{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002479","ANALYSIS_ID":"AN004079","VERSION":"1","CREATED_ON":"February 16, 2023, 7:40 am"},

"PROJECT":{"PROJECT_TITLE":"High body temperature increases gut microbiota-dependent host resistance to influenza A virus and SARS-CoV-2 infection","PROJECT_SUMMARY":"While a common symptom of influenza and coronavirus disease 2019 (COVID-19) is fever, its physiological role on host resistance to viral infection remains less clear. Here, we demonstrate that exposure of mice to the high ambient temperature of 36 °C increase host resistance to viral pathogens including influenza virus and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). High heat-exposed mice increase basal body temperature over 38 °C to enable more bile acids production in a gut microbiota-dependent manner. The gut microbiota-derived deoxycholic acid (DCA) and its plasma membrane-bound receptor Takeda G-protein-coupled receptor 5 (TGR5) signaling increase host resistance to influenza virus infection by suppressing virus replication and neutrophil-dependent tissue damage. Furthermore, the DCA and its nuclear farnesoid X receptor (FXR) agonist protect Syrian hamster from lethal SARS-CoV-2 infection. Moreover, we demonstrate that certain bile acids are reduced in the plasma of COVID-19 patients who developed moderate I/II disease compared with minor illness group. These findings uncover an unexpected mechanism by which virus-induced high fever increases host resistance to influenza virus and SARS-CoV-2 in a gut microbiota-dependent manner.","INSTITUTE":"Keio University","LAST_NAME":"Fukuda","FIRST_NAME":"Shinji","ADDRESS":"Kakuganji 246-2, Mizukami, Tsuruoka City Yamagata,Japan","EMAIL":"sfukuda@sfc.keio.ac.jp","PHONE":"+81-235-29-800"},

"STUDY":{"STUDY_TITLE":"High body temperature increases gut microbiota-dependent host resistance to influenza A virus and SARS-CoV-2 infection (Hamster)","STUDY_SUMMARY":"While a common symptom of influenza and coronavirus disease 2019 (COVID-19) is fever, its physiological role on host resistance to viral infection remains less clear. Here, we demonstrate that exposure of mice to the high ambient temperature of 36 °C increase host resistance to viral pathogens including influenza virus and severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). High heat-exposed mice increase basal body temperature over 38 °C to enable more bile acids production in a gut microbiota-dependent manner. The gut microbiota-derived deoxycholic acid (DCA) and its plasma membrane-bound receptor Takeda G-protein-coupled receptor 5 (TGR5) signaling increase host resistance to influenza virus infection by suppressing virus replication and neutrophil-dependent tissue damage. Furthermore, the DCA and its nuclear farnesoid X receptor (FXR) agonist protect Syrian hamster from lethal SARS-CoV-2 infection. Moreover, we demonstrate that certain bile acids are reduced in the plasma of COVID-19 patients who developed moderate I/II disease compared with minor illness group. These findings uncover an unexpected mechanism by which virus-induced high fever increases host resistance to influenza virus and SARS-CoV-2 in a gut microbiota-dependent manner.","INSTITUTE":"Keio University","LAST_NAME":"Fukuda","FIRST_NAME":"Shinji","ADDRESS":"Kakuganji 246-2, Mizukami, Tsuruoka City Yamagata,Japan","EMAIL":"sfukuda@sfc.keio.ac.jp","PHONE":"+81-235-29-800"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mesocricetus Auratus"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/1.d 230_anion/1.d"}
},
{
"Subject ID":"-",
"Sample ID":"2",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/2.d 230_anion/2.d"}
},
{
"Subject ID":"-",
"Sample ID":"3",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/3.d 230_anion/3.d"}
},
{
"Subject ID":"-",
"Sample ID":"4",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/4.d 230_anion/4.d"}
},
{
"Subject ID":"-",
"Sample ID":"5",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/5.d 230_anion/5.d"}
},
{
"Subject ID":"-",
"Sample ID":"6",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/6.d 230_anion/6.d"}
},
{
"Subject ID":"-",
"Sample ID":"7",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/7.d 230_anion/7.d"}
},
{
"Subject ID":"-",
"Sample ID":"8",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/8.d 230_anion/8.d"}
},
{
"Subject ID":"-",
"Sample ID":"9",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/9.d 230_anion/9.d"}
},
{
"Subject ID":"-",
"Sample ID":"10",
"Factors":{"Temperature":"4 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/10.d 230_anion/10.d"}
