, to aid in the recovery."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Blood samples were separated into plasma and packed cells by centrifugation at 3,500g for 15 min at 4°C and stored at -80°C until extraction. 35 µL of plasma were extracted in a water:methanol:chloroform mixture. Centrifuged for 20 min at 4°ᵒC and 13,000 rpm and the resulting upper hydrophilic phase was then transferred to a clean vial and dried under a stream of N2 gas. Dried sediments were resuspended in 60% methanol (aq.) and injected into the LCMS system."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 6545 QTOF-MS","COLUMN_NAME":"AdvanceBio Glycan Map (2.1 x 100mm, 2.7µm)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6540 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"LC/MS analysis was conducted with the Agilent 6545 QTOF-MS combined with 1290 Infinity II UHPLC system (Agilent Technologies, Wilmington, DE, USA). Only LC/MS grade solvents and additives purchased from Covachem (CovaChem, LLC., Loves Park, IL, USA) were used to prepare mobile phases and wash solutions. Wash cycles consisting of strong wash (50% Methanol, 25% Isopropanol, and 25% Water), weak wash (90% Acetonitrile and 10 % Water), and seal wash (10% Isopropanol and 90% water) were implemented to eliminate carryover between injections. Dried extracts were reconstituted in 80 µL 60:40 MeOH/H2O and samples were injected (8 µL) to resolve analytes using Infinity 1290 in-line filter combined with AdvanceBio Glycan Map 2.1 x 100mm, 2.7µm column (Agilent Technologies, Wilmington, DE., USA) set at 35 0C. The solvent buffers were composed of mobile phase A (10 mM ammonium acetate in 88% water/ 12% acetonitrile) and mobile phase B (10 mM ammonium acetate in 90 % Acetonitrile) titrated with formic acid and ammonium hydroxide to pH 6.85. The linear gradient was executed at flow rate 0.2 mL/min, as follows: 100 % B, 0.5 min; 95% B, 2.0 min; 60 % B, 3.0 min; 35 % B, 5 min; hold 0.25 min; 0% B, 6 min; hold 0.5 min; 100 % B, 7.8 min; equilibrate for 1.7 min. The mass analyzer acquisition parameters include drying gas temperature, 250 0C; drying gas flow, 9 L/min; sheath gas temperature, 325 0C; sheath gas flow, 11 L/min; nebulizer, 45 psig. Mass spectra were acquired at 3.0 spectra/s in negative electrospray ionization (ESI-) mode for a mass range from 72 to 1200 m/z using a voltage gradient of capillary 3000 V, nozzle 2000 V, fragmentor 80 V, skimmer 50 V, and octopole radio frequency 750 V."},

"MS_METABOLITE_DATA":{
"Units":"arbitrary units",

"Data":[{"Metabolite":"FAD, Flavin adenine dinucleotide","1212":"0.000318","1213":"0.00009","1215":"0.000306","1217":"0.000153","1219":"0.000112","2212":"0.000311","2213":"0.000165","2215":"0.000164","2217":"0.000099","2219":"0.000259","3212":"0.000084","3213":"0.00023","3215":"0.00024","3217":"0.000237","3219":"0.000281","4212":"0.000552","4213":"0.000217","4215":"0.000384","4217":"0.000337","4219":"0.000119","1203":"0.0005","1204":"0.000348","1205":"0.000331","1207":"0.000173","1208":"0.000236","2203":"0.000444","2204":"0.000175","2205":"0.000242","2207":"0.00013","2208":"0.000106","3203":"0.000278","3204":"0.000342","3205":"0.000185","3207":"0.000355","3208":"0.000307","4203":"0.000258","4204":"0.000212","4205":"0.000199","4207":"0.000296","4208":"0.000263"},{"Metabolite":"NADP