{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002170","ANALYSIS_ID":"AN003555","VERSION":"1","CREATED_ON":"May 19, 2022, 6:48 am"},

"PROJECT":{"PROJECT_TITLE":"Cecal and serum metabolome of specific-pathogen-free, gnotobiotic (containing a 14-member synthetic human gut microbiota), and germ-free mice fed with five distinct rodent diets with varying fiber content and source.","PROJECT_SUMMARY":"In an effort to discern the effects of diverse fibers on host immunity, we employed five distinct rodent diets with varying fiber content and source in specific-pathogen-free, gnotobiotic (containing a 14-member synthetic human gut microbiota), and germ-free mice.","INSTITUTE":"Luxembourg Institute of Health","DEPARTMENT":"Department of Infection and Immunity","LAST_NAME":"Desai","FIRST_NAME":"Mahesh S","ADDRESS":"4354 Esch-sur-Alzette, Luxembourg","EMAIL":"mahesh.desai@lih.lu","PHONE":"+352 26970-389"},

"STUDY":{"STUDY_TITLE":"Cecal metabolome of specific-pathogen-free mice fed with five distinct rodent diets with varying fiber content and source.","STUDY_SUMMARY":"In an effort to discern the effects of diverse fibers on host immunity, we employed five distinct rodent diets with varying fiber content and source in specific-pathogen-free.","INSTITUTE":"Luxembourg Institute of Health","DEPARTMENT":"Department of Infection and Immunity","LAST_NAME":"Desai","FIRST_NAME":"Mahesh S","ADDRESS":"4354 Esch-sur-Alzette, Luxembourg","EMAIL":"mahesh.desai@lih.lu","PHONE":"+352 26970-389"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"CC_LD_4",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"1-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_LD_5",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"2-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_LD_6",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"3-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_LD_8",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"4-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_FS_1",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"5-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_FS_2",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"6-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_FS_5",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"7-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_FS_7",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"8-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_560_FR1",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"9-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_561_FR2",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"10-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_562_FR3",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"11-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_563_FR4",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"12-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_In1",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"13-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_In3",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"14-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_In4",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"15-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_In6",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"16-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_566_FF1",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"17-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_567_FF2",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"18-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_568_FF3",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"19-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"CC_569_FF4",
"Factors":{"Organ":"Cecum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"20-130.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cecal metabolome of specific-pathogen-free mice fed with five distinct rodent diets with varying fiber content and source.","SAMPLE_TYPE":"Cecum"},

