{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001668","ANALYSIS_ID":"AN002720","VERSION":"1","CREATED_ON":"January 28, 2021, 1:16 pm"},

"PROJECT":{"PROJECT_TITLE":"D-Allulose effects on metabolomics profile in rodents","PROJECT_SUMMARY":"To determine the metabolomics profile after D-allulose intake.","INSTITUTE":"Matsutani Chemical Industry Co., Ltd.","LAST_NAME":"Kanasaki","FIRST_NAME":"Akane","ADDRESS":"5-3 Kita-Itami, Itami, Hyogo, 664-8508, Japan","EMAIL":"akane-kanasaki@matsutani.co.jp","PHONE":"81-72-771-2052"},

"STUDY":{"STUDY_TITLE":"D-Allulose effects on hepatic metabolomics profile in rodents","STUDY_SUMMARY":"To determine the hepatic metabolomics profile after D-allulose intake.","INSTITUTE":"Matsutani Chemical Industry Co., Ltd.","LAST_NAME":"Kanasaki","FIRST_NAME":"Akane","ADDRESS":"5-3 Kita-Itami, Itami, Hyogo, 664-8508, Japan","EMAIL":"akane-kanasaki@matsutani.co.jp","PHONE":"81-72-771-2052"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"C1",
"Factors":{"Diet":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C2",
"Factors":{"Diet":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C3",
"Factors":{"Diet":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C4",
"Factors":{"Diet":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C5",
"Factors":{"Diet":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C6",
"Factors":{"Diet":"control"}
},
{
"Subject ID":"-",
"Sample ID":"P1",
"Factors":{"Diet":"D-Allulose"}
},
{
"Subject ID":"-",
"Sample ID":"P2",
"Factors":{"Diet":"D-Allulose"}
},
{
"Subject ID":"-",
"Sample ID":"P3",
"Factors":{"Diet":"D-Allulose"}
},
{
"Subject ID":"-",
"Sample ID":"P4",
"Factors":{"Diet":"D-Allulose"}
},
{
"Subject ID":"-",
"Sample ID":"P5",
"Factors":{"Diet":"D-Allulose"}
},
{
"Subject ID":"-",
"Sample ID":"P6",
"Factors":{"Diet":"D-Allulose"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The livers were collected and then flash-frozen in liquid N2","SAMPLE_TYPE":"Liver"},

"TREATMENT":{"TREATMENT_SUMMARY":"Seven-week old male Wistar rats were fed AIN-93G-based diets with/without 3% D-allulose, ad libitum for 4 weeks."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"For CE-TOFMS, The frozen tissue was plunged into 50% acetonitrile/Milli-Q water containing internal standards. The tissues were homogenized thrice, and then centrifuged. The upper aqueous layer was centrifugally filtered to remove the proteins. The filtrate was then centrifugally concentrated and re-suspended in 50 µL of Milli-Q water for CE-MS analysis. For LC-TOFMS, the frozen tissue was plunged into 1% formic acid/acetonitrile containing the internal standard solution. Tissue was homogenized thrice, and the mixture was yet again homogenized after adding Milli-Q water and then centrifuged. The supernatant was collected and 500 1% formic acid/acetonitrile and Milli-Q water were added to the precipitate. Homogenization and centrifugation were performed as described previously, and the supernatant was mixed with previously collected one. The mixed supernatant was filtrated to remove the proteins and phospholipids. The filtrate was then desiccated and dissolved in 200 µL of isopropanol/Milli-Q water for LC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Other","INSTRUMENT_NAME":"Agilent CE","COLUMN_NAME":"fused silica capillary (50 μm i.d. × 80 cm)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent CE-TOFMS","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"-"},

"MS_METABOLITE_DATA":{
"Units":"Relative Area",

"Data":[{"Metabolite":"Urea","C1":"0.115","C2":"0.089","C3":"0.076","C4":"0.072","C5":"0.094","C6":"0.099","P1":"0.131","P2":"0.129","P3":"0.131","P4":"0.09","P5":"0.059","P6":"0.057"},{"Metabolite":"Ethanolamine","C1":"0.00569","C2":"0.00408","C3":"0.00799","C4":"0.00368","C5":"0.00593","C6":"0.00369","P1":"0.00344","P2":"0.00511","P3":"0.00566","P4":"0.00636","P5":"0.00391","P6":"0.00501"},{"Metabolite":"72.1_6.3","C1":"0.000099","C2":"0.00006","C3":"","C4":"0.000059","C5":"0.000079","C6":"0.000096","P1":"","P2":"","P3":"","P4":"","P5":"","P6":""},{"Metabolite":"Glycine","C1":"0.1053","C2":"0.091","C3":"0.1026","C4":"0.0982","C5":"0.0846","C6":"0.1137","P1":"0.0827","P2":"0.098","P3":"0.0994","P4":"0.0924","P5":"0.0851","P6":"0.0994"},{"Metabolite":"Trimethylamine N-oxide","C1":"0.000676","C2":"0.000425","C3":"0.000242","C4":"0.00059","C5":"0.000447","C6":"0.000787","P1":"0.000352","P2":"0.000549","P3":"0.00018","P4":"0.000263","P5":"0.000301","P6":"0.000188"},{"Metabolite":"Putrescine","C1":"0.000102","C2":"0.000108","C3":"0.000129","C4":"0.000072","C5":"0.000142","C6":"0.000108","P1":"0.000083","P2":"0.000106","P3":"0.00011","P4":"0.0001","P5":"0.000098","P6":"0.000091"},{"Metabolite":"Alanine","C1":"0.148","C2":"0.249","C3":"0.186","C4":"0.278","C5":"0.158","C6":"0.244","P1":"0.205","P2":"0.268","P3":"0.216","P4":"0.262","P5":"0.211","P6":"0.226"},{"Metabolite":"beta-Alanine","C1":"0.00916","C2":"0.0093","C3":"0.00711","C4":"0.00809","C5":"0.00776","C6":"0.00783","P1":"0.00649","P2":"0.00813","P3":"0.00701","P4":"0.00923","P5":"0.00916","P6":"0.00687"},{"Metabolite":"Sarcosine","C1":"0.00155","C2":"0.00185","C3":"0.00196","C4":"0.00255","C5":"0.00127","C6":"0.00186","P1":"0.00128","P2":"0.00166","P3":"0.00146","P4":"0.00263","P5":"0.00153","P6":"0.00129"},{"Metabolite":"Glycerol","C1":"0.00734","C2":"0.01829","C3":"0.00509","C4":"0.00442","C5":"0.00567","C6":"0.00503","P1":"0.00416","P2":"0.00426","P3":"0.00465","P4":"0.00479","P5":"0.00564","P6":"0.00749"},{"Metabolite":"1-Aminocyclopropanecarboxylic acid Homoserine lactone","C1":"0.000147","C2":"0.000121","C3":"0.000127","C4":"0.000146","C5":"0.000103","C6":"0.000114","P1":"0.000158","P2":"0.000152","P3":"0.000133","P4":"0.00018","P5":"0.00015","P6":"0.000159"},{"Metabolite":"N-Methylalanine","C1":"","C2":"","C3":"0.000159","C4":"","C5":"","C6":"","P1":"","P2":"","P3":"","P4":"","P5":"","P6":""},{"Metabolite":"3-Aminobutyric