},
{
"Subject ID":"-",
"Sample ID":"11",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/11.d 230_anion/11.d"}
},
{
"Subject ID":"-",
"Sample ID":"12",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/12.d 230_anion/12.d"}
},
{
"Subject ID":"-",
"Sample ID":"13",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/13.d 230_anion/13.d"}
},
{
"Subject ID":"-",
"Sample ID":"14",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/14.d 230_anion/14.d"}
},
{
"Subject ID":"-",
"Sample ID":"15",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/15.d 230_anion/15.d"}
},
{
"Subject ID":"-",
"Sample ID":"16",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/16.d 230_anion/16.d"}
},
{
"Subject ID":"-",
"Sample ID":"17",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/17.d 230_anion/17.d"}
},
{
"Subject ID":"-",
"Sample ID":"18",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/18.d 230_anion/18.d"}
},
{
"Subject ID":"-",
"Sample ID":"19",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/19.d 230_anion/19.d"}
},
{
"Subject ID":"-",
"Sample ID":"20",
"Factors":{"Temperature":"22 ℃ for 7 d"},
"Additional sample data":{"species":"Hamster","strain/country":"Syrian hamster","genotype":"WT","age":"5w","sex":"female","sample_type":"cecal contents","diet":"CA-1","RAW_FILE_NAME":"230_cation/20.d 230_anion/20.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cecal contents were obtained by dissection.","SAMPLE_TYPE":"cecal contents"},

"TREATMENT":{"TREATMENT_SUMMARY":"NA"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cecal metabolites were extracted by vigorous shaking with methanol containing methionine sulfone and D-camphol-10-sulfonic acid as the internal standards."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"CE","INSTRUMENT_NAME":"Agilent CE","COLUMN_NAME":"Fused-silica, i.d. 50 µm(cation)","SOLVENT_A":"none","SOLVENT_B":"none","FLOW_GRADIENT":"none","FLOW_RATE":"none","COLUMN_TEMPERATURE":"none"},

"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","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Adenine","1":"84","2":"123","3":"103","4":"67","5":"68","6":"106","7":"68","8":"58","9":"77","10":"67","11":"76","12":"84","13":"57","14":"67","15":"53","16":"81","17":"85","18":"164","19":"77","20":"108"},{"Metabolite":"Adenosine","1":"70","2":"82","3":"138","4":"106","5":"111","6":"70","7":"113","8":"172","9":"154","10":"186","11":"106","12":"140","13":"164","14":"170","15":"192","16":"177","17":"140","18":"59","19":"135","20":"166"},{"Metabolite":"ADMA","1":"19","2":"24","3":"20","4":"22","5":"21","6":"21","7":"18","8":"22","9":"22","10":"N.D.","11":"21","12":"26","13":"26","14":"15","15":"25","16":"19","17":"23","18":"16","19":"15","20":"17"},{"Metabolite":"Agmatine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"AICAR","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Ala","1":"2121","2":"2637","3":"2526","4":"3000","5":"3400","6":"2397","7":"2485","8":"2622","9":"2388","10":"2324","11":"2090","12":"2338","13":"2149","14":"2256","15":"1912","16":"2034","17":"1975","18":"1819","19":"2009","20":"1885"},{"Metabolite":"Ala-Ala","1":"73","2":"91","3":"75","4":"91","5":"112","6":"104","7":"93","8":"72","9":"59","10":"61","11":"74","12":"73","13":"77","14":"101","15":"63","16":"99","17":"70","18":"119","19":"63","20":"66"},{"Metabolite":"Allantoin","1":"302","2":"366","3":"328","4":"236","5":"288","6":"259","7":"278","8":"298","9":"285","10":"290","11":"224","12":"333","13":"262","14":"348","15":"374","16":"244","17":"363","18":"293","19":"292","20":"282"},{"Metabolite":"Alliin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"alpha-Aminoadipate","1":"N.D.","2":"41","3":"36","4":"32","5":"45","6":"41","7":"38","8":"49","9":"34","10":"43","11":"14","12":"38","13":"26","14":"24","15":"32","16":"33","17":"24","18":"N.D.","19":"22","20":"32"},{"Metabolite":"alpha-Methylbenzylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Alpha-Methylserine","1":"8","2":"9","3":"N.D.","4":"8","5":"13","6":"13","7":"N.D.","8":"11","9":"N.D.","10":"11","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"12","16":"10","17":"12","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Amantadine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Aniline","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Anserine","1":"12","2":"11","3":"11","4":"12","5":"11","6":"12","7":"132","8":"15","9":"16","10":"205","11":"14","12":"14","13":"19","14":"12","15":"11","16":"12","17":"12","18":"13","19":"14","20":"12"},{"Metabolite":"Anthranilate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Arg","1":"313","2":"348","3":"363","4":"356","5":"402","6":"389","7":"424","8":"406","9":"399","10":"378","11":"358","12":"367","13":"351","14":"386","15":"375","16":"375","17":"318","18":"519","19":"277","20":"265"},{"Metabolite":"Arginine