"TREATMENT":{"TREATMENT_SUMMARY":"Experiments were performed with 6-week old female BALB/c mice (Charles River Laboratories, France), housed in the specific-pathogen-free (SPF) facility of the Luxembourg Institute of Health. Mice were fed on their respective diets for 40 days and then sacrificed by cervical dislocation."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cecal contents were lyophilized using a VD-800R lyophilizer (TAITEC) for 24 hours. Freeze-dried samples were disrupted with 3.0-mm Zirconia Beads (Biomedical Science) by vigorous shaking (1,500 rpm for 10 min) using Shake Master (Biomedical Science). Cecal metabolites were extracted using the methanol:chloroform:water extraction protocol."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Other","INSTRUMENT_NAME":"Agilent CE","COLUMN_NAME":"Fused-silica, i.d. 50 µm(cation)"},

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

"MS":{"INSTRUMENT_NAME":"Agilent CE-TOFMS","INSTRUMENT_TYPE":"Other","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"In-house software (MasterHands) was used for peak area integration and annotation."},

"MS_METABOLITE_DATA":{
"Units":"nmol/g",

"Data":[{"Metabolite":"Acetylcholine","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"Adenine","CC_LD_4":"30","CC_LD_5":"40","CC_LD_6":"36","CC_LD_8":"28","CC_FS_1":"67","CC_FS_2":"26","CC_FS_5":"24","CC_FS_7":"96","CC_560_FR1":"50","CC_561_FR2":"42","CC_562_FR3":"56","CC_563_FR4":"38","CC_In1":"50","CC_In3":"22","CC_In4":"887","CC_In6":"70","CC_566_FF1":"147","CC_567_FF2":"48","CC_568_FF3":"41","CC_569_FF4":"17"},{"Metabolite":"Adenosine","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"ADMA","CC_LD_4":"38","CC_LD_5":"45","CC_LD_6":"30","CC_LD_8":"54","CC_FS_1":"7.7","CC_FS_2":"15","CC_FS_5":"12","CC_FS_7":"9.3","CC_560_FR1":"27","CC_561_FR2":"39","CC_562_FR3":"35","CC_563_FR4":"46","CC_In1":"17","CC_In3":"11","CC_In4":"25","CC_In6":"59","CC_566_FF1":"10","CC_567_FF2":"12","CC_568_FF3":"11","CC_569_FF4":"N.D."},{"Metabolite":"Agmatine","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"AICAR","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"Ala","CC_LD_4":"87924","CC_LD_5":"82203","CC_LD_6":"69025","CC_LD_8":"125826","CC_FS_1":"40777","CC_FS_2":"45241","CC_FS_5":"43842","CC_FS_7":"34721","CC_560_FR1":"63521","CC_561_FR2":"83964","CC_562_FR3":"101304","CC_563_FR4":"76060","CC_In1":"88451","CC_In3":"74896","CC_In4":"89672","CC_In6":"81590","CC_566_FF1":"48258","CC_567_FF2":"42168","CC_568_FF3":"44746","CC_569_FF4":"2762"},{"Metabolite":"Ala-Ala","CC_LD_4":"52","CC_LD_5":"45","CC_LD_6":"54","CC_LD_8":"92","CC_FS_1":"44","CC_FS_2":"33","CC_FS_5":"14","CC_FS_7":"20","CC_560_FR1":"33","CC_561_FR2":"9.7","CC_562_FR3":"27","CC_563_FR4":"45","CC_In1":"40","CC_In3":"34","CC_In4":"58","CC_In6":"44","CC_566_FF1":"61","CC_567_FF2":"62","CC_568_FF3":"61","CC_569_FF4":"92"},{"Metabolite":"Allantoin","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"Alliin","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"alpha-Aminoadipate","CC_LD_4":"14","CC_LD_5":"22","CC_LD_6":"25","CC_LD_8":"21","CC_FS_1":"9.8","CC_FS_2":"12","CC_FS_5":"8.8","CC_FS_7":"8.2","CC_560_FR1":"24","CC_561_FR2":"15","CC_562_FR3":"16","CC_563_FR4":"21","CC_In1":"17","CC_In3":"10","CC_In4":"21","CC_In6":"15","CC_566_FF1":"10","CC_567_FF2":"13","CC_568_FF3":"16","CC_569_FF4":"N.D."