acid","C1":"0.000333","C2":"0.000583","C3":"0.000306","C4":"0.000329","C5":"0.000294","C6":"0.00032","P1":"0.000234","P2":"0.000327","P3":"0.000585","P4":"0.000305","P5":"0.00036","P6":"0.000247"},{"Metabolite":"gamma-Aminobutyric acid","C1":"0.000841","C2":"0.001264","C3":"0.000701","C4":"0.001243","C5":"0.00099","C6":"0.001499","P1":"0.001213","P2":"0.001375","P3":"0.001546","P4":"0.001103","P5":"0.001501","P6":"0.001194"},{"Metabolite":"Dimethylglycine","C1":"0.00305","C2":"0.00418","C3":"0.00287","C4":"0.00341","C5":"0.00197","C6":"0.00307","P1":"0.00172","P2":"0.00248","P3":"0.00262","P4":"0.00226","P5":"0.00191","P6":"0.00269"},{"Metabolite":"Aminoisobutyric acid 2-Aminobutyric acid","C1":"0.00389","C2":"0.00191","C3":"0.00278","C4":"0.00321","C5":"0.00338","C6":"0.00284","P1":"0.00132","P2":"0.00304","P3":"0.0025","P4":"0.00353","P5":"0.0018","P6":"0.00332"},{"Metabolite":"Choline","C1":"0.0357","C2":"0.0273","C3":"0.0548","C4":"0.0281","C5":"0.0372","C6":"0.0295","P1":"0.0193","P2":"0.0404","P3":"0.0324","P4":"0.0319","P5":"0.0255","P6":"0.0276"},{"Metabolite":"Serine","C1":"0.0224","C2":"0.0191","C3":"0.0184","C4":"0.0254","C5":"0.0146","C6":"0.0227","P1":"0.0198","P2":"0.0249","P3":"0.0222","P4":"0.0231","P5":"0.0252","P6":"0.0214"},{"Metabolite":"Diethanolamine","C1":"0.000111","C2":"0.000091","C3":"0.000098","C4":"0.000126","C5":"0.000084","C6":"0.000166","P1":"0.000116","P2":"","P3":"0.000103","P4":"0.000124","P5":"0.000146","P6":"0.000065"},{"Metabolite":"Hypotaurine","C1":"0.0244","C2":"0.0171","C3":"0.0181","C4":"0.0116","C5":"0.0128","C6":"0.0193","P1":"0.0138","P2":"0.0178","P3":"0.0158","P4":"0.013","P5":"0.016","P6":"0.0178"},{"Metabolite":"Histamine","C1":"0.000545","C2":"0.001005","C3":"0.000365","C4":"0.00025","C5":"0.000437","C6":"0.000356","P1":"0.000445","P2":"0.000341","P3":"0.000246","P4":"0.000798","P5":"0.000149","P6":"0.000279"},{"Metabolite":"Uracil","C1":"0.001039","C2":"0.000954","C3":"0.000517","C4":"0.000979","C5":"0.000704","C6":"0.000823","P1":"0.000635","P2":"0.000784","P3":"0.000649","P4":"0.000818","P5":"0.000691","P6":"0.000591"},{"Metabolite":"1-Pyrroline-5-carboxylic acid","C1":"","C2":"","C3":"","C4":"","C5":"","C6":"","P1":"0.000059","P2":"","P3":"0.000078","P4":"","P5":"","P6":""},{"Metabolite":"Creatinine","C1":"0.001135","C2":"0.001166","C3":"0.001227","C4":"0.001214","C5":"0.000905","C6":"0.000997","P1":"0.000988","P2":"0.001311","P3":"0.001275","P4":"0.001287","P5":"0.001035","P6":"0.000956"},{"Metabolite":"Proline","C1":"0.0317","C2":"0.036","C3":"0.0285","C4":"0.038","C5":"0.0248","C6":"0.0347","P1":"0.0328","P2":"0.0365","P3":"0.0301","P4":"0.0405","P5":"0.0319","P6":"0.0312"},{"Metabolite":"Guanidoacetic acid","C1":"0.00116","C2":"0.00173","C3":"0.00186","C4":"0.00195","C5":"0.00145","C6":"0.00132","P1":"0.00083","P2":"0.00183","P3":"0.0014","P4":"0.0008","P5":"0.00239","P6":"0.00116"},{"Metabolite":"Betaine","C1":"0.132","C2":"0.146","C3":"0.108","C4":"0.107","C5":"0.081","C6":"0.126","P1":"0.086","P2":"0.104","P3":"0.144","P4":"0.112","P5":"0.093","P6":"0.131"},{"Metabolite":"Valine","C1":"0.0499","C2":"0.0505","C3":"0.0393","C4":"0.0499","C5":"0.0377","C6":"0.0484","P1":"0.0522","P2":"0.0644","P3":"0.05","P4":"0.0597","P5":"0.0458","P6":"0.0473"},{"Metabolite":"Threonine","C1":"0.0259","C2":"0.0244","C3":"0.0195","C4":"0.03","C5":"0.0178","C6":"0.026","P1":"0.0247","P2":"0.0296","P3":"0.0248","P4":"0.0297","P5":"0.03","P6":"0.0256"},{"Metabolite":"120.1_7.4","C1":"0.00155","C2":"0.00126","C3":"0.00236","C4":"0.00156","C5":"0.00155","C6":"0.00119","P1":"0.00103","P2":"0.00186","P3":"0.00159","P4":"0.00181","P5":"0.00152","P6":"0.00184"},{"Metabolite":"Anserine","C1":"0.000394","C2":"0.000321","C3":"0.00088","C4":"0.000356","C5":"0.000206","C6":"0.00037","P1":"0.000872","P2":"0.000432","P3":"0.000197","P4":"0.000306","P5":"0.000479","P6":"0.000371"},{"Metabolite":"Cysteine-S-sulfate","C1":"0.0035","C2":"0.00545","C3":"0.00322","C4":"0.00555","C5":"0.00611","C6":"0.00888","P1":"0.0069","P2":"0.00888","P3":"0.0126","P4":"0.00598","P5":"0.00509","P6":"0.00324"},{"Metabolite":"Niacinamide","C1":"0.045","C2":"0.038","C3":"0.0413","C4":"0.0488","C5":"0.0433","C6":"0.0388","P1":"0.0486","P2":"0.0437","P3":"0.0435","P4":"0.0389","P5":"0.0416","P6":"0.0435"},{"Metabolite":"Nicotinic acid","C1":"0.000085","C2":"","C3":"0.000038","C4":"0.00006","C5":"0.000047","C6":"0.000066","P1":"0.00005","P2":"0.000039","P3":"","P4":"0.000035","P5":"","P6":""},{"Metabolite":"Taurine","C1":"0.035","C2":"0.0392","C3":"0.0702","C4":"0.0226","C5":"0.0333","C6":"0.0299","P1":"0.0411","P2":"0.0155","P3":"0.0469","P4":"0.0316","P5":"0.0157","P6":"0.025"},{"Metabolite":"Imidazoleacetic acid","C1":"0.000221","C2":"0.000237","C3":"0.000257","C4":"0.000263","C5":"0.00015","C6":"0.000183","P1":"0.000287","P2":"0.000235","P3":"0.000208","P4":"0.000237","P5":"0.000161","P6":"0.000177"},{"Metabolite":"129.1_8.8","C1":"0.00253","C2":"0.00404","C3":"0.00533","C4":"0.00442","C5":"0.00156","C6":"0.00201","P1":"0.00489","P2":"0.00485","P3":"0.00765","P4":"0.00529","P5":"0.00717","P6":"0.00814"},{"Metabolite":"Pipecolic acid","C1":"0.000744","C2":"0.000418","C3":"0.000403","C4":"0.00064","C5":"0.000534","C6":"0.000603","P1":"0.000581","P2":"0.000782","P3":"0.00052","P4":"0.000668","P5":"0.0007","P6":"0.000583"},{"Metabolite":"Hydroxyproline","C1":"0.0024","C2":"0.0032","C3":"0.0027","C4":"0.0036","C5":"0.0025","C6":"0.003","P1":"0.0022","P2":"0.0023","P3":"0.0021","P4":"0.0031","P5":"0.003","P6":"0.0021"},{"Metabolite":"3-Guanidinopropanoic