cation","1212":"0.000284","1213":"0.000136","1215":"0.001773","1217":"0.00012","1219":"0.00006","2212":"0.000227","2213":"0.000177","2215":"0.000365","2217":"0.000059","2219":"0.000051","3212":"0.000054","3213":"0.000329","3215":"0.000665","3217":"0.000236","3219":"0.000118","4212":"0.000425","4213":"0.000172","4215":"0.001302","4217":"0.000248","4219":"0.000115","1203":"0.000071","1204":"0.000614","1205":"0.00005","1207":"0.00023","1208":"0.00039","2203":"0.000032","2204":"0.000349","2205":"0.000296","2207":"0.000151","2208":"0.000078","3203":"0.000155","3204":"0.000126","3205":"0.000112","3207":"0.000153","3208":"0.000125","4203":"0.000172","4204":"0.000098","4205":"0.000489","4207":"0.000034","4208":"0.000101"},{"Metabolite":"NADH","1212":"0.00022","1213":"0.000063","1215":"0.00052","1217":"0.000405","1219":"0.000025","2212":"0.000087","2213":"0.000048","2215":"0.00014","2217":"0.000065","2219":"0.000104","3212":"0.000127","3213":"0.000169","3215":"0.0002","3217":"0.000105","3219":"0.000059","4212":"0.000399","4213":"0.000217","4215":"0.000445","4217":"0.000041","4219":"0.000072","1203":"0.000062","1204":"0.000142","1205":"0.000072","1207":"0.00006","1208":"0.000152","2203":"0.000135","2204":"0.000278","2205":"0.000112","2207":"0.000031","2208":"0.000132","3203":"0.000085","3204":"0.000073","3205":"0.000144","3207":"0.000137","3208":"0.000101","4203":"0.000183","4204":"0.0001","4205":"0.000115","4207":"0.000077","4208":"0.000125"},{"Metabolite":"NAD cation","1212":"0.003628","1213":"0.000129","1215":"0.013113","1217":"0.000082","1219":"0.000066","2212":"0.000679","2213":"0.001195","2215":"0.004951","2217":"0.000175","2219":"0.00034","3212":"0.000156","3213":"0.002523","3215":"0.0058","3217":"0.000112","3219":"0.000157","4212":"0.010948","4213":"0.000399","4215":"0.018138","4217":"0.000568","4219":"0.000043","1203":"0.000415","1204":"0.00492","1205":"0.000171","1207":"0.000545","1208":"0.004887","2203":"0.000104","2204":"0.003823","2205":"0.000275","2207":"0.00041","2208":"0.000915","3203":"0.001641","3204":"0.003515","3205":"0.00018","3207":"0.002785","3208":"0.000245","4203":"0.000219","4204":"0.000186","4205":"0.004596","4207":"0.000295","4208":"0.000326"},{"Metabolite":"CMP-N-acetylneuraminate","1212":"0.0016","1213":"0.000224","1215":"0.00171","1217":"0.00034","1219":"0.000233","2212":"0.000434","2213":"0.00057","2215":"0.000564","2217":"0.000349","2219":"0.000574","3212":"0.000332","3213":"0.000921","3215":"0.000659","3217":"0.000417","3219":"0.000079","4212":"0.002741","4213":"0.000652","4215":"0.002289","4217":"0.0007","4219":"0.000126","1203":"0.000773","1204":"0.002451","1205":"0.000854","1207":"0.000387","1208":"0.001","2203":"0.000528","2204":"0.000705","2205":"0.000079","2207":"0.000131","2208":"0.000456","3203":"0.000602","3204":"0.00005","3205":"0.000583","3207":"0.00011","3208":"0.000528","4203":"0.000282","4204":"0.000144","4205":"0.000974","4207":"0.000206","4208":"0.000732"},{"Metabolite":"GSSG, Glutathione