ethyl ester","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Argininosuccinate","1":"59","2":"67","3":"69","4":"71","5":"67","6":"53","7":"57","8":"80","9":"65","10":"77","11":"75","12":"76","13":"86","14":"64","15":"58","16":"51","17":"64","18":"46","19":"59","20":"60"},{"Metabolite":"Asn","1":"142","2":"122","3":"211","4":"202","5":"147","6":"191","7":"197","8":"239","9":"155","10":"247","11":"229","12":"224","13":"251","14":"252","15":"245","16":"253","17":"184","18":"123","19":"197","20":"158"},{"Metabolite":"Asp","1":"21044","2":"14696","3":"18548","4":"15542","5":"18448","6":"14949","7":"12615","8":"11743","9":"12610","10":"9455","11":"30751","12":"19122","13":"20725","14":"23149","15":"13067","16":"22569","17":"15057","18":"26672","19":"15544","20":"15637"},{"Metabolite":"Benzamide","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Benzamidine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Benzimidazole","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"beta-Ala","1":"99","2":"140","3":"131","4":"139","5":"165","6":"163","7":"162","8":"125","9":"140","10":"118","11":"95","12":"115","13":"107","14":"124","15":"124","16":"130","17":"119","18":"121","19":"97","20":"100"},{"Metabolite":"beta-Ala-Lys","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"beta-Cyanoalanine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"beta-Imidazolelactate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Betaine","1":"58","2":"71","3":"115","4":"173","5":"143","6":"92","7":"88","8":"117","9":"106","10":"81","11":"60","12":"86","13":"88","14":"72","15":"73","16":"81","17":"68","18":"56","19":"92","20":"78"},{"Metabolite":"Betaine aldehyde","1":"N.D.","2":"94","3":"N.D.","4":"N.D.","5":"119","6":"86","7":"116","8":"76","9":"N.D.","10":"N.D.","11":"95","12":"N.D.","13":"N.D.","14":"85","15":"92","16":"93","17":"93","18":"N.D.","19":"80","20":"101"},{"Metabolite":"beta-Leucine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Betonicine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Bis(3-aminopropyl)amine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cadaverine","1":"11","2":"21","3":"N.D.","4":"N.D.","5":"6","6":"10","7":"N.D.","8":"N.D.","9":"8","10":"N.D.","11":"8","12":"6","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"8","18":"10","19":"9","20":"7"},{"Metabolite":"Canavanine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Carnitine","1":"6","2":"N.D.","3":"12","4":"17","5":"15","6":"9","7":"10","8":"N.D.","9":"7","10":"6","11":"N.D.","12":"N.D.","13":"N.D.","14":"5","15":"N.D.","16":"6","17":"6","18":"N.D.","19":"7","20":"6"},{"Metabolite":"Carnosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Castanospermine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Choline","1":"146","2":"108","3":"183","4":"240","5":"256","6":"186","7":"191","8":"107","9":"166","10":"159","11":"124","12":"112","13":"112","14":"150","15":"113","16":"166","17":"157","18":"119","19":"143","20":"139"},{"Metabolite":"Citrulline","1":"433","2":"422","3":"303","4":"423","5":"372","6":"349","7":"319","8":"239","9":"309","10":"263","11":"741","12":"525","13":"549","14":"595","15":"254","16":"355","17":"346","18":"519","19":"577","20":"502"},{"Metabolite":"Creatine","1":"152","2":"80","3":"349","4":"539","5":"383","6":"188","7":"159","8":"102","9":"236","10":"312","11":"87","12":"82","13":"86","14":"144","15":"106","16":"114","17":"156","18":"74","19":"569","20":"81"},{"Metabolite":"Creatinine","1":"14","2":"11","3":"13","4":"13","5":"17","6":"12","7":"13","8":"12","9":"13","10":"14","11":"13","12":"12","13":"14","14":"15","15":"12","16":"13","17":"15","18":"18","19":"33","20":"15"},{"Metabolite":"Cyanocobalamin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cyclohexylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cys","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cys-Gly","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cystathionine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cysteamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cystine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Cytidine","1":"22","2":"24","3":"29","4":"29","5":"24","6":"33","7":"31","8":"34","9":"32","10":"31","11":"N.D.","12":"32","13":"25","14":"28","15":"25","16":"29","17":"22","18":"27","19":"30","20":"30"},{"Metabolite":"Cytosine","1":"11","2":"12","3":"7","4":"N.D.","5":"N.D.","6":"8","7":"N.D.","8":"6","9":"9","10":"N.D.","11":"10","12":"7","13":"N.D.","14":"9","15":"N.D.","16":"8","17":"N.D.","18":"11","19":"8","20":"N.D."