{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002214","ANALYSIS_ID":"AN003623","VERSION":"1","CREATED_ON":"July 12, 2022, 10:40 am"},

"PROJECT":{"PROJECT_TITLE":"The effects of PKM2 modulation and hypoxia on the metabolic landscape of Alzheimer patient-derived induced neurons","PROJECT_SUMMARY":"We have obtained fibroblast cultures from old adult human non-demented control donors and Alzheimer patients (AD). The fibroblasts were reprogrammed into directly induced neurons (iNs) to serve as an adult-like and age-equivalent model for aging and neurodegeneration. Their response to PKM2 modulation (shikonin 10 µM or PKM2 overexpression) and hypoxia (CoDo treatment) were assessed.","INSTITUTE":"University of Colorado Denver","LABORATORY":"Lab of Angelo D'Alessandro in collaboration with lab of Jerome Mertens (Univ of Innsbruck)","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":"The effects of PKM2 modulation and hypoxia on the metabolic landscape of Alzheimer patient-derived induced neurons","STUDY_SUMMARY":"We have obtained fibroblast cultures from old adult human non-demented control donors and Alzheimer patients (AD). The fibroblasts were reprogrammed into directly induced neurons (iNs) to serve as an adult-like and age-equivalent model for aging and neurodegeneration. Their response to PKM2 modulation (shikonin 10 µM or PKM2 overexpression) and hypoxia (CoDo treatment) were assessed.","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":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","AGE_OR_AGE_RANGE":"50-90 yrs"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"3131-C",
"Factors":{"Condition":"Alzheimer patient","Treatment":"DMSO"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-1"}
},
{
"Subject ID":"-",
"Sample ID":"3131-S",
"Factors":{"Condition":"Alzheimer patient","Treatment":"Shikonin"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-3"}
},
{
"Subject ID":"-",
"Sample ID":"3053-C",
"Factors":{"Condition":"Alzheimer patient","Treatment":"DMSO"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-5"}
},
{
"Subject ID":"-",
"Sample ID":"3053-S",
"Factors":{"Condition":"Alzheimer patient","Treatment":"Shikonin"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-7"}
},
{
"Subject ID":"-",
"Sample ID":"8020-C",
"Factors":{"Condition":"Alzheimer patient","Treatment":"DMSO"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-9"}
},
{
"Subject ID":"-",
"Sample ID":"8020-S",
"Factors":{"Condition":"Alzheimer patient","Treatment":"Shikonin"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-11"}
},
{
"Subject ID":"-",
"Sample ID":"2800-C",
"Factors":{"Condition":"Alzheimer patient","Treatment":"DMSO"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-13"}
},
{
"Subject ID":"-",
"Sample ID":"2800-S",
"Factors":{"Condition":"Alzheimer patient","Treatment":"Shikonin"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-15"}
},
{
"Subject ID":"-",
"Sample ID":"2608-C",
"Factors":{"Condition":"non-demented control","Treatment":"GFP-overexpression"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-17"}
},
{
"Subject ID":"-",
"Sample ID":"2608-OE",
"Factors":{"Condition":"non-demented control","Treatment":"PKM2-overexpression"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-18"}
},
{
"Subject ID":"-",
"Sample ID":"8011-C",
"Factors":{"Condition":"non-demented control","Treatment":"GFP-overexpression"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-19"}
},
{
"Subject ID":"-",
"Sample ID":"8011-OE",
"Factors":{"Condition":"non-demented control","Treatment":"PKM2-overexpression"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-20"}
},
{
"Subject ID":"-",
"Sample ID":"8011-DFO",
"Factors":{"Condition":"non-demented control","Treatment":"CoDo Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-21"}
},
{
"Subject ID":"-",
"Sample ID":"2785-C",
"Factors":{"Condition":"non-demented control","Treatment":"GFP-overexpression"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-22"}
},
{
"Subject ID":"-",
"Sample ID":"2785-OE",
"Factors":{"Condition":"non-demented control","Treatment":"PKM2-overexpression"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-23"}
},
{
"Subject ID":"-",
"Sample ID":"2785-DFO",
"Factors":{"Condition":"non-demented control","Treatment":"CoDo Treatment"},
"Additional sample data":{"RAW_FILE_NAME":"MR36-24"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"For Metabolome, iNs were flow cytometry-isolated 21 days of conversion. iNs were sorted based on the expression of the PSA-NCAM surface markers using PSA-NCAM-PE (Miltenyi) and re-plated on Geltrex-coated wells. The following day, iNs were treated with 2.5 mM DGlucose-C13 for 6 hours and harvested using Tryple. Supernatant and cell pellets were shock frozen in liquid nitrogen.","SAMPLE_TYPE":"Biopsy"},

