{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002171","ANALYSIS_ID":"AN003557","VERSION":"1","CREATED_ON":"May 19, 2022, 6:49 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":"Serum 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":"Serum_LD_4",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"21-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_LD_5",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"22-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_LD_6",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"23-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_LD_8",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"LabDiet"},
"Additional sample data":{"RAW_FILE_NAME":"24-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FS_1",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"25-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FS_2",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"26-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FS_5",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"27-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_FS_7",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"28-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_560_FR1",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"29-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_561_FR2",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"30-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_562_FR3",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"31-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_563_FR4",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-rich"},
"Additional sample data":{"RAW_FILE_NAME":"32-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_In1",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"33-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_In3",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"34-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_In4",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"35-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_In6",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Inulin-supplemented"},
"Additional sample data":{"RAW_FILE_NAME":"36-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_566_FF1",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"37-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_567_FF2",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"38-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_568_FF3",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"39-130.d"}
},
{
"Subject ID":"-",
"Sample ID":"Serum_569_FF4",
"Factors":{"Organ":"Serum","Treatment":"SPF","Diet":"Fiber-free"},
"Additional sample data":{"RAW_FILE_NAME":"40-130.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Serum metabolome of specific-pathogen-free mice fed with five distinct rodent diets with varying fiber content and source.","SAMPLE_TYPE":"Serum"},

"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":"Serum 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":"μM",