oxidized","1212":"0.013804","1213":"0.00289","1215":"0.020849","1217":"0.002744","1219":"0.002582","2212":"0.004532","2213":"0.005627","2215":"0.005573","2217":"0.003195","2219":"0.006425","3212":"0.004122","3213":"0.009626","3215":"0.009684","3217":"0.004044","3219":"0.001039","4212":"0.022512","4213":"0.005774","4215":"0.022134","4217":"0.007059","4219":"0.002303","1203":"0.007896","1204":"0.02729","1205":"0.00867","1207":"0.005091","1208":"0.013223","2203":"0.006089","2204":"0.008557","2205":"0.000555","2207":"0.003655","2208":"0.004875","3203":"0.007358","3204":"0.000615","3205":"0.007773","3207":"0.001243","3208":"0.005212","4203":"0.003768","4204":"0.001933","4205":"0.012115","4207":"0.003502","4208":"0.009929"},{"Metabolite":"UDP-N-acetylglucosamine","1212":"0.000594","1213":"0.000474","1215":"0.001966","1217":"0.000073","1219":"0.000046","2212":"0.000199","2213":"0.00025","2215":"0.000594","2217":"0.000189","2219":"0.000187","3212":"0.000152","3213":"0.000552","3215":"0.001579","3217":"0.000193","3219":"0.000093","4212":"0.00084","4213":"0.000117","4215":"0.002542","4217":"0.000249","4219":"0.000032","1203":"0.000304","1204":"0.00141","1205":"0.000389","1207":"0.000168","1208":"0.00064","2203":"0.000109","2204":"0.000506","2205":"0.000441","2207":"0.000379","2208":"0.000128","3203":"0.000442","3204":"0.000622","3205":"0.000374","3207":"0.0004","3208":"0.000104","4203":"0.000087","4204":"0.000207","4205":"0.000461","4207":"0.000156","4208":"0.000345"},{"Metabolite":"UDP-D-galacturonate","1212":"0.000174","1213":"0.000027","1215":"0.00046","1217":"0.000014","1219":"0.00001","2212":"0.000051","2213":"0.000041","2215":"0.000048","2217":"0.000066","2219":"0","3212":"0.000016","3213":"0.000069","3215":"0.000177","3217":"0.000027","3219":"0.000016","4212":"0.00016","4213":"0","4215":"0.000503","4217":"0.000036","4219":"0","1203":"0.000031","1204":"0.000141","1205":"0.000046","1207":"0.000027","1208":"0.000065","2203":"0.000026","2204":"0.000014","2205":"0.000016","2207":"0.000022","2208":"0.000032","3203":"0.000017","3204":"0.000154","3205":"0.000013","3207":"0.000014","3208":"0","4203":"0.000027","4204":"0","4205":"0.000029","4207":"0","4208":"0"},{"Metabolite":"UDP-glucose","1212":"0.001244","1213":"0.000204","1215":"0.003673","1217":"0.000051","1219":"0.000061","2212":"0.00022","2213":"0.000383","2215":"0.001436","2217":"0.000188","2219":"0.000299","3212":"0.000074","3213":"0.00104","3215":"0.002088","3217":"0.000148","3219":"0.000087","4212":"0.003037","4213":"0.00033","4215":"0.00526","4217":"0.00033","4219":"0.000013","1203":"0.000243","1204":"0.001918","1205":"0.000095","1207":"0.000337","1208":"0.001594","2203":"0.000093","2204":"0.001099","2205":"0.000101","2207":"0.000159","2208":"0.000336","3203":"0.000468","3204":"0.001091","3205":"0.000317","3207":"0.000646","3208":"0.000194","4203":"0.000061","4204":"0.000181","4205":"0.000853","4207":"0.000266","4208":"0.000366"},{"Metabolite":"ADP-D-ribose","1212":"0.001864","1213":"0.000178","1215":"0.003604","1217":"0.000165","1219":"0.000234","2212":"0.000743","2213":"0.000582","2215":"0.000865","2217":"0.000275","2219":"0.000635","3212":"0.00032","3213":"0.001918","3215":"0.00428","3217":"0.000472","3219":"0.000205","4212":"0.003909","4213":"0.00042","4215":"0.004569","4217":"0.000706","4219":"0.000114","1203