acid","C1":"0.000681","C2":"0.001087","C3":"0.001485","C4":"0.000914","C5":"0.000543","C6":"0.00058","P1":"0.001406","P2":"0.001321","P3":"0.002064","P4":"0.001395","P5":"0.002057","P6":"0.002244"},{"Metabolite":"Creatine","C1":"0.0124","C2":"0.0161","C3":"0.0148","C4":"0.0135","C5":"0.0088","C6":"0.0103","P1":"0.0123","P2":"0.0166","P3":"0.0209","P4":"0.0178","P5":"0.0176","P6":"0.0175"},{"Metabolite":"Leucine","C1":"0.0683","C2":"0.074","C3":"0.0559","C4":"0.0741","C5":"0.0543","C6":"0.0725","P1":"0.0723","P2":"0.0973","P3":"0.0728","P4":"0.0867","P5":"0.064","P6":"0.0633"},{"Metabolite":"Isoleucine","C1":"0.0384","C2":"0.0401","C3":"0.0324","C4":"0.0406","C5":"0.0296","C6":"0.0406","P1":"0.04","P2":"0.0566","P3":"0.0407","P4":"0.0486","P5":"0.035","P6":"0.0366"},{"Metabolite":"Asparagine","C1":"0.00499","C2":"0.00625","C3":"0.00467","C4":"0.00661","C5":"0.00489","C6":"0.00613","P1":"0.00624","P2":"0.00681","P3":"0.00658","P4":"0.00693","P5":"0.00623","P6":"0.00596"},{"Metabolite":"Gly-Gly","C1":"0.000768","C2":"0.000721","C3":"0.000762","C4":"0.000769","C5":"0.000722","C6":"0.000679","P1":"0.000808","P2":"0.000805","P3":"0.000736","P4":"0.00074","P5":"0.000764","P6":"0.00078"},{"Metabolite":"Ornithine","C1":"0.009","C2":"0.0112","C3":"0.0091","C4":"0.0158","C5":"0.0119","C6":"0.0151","P1":"0.0116","P2":"0.017","P3":"0.0133","P4":"0.015","P5":"0.0156","P6":"0.015"},{"Metabolite":"134.0_14.4","C1":"0.000365","C2":"0.000909","C3":"0.00037","C4":"0.001153","C5":"0.000638","C6":"0.001412","P1":"0.00076","P2":"0.001555","P3":"0.001654","P4":"0.002144","P5":"0.001671","P6":"0.001045"},{"Metabolite":"Aspartic acid","C1":"0.0435","C2":"0.0603","C3":"0.0427","C4":"0.0741","C5":"0.0593","C6":"0.0572","P1":"0.0531","P2":"0.1064","P3":"0.0732","P4":"0.0765","P5":"0.0933","P6":"0.0718"},{"Metabolite":"Adenine","C1":"0.000265","C2":"0.000436","C3":"0.000637","C4":"0.000526","C5":"0.000545","C6":"0.000638","P1":"0.000508","P2":"0.000393","P3":"0.000561","P4":"0.000637","P5":"0.00047","P6":"0.000681"},{"Metabolite":"Hypoxanthine","C1":"0.0137","C2":"0.0089","C3":"0.0097","C4":"0.01","C5":"0.0101","C6":"0.0113","P1":"0.0081","P2":"0.0129","P3":"0.0091","P4":"0.0083","P5":"0.0121","P6":"0.0087"},{"Metabolite":"1-Methyl nicotinamide","C1":"0.0011","C2":"0.00111","C3":"0.00109","C4":"0.00095","C5":"0.00131","C6":"0.00158","P1":"0.00122","P2":"0.00124","P3":"0.0014","P4":"0.00103","P5":"0.00101","P6":"0.00143"},{"Metabolite":"Methylimidazoleacetic acid","C1":"0.000078","C2":"0.00007","C3":"0.000084","C4":"0.000097","C5":"0.000099","C6":"0.000042","P1":"0.00007","P2":"0.000132","P3":"0.000061","P4":"0.000081","P5":"0.000067","P6":"0.000044"},{"Metabolite":"141.1_8.0","C1":"0.001314","C2":"0.000456","C3":"0.000509","C4":"0.000827","C5":"0.000887","C6":"0.000473","P1":"0.000568","P2":"0.000371","P3":"0.0004","P4":"0.000577","P5":"0.000796","P6":"0.000665"},{"Metabolite":"4-Guanidinobutanoic acid","C1":"0.0143","C2":"0.0088","C3":"0.0032","C4":"0.0187","C5":"0.0083","C6":"0.0125","P1":"0.0114","P2":"0.0098","P3":"0.0034","P4":"0.0063","P5":"0.0134","P6":"0.0077"},{"Metabolite":"3-Dehydroxycarnitine","C1":"0.00184","C2":"0.00131","C3":"0.00144","C4":"0.00131","C5":"0.00134","C6":"0.00176","P1":"0.00097","P2":"0.00114","P3":"0.00115","P4":"0.00113","P5":"0.00145","P6":"0.00123"},{"Metabolite":"Spermidine","C1":"0.00155","C2":"0.00144","C3":"0.00167","C4":"0.00118","C5":"0.00147","C6":"0.00131","P1":"0.002","P2":"0.00154","P3":"0.00185","P4":"0.00128","P5":"0.00112","P6":"0.00113"},{"Metabolite":"Glutamine","C1":"0.38","C2":"0.359","C3":"0.388","C4":"0.374","C5":"0.316","C6":"0.331","P1":"0.392","P2":"0.423","P3":"0.382","P4":"0.333","P5":"0.432","P6":"0.37"},{"Metabolite":"Lysine","C1":"0.0643","C2":"0.0479","C3":"0.0419","C4":"0.0518","C5":"0.0457","C6":"0.0556","P1":"0.0683","P2":"0.0531","P3":"0.0617","P4":"0.063","P5":"0.055","P6":"0.0537"},{"Metabolite":"148.1_12.6","C1":"0.000285","C2":"0.000333","C3":"0.0003","C4":"0.000381","C5":"0.000254","C6":"0.000315","P1":"0.000352","P2":"0.000494","P3":"0.000392","P4":"0.000279","P5":"0.000224","P6":"0.000202"},{"Metabolite":"Glutamic acid","C1":"0.0546","C2":"0.0679","C3":"0.052","C4":"0.0842","C5":"0.0716","C6":"0.0755","P1":"0.0617","P2":"0.1044","P3":"0.09","P4":"0.0801","P5":"0.1112","P6":"0.0784"},{"Metabolite":"Isoglutamic acid","C1":"","C2":"","C3":"0.000108","C4":"0.000144","C5":"","C6":"0.00012","P1":"","P2":"","P3":"","P4":"","P5":"","P6":""},{"Metabolite":"Methionine","C1":"0.00382","C2":"0.00362","C3":"0.00317","C4":"0.00375","C5":"0.00368","C6":"0.00347","P1":"0.00382","P2":"0.00467","P3":"0.00334","P4":"0.00445","P5":"0.00311","P6":"0.00343"},{"Metabolite":"Xanthine","C1":"0.0142","C2":"0.0122","C3":"0.011","C4":"0.0119","C5":"0.0119","C6":"0.0134","P1":"0.0097","P2":"0.0161","P3":"0.0112","P4":"0.0089","P5":"0.0116","P6":"0.009"},{"Metabolite":"N1-Methyl-4-pyridone-3-carboxamide","C1":"0.00302","C2":"0.00211","C3":"0.00226","C4":"0.00223","C5":"0.00245","C6":"0.00239","P1":"0.00267","P2":"0.00255","P3":"0.00209","P4":"0.00253","P5":"0.00179","P6":"0.00192"},{"Metabolite":"N-Acetylhistamine","C1":"0.000036","C2":"0.000054","C3":"0.000057","C4":"","C5":"","C6":"0.000035","P1":"0.000038","P2":"","P3":"","P4":"0.00003","P5":"0.00003","P6":""},{"Metabolite":"Histidine","C1":"0.0549","C2":"0.0503","C3":"0.0536","C4":"0.0516","C5":"0.0409","C6":"0.0509","P1":"0.0517","P2":"0.0498","P3":"0.0593","P4":"0.0477","P5":"0.0522","P6":"0.0499"},{"Metabolite":"Imidazolelactic acid","C1":"0.000068","C2":"0.000067","C3":"0.000056","C4":"0.000065","C5":"0.000049","C6":"0.000058","P1":"0.000047","P2":"0.000038","P3":"0.000036","P4":"","P5":"","P6":"0.000039"},{"Metabolite":"Daminozide Ala-Ala","C1":"0.000425","C2":"0.000564","C3":"0.000472","C4":"0.000645","C5":"0.000612","C6":"0.000501","P1":"0.000544","P2":"0.000461","P3":"0.00046","P4":"0.00046","P5":"0.000541","P6":"0.000432"},{"Metabolite":"N(6)-Methyllysine","C1":"0.000063","C2":"0.000053","C3":"","C4":"","C5":"0.000051","C6":"0.00004","P1":"","P2":"","P3":"","P4":"0.000052","P5":"","P6":"0.000048"},{"Metabolite":"O-Acetyl-homoserine