"Data":[{"Metabolite":"Acetylcholine","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"Adenine","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"Adenosine","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"ADMA","Serum_LD_4":"3.5","Serum_LD_5":"4.1","Serum_LD_6":"4.2","Serum_LD_8":"3.2","Serum_FS_1":"1.2","Serum_FS_2":"1.6","Serum_FS_5":"1.5","Serum_FS_7":"1.5","Serum_560_FR1":"1.8","Serum_561_FR2":"2.2","Serum_562_FR3":"1.9","Serum_563_FR4":"2.1","Serum_In1":"1.4","Serum_In3":"1.5","Serum_In4":"1.1","Serum_In6":"1.6","Serum_566_FF1":"1.8","Serum_567_FF2":"N.D.","Serum_568_FF3":"1.2","Serum_569_FF4":"1.1"},{"Metabolite":"Agmatine","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"AICAR","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"Ala","Serum_LD_4":"455","Serum_LD_5":"621","Serum_LD_6":"653","Serum_LD_8":"1464","Serum_FS_1":"804","Serum_FS_2":"531","Serum_FS_5":"616","Serum_FS_7":"581","Serum_560_FR1":"982","Serum_561_FR2":"761","Serum_562_FR3":"893","Serum_563_FR4":"909","Serum_In1":"573","Serum_In3":"656","Serum_In4":"630","Serum_In6":"753","Serum_566_FF1":"845","Serum_567_FF2":"1672","Serum_568_FF3":"594","Serum_569_FF4":"465"},{"Metabolite":"Ala-Ala","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"Allantoin","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"Alliin","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","Serum_FS_2":"N.D.","Serum_FS_5":"N.D.","Serum_FS_7":"N.D.","Serum_560_FR1":"N.D.","Serum_561_FR2":"N.D.","Serum_562_FR3":"N.D.","Serum_563_FR4":"N.D.","Serum_In1":"N.D.","Serum_In3":"N.D.","Serum_In4":"N.D.","Serum_In6":"N.D.","Serum_566_FF1":"N.D.","Serum_567_FF2":"N.D.","Serum_568_FF3":"N.D.","Serum_569_FF4":"N.D."},{"Metabolite":"alpha-Aminoadipate","Serum_LD_4":"2.7","Serum_LD_5":"2.5","Serum_LD_6":"2.3","Serum_LD_8":"3.6","Serum_FS_1":"5.1","Serum_FS_2":"3.4","Serum_FS_5":"3.7","Serum_FS_7":"2.8","Serum_560_FR1":"1.9","Serum_561_FR2":"2.6","Serum_562_FR3":"2.3","Serum_563_FR4":"2.8","Serum_In1":"3.7","Serum_In3":"4.3","Serum_In4":"3.9","Serum_In6":"3.9","Serum_566_FF1":"3.9","Serum_567_FF2":"7.0","Serum_568_FF3":"4.6","Serum_569_FF4":"5.0"},{"Metabolite":"alpha-Methylbenzylamine","Serum_LD_4":"N.D.","Serum_LD_5":"N.D.","Serum_LD_6":"N.D.","Serum_LD_8":"N.D.","Serum_FS_1":"N.D.","S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m/z":"241.0323","Formula":"C6H12N2O4S2"},{"Metabolite":"Cytidine","KEGG ID":"C00475","quantified m/z":"244.0940","Formula":"C9H13N3O5"},{"Metabolite":"Cytosine","KEGG ID":"C00380","quantified m/z":"112.0509","Formula":"C4H5N3O"},{"Metabolite":"Desthiobiotin","KEGG ID":"C01909","quantified m/z":"215.1391","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":"198.0771","Formula":"C9H11NO4"},{"Metabolite":"Dopamine","KEGG ID":"C03758","quantified m/z":"154.0871","Formula":"C8H11NO2"},{"Metabolite":"Ectoine","KEGG ID":"C06231","quantified m/z":"143.0822","Formula":"C6H10N2O2"},{"Metabolite":"Epinephrine","KEGG ID":"C00788","quantified m/z":"184.0979","Formula":"C9H13NO3"},{"Metabolite":"Ethanolamine phosphate","KEGG ID":"C00346","quantified 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m/z":"277.1042","Formula":"C10H16N2O7"},{"Metabolite":"Glutathione(ox)","KEGG ID":"C00127","quantified m/z":"307.0844","Formula":"C20H32N6O12S2"},{"Metabolite":"Glutathione(red)","KEGG ID":"C00051","quantified m/z":"308.0919","Formula":"C10H17N3O6S"},{"Metabolite":"Gly","KEGG ID":"C00037","quantified m/z":"76.0403","Formula":"C2H5NO2"},{"Metabolite":"Glycerophosphorylcholine","KEGG ID":"C00670","quantified m/z":"258.1109","Formula":"C8H21NO6P"},{"Metabolite":"Gly-Gly","KEGG ID":"C02037","quantified m/z":"133.0614","Formula":"C4H8N2O3"},{"Metabolite":"Gly-Leu","KEGG ID":"C02155","quantified m/z":"189.1241","Formula":"C8H16N2O3"},{"Metabolite":"Gramine","KEGG ID":"C08304","quantified m/z":"175.1234","Formula":"C11H14N2"},{"Metabolite":"Guanidinoacetate","KEGG ID":"C00581","quantified m/z":"118.0612","Formula":"C3H7N3O2"},{"Metabolite":"Guanidinosuccinate","KEGG ID":"C03139","quantified m/z":"176.0672","Formula":"C5H9N3O4"},{"Metabolite":"Guanine","KEGG