},{"Metabolite":"Desthiobiotin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Diethanolamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"12","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"5","11":"10","12":"28","13":"N.D.","14":"15","15":"N.D.","16":"23","17":"27","18":"N.D.","19":"7","20":"N.D."},{"Metabolite":"Dihydrouracil","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"DOPA","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Dopamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Ectoine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"8","10":"N.D.","11":"N.D.","12":"N.D.","13":"8","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Epinephrine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Ethanolamine phosphate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"GABA","1":"345","2":"524","3":"235","4":"376","5":"285","6":"291","7":"221","8":"237","9":"245","10":"231","11":"256","12":"303","13":"361","14":"364","15":"291","16":"406","17":"267","18":"273","19":"194","20":"227"},{"Metabolite":"gamma-Butyrobetaine","1":"57","2":"27","3":"23","4":"38","5":"35","6":"58","7":"13","8":"40","9":"16","10":"24","11":"14","12":"6","13":"7","14":"23","15":"15","16":"43","17":"23","18":"30","19":"9","20":"27"},{"Metabolite":"gamma-Glu-cys","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"gamma-Guanidinobutyrate","1":"15","2":"9","3":"9","4":"10","5":"10","6":"14","7":"9","8":"9","9":"10","10":"7","11":"15","12":"12","13":"11","14":"11","15":"9","16":"15","17":"11","18":"22","19":"12","20":"13"},{"Metabolite":"Gln","1":"980","2":"1828","3":"1507","4":"2009","5":"2093","6":"1805","7":"2389","8":"1848","9":"1562","10":"1676","11":"1370","12":"1427","13":"1276","14":"1449","15":"1250","16":"1394","17":"1347","18":"1077","19":"1208","20":"1322"},{"Metabolite":"Glu","1":"40427","2":"48219","3":"46120","4":"50820","5":"53921","6":"53176","7":"44237","8":"32582","9":"28072","10":"29046","11":"43415","12":"40691","13":"38209","14":"55705","15":"33843","16":"57644","17":"42650","18":"54702","19":"29091","20":"38591"},{"Metabolite":"Glucosaminate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Glucosamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Glu-Glu","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Glutathione(ox)","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Glutathione(red)","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Gly","1":"1477","2":"1347","3":"1450","4":"1565","5":"1555","6":"1533","7":"1307","8":"1181","9":"1385","10":"1218","11":"1576","12":"1689","13":"1627","14":"1563","15":"1399","16":"1974","17":"1449","18":"1510","19":"1295","20":"1264"},{"Metabolite":"Glycerophosphorylcholine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Gly-Gly","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"8","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Gly-Leu","1":"17","2":"20","3":"18","4":"24","5":"18","6":"22","7":"18","8":"17","9":"22","10":"17","11":"32","12":"24","13":"30","14":"26","15":"22","16":"29","17":"20","18":"34","19":"24","20":"22"},{"Metabolite":"Gramine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Guanidinoacetate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Guanidinosuccinate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Guanine","1":"46","2":"60","3":"46","4":"52","5":"57","6":"48","7":"45","8":"54","9":"61","10":"70","11":"42","12":"32","13":"39","14":"32","15":"40","16":"35","17":"40","18":"40","19":"35","20":"43"},{"Metabolite":"Guanosine","1":"N.D.","2":"N.D.","3":"22","4":"28","5":"39","6":"20","7":"32","8":"31","9":"16","10":"31","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"22","18":"N.D.","19":"24","20":"19"},{"Metabolite":"Harman","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Hexylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"His","1":"304","2":"263","3":"277","4":"279","5":"291","6":"262","7":"279","8":"278","9":"281","10":"259","11":"339","12":"325","13":"318","14":"320","15":"247","16":"306","17":"242","18":"313","19":"267","20":"235"},{"Metabolite":"Histamine","1":"11","2":"7","3":"N.D.","4":"3","5":"4","6":"N.D.","7":"7","8":"N.D.","9":"7","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"4","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"5","20":"N.D."