":"0.000372","1204":"0.003349","1205":"0.000414","1207":"0.000575","1208":"0.000935","2203":"0.00036","2204":"0.000802","2205":"0.000373","2207":"0.000476","2208":"0.00041","3203":"0.00065","3204":"0.000777","3205":"0.000558","3207":"0.000223","3208":"0.000348","4203":"0.000624","4204":"0.000395","4205":"0.000894","4207":"0.000499","4208":"0.00076"},{"Metabolite":"cADP-ribose","1212":"0.000742","1213":"0.000072","1215":"0.001989","1217":"0.000101","1219":"0.00005","2212":"0.000152","2213":"0.000159","2215":"0.001034","2217":"0.000073","2219":"0.000434","3212":"0.000098","3213":"0.000401","3215":"0.000817","3217":"0.000243","3219":"0.000037","4212":"0.001319","4213":"0.000151","4215":"0.002672","4217":"0.000345","4219":"0.000012","1203":"0.000286","1204":"0.001003","1205":"0.000087","1207":"0.000085","1208":"0.000605","2203":"0.000175","2204":"0.00063","2205":"0.000076","2207":"0.000126","2208":"0.000089","3203":"0.000294","3204":"0.00061","3205":"0.000214","3207":"0.000406","3208":"0.000117","4203":"0.00007","4204":"0.000057","4205":"0.000648","4207":"0.000198","4208":"0.000181"},{"Metabolite":"UDP-D-Xylose","1212":"0.00022","1213":"0.00004","1215":"0.000633","1217":"0.001227","1219":"0.000075","2212":"0.00021","2213":"0.000078","2215":"0.000028","2217":"0.000067","2219":"0.000116","3212":"0.000192","3213":"0.000095","3215":"0.000162","3217":"0.000197","3219":"0.000102","4212":"0.000193","4213":"0.00009","4215":"0.000127","4217":"0.000345","4219":"0.000057","1203":"0.000074","1204":"0.000108","1205":"0.000087","1207":"0.000188","1208":"0.000104","2203":"0.000114","2204":"0.000187","2205":"0.000141","2207":"0.000093","2208":"0.000044","3203":"0","3204":"0.000167","3205":"0.000078","3207":"0.000192","3208":"0.000146","4203":"0.000119","4204":"0.000175","4205":"0.000115","4207":"0.000071","4208":"0.000144"},{"Metabolite":"GDP, 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(PGA)--2-PGA","1212":"0.001325","1213":"0.000933","1215":"0.022037","1217":"0.000741","1219":"0.000617","2212":"0.002021","2213":"0.00151","2215":"0.001726","2217":"0.001212","2219":"0.000709","3212":"0.000689","3213":"0.000918","3215":"0.006162","3217":"0.000826","3219":"0.000898","4212":"0.002325","4213":"0.000748","4215":"0.003138","4217":"0.003664","4219":"0.0007","1203":"0.001219","1204":"0.002203","1205":"0.001088","1207":"0.001017","1208":"0.002608","2203":"0.000743","2204":"0.001597","2205":"0.000551","2207":"0.001261","2208":"0.000745","3203":"0.001632","3204":"0.004447","3205":"0.000733","3207":"0.001515","3208":"0.002001","4203":"0.001501","4204":"0.000566","4205":"0.005003","4207":"0.000762","4208":"0.000826"},{"Metabolite":"aKG_oxoglutarate","1212":"0.010158","1213":"0.017177","1215":"0.060139","1217":"0.086205","1219":"0.016542","2212":"0.048841","2213":"0.025039","2215":"0.030959","2217":"0.03216","2219":"0.063209","3212":"0.29504","3213":"0.00757","3215":"0.047924","3217":"0.057519","3219":"0.070527","4212":"0.020109","4213":"0.023581","4215":"0.010065","4217":"0.061962","4219":"0.093625","1203":"0.123139","1204":"0.009121","1205":"0.053368","1207":"0.021508","1208":"0.04535","2203":"0.045272","2204":"0.020163","2205":"0.012007","2207":"0.074049","2208":"0.031418","