ID":"C00242","quantified m/z":"152.0574","Formula":"C5H5N5O"},{"Metabolite":"Guanosine","KEGG ID":"C00387","quantified m/z":"284.1002","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":"112.0865","Formula":"C5H9N3"},{"Metabolite":"Histidinol","KEGG ID":"C00860","quantified m/z":"142.0980","Formula":"C6H11N3O"},{"Metabolite":"Homocarnosine","KEGG ID":"C00884","quantified m/z":"121.0685","Formula":"C10H16N4O3"},{"Metabolite":"Homocysteine","KEGG ID":"C00155","quantified m/z":"136.0431","Formula":"C4H9NO2S"},{"Metabolite":"Homocystine","KEGG ID":"C01817","quantified m/z":"269.0630","Formula":"C8H16N2O4S2"},{"Metabolite":"Homoserine","KEGG ID":"C00263","quantified m/z":"120.0661","Formula":"C4H9NO3"},{"Metabolite":"Hydroxyproline","KEGG ID":"C01015","quantified m/z":"132.0656","Formula":"C5H9NO3"},{"Metabolite":"Hydroxyurea","KEGG ID":"C07044","quantified m/z":"77.0355","Formula":"CH4N2O2"},{"Metabolite":"Hypotaurine","KEGG ID":"C00519","quantified m/z":"110.0274","Formula":"C2H7NO2S"},{"Metabolite":"Hypoxanthine","KEGG ID":"C00262","quantified m/z":"137.0460","Formula":"C5H4N4O"},{"Metabolite":"Ibotenate","KEGG ID":"C10600","quantified m/z":"159.0403","Formula":"C5H6N2O4"},{"Metabolite":"Ile","KEGG ID":"C00407","quantified m/z":"132.1023","Formula":"C6H13NO2"},{"Metabolite":"Imidazole-4-acetate","KEGG ID":"C02835","quantified m/z":"127.0505","Formula":"C5H6N2O2"},{"Metabolite":"Indole-3-acetaldehyde","KEGG ID":"C00637","quantified m/z":"160.0710","Formula":"C10H9NO"},{"Metabolite":"Indole-3-acetamide","KEGG ID":"C02693","quantified m/z":"175.0875","Formula":"C10H10N2O"},{"Metabolite":"Indole-3-acetate","KEGG ID":"C00954","quantified m/z":"176.0699","Formula":"C10H9NO2"},{"Metabolite":"Indole-3-ethanol","KEGG ID":"C00955","quantified m/z":"162.0924","Formula":"C10H11NO"},{"Metabolite":"Inosine","KEGG ID":"C00294","quantified m/z":"269.0888","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":"76.0768","Formula":"C3H9NO"},{"Metabolite":"Kynurenine","KEGG ID":"C00328","quantified m/z":"209.0932","Formula":"C10H12N2O3"},{"Metabolite":"Leu","KEGG ID":"C00123","quantified m/z":"132.1023","Formula":"C6H13NO2"},{"Metabolite":"Leu-Leu-Tyr","KEGG ID":"C11331","quantified m/z":"408.2508","Formula":"C21H33N3O5"},{"Metabolite":"Lys","KEGG ID":"C00047","quantified 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m/z":"166.0869","Formula":"C9H11NO2"},{"Metabolite":"Phenethylamine","KEGG ID":"C05332","quantified m/z":"122.0968","Formula":"C8H11N"},{"Metabolite":"Phenylethanolamine","KEGG ID":"C02735","quantified m/z":"138.0918","Formula":"C8H11NO"},{"Metabolite":"Phe-Phe","KEGG ID":"-","quantified m/z":"313.1555","Formula":"C18H20N2O3"},{"Metabolite":"Phosphorylcholine","KEGG ID":"C00588","quantified m/z":"184.0743","Formula":"C5H15NO4P"},{"Metabolite":"Picolinamide","KEGG ID":"C01950","quantified m/z":"123.0556","Formula":"C6H6N2O"},{"Metabolite":"Pipecolate","KEGG ID":"C00408","quantified m/z":"130.0865","Formula":"C6H11NO2"},{"Metabolite":"Pro","KEGG ID":"C00148","quantified m/z":"116.0711","Formula":"C5H9NO2"},{"Metabolite":"Proline betaine","KEGG ID":"C10172","quantified m/z":"144.1024","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":"121.0520","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":"89.1082","Formula":"C4H12N2"},{"Metabolite":"Pyrazole","KEGG ID":"C00481","quantified m/z":"69.0464","Formula":"C3H4N2"},{"Metabolite":"Pyridoxal","KEGG ID":"C00250","quantified m/z":"168.0662","Formula":"C8H9NO3"},{"Metabolite":"Pyridoxamine","KEGG ID":"C00534","quantified m/z":"169.0974","Formula":"C8H12N2O2"},{"Metabolite":"Pyridoxamine 