},{"Metabolite":"alpha-Methylbenzylamine","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"Alpha-Methylserine","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"Amantadine","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D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ine","CC_LD_4":"1337","CC_LD_5":"1241","CC_LD_6":"1126","CC_LD_8":"2485","CC_FS_1":"1231","CC_FS_2":"830","CC_FS_5":"1124","CC_FS_7":"1019","CC_560_FR1":"541","CC_561_FR2":"542","CC_562_FR3":"1614","CC_563_FR4":"814","CC_In1":"1810","CC_In3":"2353","CC_In4":"2275","CC_In6":"2285","CC_566_FF1":"1937","CC_567_FF2":"1079","CC_568_FF3":"941","CC_569_FF4":"94"},{"Metabolite":"6-Aminohexanoate","CC_LD_4":"12","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"9.7","CC_FS_2":"N.D.","CC_FS_5":"21","CC_FS_7":"19","CC_560_FR1":"14","CC_561_FR2":"N.D.","CC_562_FR3":"24","CC_563_FR4":"12","CC_In1":"14","CC_In3":"N.D.","CC_In4":"23","CC_In6":"25","CC_566_FF1":"25","CC_567_FF2":"21","CC_568_FF3":"25","CC_569_FF4":"21"},{"Metabolite":"6-Hydroxynicotinate","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"66","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"6-Methylaminopurine","CC_LD_4":"18","CC_LD_5":"19","CC_LD_6":"15","CC_LD_8":"N.D.","CC_FS_1":"7.8","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"6.0","CC_560_FR1":"14","CC_561_FR2":"8.8","CC_562_FR3":"10","CC_563_FR4":"10","CC_In1":"8.4","CC_In3":"12","CC_In4":"16","CC_In6":"12","CC_566_FF1":"7.5","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"7,8-Dihydrobiopterin","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"7,8-Dihydroneopterin","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."},{"Metabolite":"7-Methylguanine","CC_LD_4":"29","CC_LD_5":"26","CC_LD_6":"23","CC_LD_8":"33","CC_FS_1":"15","CC_FS_2":"16","CC_FS_5":"15","CC_FS_7":"15","CC_560_FR1":"30","CC_561_FR2":"32","CC_562_FR3":"34","CC_563_FR4":"28","CC_In1":"39","CC_In3":"48","CC_In4":"52","CC_In6":"39","CC_566_FF1":"22","CC_567_FF2":"17","CC_568_FF3":"16","CC_569_FF4":"N.D."},{"Metabolite":"1-Methyl-2-pyrrolidinone","CC_LD_4":"N.D.","CC_LD_5":"N.D.","CC_LD_6":"N.D.","CC_LD_8":"N.D.","CC_FS_1":"N.D.","CC_FS_2":"N.D.","CC_FS_5":"N.D.","CC_FS_7":"N.D.","CC_560_FR1":"N.D.","CC_561_FR2":"N.D.","CC_562_FR3":"N.D.","CC_563_FR4":"N.D.","CC_In1":"N.D.","CC_In3":"N.D.","CC_In4":"N.D.","CC_In6":"N.D.","CC_566_FF1":"N.D.","CC_567_FF2":"N.D.","CC_568_FF3":"N.D.","CC_569_FF4":"N.D."}],

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m/z":"102.0918","Formula":"C5H12NO"},{"Metabolite":"beta-Leucine","KEGG ID":"C02486","quantified m/z":"132.1026","Formula":"C6H13NO2"},{"Metabolite":"Betonicine","KEGG ID":"C08269","quantified m/z":"160.0971","Formula":"C7H13NO3"},{"Metabolite":"Bis(3-aminopropyl)amine","KEGG ID":"C03375","quantified m/z":"132.1498","Formula":"C6H17N3"},{"Metabolite":"Cadaverine","KEGG ID":"C01672","quantified m/z":"103.1237","Formula":"C5H14N2"},{"Metabolite":"Canavanine","KEGG ID":"C00308","quantified m/z":"177.0984","Formula":"C5H12N4O3"},{"Metabolite":"Carnitine","KEGG ID":"C00318","quantified m/z":"162.1127","Formula":"C7H16NO3"},{"Metabolite":"Carnosine","KEGG ID":"C00386","quantified m/z":"114.0610","Formula":"C9H14N4O3"},{"Metabolite":"Castanospermine","KEGG ID":"C02256","quantified m/z":"190.1079","Formula":"C8H15NO4"},{"Metabolite":"Choline","KEGG ID":"C00114","quantified m/z":"104.1076","Formula":"C5H14NO"},{"Metabolite":"Citrulline","KEGG ID":"C00327","quantified m/z":"176.1033","Formula":"C6H13N3O3"},{"Metabolite":"Creatine","KEGG ID":"C00300","quantified m/z":"132.0773","Formula":"C4H9N3O2"},{"Metabolite":"Creatinine","KEGG ID":"C00791","quantified m/z":"114.0666","Formula":"C4H7N3O"},{"Metabolite":"Cyanocobalamin","KEGG ID":"C02823","quantified m/z":"678.2938","Formula":"C63H88N14O14PCo"},{"Metabolite":"Cyclohexylamine","KEGG ID":"C00571","quantified m/z":"100.1127","Formula":"C6H13N"},{"Metabolite":"Cys","KEGG ID":"C00097","quantified m/z":"122.0275","Formula":"C3H7NO2S"},{"Metabolite":"Cys-Gly","KEGG ID":"C01419","quantified m/z":"179.0491","Formula":"C5H10N2O3S"},{"Metabolite":"Cystathionine","KEGG ID":"C02291","quantified m/z":"223.0763","Formula":"C7H14N2O4S"},{"Metabolite":"Cysteamine","KEGG ID":"C01678","quantified m/z":"78.0377","Formula":"C2H7NS"},{"Metabolite":"Cysteine-glutathione disulphide","KEGG ID":"-","quantified m/z":"214.0521","Formula":"C13H22N4O8S2"},{"Metabolite":"Cystine","KEGG