"TREATMENT":{"TREATMENT_SUMMARY":"After two weeks of conversion, cells were treated for 10 days with shikonin (10 µM, ChemCruz) before FACS sorting. Control iNs were FACS-sorted and plated on Geltrex-coated wells before transduction with pLVXTP-EGFP-PKM2 or pLVXTP-EGFP. Around 60 % of all neurons were successfully transduced. Five days after transduction, iNs were harvested for MS-analysis. Alternatively, cells were treated with CoDo for 6 hours before harvest."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Metabolites from frozen cell pellets were extracted at 150,000 cells/mL in cold 5:3:2 MeOH:acetonitrile:water. Samples were vortexed 30 min at 4 degrees C then supernatants clarified by centrifugation (10 min, 10,000 g, 4 degrees C). Supernatants were split into two equal tubes and gently dried using a vacuum concentrator. One set of residues were resuspended in 12 uL of 0.1% formic acid (for positive ion mode). The other set of residues were resuspended in 12 uL of 1 mM ammonium acetate (for negative ion mode)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Positive C18 cells","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Phenomenex Kinetex C18 2.1 x 150 mm, 1.7 um","SAMPLE_INJECTION":"10 uL"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Resolution 70,000, scan range 65-900 m/z, maximum injection time 200 ms, microscans 2, automatic gain control (AGC) 3 x 10^6 ions, source voltage 4.0 kV, capillary temperature 320 C, and sheath gas 45, auxiliary gas 15, and sweep gas 0 (all nitrogen). Data converted to mzXML using RawConverter. Metabolites were annotated and integrated using Maven in conjunction with the KEGG database."},

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

"Data":[{"Metabolite":"L-alanine","3131-C":"1394870","3053-C":"642160.8","8020-C":"662706.9","2800-C":"353997.2","2608-C":"589131.1","8011-C":"1289504","2785-C":"825037.6","3131-S":"1639252","3053-S":"1168910","8020-S":"474640.5","2800-S":"762908.2","2608-OE":"575526.2","8011-OE":"1662748","2785-OE":"795070.6","8011-DFO":"367612.7","2785-DFO":"236907.7"},{"Metabolite":"L-arginine","3131-C":"8247938","3053-C":"5108756","8020-C":"5985794","2800-C":"4706152","2608-C":"6037014","8011-C":"7437088","2785-C":"5280231","3131-S":"9421848","3053-S":"7288662","8020-S":"4065284","2800-S":"4788732","2608-OE":"10315970","8011-OE":"5636518","2785-OE":"5753910","8011-DFO":"4794000","2785-DFO":"1247301"},{"Metabolite":"L-aspartate","3131-C":"199784.6","3053-C":"162312.7","8020-C":"135187.1","2800-C":"46450.75","2608-C":"175228.6","8011-C":"182523.6","2785-C":"143419.6","3131-S":"236385.6","3053-S":"176740.3","8020-S":"118676","2800-S":"130745","2608-OE":"160260.1","8011-OE":"252496.4","2785-OE":"176298.8","8011-DFO":"19177.29","2785-DFO":"10554.15"},{"Metabolite":"L-cysteine","3131-C":"12543.6","3053-C":"5942.703","8020-C":"15589.54","2800-C":"2348.016","2608-C":"4748.033","8011-C":"11417.46","2785-C":"12418.96","3131-S":"19587.85","3053-S":"3010.508","8020-S":"3090.627","2800-S":"7686.516","2608-OE":"6175.639","8011-OE":"21165.84","2785-OE":"29906.22","8011-DFO":"0","2785-DFO":"1971.223"},{"Metabolite":"L-glutamate","3131-C":"708781.8","3053-C":"733270.2","8020-C":"560344.2","2800-C":"285781.5","2608-C":"700597.4","8011-C":"1104925","2785-C":"541641.6","3131-S":"702817.9","3053-S":"826049.2","8020-S":"545468.8","2800-S":"417980.7","2608-OE":"630849.6","8011-OE":"2075896","2785-OE":"872355","8011-DFO":"90320.96","2785-DFO":"23054.01"},{"Metabolite":"L-glutamine","3131-C":"329484.8","3053-C":"202852.9","8020-C":"164854.5","2800-C":"63188.84","2608-C":"110184.9","8011-C":"325458.8","2785-C":"153477.6","3131-S":"366816.1","3053-S":"258925.8","8020-S":"108348.5","2800-S":"214680.5","2608-OE":"148603.4","8011-OE":"588892.2","2785-OE":"205289.3","8011-DFO":"30605.46","2785-DFO":"25503.4"},{"Metabolite":"L-histidine","3131-C":"595045.8","3053-C":"215846.9","8020-C":"266861.5","2800-C":"122724.5","2608-C":"236974.3","8011-C":"484027.6","2785-C":"312819.9","3131-S":"685539.5","3053-S":"289588.2","8020-S":"207047.5","2800-S":"344317.9","2608-OE":"190096.8","8011-OE":"741850.3","2785-OE":"396407.7","8011-DFO":"89997.52","2785-DFO":"41373.36"},{"Metabolite":"L-leucine","3131-C":"22351110","3053-C":"13771450","8020-C":"23107780","2800-C":"12518440","2608-C":"22658070","8011-C":"24492090","2785-C":"16746000","3131-S":"41761500","3053-S":"20418500","8020-S":"22749880","2800-S":"14190680","2608-OE":"36035090","8011-OE":"60489810","2785-OE":"57473480","8011-DFO":"24407830","2785-DFO":"15934520"},{"Metabolite":"L-lysine","3131-C":"3023585","3053-C":"1167348","8020-C":"1661334","2800-C":"1107080","2608-C":"1438898","8011-C":"2260802","2785-C":"1847842","3131-S":"3033754","3053-S":"2431644","8020-S":"952384","2800-S":"1230207","2608-OE":"1603175","8011-OE":"4148999","2785-OE":"1707987","8011-DFO":"598074.3","2785-DFO":"252483.2"},{"Metabolite":"L-methionine","3131-C":"7627614","3053-C":"4030720","8020-C":"6883802","2800-C":"2838006","2608-C":"5509904","8011-C":"4805764","2785-C":"5102346","3131-S":"10895320","3053-S":"6345024","8020-S":"5159382","2800-S":"3191818","2608-OE":"9764575","8011-OE":"17909760","2785-OE":"11232810","8011-DFO":"2817628","2785-DFO":"2195209"},{"Metabolite":"L-phenylalanine","3131-C":"11867340","3053-C":"7083766","8020-C":"13279190","2800-C":"6410746","2608-C":"10994660","8011-C":"10846680","2785-C":"9830893","3131-S":"19569870","3053-S":"10134230","8020-S":"11952720","2800-S":"7746730","2608-OE":"17320020","8011-OE":"34635640","2785-OE":"24264960","8011-DFO":"11156880","2785-DFO":"7399784"},{"Metabolite