alpha-Aminoadipic acid","C1":"0.000524","C2":"0.000704","C3":"0.000523","C4":"0.000909","C5":"0.000684","C6":"0.000733","P1":"0.000671","P2":"0.001272","P3":"0.000971","P4":"0.000738","P5":"0.001029","P6":"0.000987"},{"Metabolite":"Carnitine","C1":"0.0248","C2":"0.0233","C3":"0.0275","C4":"0.0234","C5":"0.017","C6":"0.0197","P1":"0.0183","P2":"0.0218","P3":"0.0183","P4":"0.0193","P5":"0.0212","P6":"0.0251"},{"Metabolite":"5-Hydroxylysine","C1":"","C2":"0.000046","C3":"","C4":"","C5":"","C6":"0.000027","P1":"","P2":"0.000032","P3":"","P4":"0.000028","P5":"","P6":"0.000034"},{"Metabolite":"Methionine sulfoxide","C1":"","C2":"0.000137","C3":"0.000118","C4":"0.000122","C5":"0.000091","C6":"0.000135","P1":"0.000139","P2":"0.000178","P3":"0.000174","P4":"0.000173","P5":"0.000148","P6":"0.000174"},{"Metabolite":"Phenylalanine","C1":"0.0224","C2":"0.0249","C3":"0.0197","C4":"0.0251","C5":"0.0197","C6":"0.027","P1":"0.0243","P2":"0.0337","P3":"0.0267","P4":"0.0299","P5":"0.0226","P6":"0.0224"},{"Metabolite":"Taurocyamine","C1":"0.0017","C2":"0.00146","C3":"0.00165","C4":"0.00205","C5":"0.00163","C6":"0.00149","P1":"0.00211","P2":"0.00238","P3":"0.00167","P4":"0.00182","P5":"0.00313","P6":"0.00229"},{"Metabolite":"Pyridoxal","C1":"0.000074","C2":"0.000048","C3":"0.000077","C4":"0.000045","C5":"0.00004","C6":"0.000055","P1":"0.000045","P2":"0.000042","P3":"0.000053","P4":"0.000058","P5":"0.000031","P6":"0.000054"},{"Metabolite":"Xi-Norepinephrine 6-Hydroxydopamine","C1":"","C2":"","C3":"0.000032","C4":"","C5":"","C6":"0.000058","P1":"","P2":"0.000032","P3":"","P4":"0.000043","P5":"","P6":""},{"Metabolite":"1-Methylhistidine 3-Methylhistidine","C1":"0.00098","C2":"0.00087","C3":"0.00092","C4":"0.00099","C5":"0.00094","C6":"0.00101","P1":"0.00101","P2":"0.00126","P3":"0.00101","P4":"0.00108","P5":"0.00116","P6":"0.00114"},{"Metabolite":"Metronidazole","C1":"0.000083","C2":"0.000065","C3":"0.000066","C4":"0.000076","C5":"0.000049","C6":"0.000065","P1":"0.000062","P2":"0.000101","P3":"0.00006","P4":"0.000082","P5":"0.000064","P6":"0.000064"},{"Metabolite":"N(5)-Ethyl-glutamine","C1":"0.000161","C2":"0.000098","C3":"0.000135","C4":"0.000113","C5":"0.000132","C6":"0.000113","P1":"0.000117","P2":"0.000132","P3":"0.000091","P4":"0.000113","P5":"","P6":"0.000101"},{"Metabolite":"Arginine","C1":"0.000269","C2":"0.000279","C3":"0.000186","C4":"0.000214","C5":"0.000226","C6":"0.000247","P1":"0.000263","P2":"0.000279","P3":"0.000205","P4":"0.000225","P5":"0.000212","P6":"0.000208"},{"Metabolite":"Guanidinosuccinic acid","C1":"0.001008","C2":"0.000888","C3":"0.001703","C4":"0.000891","C5":"0.001109","C6":"0.000961","P1":"0.000838","P2":"0.000572","P3":"0.000909","P4":"0.000991","P5":"0.000735","P6":"0.000927"},{"Metabolite":"Citrulline","C1":"0.01083","C2":"0.00374","C3":"0.00418","C4":"0.00374","C5":"0.00427","C6":"0.00271","P1":"0.00481","P2":"0.00433","P3":"0.0037","P4":"0.00458","P5":"0.00417","P6":"0.00362"},{"Metabolite":"Serotonin","C1":"0.000164","C2":"0.000233","C3":"0.000101","C4":"0.000114","C5":"0.000188","C6":"0.000148","P1":"0.000168","P2":"0.000146","P3":"0.000121","P4":"0.000201","P5":"0.000093","P6":"0.000136"},{"Metabolite":"Cys-Gly","C1":"0.000051","C2":"0.000079","C3":"0.000082","C4":"0.000088","C5":"0.000076","C6":"0.000127","P1":"0.000085","P2":"0.000162","P3":"0.000301","P4":"0.000104","P5":"0.000113","P6":"0.000058"},{"Metabolite":"Gluconolactone","C1":"0.01057","C2":"0.00667","C3":"0.00988","C4":"0.0077","C5":"0.00688","C6":"0.0087","P1":"0.00257","P2":"0.00426","P3":"0.00344","P4":"0.00244","P5":"0.00309","P6":"0.00359"},{"Metabolite":"Galactosamine Glucosamine","C1":"0.000213","C2":"0.000232","C3":"0.000169","C4":"0.000181","C5":"0.000123","C6":"0.000374","P1":"0.000186","P2":"0.000284","P3":"0.000212","P4":"0.000184","P5":"0.000126","P6":"0.000172"},{"Metabolite":"Theobromine","C1":"0.000823","C2":"0.000806","C3":"0.000843","C4":"0.000792","C5":"0.000839","C6":"0.000674","P1":"0.000586","P2":"0.000614","P3":"0.000551","P4":"0.00064","P5":"0.000896","P6":"0.000622"},{"Metabolite":"Tyrosine","C1":"0.0117","C2":"0.013","C3":"0.009","C4":"0.0147","C5":"0.0094","C6":"0.0126","P1":"0.0101","P2":"0.0175","P3":"0.0122","P4":"0.0166","P5":"0.0102","P6":"0.0103"},{"Metabolite":"Choline phosphate","C1":"0.0927","C2":"0.1326","C3":"0.1094","C4":"0.0917","C5":"0.1017","C6":"0.1864","P1":"0.0506","P2":"0.0496","P3":"0.0851","P4":"0.0707","P5":"0.0655","P6":"0.1109"},{"Metabolite":"N8-Acetylspermidine","C1":"","C2":"0.000057","C3":"0.000045","C4":"0.000024","C5":"0.00004","C6":"0.000032","P1":"0.000056","P2":"0.000053","P3":"0.000047","P4":"0.000031","P5":"0.000031","P6":"0.000026"},{"Metabolite":"N6-Acetyllysine","C1":"0.000157","C2":"0.000165","C3":"0.000133","C4":"0.000134","C5":"0.000134","C6":"0.000157","P1":"0.000188","P2":"0.000182","P3":"0.00019","P4":"0.0002","P5":"0.000159","P6":"0.00018"},{"Metabolite":"N(2)-Acetyllysine","C1":"0.0011","C2":"0.00118","C3":"0.00085","C4":"0.0013","C5":"0.00093","C6":"0.0012","P1":"0.00105","P2":"0.00101","P3":"0.00118","P4":"0.00117","P5":"0.00136","P6":"0.00118"},{"Metabolite":"Gly-Leu","C1":"0.00227","C2":"0.00121","C3":"0.00181","C4":"0.00183","C5":"0.00158","C6":"0.0018","P1":"0.00089","P2":"0.00174","P3":"0.00106","P4":"0.00122","P5":"0.00103","P6":"0.00072"},{"Metabolite":"Homocitrulline","C1":"0.000868","C2":"0.001215","C3":"0.000397","C4":"0.000716","C5":"0.000339","C6":"0.000601","P1":"0.001133","P2":"0.001062","P3":"0.001382","P4":"0.000882","P5":"0.001142","P6":"0.000724"},{"Metabolite":"Gly-Asp","C1":"0.000276","C2":"0.000234","C3":"0.000242","C4":"0.000283","C5":"0.000221","C6":"0.000265","P1":"0.000246","P2":"0.00033","P3":"0.000239","P4":"0.000282","P5":"0.000341","P6":"0.000269"},{"Metabolite":"2,6-Diaminopimelic