},{"Metabolite":"Histidinol","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"5","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"8"},{"Metabolite":"Homocarnosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Homocysteine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Homocystine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Homoserine","1":"75","2":"105","3":"100","4":"111","5":"141","6":"117","7":"105","8":"105","9":"95","10":"116","11":"86","12":"91","13":"91","14":"82","15":"80","16":"71","17":"84","18":"73","19":"76","20":"90"},{"Metabolite":"Hydroxyproline","1":"216","2":"275","3":"279","4":"308","5":"368","6":"326","7":"316","8":"279","9":"284","10":"305","11":"195","12":"335","13":"268","14":"251","15":"287","16":"297","17":"289","18":"149","19":"207","20":"297"},{"Metabolite":"Hydroxyurea","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Hypotaurine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Hypoxanthine","1":"249","2":"540","3":"215","4":"287","5":"427","6":"305","7":"268","8":"139","9":"208","10":"136","11":"205","12":"125","13":"89","14":"134","15":"62","16":"111","17":"198","18":"295","19":"168","20":"239"},{"Metabolite":"Ibotenate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Ile","1":"135","2":"151","3":"161","4":"179","5":"165","6":"176","7":"148","8":"132","9":"138","10":"150","11":"146","12":"151","13":"132","14":"139","15":"124","16":"140","17":"126","18":"146","19":"126","20":"137"},{"Metabolite":"Imidazole-4-acetate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Indole-3-acetaldehyde","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Indole-3-acetamide","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Indole-3-acetate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Indole-3-ethanol","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Inosine","1":"97","2":"169","3":"279","4":"423","5":"650","6":"240","7":"367","8":"297","9":"258","10":"283","11":"142","12":"190","13":"179","14":"218","15":"138","16":"173","17":"182","18":"122","19":"222","20":"276"},{"Metabolite":"Isoamylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Isobutylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Isonicotinamide","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Isopropanolamine","1":"N.D.","2":"5","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Kynurenine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Leu","1":"142","2":"139","3":"174","4":"188","5":"182","6":"159","7":"143","8":"138","9":"148","10":"156","11":"154","12":"155","13":"134","14":"147","15":"129","16":"143","17":"133","18":"136","19":"137","20":"124"},{"Metabolite":"Leu-Leu-Tyr","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Lys","1":"826","2":"847","3":"926","4":"1069","5":"1106","6":"1042","7":"1050","8":"1165","9":"1117","10":"1167","11":"974","12":"1047","13":"1119","14":"987","15":"1055","16":"1013","17":"993","18":"1135","19":"945","20":"888"},{"Metabolite":"Lysinamide","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Mannosamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Melamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Melatonin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Met","1":"112","2":"155","3":"153","4":"158","5":"178","6":"152","7":"138","8":"118","9":"126","10":"131","11":"145","12":"153","13":"131","14":"128","15":"117","16":"120","17":"110","18":"113","19":"96","20":"121"},{"Metabolite":"Metformin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Methionine sulfoxide","1":"41","2":"44","3":"37","4":"42","5":"52","6":"44","7":"54","8":"68","9":"55","10":"65","11":"54","12":"46","13":"48","14":"49","15":"51","16":"43","17":"63","18":"33","19":"34","20":"43"},{"Metabolite":"Methionine sulfoximine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Methylguanidine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Muramate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Muscimol","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N,N-Dimethylglycine","1":"N.D.","2":"14","3":"N.D.","4":"23","5":"N.D.","6":"13","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"19","19":"17","20":"N.D."