":"L-proline","3131-C":"4681374","3053-C":"1849010","8020-C":"3541365","2800-C":"2403705","2608-C":"4128764","8011-C":"5039422","2785-C":"3085484","3131-S":"5673266","3053-S":"3804539","8020-S":"3112182","2800-S":"2204146","2608-OE":"5104068","8011-OE":"8670598","2785-OE":"4428802","8011-DFO":"1431653","2785-DFO":"458212.2"},{"Metabolite":"L-serine","3131-C":"534987.7","3053-C":"178115.2","8020-C":"185656.8","2800-C":"98310.73","2608-C":"198243.1","8011-C":"380796.2","2785-C":"204870.8","3131-S":"706548.3","3053-S":"309839.6","8020-S":"139781","2800-S":"336755.4","2608-OE":"78465.09","8011-OE":"370305.2","2785-OE":"206716.5","8011-DFO":"21674.05","2785-DFO":"21933.94"},{"Metabolite":"L-threonine","3131-C":"604628.6","3053-C":"320930.8","8020-C":"331028.7","2800-C":"145964.5","2608-C":"297857","8011-C":"651163.7","2785-C":"367131.2","3131-S":"714725.9","3053-S":"523785.8","8020-S":"308851.1","2800-S":"338351.7","2608-OE":"454231.6","8011-OE":"1025876","2785-OE":"531475.6","8011-DFO":"59981.06","2785-DFO":"51714.04"},{"Metabolite":"L-tryptophan","3131-C":"1734318","3053-C":"1528852","8020-C":"2994711","2800-C":"1227732","2608-C":"1977812","8011-C":"2373319","2785-C":"1677543","3131-S":"3013594","3053-S":"1660680","8020-S":"2798087","2800-S":"1939127","2608-OE":"3625470","8011-OE":"6952002","2785-OE":"3884039","8011-DFO":"3463005","2785-DFO":"2036197"},{"Metabolite":"L-tyrosine","3131-C":"8350740","3053-C":"5476158","8020-C":"7717862","2800-C":"4539870","2608-C":"6140468","8011-C":"6878376","2785-C":"6189464","3131-S":"14178030","3053-S":"7140756","8020-S":"8370718","2800-S":"4689593","2608-OE":"10001710","8011-OE":"19776550","2785-OE":"12123900","8011-DFO":"5638474","2785-DFO":"3627009"},{"Metabolite":"L-valine","3131-C":"5617718","3053-C":"2726461","8020-C":"5114074","2800-C":"3132586","2608-C":"5038132","8011-C":"4141889","2785-C":"4394392","3131-S":"8360836","3053-S":"4208964","8020-S":"4463838","2800-S":"2722321","2608-OE":"9381483","8011-OE":"12520660","2785-OE":"6279306","8011-DFO":"7505288","2785-DFO":"5169198"},{"Metabolite":"AMP","3131-C":"786043.8","3053-C":"355983.4","8020-C":"743383.9","2800-C":"1168331","2608-C":"1499917","8011-C":"405260.1","2785-C":"259537.8","3131-S":"501885.5","3053-S":"1280845","8020-S":"453626","2800-S":"181524.3","2608-OE":"2562749","8011-OE":"778820.4","2785-OE":"39758.43","8011-DFO":"146780.5","2785-DFO":"26507.74"},{"Metabolite":"Adenosine","3131-C":"99891","3053-C":"75418.97","8020-C":"100046","2800-C":"85947.11","2608-C":"258222.9","8011-C":"103329.8","2785-C":"79087.68","3131-S":"127625.3","3053-S":"80708.41","8020-S":"75470.96","2800-S":"39378.36","2608-OE":"397891.8","8011-OE":"245508.9","2785-OE":"61589.99","8011-DFO":"113528.5","2785-DFO":"80267.3"},{"Metabolite":"Adenine","3131-C":"242639.9","3053-C":"111114.2","8020-C":"156816.2","2800-C":"168486.7","2608-C":"233050.3","8011-C":"198168.5","2785-C":"164525.1","3131-S":"143390.7","3053-S":"99985.45","8020-S":"951040","2800-S":"101753.7","2608-OE":"264080.1","8011-OE":"654612.8","2785-OE":"329770.8","8011-DFO":"149775.6","2785-DFO":"96067.73"},{"Metabolite":"GMP","3131-C":"810306.3","3053-C":"647078.8","8020-C":"1049063","2800-C":"361338.7","2608-C":"803912.8","8011-C":"402963.6","2785-C":"605511.2","3131-S":"678040.8","3053-S":"444570.2","8020-S":"665138.9","2800-S":"469139.3","2608-OE":"1304861","8011-OE":"1458505","2785-OE":"160413.5","8011-DFO":"43090.61","2785-DFO":"15691.17"},{"Metabolite":"Guanosine","3131-C":"526852","3053-C":"527860.5","8020-C":"675011","2800-C":"437687.4","2608-C":"279383.5","8011-C":"750458.3","2785-C":"620114.1","3131-S":"1228379","3053-S":"945018.5","8020-S":"936101.4","2800-S":"436809","2608-OE":"370229.4","8011-OE":"1734660","2785-OE":"1861026","8011-DFO":"140423.6","2785-DFO":"88015.9"},{"Metabolite":"Guanine","3131-C":"1085336","3053-C":"851531.1","8020-C":"1396743","2800-C":"1141129","2608-C":"1108107","8011-C":"1284331","2785-C":"1713328","3131-S":"1763761","3053-S":"880248.6","8020-S":"1406041","2800-S":"870211.2","2608-OE":"1122202","8011-OE":"2880758","2785-OE":"1579548","8011-DFO":"68359.55","2785-DFO":"42479.15"},{"Metabolite":"CMP","3131-C":"20868.21","3053-C":"13842.97","8020-C":"23182.65","2800-C":"13144.24","2608-C":"23216.22","8011-C":"17982.11","2785-C":"8950.209","3131-S":"12574.28","3053-S":"9784.118","8020-S":"15152.23","2800-S":"11296.63","2608-OE":"28060.71","8011-OE":"30263.62","2785-OE":"27728.69","8011-DFO":"5819.746","2785-DFO":"0"},{"Metabolite":"Cytidine","3131-C":"381454.6","3053-C":"66127.35","8020-C":"864474.6","2800-C":"91047.02","2608-C":"181756.9","8011-C":"508267.4","2785-C":"365243","3131-S":"773900.6","3053-S":"13447.22","8020-S":"1297472","2800-S":"169174.5","2608-OE":"430142.9","8011-OE":"1711571","2785-OE":"772019","8011-DFO":"72973.85","2785-DFO":"21811.92"},{"Metabolite":"Cytosine","3131-C":"149325.5","3053-C":"30709.59","8020-C":"341513.5","2800-C":"40442.03","2608-C":"91337.91","8011-C":"198162.4","2785-C":"135669.7","3131-S":"304735.5","3053-S":"12487.8","8020-S":"504071.9","2800-S":"59729.56","2608-OE":"183966.7","8011-OE":"786380.1","2785-OE":"275057.8","8011-DFO":"31770.18","2785-DFO":"16071.67"},{"Metabolite":"Thymidine","3131-C":"40031.