5'-phosphate","KEGG ID":"C00647","quantified m/z":"249.0638","Formula":"C8H13N2O5P"},{"Metabolite":"Pyridoxine","KEGG ID":"C00314","quantified m/z":"170.0818","Formula":"C8H11NO3"},{"Metabolite":"Riboflavin","KEGG ID":"C00255","quantified m/z":"377.1465","Formula":"C17H20N4O6"},{"Metabolite":"Saccharopine","KEGG ID":"C00449","quantified 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m/z":"127.0511","Formula":"C5H6N2O2"},{"Metabolite":"trans-Zeatin","KEGG ID":"C00371","quantified m/z":"220.1200","Formula":"C10H13N5O"},{"Metabolite":"TRH","KEGG ID":"C03958","quantified m/z":"363.1785","Formula":"C16H22N6O4"},{"Metabolite":"Trientine","KEGG ID":"C07166","quantified m/z":"147.1610","Formula":"C6H18N4"},{"Metabolite":"Trigonelline","KEGG ID":"C01004","quantified m/z":"138.0551","Formula":"C7H7NO2"},{"Metabolite":"Trimethylamine","KEGG ID":"C00565","quantified m/z":"60.0817","Formula":"C3H9N"},{"Metabolite":"Trimethylamine N-oxide","KEGG ID":"C01104","quantified m/z":"76.0768","Formula":"C3H9NO"},{"Metabolite":"Trimethylsulfonium","KEGG ID":"C01008","quantified m/z":"77.0428","Formula":"C3H9S"},{"Metabolite":"Tropine","KEGG ID":"C00729","quantified m/z":"142.1233","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":"161.1082","Formula":"C10H12N2"},{"Metabolite":"Tyr","KEGG ID":"C00082","quantified m/z":"182.0822","Formula":"C9H11NO3"},{"Metabolite":"Tyramine","KEGG ID":"C00483","quantified m/z":"138.0917","Formula":"C8H11NO"},{"Metabolite":"Uracil","KEGG ID":"C00106","quantified m/z":"113.0346","Formula":"C4H4N2O2"},{"Metabolite":"Urea","KEGG ID":"C00086","quantified m/z":"61.0403","Formula":"CH4N2O"},{"Metabolite":"Uridine","KEGG ID":"C00299","quantified m/z":"245.0781","Formula":"C9H12N2O6"},{"Metabolite":"Urocanate","KEGG ID":"C00785","quantified m/z":"139.0505","Formula":"C6H6N2O2"},{"Metabolite":"Val","KEGG ID":"C00183","quantified m/z":"118.0868","Formula":"C5H11NO2"},{"Metabolite":"Xanthine","KEGG ID":"C00385","quantified m/z":"153.0413","Formula":"C5H4N4O2"},{"Metabolite":"Xanthopterin","KEGG ID":"-","quantified m/z":"180.0515","Formula":"C6H5N5O2"},{"Metabolite":"Xanthosine","KEGG ID":"C01762","quantified m/z":"285.0819","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":"102.0557","Formula":"C4H7NO2"},{"Metabolite":"1-Methyl-2-pyrrolidinone","KEGG ID":"C11118","quantified m/z":"100.0763","Formula":"C5H9NO"},{"Metabolite":"1-Methyladenosine","KEGG ID":"C02494","quantified m/z":"282.1200","Formula":"C11H15N5O4"},{"Metabolite":"1-Methylhistamine","KEGG ID":"C05127","quantified m/z":"126.1029","Formula":"C6H11N3"},{"Metabolite":"1-Methylnicotinamide","KEGG ID":"C02918","quantified m/z":"137.0707","Formula":"C7H9N2O"},{"Metabolite":"1,3-Diaminopropane","KEGG ID":"C00986","quantified m/z":"75.0927","Formula":"C3H10N2"},{"Metabolite":"2,3-Diaminopropionate","KEGG ID":"C06393","quantified m/z":"105.0665","Formula":"C3H8N2O2"},{"Metabolite":"2,4-Diaminobutyrate","KEGG ID":"C03283","quantified m/z":"119.0820","Formula":"C4H10N2O2"},{"Metabolite":"2,4-Dimethylaniline","KEGG ID":"C11003","quantified m/z":"122.0969","Formula":"C8H11N"},{"Metabolite":"2AB","KEGG ID":"C02356","quantified m/z":"104.0712","Formula":"C4H9NO2"},{"Metabolite":"2-Aminobenzimidazole","KEGG ID":"C10901","quantified m/z":"134.0719","Formula":"C7H7N3"},{"Metabolite":"2-Aminophenol","KEGG ID":"C01987","quantified m/z":"110.0603","Formula":"C6H7NO"},{"Metabolite":"2'-Deoxycytidine","KEGG ID":"C00881","quantified m/z":"228.0989","Formula":"C9H13N3O4"},{"Metabolite":"2'-Deoxyguanosine","KEGG ID":"C00330","quantified m/z":"268.1053","Formula":"C10H13N5O4"},{"Metabolite":"2'-Deoxyinosine","KEGG