ID":"C00491","quantified m/z":"241.0319","Formula":"C6H12N2O4S2"},{"Metabolite":"Cytidine","KEGG ID":"C00475","quantified m/z":"244.0933","Formula":"C9H13N3O5"},{"Metabolite":"Cytosine","KEGG ID":"C00380","quantified m/z":"112.0508","Formula":"C4H5N3O"},{"Metabolite":"Desthiobiotin","KEGG ID":"C01909","quantified m/z":"215.1389","Formula":"C10H18N2O3"},{"Metabolite":"Diethanolamine","KEGG ID":"C06772","quantified m/z":"106.0867","Formula":"C4H11NO2"},{"Metabolite":"Dihydrouracil","KEGG ID":"C00429","quantified m/z":"115.0447","Formula":"C4H6N2O2"},{"Metabolite":"DOPA","KEGG ID":"C00355","quantified m/z":"198.0768","Formula":"C9H11NO4"},{"Metabolite":"Dopamine","KEGG ID":"C03758","quantified m/z":"154.0871","Formula":"C8H11NO2"},{"Metabolite":"Ectoine","KEGG ID":"C06231","quantified m/z":"143.0820","Formula":"C6H10N2O2"},{"Metabolite":"Epinephrine","KEGG ID":"C00788","quantified m/z":"184.0978","Formula":"C9H13NO3"},{"Metabolite":"Ethanolamine phosphate","KEGG ID":"C00346","quantified m/z":"140.0134","Formula":"C2H8NO4P"},{"Metabolite":"GABA","KEGG ID":"C00334","quantified m/z":"104.0712","Formula":"C4H9NO2"},{"Metabolite":"gamma-Butyrobetaine","KEGG ID":"C01181","quantified m/z":"146.1178","Formula":"C7H16NO2"},{"Metabolite":"gamma-Glu-2AB","KEGG ID":"-","quantified m/z":"233.1140","Formula":"C9H16N2O5"},{"Metabolite":"gamma-Glu-cys","KEGG ID":"C00669","quantified m/z":"251.0703","Formula":"C8H14N2O5S"},{"Metabolite":"gamma-Guanidinobutyrate","KEGG ID":"C01035","quantified m/z":"146.0928","Formula":"C5H11N3O2"},{"Metabolite":"Gln","KEGG ID":"C00064","quantified m/z":"147.0767","Formula":"C5H10N2O3"},{"Metabolite":"Glu","KEGG ID":"C00025","quantified m/z":"148.0606","Formula":"C5H9NO4"},{"Metabolite":"Glucosaminate","KEGG ID":"C03752","quantified m/z":"196.0826","Formula":"C6H13NO6"},{"Metabolite":"Glucosamine","KEGG ID":"C00329","quantified m/z":"180.0870","Formula":"C6H13NO5"},{"Metabolite":"Glu-Glu","KEGG ID":"C01425","quantified m/z":"277.1073","Formula":"C10H16N2O7"},{"Metabolite":"Glutathione(ox)","KEGG ID":"C00127","quantified m/z":"307.0846","Formula":"C20H32N6O12S2"},{"Metabolite":"Glutathione(red)","KEGG ID":"C00051","quantified m/z":"308.0915","Formula":"C10H17N3O6S"},{"Metabolite":"Gly","KEGG ID":"C00037","quantified m/z":"76.0402","Formula":"C2H5NO2"},{"Metabolite":"Glycerophosphorylcholine","KEGG ID":"C00670","quantified m/z":"258.1104","Formula":"C8H21NO6P"},{"Metabolite":"Gly-Gly","KEGG ID":"C02037","quantified m/z":"133.0615","Formula":"C4H8N2O3"},{"Metabolite":"Gly-Leu","KEGG ID":"C02155","quantified m/z":"189.1240","Formula":"C8H16N2O3"},{"Metabolite":"Gramine","KEGG ID":"C08304","quantified m/z":"175.1236","Formula":"C11H14N2"},{"Metabolite":"Guanidinoacetate","KEGG ID":"C00581","quantified m/z":"118.0613","Formula":"C3H7N3O2"},{"Metabolite":"Guanidinosuccinate","KEGG ID":"C03139","quantified m/z":"176.0674","Formula":"C5H9N3O4"},{"Metabolite":"Guanine","KEGG ID":"C00242","quantified m/z":"152.0577","Formula":"C5H5N5O"},{"Metabolite":"Guanosine","KEGG ID":"C00387","quantified m/z":"284.1004","Formula":"C10H13N5O5"},{"Metabolite":"Harman","KEGG ID":"C09209","quantified m/z":"183.0922","Formula":"C12H10N2"},{"Metabolite":"Hexylamine","KEGG ID":"C08306","quantified m/z":"102.1281","Formula":"C6H15N"},{"Metabolite":"His","KEGG ID":"C00135","quantified m/z":"156.0773","Formula":"C6H9N3O2"},{"Metabolite":"Histamine","KEGG ID":"C00388","quantified m/z":"112.0876","Formula":"C5H9N3"},{"Metabolite":"Histidinol","KEGG ID":"C00860","quantified m/z":"142.0979","Formula":"C6H11N3O"},{"Metabolite":"Homocarnosine","KEGG ID":"C00884","quantified m/z":"121.0685","Formula":"C10H16N4O3"},{"Metabolite":"Homocysteine","KEGG ID":"C00155","quantified m/z":"136.0435","Formula":"C4H9NO2S"},{"Metabolite":"Homocystine","KEGG ID":"C01817","quantified m/z":"269.0638","Formula":"C8H16N2O4S2"},{"Metabolite":"Homoserine","KEGG ID":"C00263","quantified