23","3053-C":"56853.39","8020-C":"117967.1","2800-C":"99407.82","2608-C":"64016.9","8011-C":"73324.16","2785-C":"53010.89","3131-S":"94572.35","3053-S":"74387.38","8020-S":"95556.44","2800-S":"85162.84","2608-OE":"0","8011-OE":"106085.2","2785-OE":"43713.2","8011-DFO":"68076.74","2785-DFO":"90504.09"},{"Metabolite":"UMP","3131-C":"320899.2","3053-C":"385451.7","8020-C":"542248.1","2800-C":"118334.5","2608-C":"295279","8011-C":"256703","2785-C":"194690.2","3131-S":"257150.5","3053-S":"296142.9","8020-S":"376136.5","2800-S":"228894.8","2608-OE":"330352.8","8011-OE":"587016","2785-OE":"90663.62","8011-DFO":"11742.59","2785-DFO":"0"},{"Metabolite":"Uracil","3131-C":"950460","3053-C":"394787.4","8020-C":"380899","2800-C":"189212.4","2608-C":"1293481","8011-C":"216569","2785-C":"547111.7","3131-S":"469859.8","3053-S":"529492.7","8020-S":"391708.3","2800-S":"500794.8","2608-OE":"261287.9","8011-OE":"1116487","2785-OE":"462709","8011-DFO":"430315.5","2785-DFO":"585025.6"},{"Metabolite":"IMP","3131-C":"16899.34","3053-C":"16183.25","8020-C":"29388.28","2800-C":"21585.17","2608-C":"37170.39","8011-C":"12033.92","2785-C":"65350.66","3131-S":"14198.77","3053-S":"35068.71","8020-S":"23700.36","2800-S":"10573.08","2608-OE":"44980.97","8011-OE":"53363.43","2785-OE":"1303.946","8011-DFO":"2965.612","2785-DFO":"15307.06"},{"Metabolite":"Inosine","3131-C":"1812214","3053-C":"4032704","8020-C":"3573686","2800-C":"1587827","2608-C":"3425366","8011-C":"3311311","2785-C":"2270113","3131-S":"3743154","3053-S":"3057322","8020-S":"4237471","2800-S":"2088224","2608-OE":"4471642","8011-OE":"7547638","2785-OE":"6667248","8011-DFO":"403001.2","2785-DFO":"266718.2"},{"Metabolite":"Hypoxanthine","3131-C":"21821320","3053-C":"11448840","8020-C":"22205290","2800-C":"14349060","2608-C":"20833070","8011-C":"11073000","2785-C":"23015750","3131-S":"19122600","3053-S":"15408660","8020-S":"13543250","2800-S":"10004030","2608-OE":"35777900","8011-OE":"35117380","2785-OE":"18461590","8011-DFO":"1241120","2785-DFO":"1146184"},{"Metabolite":"Xanthine","3131-C":"291307.8","3053-C":"156307.7","8020-C":"293687.5","2800-C":"123731.3","2608-C":"227317","8011-C":"104710.2","2785-C":"297860.6","3131-S":"317152.6","3053-S":"210802.7","8020-S":"147530.5","2800-S":"200207.2","2608-OE":"154770.7","8011-OE":"670538.5","2785-OE":"122858.1","8011-DFO":"83980.04","2785-DFO":"28730.89"},{"Metabolite":"Allantoate","3131-C":"93147.34","3053-C":"60510.89","8020-C":"50012.11","2800-C":"50104.83","2608-C":"87492.55","8011-C":"72579.7","2785-C":"89752.84","3131-S":"189084.5","3053-S":"63896.93","8020-S":"71482.52","2800-S":"105268.8","2608-OE":"55992","8011-OE":"113170.6","2785-OE":"145771.3","8011-DFO":"33946.94","2785-DFO":"9350.521"},{"Metabolite":"Pyridoxal","3131-C":"236670.7","3053-C":"180122.8","8020-C":"254176.5","2800-C":"180152.4","2608-C":"422726.2","8011-C":"85160.16","2785-C":"177537.7","3131-S":"226196.1","3053-S":"297384.8","8020-S":"310121.1","2800-S":"166313.7","2608-OE":"655058.1","8011-OE":"195758.7","2785-OE":"214035.7","8011-DFO":"79772.13","2785-DFO":"6438.059"},{"Metabolite":"Nicotinamide","3131-C":"3172203","3053-C":"4674658","8020-C":"2173945","2800-C":"2876069","2608-C":"2611014","8011-C":"1968554","2785-C":"2838211","3131-S":"1897534","3053-S":"8838813","8020-S":"1821173","2800-S":"2420135","2608-OE":"4201154","8011-OE":"5512142","2785-OE":"3131609","8011-DFO":"1555360","2785-DFO":"1505975"},{"Metabolite":"NAD+","3131-C":"175558.2","3053-C":"194380","8020-C":"288239.4","2800-C":"121549.3","2608-C":"336577.5","8011-C":"248258.9","2785-C":"205675.1","3131-S":"226660.1","3053-S":"82731.18","8020-S":"240048","2800-S":"148946.2","2608-OE":"482972.5","8011-OE":"591422.4","2785-OE":"321035.8","8011-DFO":"5280.637","2785-DFO":"10228.52"},{"Metabolite":"NADH","3131-C":"69720.66","3053-C":"20825.53","8020-C":"81565.52","2800-C":"35498.69","2608-C":"81006.32","8011-C":"53943.92","2785-C":"56234.75","3131-S":"76474.91","3053-S":"12788","8020-S":"86993.99","2800-S":"44478.35","2608-OE":"91655.19","8011-OE":"109843.9","2785-OE":"88112.87","8011-DFO":"0","2785-DFO":"1775.906"},{"Metabolite":"D-Ribose","3131-C":"361684.8","3053-C":"190306.5","8020-C":"361259.8","2800-C":"162156.2","2608-C":"274181.7","8011-C":"232010.5","2785-C":"258267.4","3131-S":"501890.3","3053-S":"286393.5","8020-S":"240895.9","2800-S":"157275.6","2608-OE":"394881.8","8011-OE":"882546.1","2785-OE":"567749.5","8011-DFO":"142448.2","2785-DFO":"103411.5"},{"Metabolite":"D-Rhamnose","3131-C":"2597052","3053-C":"2323365","8020-C":"1436546","2800-C":"3222123","2608-C":"2279094","8011-C":"1784322","2785-C":"3684868","3131-S":"2482064","3053-S":"2464370","8020-S":"1576622","2800-S":"3211570","2608-OE":"2926538","8011-OE":"3855858","2785-OE":"2747291","8011-DFO":"1930727","2785-DFO":"3051595"},{"Metabolite":"2-Hydroxyglutarate/Citramalate","3131-C":"184099.4","3053-C":"130604.6","8020-C":"129299.1","2800-C":"117616","2608-C":"101568.5","8011-C":"92551.25","2785-C":"141540.7","3131-S":"147698.7","3053-S":"132713.6","8020-S":"126714.8","2800-S":"113680.9","2608-OE":"101175.3","8011-OE":"100521.2","2785-OE":"112834.9","8011-DFO":"116195.9","2785-DFO":"112944.1"},{"Metabolite":"D-Erythrose 