acid","C1":"0.000044","C2":"","C3":"","C4":"0.000034","C5":"","C6":"","P1":"0.000032","P2":"","P3":"0.00004","P4":"","P5":"0.000053","P6":"0.000039"},{"Metabolite":"Glucosaminic acid","C1":"","C2":"","C3":"","C4":"","C5":"","C6":"","P1":"0.000878","P2":"0.000839","P3":"0.000905","P4":"0.00088","P5":"0.000642","P6":"0.000856"},{"Metabolite":"N-Acetylhistidine","C1":"0.000042","C2":"0.000039","C3":"0.000042","C4":"0.000045","C5":"","C6":"0.000037","P1":"","P2":"","P3":"0.000045","P4":"0.000044","P5":"","P6":"0.000029"},{"Metabolite":"Dimethylarginine","C1":"0.000068","C2":"0.000052","C3":"0.000072","C4":"0.00006","C5":"0.000046","C6":"0.000083","P1":"0.00007","P2":"0.000072","P3":"0.000047","P4":"0.000052","P5":"0.000068","P6":"0.000069"},{"Metabolite":"Symmetric dimethyl-arginine","C1":"0.000125","C2":"0.000115","C3":"0.000132","C4":"0.000133","C5":"0.00009","C6":"0.000111","P1":"0.000116","P2":"0.00013","P3":"0.000127","P4":"0.000107","P5":"0.000109","P6":"0.000134"},{"Metabolite":"Spermine","C1":"0.000339","C2":"0.000252","C3":"0.000305","C4":"0.000234","C5":"0.000261","C6":"0.000295","P1":"0.000275","P2":"0.000308","P3":"0.000344","P4":"0.000216","P5":"0.000265","P6":"0.000234"},{"Metabolite":"CAR 2:0","C1":"0.0209","C2":"0.017","C3":"0.0182","C4":"0.0159","C5":"0.0135","C6":"0.0145","P1":"0.0173","P2":"0.0197","P3":"0.0152","P4":"0.0145","P5":"0.0155","P6":"0.0192"},{"Metabolite":"Tryptophan","C1":"0.00511","C2":"0.00552","C3":"0.00435","C4":"0.00599","C5":"0.00447","C6":"0.00619","P1":"0.00573","P2":"0.00727","P3":"0.00604","P4":"0.00652","P5":"0.00496","P6":"0.00521"},{"Metabolite":"205.1_9.2","C1":"","C2":"","C3":"","C4":"","C5":"","C6":"","P1":"0.000056","P2":"0.000057","P3":"0.000061","P4":"","P5":"","P6":""},{"Metabolite":"Kynurenine","C1":"0.000268","C2":"0.000259","C3":"0.000163","C4":"0.000246","C5":"0.000184","C6":"0.000219","P1":"0.000273","P2":"0.000251","P3":"0.000243","P4":"0.000349","P5":"0.000144","P6":"0.000158"},{"Metabolite":"218.1_9.3","C1":"0.00162","C2":"0.00229","C3":"0.00247","C4":"0.00224","C5":"0.00153","C6":"0.00189","P1":"0.00169","P2":"0.00224","P3":"0.00173","P4":"0.00179","P5":"0.00184","P6":"0.0024"},{"Metabolite":"218.2_6.7","C1":"0.000134","C2":"0.000165","C3":"0.000085","C4":"0.000192","C5":"0.000148","C6":"0.000179","P1":"0.000177","P2":"0.00019","P3":"0.000185","P4":"0.000169","P5":"0.000198","P6":"0.000164"},{"Metabolite":"N-Acetyl-beta-glucosaminylamine","C1":"0.00007","C2":"0.000074","C3":"0.000082","C4":"0.000089","C5":"0.000079","C6":"0.000056","P1":"0.000086","P2":"0.00006","P3":"0.00006","P4":"0.000074","P5":"0.000084","P6":"0.000075"},{"Metabolite":"N-Acetyl-D-galactosamine N-Acetyl-mannosamine N-Acetyl-D-glucosamine","C1":"0.000376","C2":"0.00029","C3":"0.000283","C4":"0.00034","C5":"0.00045","C6":"0.000351","P1":"0.000378","P2":"0.00038","P3":"0.000338","P4":"0.000369","P5":"0.000351","P6":"0.000338"},{"Metabolite":"Cystathionine","C1":"0.001164","C2":"0.001039","C3":"0.000689","C4":"0.001174","C5":"0.000697","C6":"0.000938","P1":"0.00101","P2":"0.001026","P3":"0.000765","P4":"0.000981","P5":"0.000906","P6":"0.000736"},{"Metabolite":"Carnosine","C1":"0.000045","C2":"0.000045","C3":"0.000207","C4":"","C5":"0.000046","C6":"0.000054","P1":"0.000063","P2":"0.000057","P3":"","P4":"0.00004","P5":"","P6":""},{"Metabolite":"Deoxycytidine","C1":"0.00178","C2":"0.00211","C3":"0.00216","C4":"0.00196","C5":"0.00154","C6":"0.00223","P1":"0.00176","P2":"0.00238","P3":"0.00197","P4":"0.00228","P5":"0.00186","P6":"0.00156"},{"Metabolite":"Ergothioneine","C1":"0.00331","C2":"0.00293","C3":"0.00415","C4":"0.0021","C5":"0.00153","C6":"0.00259","P1":"0.0029","P2":"0.00143","P3":"0.00409","P4":"0.00192","P5":"0.00087","P6":"0.00259"},{"Metabolite":"CAR 4:0","C1":"0.0017","C2":"0.00215","C3":"0.00238","C4":"0.00165","C5":"0.00105","C6":"0.00192","P1":"0.00183","P2":"0.00202","P3":"0.00165","P4":"0.00158","P5":"0.00148","P6":"0.0018"},{"Metabolite":"233.1_12.5","C1":"0.000307","C2":"0.000235","C3":"0.000197","C4":"0.000327","C5":"0.000224","C6":"0.000272","P1":"0.000165","P2":"0.000233","P3":"0.000132","P4":"0.000199","P5":"0.000271","P6":"0.000185"},{"Metabolite":"234.2_6.1","C1":"0.00004","C2":"","C3":"0.000044","C4":"","C5":"0.00005","C6":"0.000042","P1":"0.00004","P2":"0.000052","P3":"0.000041","P4":"0.000051","P5":"0.000034","P6":"0.000041"},{"Metabolite":"Ser-Glu","C1":"0.000111","C2":"0.000077","C3":"0.00008","C4":"0.000099","C5":"0.000109","C6":"0.000097","P1":"0.000068","P2":"0.000078","P3":"0.000076","P4":"0.000095","P5":"0.000093","P6":"0.00008"},{"Metabolite":"Thr-Asp","C1":"","C2":"0.000036","C3":"","C4":"0.000048","C5":"0.000038","C6":"","P1":"0.00003","P2":"0.000026","P3":"","P4":"0.000026","P5":"","P6":""},{"Metabolite":"240.1_11.1","C1":"0.000081","C2":"0.000093","C3":"0.000077","C4":"0.000112","C5":"0.000089","C6":"0.000082","P1":"0.000094","P2":"0.000126","P3":"0.000131","P4":"0.000136","P5":"0.000115","P6":"0.000153"},{"Metabolite":"Cystine","C1":"","C2":"","C3":"","C4":"","C5":"0.000051","C6":"0.000049","P1":"","P2":"","P3":"0.000054","P4":"","P5":"","P6":""},{"Metabolite":"Homocarnosine","C1":"0.00006","C2":"0.00006","C3":"0.000143","C4":"0.000051","C5":"0.000035","C6":"0.000062","P1":"0.000141","P2":"0.000058","P3":"0.000041","P4":"0.000048","P5":"0.000055","P6":"0.000067"},{"Metabolite":"5-Methyl-2'-deoxycytidine","C1":"0.000077","C2":"0.000086","C3":"0.000084","C4":"0.000115","C5":"0.000063","C6":"0.000085","P1":"0.000083","P2":"0.000098","P3":"0.000073","P4":"0.000075","P5":"0.00009","P6":"0.000049"},{"Metabolite":"242.1_9.7","C1":"0.000383","C2":"0.000227","C3":"0.000354","C4":"0.00024","C5":"0.000227","C6":"0.000265","P1":"0.000195","P2":"0.00013","P3":"0.000228","P4":"0.000123","P5":"0.000101","P6":"0.000126"},{"Metabolite":"Cytidine","C1":"0.00327","C2":"0.00327","C3":"0.00276","C4":"0.00352","C5":"0.00273","C6":"0.0035","P1":"0.00295","P2":"0.0038","P3":"0.00311","P4":"0.00362","P5":"0.00315","P6":"0.00292"},{"Metabolite":"Uridine","C1":"0.0164","C2":"0.0145","C3":"0.0084","C4":"0.0171","C5":"0.0126","C6":"0.0145","P1":"0.0103","P2":"0.0128","P3":"0.0103","P4":"0.0141","P5":"0.0104","P6":"0.0095"},{"Metabolite":"CAR 