m/z":"120.0680","Formula":"C4H9NO3"},{"Metabolite":"Hydroxyproline","KEGG ID":"C01015","quantified m/z":"132.0654","Formula":"C5H9NO3"},{"Metabolite":"Hydroxyurea","KEGG ID":"C07044","quantified m/z":"77.0351","Formula":"CH4N2O2"},{"Metabolite":"Hypotaurine","KEGG ID":"C00519","quantified m/z":"110.0270","Formula":"C2H7NO2S"},{"Metabolite":"Hypoxanthine","KEGG ID":"C00262","quantified m/z":"137.0460","Formula":"C5H4N4O"},{"Metabolite":"Ibotenate","KEGG ID":"C10600","quantified m/z":"159.0402","Formula":"C5H6N2O4"},{"Metabolite":"Ile","KEGG ID":"C00407","quantified m/z":"132.1022","Formula":"C6H13NO2"},{"Metabolite":"Imidazole-4-acetate","KEGG ID":"C02835","quantified m/z":"127.0501","Formula":"C5H6N2O2"},{"Metabolite":"Indole-3-acetaldehyde","KEGG ID":"C00637","quantified m/z":"160.0697","Formula":"C10H9NO"},{"Metabolite":"Indole-3-acetamide","KEGG ID":"C02693","quantified m/z":"175.0822","Formula":"C10H10N2O"},{"Metabolite":"Indole-3-acetate","KEGG ID":"C00954","quantified m/z":"176.0709","Formula":"C10H9NO2"},{"Metabolite":"Indole-3-ethanol","KEGG ID":"C00955","quantified m/z":"162.0954","Formula":"C10H11NO"},{"Metabolite":"Inosine","KEGG ID":"C00294","quantified m/z":"269.0887","Formula":"C10H12N4O5"},{"Metabolite":"Isoamylamine","KEGG ID":"C02640","quantified m/z":"88.1124","Formula":"C5H13N"},{"Metabolite":"Isobutylamine","KEGG ID":"C02787","quantified m/z":"74.0974","Formula":"C4H11N"},{"Metabolite":"Isonicotinamide","KEGG ID":"C02421","quantified m/z":"123.0552","Formula":"C6H6N2O"},{"Metabolite":"Isopropanolamine","KEGG ID":"C05771","quantified m/z":"76.0766","Formula":"C3H9NO"},{"Metabolite":"Kynurenine","KEGG ID":"C00328","quantified m/z":"209.0929","Formula":"C10H12N2O3"},{"Metabolite":"Leu","KEGG ID":"C00123","quantified m/z":"132.1023","Formula":"C6H13NO2"},{"Metabolite":"Leu-Leu-Tyr","KEGG ID":"C11331","quantified m/z":"408.2503","Formula":"C21H33N3O5"},{"Metabolite":"Lys","KEGG ID":"C00047","quantified 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m/z":"188.1745","Formula":"C9H21N3O"},{"Metabolite":"N-Acetylglucosamine","KEGG ID":"C00140","quantified m/z":"222.0978","Formula":"C8H15NO6"},{"Metabolite":"N-Acetylglucosylamine","KEGG ID":"C01239","quantified m/z":"221.1126","Formula":"C8H16N2O5"},{"Metabolite":"N-Acetylhistidine","KEGG ID":"C02997","quantified m/z":"198.0883","Formula":"C8H11N3O3"},{"Metabolite":"N-Acetylornithine","KEGG ID":"C00437","quantified m/z":"175.1082","Formula":"C7H14N2O3"},{"Metabolite":"N-Acetylputrescine","KEGG ID":"C02714","quantified m/z":"131.1169","Formula":"C6H14N2O"},{"Metabolite":"N-Acetylvaline","KEGG ID":"-","quantified m/z":"160.0973","Formula":"C7H13NO3"},{"Metabolite":"N-alpha,N-alpha-Dimethylhistidine","KEGG ID":"C04259","quantified m/z":"184.1085","Formula":"C8H13N3O2"},{"Metabolite":"N-alpha-Benzenolarginine ethylester","KEGG ID":"C01670","quantified m/z":"307.1771","Formula":"C15H22N4O3"},{"Metabolite":"n-Butyl a-Picolinate","KEGG ID":"-","quantified m/z":"180.1026","Formula":"C10H13NO2"},{"Metabolite":"N-epsilon-Acetyllysine","KEGG ID":"C02727","quantified m/z":"189.1243","Formula":"C8H16N2O3"},{"Metabolite":"N-gamma-Ethylglutamine","KEGG ID":"C01047","quantified m/z":"175.1078","Formula":"C7H14N2O3"},{"Metabolite":"Nicotinamide","KEGG ID":"C00153","quantified m/z":"123.0556","Formula":"C6H6N2O"},{"Metabolite":"Nicotine","KEGG ID":"C00745","quantified m/z":"163.1231","Formula":"C10H14N2"},{"Metabolite":"N-Methylalanine","KEGG ID":"C02721","quantified m/z":"104.0713","Formula":"C4H9NO2"},{"Metabolite":"N-Methylaniline","KEGG ID":"C02299","quantified m/z":"108.0812","Formula":"C7H9N"},{"Metabolite":"N-Methylglutamate","KEGG ID":"C01046","quantified m/z":"162.0763","Formula":"C6H11NO4"},{"Metabolite":"NMN","KEGG ID":"C00455","quantified m/z":"335.0639","Formula":"C11H15N2O8P"},{"Metabolite":"N-omega-Methyltryptamine","KEGG ID":"C06213","quantified m/z":"175.1235","Formula":"C11H14N2"},{"Metabolite":"Noradrenaline","KEGG 