4-phosphate","3131-C":"268685.3","3053-C":"184982.1","8020-C":"136960.9","2800-C":"128368.2","2608-C":"308343.3","8011-C":"177127.2","2785-C":"183701.7","3131-S":"196325.2","3053-S":"194869","8020-S":"182353.4","2800-S":"214588.1","2608-OE":"110763.6","8011-OE":"207463.5","2785-OE":"182820","8011-DFO":"110429.9","2785-DFO":"115427.2"},{"Metabolite":"Glutathione","3131-C":"239974.4","3053-C":"431834.5","8020-C":"618113.6","2800-C":"139088.7","2608-C":"470308.6","8011-C":"160602.7","2785-C":"441001.8","3131-S":"387305.2","3053-S":"217187.2","8020-S":"444895.5","2800-S":"242082.2","2608-OE":"968585.3","8011-OE":"878422.3","2785-OE":"852956","8011-DFO":"38792.17","2785-DFO":"22719.55"},{"Metabolite":"5-Oxoproline","3131-C":"7120034","3053-C":"2501184","8020-C":"3256012","2800-C":"4671483","2608-C":"5950620","8011-C":"3741755","2785-C":"5893068","3131-S":"9499845","3053-S":"3650006","8020-S":"3844694","2800-S":"4104653","2608-OE":"3853086","8011-OE":"6342326","2785-OE":"4379630","8011-DFO":"4179596","2785-DFO":"2912056"},{"Metabolite":"gamma-Glutamyl-Se-methylselenocysteine","3131-C":"33893.44","3053-C":"18238.8","8020-C":"23739.77","2800-C":"16993.27","2608-C":"15804.55","8011-C":"35031.3","2785-C":"23474.77","3131-S":"83620.76","3053-S":"32232.49","8020-S":"15246.24","2800-S":"31552.93","2608-OE":"7694.542","8011-OE":"24981.81","2785-OE":"75270.31","8011-DFO":"6315.346","2785-DFO":"0"},{"Metabolite":"gamma-Glutamyl-gamma-aminobutyrate","3131-C":"149862.2","3053-C":"150861.3","8020-C":"205978.2","2800-C":"167759.6","2608-C":"206355.4","8011-C":"195820.9","2785-C":"188971.4","3131-S":"210506.9","3053-S":"101365","8020-S":"198248.6","2800-S":"165981.7","2608-OE":"496374.1","8011-OE":"451461.9","2785-OE":"807425","8011-DFO":"45168.23","2785-DFO":"41740.02"},{"Metabolite":"gamma-L-Glutamylputrescine","3131-C":"441246.4","3053-C":"184522.5","8020-C":"253989.7","2800-C":"261584.1","2608-C":"214602.8","8011-C":"426940.2","2785-C":"337674.2","3131-S":"422105.8","3053-S":"419228.7","8020-S":"128905","2800-S":"310505","2608-OE":"290537.1","8011-OE":"415644.3","2785-OE":"277836.9","8011-DFO":"306202.2","2785-DFO":"86933.87"},{"Metabolite":"Phosphoserine","3131-C":"853451.2","3053-C":"470397.9","8020-C":"412509.7","2800-C":"381450.9","2608-C":"834087.8","8011-C":"427473.8","2785-C":"677058.9","3131-S":"525681.5","3053-S":"440282.8","8020-S":"385750.8","2800-S":"626751.1","2608-OE":"255162.6","8011-OE":"731117.7","2785-OE":"426641.3","8011-DFO":"274259.3","2785-DFO":"489383.5"},{"Metabolite":"S-Adenosyl-L-homocysteine","3131-C":"2293523","3053-C":"1718513","8020-C":"5584282","2800-C":"1775775","2608-C":"4734918","8011-C":"1478996","2785-C":"1810383","3131-S":"2901183","3053-S":"3933648","8020-S":"5045360","2800-S":"2383497","2608-OE":"5380134","8011-OE":"3221374","2785-OE":"3043531","8011-DFO":"15472560","2785-DFO":"11436480"},{"Metabolite":"Ornithine","3131-C":"327036.4","3053-C":"154884.5","8020-C":"141848.4","2800-C":"129540.8","2608-C":"279727","8011-C":"243505.8","2785-C":"362188.7","3131-S":"453523.3","3053-S":"196719.2","8020-S":"198174.7","2800-S":"296200.5","2608-OE":"169721","8011-OE":"406343.6","2785-OE":"474537.7","8011-DFO":"107404.2","2785-DFO":"60609.99"},{"Metabolite":"Cadaverine","3131-C":"59512.21","3053-C":"23458.1","8020-C":"24528.06","2800-C":"74841.68","2608-C":"64906.53","8011-C":"46413.8","2785-C":"42087.61","3131-S":"43399.56","3053-S":"20060.74","8020-S":"42773.28","2800-S":"144701.9","2608-OE":"12905.16","8011-OE":"46833.98","2785-OE":"20870.58","8011-DFO":"8322.537","2785-DFO":"0"},{"Metabolite":"Putrescine","3131-C":"667194.2","3053-C":"790606.3","8020-C":"1114921","2800-C":"564017.4","2608-C":"537769.2","8011-C":"546459.2","2785-C":"425402.5","3131-S":"712869.4","3053-S":"752584.7","8020-S":"1485194","2800-S":"627524.4","2608-OE":"1143574","8011-OE":"1968926","2785-OE":"770436","8011-DFO":"486826.8","2785-DFO":"302293.8"},{"Metabolite":"Spermidine","3131-C":"878023.2","3053-C":"1408578","8020-C":"1099515","2800-C":"825792.6","2608-C":"2107876","8011-C":"1230864","2785-C":"673760.9","3131-S":"762734.4","3053-S":"934261.8","8020-S":"1397000","2800-S":"1340969","2608-OE":"3103693","8011-OE":"3663113","2785-OE":"1911149","8011-DFO":"1513475","2785-DFO":"474850.6"},{"Metabolite":"Spermine","3131-C":"188896.9","3053-C":"250134.8","8020-C":"86318.01","2800-C":"113757.9","2608-C":"450946.7","8011-C":"162099.6","2785-C":"161844","3131-S":"96791.29","3053-S":"114732.6","8020-S":"101956.6","2800-S":"129812.2","2608-OE":"207031.9","8011-OE":"378291.8","2785-OE":"224793.8","8011-DFO":"437110.3","2785-DFO":"283501.1"},{"Metabolite":"N-Glycoloyl-neuraminate","3131-C":"29768.22","3053-C":"22430.12","8020-C":"10522.5","2800-C":"62798.39","2608-C":"31380.25","8011-C":"17091.05","2785-C":"70720.31","3131-S":"44264.02","3053-S":"51003.48","8020-S":"13627.84","2800-S":"51767.25","2608-OE":"54664.2","8011-OE":"65083.72","2785-OE":"80964.3","8011-DFO":"18024","2785-DFO":"58709.83"},{"Metabolite":"Phosphocreatine","3131-C":"72138.76","3053-C":"69160.13","8020-C":"68562.72","2800-C":"34044.73","2608-C":"253398.6","8011-C":"346616.5","2785-C":"158962","3131-S":"70047.6","3053-S":"62722.19","8020-S":"51233.32","2800-S":"83852.74","2608