},{"Metabolite":"N1,N12-Diacetylspermine","1":"N.D.","2":"3","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N1-Acetylspermidine","1":"6","2":"12","3":"7","4":"8","5":"8","6":"10","7":"9","8":"9","9":"7","10":"5","11":"5","12":"9","13":"7","14":"6","15":"6","16":"7","17":"7","18":"5","19":"7","20":"7"},{"Metabolite":"N1-Acetylspermine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N6,N6,N6-Trimethyllysine","1":"13","2":"15","3":"17","4":"12","5":"17","6":"17","7":"17","8":"18","9":"18","10":"11","11":"11","12":"14","13":"16","14":"14","15":"15","16":"13","17":"12","18":"10","19":"11","20":"11"},{"Metabolite":"N6-Methyl-2'-deoxyadenosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N8-Acetylspermidine","1":"N.D.","2":"3","3":"N.D.","4":"N.D.","5":"3","6":"3","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"3","12":"N.D.","13":"N.D.","14":"4","15":"N.D.","16":"N.D.","17":"N.D.","18":"3","19":"N.D.","20":"3"},{"Metabolite":"N-Acetylglucosamine","1":"107","2":"131","3":"N.D.","4":"N.D.","5":"N.D.","6":"86","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"103","19":"N.D.","20":"N.D."},{"Metabolite":"N-Acetylglucosylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N-Acetylhistidine","1":"30","2":"20","3":"19","4":"14","5":"11","6":"11","7":"19","8":"14","9":"18","10":"12","11":"89","12":"37","13":"42","14":"53","15":"16","16":"18","17":"19","18":"43","19":"54","20":"29"},{"Metabolite":"N-Acetylornithine","1":"13","2":"26","3":"22","4":"22","5":"25","6":"30","7":"24","8":"21","9":"28","10":"23","11":"19","12":"26","13":"23","14":"22","15":"21","16":"21","17":"21","18":"15","19":"20","20":"23"},{"Metabolite":"N-Acetylputrescine","1":"7","2":"9","3":"6","4":"5","5":"7","6":"6","7":"5","8":"N.D.","9":"7","10":"6","11":"8","12":"7","13":"4","14":"6","15":"7","16":"6","17":"7","18":"5","19":"7","20":"10"},{"Metabolite":"N-alpha,N-alpha-Dimethylhistidine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N-alpha-Benzenolarginine ethylester","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N-epsilon-Acetyllysine","1":"27","2":"25","3":"23","4":"27","5":"24","6":"24","7":"21","8":"22","9":"19","10":"24","11":"29","12":"23","13":"23","14":"25","15":"25","16":"25","17":"28","18":"32","19":"20","20":"21"},{"Metabolite":"N-gamma-Ethylglutamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Nicotinamide","1":"119","2":"80","3":"108","4":"106","5":"239","6":"92","7":"83","8":"90","9":"91","10":"100","11":"119","12":"148","13":"112","14":"101","15":"160","16":"121","17":"107","18":"113","19":"97","20":"100"},{"Metabolite":"Nicotine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N-Methylalanine","1":"42","2":"72","3":"72","4":"112","5":"115","6":"63","7":"101","8":"122","9":"78","10":"79","11":"43","12":"71","13":"91","14":"58","15":"105","16":"74","17":"73","18":"43","19":"75","20":"58"},{"Metabolite":"N-Methylaniline","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N-Methylglutamate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"NMN","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"N-omega-Methyltryptamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Noradrenaline","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Nornicotine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"o-Acetylcarnitine","1":"5","2":"N.D.","3":"N.D.","4":"8","5":"6","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"4","14":"5","15":"5","16":"N.D.","17":"4","18":"N.D.","19":"5","20":"N.D."},{"Metabolite":"O-Acetylserine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Octopine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Octylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Ornithine","1":"136","2":"228","3":"104","4":"230","5":"127","6":"239","7":"144","8":"109","9":"204","10":"138","11":"107","12":"219","13":"211","14":"174","15":"146","16":"188","17":"152","18":"131","19":"165","20":"181"},{"Metabolite":"o-Succinylhomoserine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"p-Aminobenzoate","1":"39","2":"31","3":"24","4":"31","5":"31","6":"30","7":"28","8":"40","9":"28","10":"44","11":"33","12":"38","13":"41","14":"27","15":"37","16":"25","17":"39","18":"37","19":"37","20":"41"},{"Metabolite":"Phe","1":"63","2":"60","3":"59","4":"60","5":"63","6":"54","7":"51","8":"49","9":"50","10":"61","11":"75","12":"60","13":"52","14":"69","15":"54","16":"50","17":"48","18":"75","19":"55","20":"49"},{"Metabolite":"Phenethylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Phenylethanolamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Phosphorylcholine","1":"N.D.","2":"N.D.","3":"N.D.","4":"38","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"41","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"73","17":"45","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Picolinamide","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Pipecolate","1":"23","2":"31","3":"27","4":"28","5":"26","6":"26","7":"27","8":"104","9":"40","10":"31","11":"28","12":"27","13":"33","14":"27","15":"26","16":"26","17":"25","18":"15","19":"31","20":"23"},{"Metabolite":"Pro","1":"1085","2":"956","3":"902","4":"720","5":"1022","6":"949","7":"793","8":"1176","9":"1231","10":"970","11":"1328","12":"1364","13":"1434","14":"1098","15":"897","16":"1067","17":"957","18":"993","19":"1045","20":"843"},{"Metabolite":"Proline