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m/z":"166.0867","Formula":"C9H11NO2"},{"Metabolite":"Phenethylamine","KEGG ID":"C05332","quantified m/z":"122.0968","Formula":"C8H11N"},{"Metabolite":"Phenylethanolamine","KEGG ID":"C02735","quantified m/z":"138.0917","Formula":"C8H11NO"},{"Metabolite":"Phe-Phe","KEGG ID":"-","quantified m/z":"313.1551","Formula":"C18H20N2O3"},{"Metabolite":"Phosphorylcholine","KEGG ID":"C00588","quantified m/z":"184.0742","Formula":"C5H15NO4P"},{"Metabolite":"Picolinamide","KEGG ID":"C01950","quantified m/z":"123.0554","Formula":"C6H6N2O"},{"Metabolite":"Pipecolate","KEGG ID":"C00408","quantified m/z":"130.0865","Formula":"C6H11NO2"},{"Metabolite":"Pro","KEGG ID":"C00148","quantified m/z":"116.0710","Formula":"C5H9NO2"},{"Metabolite":"Proline betaine","KEGG ID":"C10172","quantified m/z":"144.1023","Formula":"C7H13NO2"},{"Metabolite":"Pseudopelletierine","KEGG ID":"C10865","quantified m/z":"154.1233","Formula":"C9H15NO"},{"Metabolite":"Pterin","KEGG ID":"C00715","quantified m/z":"164.0570","Formula":"C6H5N5O"},{"Metabolite":"Purine","KEGG ID":"C15587","quantified m/z":"121.0516","Formula":"C5H4N4"},{"Metabolite":"Purine riboside","KEGG ID":"C01736","quantified m/z":"253.0942","Formula":"C10H12N4O4"},{"Metabolite":"Putrescine(1,4-Butanediamine)","KEGG ID":"C00134","quantified m/z":"89.1078","Formula":"C4H12N2"},{"Metabolite":"Pyrazole","KEGG ID":"C00481","quantified m/z":"69.0462","Formula":"C3H4N2"},{"Metabolite":"Pyridoxal","KEGG ID":"C00250","quantified m/z":"168.0662","Formula":"C8H9NO3"},{"Metabolite":"Pyridoxamine","KEGG ID":"C00534","quantified m/z":"169.0970","Formula":"C8H12N2O2"},{"Metabolite":"Pyridoxamine 5'-phosphate","KEGG ID":"C00647","quantified m/z":"249.0637","Formula":"C8H13N2O5P"},{"Metabolite":"Pyridoxine","KEGG ID":"C00314","quantified m/z":"170.0815","Formula":"C8H11NO3"},{"Metabolite":"Riboflavin","KEGG ID":"C00255","quantified m/z":"377.1457","Formula":"C17H20N4O6"},{"Metabolite":"Saccharopine","KEGG ID":"C00449","quantified m/z":"277.1401","Formula":"C11H20N2O6"},{"Metabolite":"SAH","KEGG ID":"C00021","quantified m/z":"193.0688","Formula":"C14H20N6O5S"},{"Metabolite":"SAM+","KEGG ID":"C00019","quantified m/z":"200.0768","Formula":"C15H23N6O5S"},{"Metabolite":"Sarcosine","KEGG ID":"C00213","quantified m/z":"90.0554","Formula":"C3H7NO2"},{"Metabolite":"SDMA","KEGG ID":"-","quantified m/z":"203.1516","Formula":"C8H18N4O2"},{"Metabolite":"Sepiapterin","KEGG ID":"C00835","quantified m/z":"238.0941","Formula":"C9H11N5O3"},{"Metabolite":"Ser","KEGG ID":"C00065","quantified m/z":"106.0503","Formula":"C3H7NO3"},{"Metabolite":"Serotonin","KEGG ID":"C00780","quantified m/z":"177.1028","Formula":"C10H12N2O"},{"Metabolite":"S-Lactoylglutathione","KEGG ID":"C03451","quantified m/z":"380.1125","Formula":"C13H21N3O8S"},{"Metabolite":"S-Methylmethionine","KEGG ID":"C03172","quantified m/z":"164.0746","Formula":"C6H14NO2S"},{"Metabolite":"Spermidine","KEGG ID":"C00315","quantified m/z":"146.1659","Formula":"C7H19N3"},{"Metabolite":"Spermine","KEGG ID":"C00750","quantified m/z":"102.1153","Formula":"C10H26N4"},{"Metabolite":"Synephrine","KEGG ID":"C04548","quantified m/z":"168.1024","Formula":"C9H13NO2"},{"Metabolite":"Taurine","KEGG ID":"C00245","quantified m/z":"126.0225","Formula":"C2H7NO3S"},{"Metabolite":"Taurocyamine","KEGG ID":"C01959","quantified m/z":"168.0436","Formula":"C3H9N3O3S"},{"Metabolite":"Tetrahydropalmatine","KEGG ID":"C02890","quantified m/z":"356.1863","Formula":"C21H25NO4"},{"Metabolite":"Thiamine","KEGG ID":"C00378","quantified m/z":"265.1125","Formula":"C12H17N4OS"},{"Metabolite":"Thiamine monophosphate","KEGG ID":"C01081","quantified m/z":"345.0788","Formula":"C12H18N4O4PS"},{"Metabolite":"Thr","KEGG ID":"C00188","quantified m/z":"120.0659","Formula":"C4H9NO3"},{"Metabolite":"Thymidine","KEGG ID":"C00214","quantified m/z":"243.0990","Formula":"C10H14N2O5"},{"Metabolite":"Thymine","KEGG ID":"C00178","quantified