-OE":"183968.3","8011-OE":"177411.9","2785-OE":"188474.8","8011-DFO":"0","2785-DFO":"1673.89"},{"Metabolite":"Creatine","3131-C":"1969203","3053-C":"1890443","8020-C":"1338884","2800-C":"671396.6","2608-C":"6369002","8011-C":"6658642","2785-C":"2476293","3131-S":"2666842","3053-S":"1596409","8020-S":"1998806","2800-S":"672537.8","2608-OE":"9151807","8011-OE":"13079820","2785-OE":"3979790","8011-DFO":"674627.2","2785-DFO":"308225.9"},{"Metabolite":"Pantothenol","3131-C":"1152383","3053-C":"1437647","8020-C":"1967930","2800-C":"1082514","2608-C":"2196990","8011-C":"1722120","2785-C":"1691856","3131-S":"1220086","3053-S":"1552096","8020-S":"1868687","2800-S":"1012058","2608-OE":"2786493","8011-OE":"4671024","2785-OE":"1816706","8011-DFO":"202964.8","2785-DFO":"172232.7"},{"Metabolite":"L-Cysteate","3131-C":"349168.3","3053-C":"77938.91","8020-C":"100442.3","2800-C":"62798.8","2608-C":"259904.2","8011-C":"92789.12","2785-C":"221040.8","3131-S":"105003.5","3053-S":"121120.7","8020-S":"103741.7","2800-S":"132310.3","2608-OE":"51368.79","8011-OE":"264803.1","2785-OE":"114723","8011-DFO":"59041.17","2785-DFO":"108450.4"},{"Metabolite":"Indole-3-acetaldehyde","3131-C":"76226.31","3053-C":"40196.24","8020-C":"51354.8","2800-C":"53576.11","2608-C":"55940.62","8011-C":"71570.41","2785-C":"72514.65","3131-S":"120974.9","3053-S":"35038.69","8020-S":"27104.77","2800-S":"44987.29","2608-OE":"64149.64","8011-OE":"139859.7","2785-OE":"82857.12","8011-DFO":"4589.074","2785-DFO":"2035.615"},{"Metabolite":"Indolepyruvate","3131-C":"77440.82","3053-C":"52057.09","8020-C":"91783.87","2800-C":"46137.36","2608-C":"79036.47","8011-C":"84108.23","2785-C":"58588.67","3131-S":"137386.4","3053-S":"59254.75","8020-S":"109517.4","2800-S":"50353.22","2608-OE":"204903.5","8011-OE":"199909.2","2785-OE":"162263.5","8011-DFO":"197083.5","2785-DFO":"127548.8"},{"Metabolite":"6-Hydroxykynurenic acid","3131-C":"108202.6","3053-C":"28085.67","8020-C":"70970.87","2800-C":"26760.82","2608-C":"48475.11","8011-C":"46688.89","2785-C":"46382.83","3131-S":"201309.5","3053-S":"81203.29","8020-S":"45613.24","2800-S":"27138.16","2608-OE":"118127.9","8011-OE":"243464.9","2785-OE":"44453.18","8011-DFO":"0","2785-DFO":"3258.791"},{"Metabolite":"L-Tryptophanamide","3131-C":"9614.504","3053-C":"17011.92","8020-C":"13043.06","2800-C":"13649.12","2608-C":"11662.38","8011-C":"7948.461","2785-C":"19006.9","3131-S":"15944.93","3053-S":"9581.708","8020-S":"16272.32","2800-S":"18116.06","2608-OE":"10655.37","8011-OE":"7169.012","2785-OE":"11814.73","8011-DFO":"58787.98","2785-DFO":"11700.38"},{"Metabolite":"kynurenine","3131-C":"401902.5","3053-C":"19172.33","8020-C":"26651.16","2800-C":"25123.55","2608-C":"79001.17","8011-C":"27695.92","2785-C":"18121.14","3131-S":"52504.01","3053-S":"33849.85","8020-S":"18481.56","2800-S":"22346.01","2608-OE":"173560.2","8011-OE":"154755.2","2785-OE":"29425.83","8011-DFO":"11019.02","2785-DFO":"14455.9"},{"Metabolite":"N-formyl kynurenine","3131-C":"290241.9","3053-C":"205755.6","8020-C":"285133.3","2800-C":"175318.6","2608-C":"241555.5","8011-C":"313482.2","2785-C":"288666.3","3131-S":"408725.5","3053-S":"149775.5","8020-S":"198087.8","2800-S":"201896.4","2608-OE":"420336.7","8011-OE":"540833.8","2785-OE":"580900.6","8011-DFO":"93233.27","2785-DFO":"18752.2"},{"Metabolite":"Picolinic acid","3131-C":"1973864","3053-C":"1169247","8020-C":"2228961","2800-C":"1297834","2608-C":"1112879","8011-C":"1631463","2785-C":"2579189","3131-S":"2560055","3053-S":"1424125","8020-S":"1177274","2800-S":"1400615","2608-OE":"1544939","8011-OE":"4190363","2785-OE":"1147474","8011-DFO":"495768.5","2785-DFO":"546027.2"},{"Metabolite":"g-Oxalo-crotonate","3131-C":"905131.5","3053-C":"546228.2","8020-C":"1100547","2800-C":"623927.5","2608-C":"1037281","8011-C":"585435.3","2785-C":"902790.4","3131-S":"741151.1","3053-S":"806866.2","8020-S":"729924.9","2800-S":"488086.3","2608-OE":"1923924","8011-OE":"1187336","2785-OE":"388741","8011-DFO":"73811.13","2785-DFO":"125988.7"},{"Metabolite":"2-Aminomuconate","3131-C":"23148.5","3053-C":"37217.18","8020-C":"43433.77","2800-C":"26135.29","2608-C":"95550.54","8011-C":"29021.28","2785-C":"26257.53","3131-S":"35322.04","3053-S":"32699.05","8020-S":"31808.63","2800-S":"21694.26","2608-OE":"139580.4","8011-OE":"58840.73","2785-OE":"15699.81","8011-DFO":"6139.886","2785-DFO":"1532.672"},{"Metabolite":"8-Methoxykynurenate","3131-C":"147672.3","3053-C":"136747.6","8020-C":"108974","2800-C":"184487.8","2608-C":"138790.7","8011-C":"108318.9","2785-C":"194069.2","3131-S":"188799.1","3053-S":"164064.2","8020-S":"131760.5","2800-S":"191738.7","2608-OE":"209818.7","8011-OE":"223437.6","2785-OE":"180089.6","8011-DFO":"101196.7","2785-DFO":"159709.8"},{"Metabolite":"Glycerol 3-phosphate","3131-C":"131132.5","3053-C":"72244.07","8020-C":"93734.32","2800-C":"30529.59","2608-C":"59369.68","8011-C":"105833.6","2785-C":"109198.3","3131-S":"55674.23","3053-S":"106566.5","8020-S":"106383.1","2800-S":"109645.5","2608-OE":"57557.33","8011-OE":"102906.5","2785-OE":"117154.4","8011-DFO":"53741.91","2785-DFO":"93257.9"},{"Metabolite":"Ethanolamine