3203":"0.024295","3204":"0.01499","3205":"0.020789","3207":"0.022833","3208":"0.099257","4203":"0.022455","4204":"0.009942","4205":"0.032419","4207":"0.063638","4208":"0.019118"},{"Metabolite":"Betaine","1212":"0.038675","1213":"0.013251","1215":"0.044733","1217":"0.02362","1219":"0.011332","2212":"0.025029","2213":"0.012286","2215":"0.025912","2217":"0.022433","2219":"0.041346","3212":"0.031787","3213":"0.00862","3215":"0.049293","3217":"0.036026","3219":"0.043808","4212":"0.052192","4213":"0.02634","4215":"0.024296","4217":"0.033471","4219":"0.016432","1203":"0.029245","1204":"0.013672","1205":"0.030656","1207":"0.009783","1208":"0.018584","2203":"0.02064","2204":"0.012979","2205":"0.01036","2207":"0.024717","2208":"0.012882","3203":"0.01753","3204":"0.013025","3205":"0.01312","3207":"0.029457","3208":"0.016473","4203":"0.047749","4204":"0.01841","4205":"0.030948","4207":"0.041147","4208":"0.028938"},{"Metabolite":"N6,N6-Dimethyladenosine","1212":"0.001282","1213":"0.000098","1215":"0.00124","1217":"0.000606","1219":"0.000029","2212":"0.000157","2213":"0.000201","2215":"0.000584","2217":"0.000715","2219":"0.00128","3212":"0.001114","3213":"0.000201","3215":"0.000863","3217":"0.000104","3219":"0.000814","4212":"0.005387","4213":"0.00007","4215":"0.000654","4217":"0.00003","4219":"0.000444","1203":"0.000079","1204":"0.000612","1205":"0.000797","1207":"0.000089","1208":"0.000545","2203":"0.000109","2204":"0.000134","2205":"0.000056","2207":"0.000335","2208":"0.000329","3203":"0.000506","3204":"0.000289","3205":"0.000594","3207":"0.000129","3208":"0.000101","4203":"0.001068","4204":"0.000088","4205":"0.000657","4207":"0.001063","4208":"0.00029"},{"Metabolite":"dUMP_deoxyuridine monophosphate iso","1212":"0.001814","1213":"0.000196","1215":"0.002145","1217":"0.000748","1219":"0.002864","2212":"0.002392","2213":"0.000163","2215":"0.001726","2217":"0.001835","2219":"0.004733","3212":"0.003251","3213":"0.000402","3215":"0.003681","3217":"0.000302","3219":"0.003988","4212":"0.009857","4213":"0.002635","4215":"0.001512","4217":"0.005016","4219":"0.002475","1203":"0.003308","1204":"0.001604","1205":"0.003863","1207":"0.002799","1208":"0.000158","2203":"0.002666","2204":"0.006132","2205":"0.007514","2207":"0.004902","2208":"0.000154","3203":"0.001979","3204":"0.003276","3205":"0.000469","3207":"0.004132","3208":"0.004954","4203":"0.005553","4204":"0.011952","4205":"0.003823","4207":"0.003434","4208":"0.005466"},{"Metabolite":"Folate","1212":"0.000212","1213":"0.000073","1215":"0.00263","1217":"0.009323","1219":"0.000249","2212":"0.00018","2213":"0.000145","2215":"0.000362","2217":"0.000142","2219":"0.000279","3212":"0.000263","3213":"0.000117","3215":"0.000181","3217":"0.000357","3219":"0.000377","4212":"0.000408","4213":"0.000496","4215":"0.000348","4217":"0.000262","4219":"0.000183","1203":"0.000177","1204":"0.000279","1205":"0.000284","1207":"0.000324","1208":"0.000508","2203":"0.000195","2204":"0.00031","2205":"0.000238","2207":"0.00022","2208":"0.000167","3203":"0.000117","3204":"0.000171","3205":"0.000128","3207":"0.000188","3208":"0.000076","4203":"0.000488","4204":"0.000223","4205":"0.000084","4207":"0.000208","4208":"0.000362"}],