ID":"C05512","quantified m/z":"253.0871","Formula":"C10H12N4O4"},{"Metabolite":"2-Deoxystreptamine","KEGG ID":"C02627","quantified m/z":"163.1085","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":"651.7980","Formula":"C15H12NO4I3"},{"Metabolite":"3,5-Diiodo-tyrosine","KEGG ID":"C01060","quantified m/z":"433.8751","Formula":"C9H9NO3I2"},{"Metabolite":"3-Aminoisobutyrate","KEGG ID":"C05145","quantified m/z":"104.0713","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":"71.0609","Formula":"C3H6N2"},{"Metabolite":"3-Chloroalanine","KEGG ID":"C02635","quantified m/z":"124.0161","Formula":"C3H6NO2Cl"},{"Metabolite":"3-Hydroxyanthranilate","KEGG ID":"C00632","quantified m/z":"154.0504","Formula":"C7H7NO3"},{"Metabolite":"3-Hydroxykynurenine","KEGG ID":"C02794","quantified m/z":"225.0873","Formula":"C10H12N2O4"},{"Metabolite":"3-Iodotyrosine","KEGG ID":"C02515","quantified m/z":"307.9782","Formula":"C9H10NO3I"},{"Metabolite":"3-Methoxytyramine","KEGG ID":"C05587","quantified m/z":"168.1017","Formula":"C9H13NO2"},{"Metabolite":"3-Methyladenine","KEGG ID":"C00913","quantified m/z":"150.0776","Formula":"C6H7N5"},{"Metabolite":"3-Methylguanine","KEGG ID":"C02230","quantified m/z":"166.0727","Formula":"C6H7N5O"},{"Metabolite":"3-Methylhistidine","KEGG ID":"C01152","quantified m/z":"170.0929","Formula":"C7H11N3O2"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","KEGG ID":"C05135","quantified m/z":"154.0977","Formula":"C7H11N3O"},{"Metabolite":"4-Amino-3-hydroxybutyrate","KEGG ID":"C03678","quantified m/z":"120.0661","Formula":"C4H9NO3"},{"Metabolite":"4-Aminosalicylate","KEGG ID":"C02518","quantified m/z":"154.0507","Formula":"C7H7NO3"},{"Metabolite":"4-Hydroxymethylimidazole","KEGG ID":"C05562","quantified m/z":"99.0561","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":"132.0657","Formula":"C5H9NO3"},{"Metabolite":"5-Aminovalerate","KEGG ID":"C00431","quantified m/z":"118.0868","Formula":"C5H11NO2"},{"Metabolite":"5'-Deoxyadenosine","KEGG ID":"C05198","quantified m/z":"252.1097","Formula":"C10H13N5O3"},{"Metabolite":"5-Hydroxyindoleacetate","KEGG ID":"C05635","quantified m/z":"192.0662","Formula":"C10H9NO3"},{"Metabolite":"5-Hydroxylysine","KEGG ID":"C16741","quantified m/z":"163.1083","Formula":"C6H14N2O3"},{"Metabolite":"5-Hydroxytryptophan","KEGG ID":"C00643","quantified m/z":"221.0935","Formula":"C11H12N2O3"},{"Metabolite":"5-Methoxyindoleacetate","KEGG ID":"C05660","quantified m/z":"206.0813","Formula":"C11H11NO3"},{"Metabolite":"5-Methoxytryptamine","KEGG ID":"C05659","quantified m/z":"191.1187","Formula":"C11H14N2O"},{"Metabolite":"5-Methyl-2'-deoxycytidine","KEGG ID":"C03592","quantified m/z":"242.1145","Formula":"C10H15N3O4"},{"Metabolite":"5-Methylcytosine","KEGG ID":"C02376","quantified m/z":"126.0664","Formula":"C5H7N3O"},{"Metabolite":"5-Methyltetrahydrofolate","KEGG ID":"C00440","quantified m/z":"460.1924","Formula":"C20H25N7O6"},{"Metabolite":"5-Methylthioadenosine","KEGG ID":"C00170","quantified m/z":"298.0972","Formula":"C11H15N5O3S"},{"Metabolite":"5-Oxoproline","KEGG ID":"C01879","quantified m/z":"128.0367","Formula":"C5H7NO3"},{"Metabolite":"6-Aminohexanoate","KEGG ID":"C02378","quantified m/z":"132.1024","Formula":"C6H13NO2"},{"Metabolite":"6-Hydroxynicotinate","KEGG ID":"C01020","quantified m/z":"140.0348","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":"240.1098","Formula":"C9H13N5O3"},{"Metabolite":"7,8-Dihydroneopterin","KEGG ID":"C04874","quantified m/z":"256.1044","Formula":"C9H13N5O4"},{"Metabolite":"7-Methylguanine","KEGG ID":"C02242","quantified m/z":"166.0727","Formula":"C6H7N5O"}]
}

}