phosphate","3131-C":"79991.78","3053-C":"97547.76","8020-C":"46379","2800-C":"26781.53","2608-C":"113098.2","8011-C":"147147.8","2785-C":"109404.6","3131-S":"98455.01","3053-S":"83789.21","8020-S":"43478.25","2800-S":"55865.59","2608-OE":"90095.23","8011-OE":"252243.9","2785-OE":"110230.1","8011-DFO":"0","2785-DFO":"0"},{"Metabolite":"Acetylcholine","3131-C":"2572460","3053-C":"2134411","8020-C":"2395445","2800-C":"2725674","2608-C":"2380433","8011-C":"2278990","2785-C":"2732356","3131-S":"2722663","3053-S":"2324477","8020-S":"2437123","2800-S":"2152514","2608-OE":"2675989","8011-OE":"2493251","2785-OE":"2091784","8011-DFO":"2438938","2785-DFO":"2441145"},{"Metabolite":"Choline","3131-C":"6907438","3053-C":"3640379","8020-C":"4489882","2800-C":"2782167","2608-C":"10478250","8011-C":"6021286","2785-C":"5137419","3131-S":"7238834","3053-S":"3621472","8020-S":"4650400","2800-S":"2887835","2608-OE":"8193850","8011-OE":"10190700","2785-OE":"6171624","8011-DFO":"3494800","2785-DFO":"2140155"},{"Metabolite":"L-Carnitine","3131-C":"2201662","3053-C":"4351661","8020-C":"1995679","2800-C":"1262571","2608-C":"5737494","8011-C":"6382450","2785-C":"3852217","3131-S":"3735686","3053-S":"3399124","8020-S":"2513294","2800-S":"712568.6","2608-OE":"9818425","8011-OE":"14097950","2785-OE":"6364956","8011-DFO":"1331021","2785-DFO":"691760.7"},{"Metabolite":"acyl-C2 (acetyl-carnitine)","3131-C":"1557124","3053-C":"1507948","8020-C":"1405647","2800-C":"889855.8","2608-C":"6332562","8011-C":"3429331","2785-C":"4722648","3131-S":"3277366","3053-S":"1755900","8020-S":"2144704","2800-S":"1002549","2608-OE":"7717134","8011-OE":"6468996","2785-OE":"5536604","8011-DFO":"380763.2","2785-DFO":"470253.2"},{"Metabolite":"acyl-C3 (propionyl-carnitine)","3131-C":"109795.1","3053-C":"129266.9","8020-C":"155105","2800-C":"224607.7","2608-C":"299744.3","8011-C":"72229.91","2785-C":"152743.8","3131-S":"124632.1","3053-S":"134403.1","8020-S":"181352.8","2800-S":"91445.41","2608-OE":"470263.9","8011-OE":"98416.48","2785-OE":"129186.7","8011-DFO":"1190351","2785-DFO":"383345.9"},{"Metabolite":"acyl-C5 (isovalerylcarnitine)","3131-C":"325608.9","3053-C":"194959.2","8020-C":"321962.7","2800-C":"225572.8","2608-C":"804271.4","8011-C":"665647.2","2785-C":"256748.1","3131-S":"426138.7","3053-S":"242625.3","8020-S":"170081.9","2800-S":"223351.2","2608-OE":"925889","8011-OE":"1625648","2785-OE":"370832.3","8011-DFO":"78003.53","2785-DFO":"126242.1"},{"Metabolite":"acyl-C5-OH","3131-C":"113649.1","3053-C":"109509.4","8020-C":"124805.4","2800-C":"45065.64","2608-C":"179863.3","8011-C":"148178.3","2785-C":"129065.6","3131-S":"104868.6","3053-S":"64985.28","8020-S":"71288.48","2800-S":"28562.41","2608-OE":"260288.7","8011-OE":"461519.5","2785-OE":"183942.1","8011-DFO":"32792.95","2785-DFO":"13894.85"},{"Metabolite":"acyl-C8 (L-octanoylcarnitine","3131-C":"46643.54","3053-C":"31976.71","8020-C":"35088.6","2800-C":"40925.22","2608-C":"46985.72","8011-C":"143175.5","2785-C":"50993.5","3131-S":"44272.29","3053-S":"38847.38","8020-S":"41207.43","2800-S":"41381.93","2608-OE":"60929.94","8011-OE":"160299.9","2785-OE":"42029.97","8011-DFO":"40959.84","2785-DFO":"54429.7"}],

"Metabolites":[{"Metabolite":"L-alanine","KEGG or HMDB ID":"C00041","mz":"90.05491","r.t.":"0.6779245"},{"Metabolite":"L-arginine","KEGG or HMDB ID":"C00062","mz":"175.1188","r.t.":"0.7161627"},{"Metabolite":"L-aspartate","KEGG or HMDB ID":"C00049","mz":"134.0447","r.t.":"0.6797156"},{"Metabolite":"L-cysteine","KEGG or HMDB ID":"C00097","mz":"122.0268","r.t.":"0.6872774"},{"Metabolite":"L-glutamate","KEGG or HMDB ID":"C00025","mz":"148.0604","r.t.":"0.6628442"},{"Metabolite":"L-glutamine","KEGG or HMDB ID":"C00064","mz":"147.0764","r.t.":"0.6685758"},{"Metabolite":"L-histidine","KEGG or HMDB ID":"C00135","mz":"156.0767","r.t.":"0.6225535"},{"Metabolite":"L-leucine","KEGG or HMDB ID":"C00123","mz":"132.1018","r.t.":"0.9017441"},{"Metabolite":"L-lysine","KEGG or HMDB ID":"C00047","mz":"147.1128","r.t.":"0.6172649"},{"Metabolite":"L-methionine","KEGG or HMDB ID":"C00073","mz":"150.0579","r.t.":"0.8389741"},{"Metabolite":"L-phenylalanine","KEGG or HMDB ID":"C00079","mz":"166.0861","r.t.":"1.204276"},{"Metabolite":"L-proline","KEGG or HMDB ID":"C00148","mz":"116.0705","r.t.":"0.698332"},{"Metabolite":"L-serine","KEGG or HMDB ID":"C00065","mz":"106.0498","r.t.":"0.6535617"},{"Metabolite":"L-threonine","KEGG or HMDB ID":"C00188","mz":"120.0654","r.t.":"0.675713"},{"Metabolite":"L-tryptophan","KEGG or HMDB ID":"C00078","mz":"205.0972","r.t.":"1.722354"},{"Metabolite":"L-tyrosine","KEGG or HMDB ID":"C00082","mz":"182.081","r.t.":"0.835659"},{"Metabolite":"L-valine","KEGG or HMDB ID":"C00183","mz":"118.0861","r.t.":"0.7837732"},{"Metabolite":"AMP","KEGG or HMDB ID":"C00020","mz":"322.287","r.t.":"0.8388605"},{"Metabolite":"Adenosine","KEGG or HMDB ID":"C00212","mz":"268.1034","r.t.":"0.9370806"},{"Metabolite":"Adenine","KEGG or HMDB ID":"C00147","mz":"136.0618","r.t.":"0.7741771"},{"Metabolite":"GMP","KEGG or HMDB ID":"C00144","mz":"364.0646","r.t.":"0.820283"},{"Metabolite":"Guanosine","KEGG or HMDB ID":"C00387","mz":"284.0984","r.t.":"0.8816555"},{"Metabolite":"Guanine","KEGG or HMDB ID":"C00242","mz":"147.5839","r.t.":"0.8134825"},{"Metabolite":"CMP","KEGG or HMDB