betaine","1":"15","2":"12","3":"15","4":"12","5":"11","6":"10","7":"11","8":"11","9":"16","10":"9","11":"11","12":"9","13":"13","14":"11","15":"7","16":"10","17":"13","18":"9","19":"13","20":"10"},{"Metabolite":"Pseudopelletierine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Pterin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Purine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Purine riboside","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Putrescine(1,4-Butanediamine)","1":"32","2":"33","3":"46","4":"78","5":"47","6":"55","7":"69","8":"61","9":"88","10":"97","11":"38","12":"74","13":"77","14":"48","15":"98","16":"74","17":"58","18":"28","19":"51","20":"64"},{"Metabolite":"Pyrazole","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Pyridoxal","1":"13","2":"14","3":"N.D.","4":"N.D.","5":"N.D.","6":"12","7":"14","8":"12","9":"N.D.","10":"11","11":"N.D.","12":"14","13":"12","14":"11","15":"12","16":"12","17":"11","18":"17","19":"11","20":"13"},{"Metabolite":"Pyridoxamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Pyridoxamine 5'-phosphate","1":"34","2":"37","3":"38","4":"45","5":"48","6":"39","7":"32","8":"34","9":"28","10":"42","11":"36","12":"41","13":"38","14":"40","15":"36","16":"45","17":"34","18":"43","19":"22","20":"33"},{"Metabolite":"Pyridoxine","1":"14","2":"17","3":"16","4":"20","5":"20","6":"16","7":"22","8":"20","9":"20","10":"27","11":"13","12":"17","13":"19","14":"14","15":"23","16":"17","17":"19","18":"7","19":"17","20":"18"},{"Metabolite":"Riboflavin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Saccharopine","1":"14","2":"N.D.","3":"N.D.","4":"N.D.","5":"19","6":"26","7":"23","8":"N.D.","9":"N.D.","10":"14","11":"12","12":"N.D.","13":"30","14":"N.D.","15":"18","16":"15","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"SAH","1":"N.D.","2":"4","3":"8","4":"8","5":"6","6":"4","7":"4","8":"6","9":"N.D.","10":"6","11":"N.D.","12":"N.D.","13":"N.D.","14":"4","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"SAM+","1":"25","2":"41","3":"42","4":"47","5":"50","6":"50","7":"47","8":"37","9":"34","10":"41","11":"27","12":"37","13":"35","14":"41","15":"35","16":"37","17":"33","18":"19","19":"22","20":"29"},{"Metabolite":"Sarcosine","1":"21","2":"10","3":"15","4":"12","5":"21","6":"13","7":"13","8":"12","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"14","14":"10","15":"22","16":"N.D.","17":"10","18":"13","19":"29","20":"9"},{"Metabolite":"Sepiapterin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Ser","1":"674","2":"766","3":"789","4":"911","5":"998","6":"719","7":"579","8":"749","9":"755","10":"851","11":"778","12":"823","13":"769","14":"738","15":"746","16":"728","17":"722","18":"504","19":"631","20":"720"},{"Metabolite":"Serotonin","1":"N.D.","2":"N.D.","3":"16","4":"N.D.","5":"N.D.","6":"N.D.","7":"14","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"S-Lactoylglutathione","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"S-Methylmethionine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Spermidine","1":"83","2":"40","3":"53","4":"46","5":"48","6":"39","7":"38","8":"46","9":"54","10":"57","11":"58","12":"40","13":"62","14":"54","15":"23","16":"37","17":"43","18":"51","19":"35","20":"42"},{"Metabolite":"Spermine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Synephrine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Taurine","1":"399","2":"298","3":"838","4":"1334","5":"935","6":"489","7":"622","8":"357","9":"626","10":"749","11":"N.D.","12":"370","13":"N.D.","14":"456","15":"399","16":"458","17":"482","18":"N.D.","19":"467","20":"319"},{"Metabolite":"Taurocyamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Tetrahydropalmatine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Thiamine","1":"N.D.","2":"10","3":"N.D.","4":"6","5":"7","6":"5","7":"5","8":"6","9":"N.D.","10":"5","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Thiamine