4:0;3Me","C1":"0.000189","C2":"0.000159","C3":"0.000151","C4":"0.000174","C5":"0.000156","C6":"0.000151","P1":"0.00013","P2":"0.000159","P3":"0.000153","P4":"0.000102","P5":"0.000218","P6":"0.000172"},{"Metabolite":"Pyridoxamine 5'-phosphate","C1":"0.000784","C2":"0.000737","C3":"0.00095","C4":"0.000767","C5":"0.000783","C6":"0.0008","P1":"0.000743","P2":"0.00085","P3":"0.000847","P4":"0.00072","P5":"0.00087","P6":"0.000798"},{"Metabolite":"gamma-Glutamylcysteine","C1":"0.000204","C2":"0.000286","C3":"0.000316","C4":"0.000378","C5":"0.000236","C6":"0.000409","P1":"0.000305","P2":"0.000627","P3":"0.000585","P4":"0.00036","P5":"0.000375","P6":"0.000249"},{"Metabolite":"255.1_9.5","C1":"0.000258","C2":"0.000229","C3":"0.000268","C4":"0.000241","C5":"0.000219","C6":"0.000246","P1":"0.000265","P2":"0.000519","P3":"0.000284","P4":"0.000305","P5":"0.000368","P6":"0.00036"},{"Metabolite":"Dyphylline","C1":"0.00247","C2":"0.00485","C3":"0.00157","C4":"0.00167","C5":"0.00205","C6":"0.00194","P1":"0.00146","P2":"0.00164","P3":"0.00159","P4":"0.00174","P5":"0.00209","P6":"0.00249"},{"Metabolite":"sn-Glycero-3-phosphocholine","C1":"0.0748","C2":"0.0811","C3":"0.096","C4":"0.092","C5":"0.0685","C6":"0.0908","P1":"0.053","P2":"0.0804","P3":"0.0696","P4":"0.0666","P5":"0.0846","P6":"0.0658"},{"Metabolite":"Thiamine","C1":"0.000236","C2":"0.000286","C3":"0.000177","C4":"0.000268","C5":"0.000194","C6":"0.00029","P1":"0.000188","P2":"0.000298","P3":"0.000235","P4":"0.000279","P5":"0.00024","P6":"0.000192"},{"Metabolite":"Adenosine","C1":"0.010579","C2":"0.009159","C3":"0.018023","C4":"0.011919","C5":"0.015185","C6":"0.01034","P1":"0.012489","P2":"0.011578","P3":"0.014767","P4":"0.01581","P5":"0.016406","P6":"0.017101"},{"Metabolite":"Inosine","C1":"0.0684","C2":"0.0622","C3":"0.0561","C4":"0.0718","C5":"0.0579","C6":"0.0803","P1":"0.0581","P2":"0.0807","P3":"0.0695","P4":"0.055","P5":"0.0719","P6":"0.0549"},{"Metabolite":"Glu-Glu","C1":"0.000063","C2":"0.000055","C3":"0.000044","C4":"0.000052","C5":"0.000057","C6":"0.000037","P1":"0.000047","P2":"0.000057","P3":"0.000055","P4":"0.00005","P5":"0.000056","P6":"0.000071"},{"Metabolite":"Saccharopine","C1":"0.000588","C2":"0.000621","C3":"0.000937","C4":"0.000752","C5":"0.000684","C6":"0.000823","P1":"0.000753","P2":"0.000629","P3":"0.000858","P4":"0.000727","P5":"0.000771","P6":"0.000902"},{"Metabolite":"1-Methyladenosine","C1":"0.000082","C2":"0.000097","C3":"0.000095","C4":"0.000118","C5":"0.000106","C6":"0.000102","P1":"0.000119","P2":"0.000113","P3":"0.000087","P4":"0.000106","P5":"0.000101","P6":"0.000103"},{"Metabolite":"Guanosine","C1":"0.00169","C2":"0.00122","C3":"0.00211","C4":"0.00139","C5":"0.00119","C6":"0.00137","P1":"0.00106","P2":"0.00196","P3":"0.00168","P4":"0.00246","P5":"0.00261","P6":"0.00187"},{"Metabolite":"Ophthalmic acid","C1":"0.00147","C2":"0.00084","C3":"0.00102","C4":"0.0015","C5":"0.00118","C6":"0.00088","P1":"0.00034","P2":"0.00107","P3":"0.00051","P4":"0.00102","P5":"0.00061","P6":"0.00147"},{"Metabolite":"Argininosuccinic acid","C1":"0.001802","C2":"0.000603","C3":"0.00094","C4":"0.000678","C5":"0.000657","C6":"0.00059","P1":"0.000852","P2":"0.000821","P3":"0.000783","P4":"0.000775","P5":"0.000709","P6":"0.0007"},{"Metabolite":"5'-Methylthioadenosine","C1":"0.000108","C2":"0.000109","C3":"0.00015","C4":"0.000131","C5":"0.000079","C6":"0.000113","P1":"0.000119","P2":"0.00011","P3":"0.000161","P4":"0.000168","P5":"0.000142","P6":"0.000171"},{"Metabolite":"Oxidized glutathione","C1":"0.105","C2":"0.1","C3":"0.093","C4":"0.123","C5":"0.086","C6":"0.09","P1":"0.083","P2":"0.122","P3":"0.104","P4":"0.111","P5":"0.107","P6":"0.098"},{"Metabolite":"Glutathione","C1":"0.383","C2":"0.357","C3":"0.335","C4":"0.373","C5":"0.325","C6":"0.365","P1":"0.373","P2":"0.393","P3":"0.356","P4":"0.328","P5":"0.331","P6":"0.342"},{"Metabolite":"310.1_15.5","C1":"0.000111","C2":"0.000098","C3":"0.000113","C4":"0.000146","C5":"0.000082","C6":"0.00019","P1":"0.000137","P2":"0.000205","P3":"0.000191","P4":"0.000157","P5":"0.000215","P6":"0.000206"},{"Metabolite":"S-Methylglutathione","C1":"0.00149","C2":"0.00124","C3":"0.00138","C4":"0.00117","C5":"0.00121","C6":"0.0013","P1":"0.00164","P2":"0.00184","P3":"0.00215","P4":"0.00158","P5":"0.00132","P6":"0.00171"},{"Metabolite":"325.2_8.7","C1":"0.000986","C2":"0.001102","C3":"0.001014","C4":"0.000886","C5":"0.000753","C6":"0.000902","P1":"0.000888","P2":"0.001171","P3":"0.001019","P4":"0.000918","P5":"0.001355","P6":"0.001029"},{"Metabolite":"Nicotinamide ribotide","C1":"0.000742","C2":"0.000465","C3":"0.000804","C4":"0.000627","C5":"0.000555","C6":"0.000606","P1":"0.000622","P2":"0.00091","P3":"0.00078","P4":"0.000886","P5":"0.000822","P6":"0.000942"},{"Metabolite":"345.1_10.8","C1":"0.000149","C2":"0.00015","C3":"0.000134","C4":"0.000157","C5":"0.000126","C6":"0.000116","P1":"0.000146","P2":"0.000155","P3":"0.000144","P4":"0.000157","P5":"0.000225","P6":"0.000161"},{"Metabolite":"350.1_13.8","C1":"0.0027","C2":"0.00162","C3":"0.0031","C4":"0.00226","C5":"0.0018","C6":"0.00188","P1":"0.00239","P2":"0.0027","P3":"0.00199","P4":"0.00208","P5":"0.00218","P6":"0.00312"},{"Metabolite":"S-Lactoylglutathione","C1":"0.000213","C2":"0.000165","C3":"0.00019","C4":"0.000147","C5":"0.000184","C6":"0.000187","P1":"0.000187","P2":"0.000232","P3":"0.000192","P4":"0.000221","P5":"0.000239","P6":"0.000172"},{"Metabolite":"S-Adenosylhomocysteine","C1":"0.00166","C2":"0.0015","C3":"0.00184","C4":"0.00178","C5":"0.00182","C6":"0.00176","P1":"0.00155","P2":"0.00171","P3":"0.00175","P4":"0.00171","P5":"0.00158","P6":"0.00175"},{"Metabolite":"S-Adenosylmethionine","C1":"0.0031","C2":"0.00324","C3":"0.0031","C4":"0.00356","C5":"0.00218","C6":"0.00375","P1":"0.00346","P2":"0.00363","P3":"0.00375","P4":"0.00467","P5":"0.00344","P6":"0.00412"},{"Metabolite":"Cysteine-glutathione