ID":"C00055","mz":"324.0585","r.t.":"0.7118307"},{"Metabolite":"Cytidine","KEGG or HMDB ID":"C00475","mz":"244.0924","r.t.":"0.784355"},{"Metabolite":"Cytosine","KEGG or HMDB ID":"C00380","mz":"112.0504","r.t.":"0.8180215"},{"Metabolite":"Thymidine","KEGG or HMDB ID":"C00214","mz":"243.0988","r.t.":"1.740848"},{"Metabolite":"UMP","KEGG or HMDB ID":"C00105","mz":"325.0425","r.t.":"0.7596968"},{"Metabolite":"Uracil","KEGG or HMDB ID":"C00106","mz":"113.0353","r.t.":"0.6169513"},{"Metabolite":"IMP","KEGG or HMDB ID":"C00130","mz":"349.054","r.t.":"0.8543137"},{"Metabolite":"Inosine","KEGG or HMDB ID":"C00294","mz":"269.0874","r.t.":"0.8995009"},{"Metabolite":"Hypoxanthine","KEGG or HMDB ID":"C00262","mz":"137.0458","r.t.":"0.8259821"},{"Metabolite":"Xanthine","KEGG or HMDB ID":"C00385","mz":"153.0395","r.t.":"0.5960988"},{"Metabolite":"Allantoate","KEGG or HMDB ID":"C00499","mz":"177.061","r.t.":"0.6259226"},{"Metabolite":"Pyridoxal","KEGG or HMDB ID":"C00250","mz":"168.0662","r.t.":"1.738231"},{"Metabolite":"Nicotinamide","KEGG or HMDB ID":"C00153","mz":"123.0552","r.t.":"0.8508586"},{"Metabolite":"NAD+","KEGG or HMDB ID":"C00003","mz":"664.1157","r.t.":"0.8542411"},{"Metabolite":"NADH","KEGG or HMDB ID":"C00004","mz":"666.122","r.t.":"0.825957"},{"Metabolite":"D-Ribose","KEGG or HMDB ID":"C00121","mz":"151.0614","r.t.":"0.866311"},{"Metabolite":"D-Rhamnose","KEGG or HMDB ID":"C01684","mz":"159.5732","r.t.":"1.816772"},{"Metabolite":"2-Hydroxyglutarate/Citramalate","KEGG or HMDB ID":"C02630","mz":"149.0448","r.t.":"1.866428"},{"Metabolite":"D-Erythrose 4-phosphate","KEGG or HMDB ID":"C00279","mz":"201.018","r.t.":"0.5776121"},{"Metabolite":"Glutathione","KEGG or HMDB ID":"C00051","mz":"308.0905","r.t.":"0.8779032"},{"Metabolite":"5-Oxoproline","KEGG or HMDB ID":"C01879","mz":"130.0499","r.t.":"0.8964073"},{"Metabolite":"gamma-Glutamyl-Se-methylselenocysteine","KEGG or HMDB ID":"C05695","mz":"313.0332","r.t.":"0.6346785"},{"Metabolite":"gamma-Glutamyl-gamma-aminobutyrate","KEGG or HMDB ID":"C15767","mz":"233.1131","r.t.":"0.8559681"},{"Metabolite":"gamma-L-Glutamylputrescine","KEGG or HMDB ID":"C15699","mz":"218.1497","r.t.":"0.638459"},{"Metabolite":"Phosphoserine","KEGG or HMDB ID":"C02532","mz":"186.0184","r.t.":"0.5612686"},{"Metabolite":"S-Adenosyl-L-homocysteine","KEGG or HMDB ID":"C00021","mz":"385.1287","r.t.":"1.787342"},{"Metabolite":"Ornithine","KEGG or HMDB ID":"C01602","mz":"133.0971","r.t.":"0.6095124"},{"Metabolite":"Cadaverine","KEGG or HMDB ID":"C01672","mz":"99.43992","r.t.":"0.6189545"},{"Metabolite":"Putrescine","KEGG or HMDB ID":"C00134","mz":"89.10722","r.t.":"0.613614"},{"Metabolite":"Spermidine","KEGG or HMDB ID":"C00315","mz":"146.1651","r.t.":"0.5889667"},{"Metabolite":"Spermine","KEGG or HMDB ID":"C00750","mz":"203.2228","r.t.":"0.5777056"},{"Metabolite":"N-Glycoloyl-neuraminate","KEGG or HMDB ID":"C03410","mz":"326.1081","r.t.":"1.810858"},{"Metabolite":"Phosphocreatine","KEGG or HMDB ID":"C02305","mz":"212.0427","r.t.":"0.7002031"},{"Metabolite":"Creatine","KEGG or HMDB ID":"C00300","mz":"132.0767","r.t.":"0.6880046"},{"Metabolite":"Pantothenol","KEGG or HMDB ID":"C00864","mz":"220.1177","r.t.":"1.648151"},{"Metabolite":"L-Cysteate","KEGG or HMDB ID":"C00506","mz":"170.0109","r.t.":"0.5533939"},{"Metabolite":"Indole-3-acetaldehyde","KEGG or HMDB ID":"C00637","mz":"160.0742","r.t.":"0.7934725"},{"Metabolite":"Indolepyruvate","KEGG or HMDB ID":"C00331","mz":"196.7753","r.t.":"0.9114118"},{"Metabolite":"6-Hydroxykynurenic acid","KEGG or HMDB ID":"C08480","mz":"206.0479","r.t.":"0.8434244"},{"Metabolite":"L-Tryptophanamide","KEGG or HMDB ID":"C00977","mz":"204.1114","r.t.":"0.8113457"},{"Metabolite":"kynurenine","KEGG or HMDB ID":"C00328","mz":"209.0916","r.t.":"1.422276"},{"Metabolite":"N-formyl kynurenine","KEGG or HMDB ID":"C02700","mz":"237.09","r.t.":"0.9814146"},{"Metabolite":"Picolinic acid","KEGG or HMDB ID":"C10164","mz":"124.0402","r.t.":"0.6170921"},{"Metabolite":"g-Oxalo-crotonate","KEGG or HMDB ID":"C03453","mz":"159.0277","r.t.":"0.8818282"},{"Metabolite":"2-Aminomuconate","KEGG or HMDB ID":"C02220","mz":"158.0451","r.t.":"0.8794715"},{"Metabolite":"8-Methoxykynurenate","KEGG or HMDB ID":"C05830","mz":"220.0618","r.t.":"1.814938"},{"Metabolite":"Glycerol 3-phosphate","KEGG or HMDB ID":"C00093","mz":"173.0234","r.t.":"0.5519699"},{"Metabolite":"Ethanolamine phosphate","KEGG or HMDB ID":"C00346","mz":"142.0264","r.t.":"0.6657241"},{"Metabolite":"Acetylcholine","KEGG or HMDB ID":"C01996","mz":"146.1176","r.t.":"0.9223847"},{"Metabolite":"Choline","KEGG or HMDB ID":"C00114","mz":"104.1069","r.t.":"0.6669661"},{"Metabolite":"L-Carnitine","KEGG or HMDB ID":"C00318","mz":"162.1123","r.t.":"0.6691261"},{"Metabolite":"acyl-C2 (acetyl-carnitine)","KEGG or HMDB ID":"C02571","mz":"204.1229","r.t.":"0.925474"},{"Metabolite":"acyl-C3 (propionyl-carnitine)","KEGG or HMDB ID":"C03017","mz":"218.139","r.t.":"1.718795"},{"Metabolite":"acyl-C5 (isovalerylcarnitine)","KEGG or HMDB ID":"C20826","mz":"246.1695","r.t.":"1.763849"},{"Metabolite":"acyl-C5-OH","KEGG or HMDB ID":"ac107","mz":"262.1643","r.t.":"1.09854"},{"Metabolite":"acyl-C8 (L-octanoylcarnitine","KEGG or HMDB ID":"HMDB00791","mz":"288.2162","r.t.":"1.843874"}]
}

}