"Metabolites":[{"Metabolite":"FAD, Flavin adenine dinucleotide","Retention time (min)":"4.61"},{"Metabolite":"NADP cation","Retention time (min)":"4.88"},{"Metabolite":"NADH","Retention time (min)":"4.6"},{"Metabolite":"NAD cation","Retention time (min)":"4.7"},{"Metabolite":"CMP-N-acetylneuraminate","Retention time (min)":"4.95"},{"Metabolite":"GSSG, Glutathione oxidized","Retention time (min)":"4.95"},{"Metabolite":"UDP-N-acetylglucosamine","Retention time (min)":"4.69"},{"Metabolite":"UDP-D-galacturonate","Retention time (min)":"4.93"},{"Metabolite":"UDP-glucose","Retention time (min)":"4.75"},{"Metabolite":"ADP-D-ribose","Retention time (min)":"4.58"},{"Metabolite":"cADP-ribose","Retention time (min)":"4.7"},{"Metabolite":"UDP-D-Xylose","Retention time (min)":"4.52"},{"Metabolite":"GDP, Guanosine diphosphate","Retention time (min)":"4.51"},{"Metabolite":"IDP, Inosine diphosphate","Retention time (min)":"4.45"},{"Metabolite":"ADP","Retention time (min)":"4.5"},{"Metabolite":"Cytidine diphosphate (CDP)","Retention time (min)":"4.48"},{"Metabolite":"GMP (guanosine monophosphate)","Retention time (min)":"4.73"},{"Metabolite":"AMP","Retention time (min)":"4.62"},{"Metabolite":"D-Glucose 1,6-bisphosphate","Retention time (min)":"5"},{"Metabolite":"dAMP_Deoxyadenosine monophosphate","Retention time (min)":"4.82"},{"Metabolite":"cAMP","Retention time (min)":"4.47"},{"Metabolite":"UMP","Retention time (min)":"4.77"},{"Metabolite":"dTMP","Retention time (min)":"4.49"},{"Metabolite":"Mevalonate pyrophosphate (Mevalonate-5PP)","Retention time (min)":"4.46"},{"Metabolite":"GSH, Glutathione","Retention time (min)":"4.62"},{"Metabolite":"dCMP","Retention time (min)":"3.7"},{"Metabolite":"Inosine","Retention time (min)":"3.78"},{"Metabolite":"Adenosine","Retention time (min)":"4.09"},{"Metabolite":"Thiamine cation","Retention time (min)":"4.54"},{"Metabolite":"Dihydroxymandelate iso_","Retention time (min)":"4.08"},{"Metabolite":"Methoxy-4-hydroxyphenylglycolaldehyde I","Retention time (min)":"3.52"},{"Metabolite":"L-Phenylalanine","Retention time (min)":"4.13"},{"Metabolite":"HNE, Hydroxynonenal","Retention time (min)":"1.28"},{"Metabolite":"y-Glu-Cys iso","Retention time (min)":"4.26"},{"Metabolite":"Cytidine","Retention time (min)":"4.61"},{"Metabolite":"Thymidine iso","Retention time (min)":"1.93"},{"Metabolite":"N-Succinyl-L-glutamate 5-semialdehyde","Retention time (min)":"4.56"},{"Metabolite":"D-Ribose 5-phosphate","Retention time (min)":"4.67"},{"Metabolite":"Deoxyuridine","Retention time (min)":"4.58"},{"Metabolite":"Pantothenate","Retention time (min)":"3.95"},{"Metabolite":"L-Acetylcarnitine","Retention time (min)":"2.02"},{"Metabolite":"Citric acid","Retention time (min)":"7.19"},{"Metabolite":"D-Glycerate 2-phosphate","Retention time (min)":"4.78"},{"Metabolite":"Cystine","Retention time (min)":"4.47"},{"Metabolite":"Citrulline","Retention time (min)":"4.61"},{"Metabolite":"N-Acetylaspartate_NAA","Retention time (min)":"4.56"},{"Metabolite":"L-Arginine","Retention time (min)":"5.08"},{"Metabolite":"N2-Acetyl-L-ornithine","Retention time (min)":"4.5"},{"Metabolite":"L-Histidine","Retention time (min)":"5.12"},{"Metabolite":"Guanine","Retention time (min)":"4.23"},{"Metabolite":"Mevalonate","Retention