disulfide","C1":"0.000578","C2":"0.001359","C3":"0.000511","C4":"0.001764","C5":"0.001593","C6":"0.002148","P1":"0.001251","P2":"0.001852","P3":"0.002733","P4":"0.001622","P5":"0.001216","P6":"0.000875"},{"Metabolite":"5-Methyltetrahydrofolic acid","C1":"0.000128","C2":"0.00007","C3":"0.000145","C4":"0.000097","C5":"0.000065","C6":"0.000103","P1":"0.00008","P2":"0.000123","P3":"0.000126","P4":"0.000116","P5":"0.000106","P6":"0.000119"}],

"Metabolites":[{"Metabolite":"Urea","PubChem CID":"1176","m/z":"61.04"},{"Metabolite":"Ethanolamine","PubChem CID":"700","m/z":"62.06"},{"Metabolite":"72.1_6.3","PubChem CID":"","m/z":"72.1"},{"Metabolite":"Glycine","PubChem CID":"750","m/z":"76.04"},{"Metabolite":"Trimethylamine N-oxide","PubChem CID":"1145","m/z":"76.076"},{"Metabolite":"Putrescine","PubChem CID":"1045","m/z":"89.107"},{"Metabolite":"Alanine","PubChem CID":"602","m/z":"90.055"},{"Metabolite":"beta-Alanine","PubChem CID":"239","m/z":"90.055"},{"Metabolite":"Sarcosine","PubChem CID":"1088","m/z":"90.055"},{"Metabolite":"Glycerol","PubChem CID":"753","m/z":"93.055"},{"Metabolite":"1-Aminocyclopropanecarboxylic acid Homoserine lactone","PubChem CID":"","m/z":"102.055"},{"Metabolite":"N-Methylalanine","PubChem CID":"5288725","m/z":"104.07"},{"Metabolite":"3-Aminobutyric acid","PubChem CID":"10932","m/z":"104.071"},{"Metabolite":"gamma-Aminobutyric acid","PubChem CID":"119","m/z":"104.071"},{"Metabolite":"Dimethylglycine","PubChem CID":"673","m/z":"104.071"},{"Metabolite":"Aminoisobutyric acid 2-Aminobutyric acid","PubChem CID":"","m/z":"104.071"},{"Metabolite":"Choline","PubChem CID":"305","m/z":"104.107"},{"Metabolite":"Serine","PubChem CID":"617","m/z":"106.05"},{"Metabolite":"Diethanolamine","PubChem CID":"8113","m/z":"106.087"},{"Metabolite":"Hypotaurine","PubChem CID":"107812","m/z":"110.027"},{"Metabolite":"Histamine","PubChem CID":"774","m/z":"112.087"},{"Metabolite":"Uracil","PubChem CID":"1174","m/z":"113.035"},{"Metabolite":"1-Pyrroline-5-carboxylic acid","PubChem CID":"440162","m/z":"114.055"},{"Metabolite":"Creatinine","PubChem CID":"588","m/z":"114.067"},{"Metabolite":"Proline","PubChem CID":"614","m/z":"116.071"},{"Metabolite":"Guanidoacetic acid","PubChem CID":"763","m/z":"118.061"},{"Metabolite":"Betaine","PubChem CID":"247","m/z":"118.087"},{"Metabolite":"Valine","PubChem CID":"1182","m/z":"118.087"},{"Metabolite":"Threonine","PubChem CID":"6288","m/z":"120.066"},{"Metabolite":"120.1_7.4","PubChem CID":"249","m/z":"120.1"},{"Metabolite":"Anserine","PubChem CID":"112072","m/z":"121.069"},{"Metabolite":"Cysteine-S-sulfate","PubChem CID":"594","m/z":"122.028"},{"Metabolite":"Niacinamide","PubChem CID":"936","m/z":"123.056"},{"Metabolite":"Nicotinic acid","PubChem CID":"938","m/z":"124.04"},{"Metabolite":"Taurine","PubChem CID":"1123","m/z":"126.022"},{"Metabolite":"Imidazoleacetic acid","PubChem CID":"96215","m/z":"127.051"},{"Metabolite":"129.1_8.8","PubChem CID":"","m/z":"129.1"},{"Metabolite":"Pipecolic acid","PubChem CID":"439227","m/z":"130.087"},{"Metabolite":"Hydroxyproline","PubChem CID":"5810","m/z":"132.066"},{"Metabolite":"3-Guanidinopropanoic acid","PubChem CID":"67701","m/z":"132.077"},{"Metabolite":"Creatine","PubChem CID":"586","m/z":"132.077"},{"Metabolite":"Leucine","PubChem CID":"857","m/z":"132.102"},{"Metabolite":"Isoleucine","PubChem CID":"791","m/z":"132.102"},{"Metabolite":"Asparagine","PubChem CID":"236","m/z":"133.061"},{"Metabolite":"Gly-Gly","PubChem CID":"11163","m/z":"133.061"},{"Metabolite":"Ornithine","PubChem CID":"389","m/z":"133.097"},{"Metabolite":"134.0_14.4","PubChem CID":"9934","m/z":"134"},{"Metabolite":"Aspartic acid","PubChem CID":"424","m/z":"134.045"},{"Metabolite":"Adenine","PubChem CID":"190","m/z":"136.062"},{"Metabolite":"Hypoxanthine","PubChem CID":"790","m/z":"137.046"},{"Metabolite":"1-Methyl nicotinamide","PubChem CID":"457","m/z":"137.072"},{"Metabolite":"Methylimidazoleacetic acid","PubChem CID":"75810","m/z":"141.067"},{"Metabolite":"141.1_8.0","PubChem CID":"","m/z":"141.1"},{"Metabolite":"4-Guanidinobutanoic acid","PubChem CID":"500","m/z":"146.093"},{"Metabolite":"3-Dehydroxycarnitine","PubChem CID":"134","m/z":"146.118"},{"Metabolite":"Spermidine","PubChem CID":"1102","m/z":"146.166"},{"Metabolite":"Glutamine","PubChem CID":"738","m/z":"147.077"},{"Metabolite":"Lysine","PubChem CID":"866","m/z":"147.113"},{"Metabolite":"148.1_12.6","PubChem CID":"440064","m/z":"148.1"},{"Metabolite":"Glutamic acid","PubChem CID":"611","m/z":"148.061"},{"Metabolite":"Isoglutamic acid","PubChem CID":"73064","m/z":"148.061"},{"Metabolite":"Methionine","PubChem CID":"876","m/z":"150.059"},{"Metabolite":"Xanthine","PubChem CID":"1188","m/z":"153.042"},{"Metabolite":"N1-Methyl-4-pyridone-3-carboxamide","PubChem CID":"440810","m/z":"153.066"},{"Metabolite":"N-Acetylhistamine","PubChem CID":"69602","m/z":"154.098"},{"Metabolite":"Histidine","PubChem CID":"773","m/z":"156.077"},{"Metabolite":"Imidazolelactic acid","PubChem CID":"793","m/z":"157.062"},{"Metabolite":"Daminozide Ala-Ala","PubChem CID":"","m/z":"161.092"},{"Metabolite":"N(6)-Methyllysine","PubChem CID":"164795","m/z":"161.129"},{"Metabolite":"O-Acetyl-homoserine alpha-Aminoadipic acid","PubChem CID":"","m/z":"162.077"},{"Metabolite":"Carnitine","PubChem CID":"85","m/z":"162.113"},{"Metabolite":"5-Hydroxylysine","PubChem