m/z":"127.0511","Formula":"C5H6N2O2"},{"Metabolite":"trans-Zeatin","KEGG ID":"C00371","quantified m/z":"220.1198","Formula":"C10H13N5O"},{"Metabolite":"TRH","KEGG ID":"C03958","quantified m/z":"363.1787","Formula":"C16H22N6O4"},{"Metabolite":"Trientine","KEGG ID":"C07166","quantified m/z":"147.1609","Formula":"C6H18N4"},{"Metabolite":"Trigonelline","KEGG ID":"C01004","quantified m/z":"138.0561","Formula":"C7H7NO2"},{"Metabolite":"Trimethylamine","KEGG ID":"C00565","quantified m/z":"60.0816","Formula":"C3H9N"},{"Metabolite":"Trimethylamine N-oxide","KEGG ID":"C01104","quantified m/z":"76.0769","Formula":"C3H9NO"},{"Metabolite":"Trimethylsulfonium","KEGG ID":"C01008","quantified m/z":"77.0427","Formula":"C3H9S"},{"Metabolite":"Tropine","KEGG ID":"C00729","quantified m/z":"142.1231","Formula":"C8H15NO"},{"Metabolite":"Tropinone","KEGG ID":"C00783","quantified m/z":"140.1072","Formula":"C8H13NO"},{"Metabolite":"Trp","KEGG ID":"C00078","quantified m/z":"205.0977","Formula":"C11H12N2O2"},{"Metabolite":"Tryptamine","KEGG ID":"C00398","quantified m/z":"161.1081","Formula":"C10H12N2"},{"Metabolite":"Tyr","KEGG ID":"C00082","quantified m/z":"182.0819","Formula":"C9H11NO3"},{"Metabolite":"Tyramine","KEGG ID":"C00483","quantified m/z":"138.0917","Formula":"C8H11NO"},{"Metabolite":"Uracil","KEGG ID":"C00106","quantified m/z":"113.0351","Formula":"C4H4N2O2"},{"Metabolite":"Urea","KEGG ID":"C00086","quantified m/z":"61.0403","Formula":"CH4N2O"},{"Metabolite":"Uridine","KEGG ID":"C00299","quantified m/z":"245.0797","Formula":"C9H12N2O6"},{"Metabolite":"Urocanate","KEGG ID":"C00785","quantified m/z":"139.0505","Formula":"C6H6N2O2"},{"Metabolite":"Val","KEGG ID":"C00183","quantified m/z":"118.0867","Formula":"C5H11NO2"},{"Metabolite":"Xanthine","KEGG ID":"C00385","quantified m/z":"153.0413","Formula":"C5H4N4O2"},{"Metabolite":"Xanthopterin","KEGG ID":"-","quantified m/z":"180.0516","Formula":"C6H5N5O2"},{"Metabolite":"Xanthosine","KEGG ID":"C01762","quantified m/z":"285.0830","Formula":"C10H12N4O6"},{"Metabolite":"1-Amino-1-cyclopentanecarboxylate","KEGG ID":"C03969","quantified m/z":"130.0865","Formula":"C6H11NO2"},{"Metabolite":"1-Aminocyclopropane-1-carboxylate","KEGG ID":"C01234","quantified m/z":"102.0556","Formula":"C4H7NO2"},{"Metabolite":"1-Methyladenosine","KEGG ID":"C02494","quantified m/z":"282.1202","Formula":"C11H15N5O4"},{"Metabolite":"1-Methylhistamine","KEGG ID":"C05127","quantified m/z":"126.1032","Formula":"C6H11N3"},{"Metabolite":"1-Methylnicotinamide","KEGG ID":"C02918","quantified m/z":"137.0710","Formula":"C7H9N2O"},{"Metabolite":"1,3-Diaminopropane","KEGG ID":"C00986","quantified m/z":"75.0928","Formula":"C3H10N2"},{"Metabolite":"2,3-Diaminopropionate","KEGG ID":"C06393","quantified m/z":"105.0666","Formula":"C3H8N2O2"},{"Metabolite":"2,4-Diaminobutyrate","KEGG ID":"C03283","quantified m/z":"119.0819","Formula":"C4H10N2O2"},{"Metabolite":"2,4-Dimethylaniline","KEGG ID":"C11003","quantified m/z":"122.0969","Formula":"C8H11N"},{"Metabolite":"2AB","KEGG ID":"C02356","quantified m/z":"104.0713","Formula":"C4H9NO2"},{"Metabolite":"2-Aminobenzimidazole","KEGG ID":"C10901","quantified m/z":"134.0717","Formula":"C7H7N3"},{"Metabolite":"2-Aminophenol","KEGG ID":"C01987","quantified m/z":"110.0604","Formula":"C6H7NO"},{"Metabolite":"2'-Deoxycytidine","KEGG ID":"C00881","quantified m/z":"228.0979","Formula":"C9H13N3O4"},{"Metabolite":"2'-Deoxyguanosine","KEGG ID":"C00330","quantified m/z":"268.1060","Formula":"C10H13N5O4"},{"Metabolite":"2'-Deoxyinosine","KEGG ID":"C05512","quantified m/z":"253.0871","Formula":"C10H12N4O4"},{"Metabolite":"2-Deoxystreptamine","KEGG ID":"C02627","quantified m/z":"163.1083","Formula":"C6H14N2O3"},{"Metabolite":"2-Guanidinobenzimidazole","KEGG ID":"C10898","quantified m/z":"176.0935","Formula":"C8H9N5"},{"Metabolite":"3,3',5-Triiodothyronine","KEGG ID":"C02465","quantified m/z":"651.7977","Formula":"C15H12NO4I3"},{"Metabolite":"3,5-Diiodo-tyrosine","KEGG ID":"C01060","quantified