time (min)":"3.95"},{"Metabolite":"2-Hydroxyglutaric acid","Retention time (min)":"4.75"},{"Metabolite":"L-Glutamate","Retention time (min)":"4.62"},{"Metabolite":"L-Ornithine_iso","Retention time (min)":"4.61"},{"Metabolite":"L-Lysine","Retention time (min)":"5.08"},{"Metabolite":"L-Glutamine","Retention time (min)":"4.58"},{"Metabolite":"Hypoxanthine","Retention time (min)":"2.74"},{"Metabolite":"2-Deoxy-D-Ribose","Retention time (min)":"4.05"},{"Metabolite":"Malate","Retention time (min)":"4.76"},{"Metabolite":"L-Aspartate","Retention time (min)":"4.69"},{"Metabolite":"L-Ornithine","Retention time (min)":"5.09"},{"Metabolite":"L-Asparagine","Retention time (min)":"4.66"},{"Metabolite":"Creatine","Retention time (min)":"4.49"},{"Metabolite":"Taurine","Retention time (min)":"4.23"},{"Metabolite":"Succinate","Retention time (min)":"4.1"},{"Metabolite":"Fumarate","Retention time (min)":"4.67"},{"Metabolite":"Uracil","Retention time (min)":"1.97"},{"Metabolite":"Hypotaurine iso","Retention time (min)":"4.48"},{"Metabolite":"GABA_y-Aminobutryic acid","Retention time (min)":"4.62"},{"Metabolite":"Lactate","Retention time (min)":"3.99"},{"Metabolite":"Pyruvate","Retention time (min)":"2.58"},{"Metabolite":"6-Phosphogluconic acid","Retention time (min)":"4.9"},{"Metabolite":"Cysteine iso","Retention time (min)":"5.2"},{"Metabolite":"D-Sedoheptulose 7-phosphate","Retention time (min)":"4.75"},{"Metabolite":"DHAP_Dihydroacetone phosphate","Retention time (min)":"1.16"},{"Metabolite":"1,3-Bisphosphoglyceric acid","Retention time (min)":"5.27"},{"Metabolite":"Guanosine II","Retention time (min)":"4.15"},{"Metabolite":"D-Fructose 1,6-bisphosphate","Retention time (min)":"4.56"},{"Metabolite":"9-O-Acetylneuraminic acid","Retention time (min)":"4.22"},{"Metabolite":"D-Arabinose 5-phosphate","Retention time (min)":"4.67"},{"Metabolite":"D-4-Hydroxy-2-oxoglutarate","Retention time (min)":"3.07"},{"Metabolite":"Pyruvate_","Retention time (min)":"2.6"},{"Metabolite":"D-Glucose","Retention time (min)":"4.25"},{"Metabolite":"Gly_Glycine","Retention time (min)":"4.58"},{"Metabolite":"Homocysteine","Retention time (min)":"4.09"},{"Metabolite":"Methionine","Retention time (min)":"4.22"},{"Metabolite":"N-Acetylcysteine (NAC) main","Retention time (min)":"3.92"},{"Metabolite":"Oxaloacetate-CO2,87","Retention time (min)":"4.24"},{"Metabolite":"N-acetylglucosamine.HCl, order 1x more","Retention time (min)":"4.1"},{"Metabolite":"Phosphenopyruvate (PEP), NIB","Retention time (min)":"4.75"},{"Metabolite":"L-Serine","Retention time (min)":"4.64"},{"Metabolite":"N-Acetylcysteine (NAC) main_iso","Retention time (min)":"4.81"},{"Metabolite":"TMP_Thymidine monophosphate iso","Retention time (min)":"4.49"},{"Metabolite":"L-Valine","Retention time (min)":"4.24"},{"Metabolite":"3-Phosphoglycerate (PGA)--2-PGA","Retention time (min)":"4.78"},{"Metabolite":"aKG_oxoglutarate","Retention time (min)":"4.21"},{"Metabolite":"Betaine","Retention time (min)":"4.24"},{"Metabolite":"N6,N6-Dimethyladenosine","Retention time (min)":"4.47"},{"Metabolite":"dUMP_deoxyuridine monophosphate iso","Retention time (min)":"4.01"},{"Metabolite":"Folate","Retention time (min)":"4.58"}]
}

}