CID":"3032849","m/z":"163.107"},{"Metabolite":"Methionine sulfoxide","PubChem CID":"158980","m/z":"166.054"},{"Metabolite":"Phenylalanine","PubChem CID":"994","m/z":"166.087"},{"Metabolite":"Taurocyamine","PubChem CID":"68340","m/z":"168.045"},{"Metabolite":"Pyridoxal","PubChem CID":"1050","m/z":"168.065"},{"Metabolite":"Xi-Norepinephrine 6-Hydroxydopamine","PubChem CID":"","m/z":"170.081"},{"Metabolite":"1-Methylhistidine 3-Methylhistidine","PubChem CID":"","m/z":"170.094"},{"Metabolite":"Metronidazole","PubChem CID":"4173","m/z":"172.072"},{"Metabolite":"N(5)-Ethyl-glutamine","PubChem CID":"439378","m/z":"175.107"},{"Metabolite":"Arginine","PubChem CID":"6322","m/z":"175.12"},{"Metabolite":"Guanidinosuccinic acid","PubChem CID":"439918","m/z":"176.067"},{"Metabolite":"Citrulline","PubChem CID":"9750","m/z":"176.103"},{"Metabolite":"Serotonin","PubChem CID":"5202","m/z":"177.103"},{"Metabolite":"Cys-Gly","PubChem CID":"439498","m/z":"179.049"},{"Metabolite":"Gluconolactone","PubChem CID":"7027","m/z":"179.056"},{"Metabolite":"Galactosamine Glucosamine","PubChem CID":"","m/z":"180.087"},{"Metabolite":"Theobromine","PubChem CID":"5429","m/z":"181.071"},{"Metabolite":"Tyrosine","PubChem CID":"1153","m/z":"182.082"},{"Metabolite":"Choline phosphate","PubChem CID":"1014","m/z":"184.074"},{"Metabolite":"N8-Acetylspermidine","PubChem CID":"123689","m/z":"188.176"},{"Metabolite":"N6-Acetyllysine","PubChem CID":"92832","m/z":"189.123"},{"Metabolite":"N(2)-Acetyllysine","PubChem CID":"92907","m/z":"189.124"},{"Metabolite":"Gly-Leu","PubChem CID":"","m/z":"189.124"},{"Metabolite":"Homocitrulline","PubChem CID":"65072","m/z":"190.119"},{"Metabolite":"Gly-Asp","PubChem CID":"97363","m/z":"191.066"},{"Metabolite":"2,6-Diaminopimelic acid","PubChem CID":"439283","m/z":"191.103"},{"Metabolite":"Glucosaminic acid","PubChem CID":"73563","m/z":"196.082"},{"Metabolite":"N-Acetylhistidine","PubChem CID":"75619","m/z":"198.089"},{"Metabolite":"Dimethylarginine","PubChem CID":"123831","m/z":"203.15"},{"Metabolite":"Symmetric dimethyl-arginine","PubChem CID":"169148","m/z":"203.151"},{"Metabolite":"Spermine","PubChem CID":"1103","m/z":"203.224"},{"Metabolite":"CAR 2:0","PubChem CID":"439756","m/z":"204.123"},{"Metabolite":"Tryptophan","PubChem CID":"1148","m/z":"205.098"},{"Metabolite":"205.1_9.2","PubChem CID":"123800","m/z":"205.1"},{"Metabolite":"Kynurenine","PubChem CID":"846","m/z":"209.1"},{"Metabolite":"218.1_9.3","PubChem CID":"","m/z":"218.1"},{"Metabolite":"218.2_6.7","PubChem CID":"440638","m/z":"218.2"},{"Metabolite":"N-Acetyl-beta-glucosaminylamine","PubChem CID":"439454","m/z":"221.1"},{"Metabolite":"N-Acetyl-D-galactosamine N-Acetyl-mannosamine N-Acetyl-D-glucosamine","PubChem CID":"","m/z":"222.1"},{"Metabolite":"Cystathionine","PubChem CID":"834","m/z":"223.1"},{"Metabolite":"Carnosine","PubChem CID":"439224","m/z":"227.1"},{"Metabolite":"Deoxycytidine","PubChem CID":"13711","m/z":"228.1"},{"Metabolite":"Ergothioneine","PubChem CID":"3037043","m/z":"230.1"},{"Metabolite":"CAR 4:0","PubChem CID":"439829","m/z":"232.2"},{"Metabolite":"233.1_12.5","PubChem CID":"","m/z":"233.1"},{"Metabolite":"234.2_6.1","PubChem CID":"","m/z":"234.2"},{"Metabolite":"Ser-Glu","PubChem CID":"","m/z":"235.093"},{"Metabolite":"Thr-Asp","PubChem CID":"3280446","m/z":"235.094"},{"Metabolite":"240.1_11.1","PubChem CID":"119055","m/z":"240.1"},{"Metabolite":"Cystine","PubChem CID":"595","m/z":"241"},{"Metabolite":"Homocarnosine","PubChem CID":"10243361","m/z":"241.1"},{"Metabolite":"5-Methyl-2'-deoxycytidine","PubChem CID":"440055","m/z":"242.1"},{"Metabolite":"242.1_9.7","PubChem CID":"44257","m/z":"242.1"},{"Metabolite":"Cytidine","PubChem CID":"6175","m/z":"244.1"},{"Metabolite":"Uridine","PubChem CID":"6029","m/z":"245.1"},{"Metabolite":"CAR 4:0;3Me","PubChem CID":"6426851","m/z":"246.2"},{"Metabolite":"Pyridoxamine 5'-phosphate","PubChem CID":"1053","m/z":"249.1"},{"Metabolite":"gamma-Glutamylcysteine","PubChem CID":"123938","m/z":"251.1"},{"Metabolite":"255.1_9.5","PubChem CID":"","m/z":"255.1"},{"Metabolite":"Dyphylline","PubChem CID":"3182","m/z":"255.108"},{"Metabolite":"sn-Glycero-3-phosphocholine","PubChem CID":"439285","m/z":"258.111"},{"Metabolite":"Thiamine","PubChem CID":"1130","m/z":"265.112"},{"Metabolite":"Adenosine","PubChem CID":"60961","m/z":"268.105"},{"Metabolite":"Inosine","PubChem CID":"6021","m/z":"269.089"},{"Metabolite":"Glu-Glu","PubChem CID":"439500","m/z":"277.105"},{"Metabolite":"Saccharopine","PubChem CID":"160556","m/z":"277.14"},{"Metabolite":"1-Methyladenosine","PubChem CID":"27476","m/z":"282.12"},{"Metabolite":"Guanosine","PubChem CID":"6802","m/z":"284.1"},{"Metabolite":"Ophthalmic acid","PubChem CID":"7018721","m/z":"290.136"},{"Metabolite":"Argininosuccinic acid","PubChem CID":"16950","m/z":"291.131"},{"Metabolite":"5'-Methylthioadenosine","PubChem CID":"439176","m/z":"298.098"},{"Metabolite":"Oxidized glutathione","PubChem CID":"65359","m/z":"307.083"},{"Metabolite":"Glutathione","PubChem CID":"124886","m/z":"308.091"},{"Metabolite":"310.1_15.5","PubChem CID":"","m/z":"310.1"},{"Metabolite":"S-Methylglutathione","PubChem CID":"115260","m/z":"322.1"},{"Metabolite":"325.2_8.7","PubChem CID":"","m/z":"325.2"},{"Metabolite":"Nicotinamide ribotide","PubChem CID":"14180","m/z":"335.1"},{"Metabolite":"345.1_10.8","PubChem CID":"1131","m/z":"345.1"},{"Metabolite":"350.1_13.8","PubChem CID":"","m/z":"350.1"},{"Metabolite":"S-Lactoylglutathione","PubChem CID":"440018","m/z":"380.1"},{"Metabolite":"S-Adenosylhomocysteine","PubChem CID":"439155","m/z":"385.1"},{"Metabolite":"S-Adenosylmethionine","PubChem CID":"34755","m/z":"399.1"},{"Metabolite":"Cysteine-glutathione disulfide","PubChem CID":"10455148","m/z":"427.1"},{"Metabolite":"5-Methyltetrahydrofolic acid","PubChem CID":"444412","m/z":"460.2"}]
}

}