m/z":"433.8757","Formula":"C9H9NO3I2"},{"Metabolite":"3-Aminoisobutyrate","KEGG ID":"C05145","quantified m/z":"104.0712","Formula":"C4H9NO2"},{"Metabolite":"3-Aminopropane-1,2-diol","KEGG ID":"C06057","quantified m/z":"92.0711","Formula":"C3H9NO2"},{"Metabolite":"3-Aminopropionitrile","KEGG ID":"C05670","quantified m/z":"71.0610","Formula":"C3H6N2"},{"Metabolite":"3-Chloroalanine","KEGG ID":"C02635","quantified m/z":"124.0160","Formula":"C3H6NO2Cl"},{"Metabolite":"3-Hydroxyanthranilate","KEGG ID":"C00632","quantified m/z":"154.0504","Formula":"C7H7NO3"},{"Metabolite":"3-Hydroxykynurenine","KEGG ID":"C02794","quantified m/z":"225.0875","Formula":"C10H12N2O4"},{"Metabolite":"3-Iodotyrosine","KEGG ID":"C02515","quantified m/z":"307.9782","Formula":"C9H10NO3I"},{"Metabolite":"3-Methoxytyramine","KEGG ID":"C05587","quantified m/z":"168.1016","Formula":"C9H13NO2"},{"Metabolite":"3-Methyladenine","KEGG ID":"C00913","quantified m/z":"150.0777","Formula":"C6H7N5"},{"Metabolite":"3-Methylguanine","KEGG ID":"C02230","quantified m/z":"166.0728","Formula":"C6H7N5O"},{"Metabolite":"3-Methylhistidine","KEGG ID":"C01152","quantified m/z":"170.0930","Formula":"C7H11N3O2"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","KEGG ID":"C05135","quantified m/z":"154.0976","Formula":"C7H11N3O"},{"Metabolite":"4-Amino-3-hydroxybutyrate","KEGG ID":"C03678","quantified m/z":"120.0660","Formula":"C4H9NO3"},{"Metabolite":"4-Aminosalicylate","KEGG ID":"C02518","quantified m/z":"154.0505","Formula":"C7H7NO3"},{"Metabolite":"4-Hydroxymethylimidazole","KEGG ID":"C05562","quantified m/z":"99.0560","Formula":"C4H6N2O"},{"Metabolite":"4-Methyl-5-thiazoleethanol","KEGG ID":"C04294","quantified m/z":"144.0479","Formula":"C6H9NOS"},{"Metabolite":"5,6-Dimethylbenzimidazole","KEGG ID":"C03114","quantified m/z":"147.0923","Formula":"C9H10N2"},{"Metabolite":"5-Aminolevulinate","KEGG ID":"C00430","quantified m/z":"132.0663","Formula":"C5H9NO3"},{"Metabolite":"5-Aminovalerate","KEGG ID":"C00431","quantified m/z":"118.0868","Formula":"C5H11NO2"},{"Metabolite":"5'-Deoxyadenosine","KEGG ID":"C05198","quantified m/z":"252.1099","Formula":"C10H13N5O3"},{"Metabolite":"5-Hydroxyindoleacetate","KEGG ID":"C05635","quantified m/z":"192.0666","Formula":"C10H9NO3"},{"Metabolite":"5-Hydroxylysine","KEGG ID":"C16741","quantified m/z":"163.1083","Formula":"C6H14N2O3"},{"Metabolite":"5-Hydroxytryptophan","KEGG ID":"C00643","quantified m/z":"221.0930","Formula":"C11H12N2O3"},{"Metabolite":"5-Methoxyindoleacetate","KEGG ID":"C05660","quantified m/z":"206.0816","Formula":"C11H11NO3"},{"Metabolite":"5-Methoxytryptamine","KEGG ID":"C05659","quantified m/z":"191.1184","Formula":"C11H14N2O"},{"Metabolite":"5-Methyl-2'-deoxycytidine","KEGG ID":"C03592","quantified m/z":"242.1146","Formula":"C10H15N3O4"},{"Metabolite":"5-Methylcytosine","KEGG ID":"C02376","quantified m/z":"126.0663","Formula":"C5H7N3O"},{"Metabolite":"5-Methyltetrahydrofolate","KEGG ID":"C00440","quantified m/z":"460.1979","Formula":"C20H25N7O6"},{"Metabolite":"5-Methylthioadenosine","KEGG ID":"C00170","quantified m/z":"298.0973","Formula":"C11H15N5O3S"},{"Metabolite":"5-Oxoproline","KEGG ID":"C01879","quantified m/z":"128.0369","Formula":"C5H7NO3"},{"Metabolite":"6-Aminohexanoate","KEGG ID":"C02378","quantified m/z":"132.1003","Formula":"C6H13NO2"},{"Metabolite":"6-Hydroxynicotinate","KEGG ID":"C01020","quantified m/z":"140.0338","Formula":"C6H5NO3"},{"Metabolite":"6-Methylaminopurine","KEGG ID":"C08434","quantified m/z":"150.0778","Formula":"C6H7N5"},{"Metabolite":"7,8-Dihydrobiopterin","KEGG ID":"C02953","quantified m/z":"240.1096","Formula":"C9H13N5O3"},{"Metabolite":"7,8-Dihydroneopterin","KEGG ID":"C04874","quantified m/z":"256.1043","Formula":"C9H13N5O4"},{"Metabolite":"7-Methylguanine","KEGG ID":"C02242","quantified m/z":"166.0726","Formula":"C6H7N5O"},{"Metabolite":"1-Methyl-2-pyrrolidinone","KEGG ID":"C11118","quantified m/z":"100.0763","Formula":"C5H9NO"}]
}

}