monophosphate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Thr","1":"903","2":"1103","3":"1046","4":"1051","5":"1134","6":"1188","7":"1019","8":"949","9":"1101","10":"947","11":"999","12":"1246","13":"1238","14":"1119","15":"945","16":"1124","17":"1106","18":"892","19":"1082","20":"1021"},{"Metabolite":"Thymidine","1":"259","2":"373","3":"N.D.","4":"N.D.","5":"337","6":"N.D.","7":"397","8":"N.D.","9":"N.D.","10":"412","11":"N.D.","12":"84","13":"408","14":"371","15":"265","16":"387","17":"N.D.","18":"456","19":"N.D.","20":"610"},{"Metabolite":"Thymine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"trans-Zeatin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"TRH","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Trientine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Trigonelline","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Trimethylamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Trimethylamine N-oxide","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Trimethylsulfonium","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Tropine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Tropinone","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Trp","1":"67.90082624","2":"74.87697984","3":"66.73570219","4":"73.35504825","5":"76.95814182","6":"62.32768621","7":"74.37223173","8":"75.18904876","9":"81.97614704","10":"60.21024958","11":"106.4381974","12":"83.46121732","13":"84.30113239","14":"81.5290902","15":"69.35161892","16":"72.95773241","17":"68.69667363","18":"93.08116855","19":"72.08610355","20":"68.67421854"},{"Metabolite":"Tryptamine","1":"N.D.","2":"8.325974264","3":"N.D.","4":"N.D.","5":"6.906134622","6":"5.694659788","7":"11.93724527","8":"7.880700966","9":"7.275183452","10":"6.843705506","11":"8.095887066","12":"9.790829748","13":"6.643605339","14":"6.046511427","15":"9.28179498","16":"8.164807115","17":"7.172604079","18":"7.323573709","19":"7.37942413","20":"9.056297878"},{"Metabolite":"Tyr","1":"159.435476","2":"129.061374","3":"142.7083041","4":"154.5853913","5":"159.83643","6":"146.2701434","7":"115.1735333","8":"124.0377878","9":"118.2839148","10":"112.7578443","11":"156.735543","12":"154.2625656","13":"123.170968","14":"167.6462757","15":"125.6986405","16":"143.0822317","17":"104.1790964","18":"309.8338731","19":"118.5670277","20":"113.3867982"},{"Metabolite":"Tyramine","1":"12.95749452","2":"17.45560475","3":"13.98618512","4":"18.11729028","5":"17.20277125","6":"19.89491198","7":"15.43505829","8":"13.48698493","9":"15.94733186","10":"16.38057426","11":"8.729019718","12":"13.54208989","13":"12.38855926","14":"13.98703165","15":"14.11139521","16":"12.01047621","17":"17.5631459","18":"21.3263322","19":"15.7624968","20":"14.71858334"},{"Metabolite":"Uracil","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"169.2498445","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"113.2793687","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"171.4841375","19":"N.D.","20":"N.D."},{"Metabolite":"Urea","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Uridine","1":"297.5161904","2":"369.9162172","3":"418.8033313","4":"410.9535058","5":"453.6120673","6":"429.470366","7":"349.3231876","8":"359.9822334","9":"348.9241615","10":"368.3190305","11":"324.8052164","12":"344.6888455","13":"285.1384215","14":"327.6255138","15":"287.0399168","16":"350.2784647","17":"391.6099253","18":"402.5540008","19":"360.5796059","20":"420.4054061"},{"Metabolite":"Urocanate","1":"15.92835477","2":"N.D.","3":"7.54540041","4":"N.D.","5":"N.D.","6":"8.037726405","7":"N.D.","8":"N.D.","9":"N.D.","10":"14.07380358","11":"13.00201514","12":"13.51157459","13":"10.42620336","14":"7.476028483","15":"11.26251828","16":"10.78820023","17":"13.31421561","18":"14.10480043","19":"N.D.","20":"12.94320727"},{"Metabolite":"Val","1":"467.6006293","2":"536.2876639","3":"543.0238974","4":"636.2387665","5":"577.2473091","6":"572.9455585","7":"526.4425196","8":"492.1292754","9":"457.7541752","10":"478.8105242","11":"612.1600827","12":"496.9224167","13":"479.3243704","14":"544.8045727","15":"439.0969658","16":"454.1318127","17":"421.2139659","18":"431.5125156","19":"452.6935728","20":"494.2812485"},{"Metabolite":"Xanthine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"176.9829264","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Xanthosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"1-Amino-1-cyclopentanecarboxylate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"1-Aminocyclopropane-1-carboxylate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"6.60320759","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"1-Methyl-2-pyrrolidinone","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"1-Methyladenosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"1-Methylhistamine","1":"9.964120442","2":"11.1795386","3":"9.06524141","4":"8.42711921","5":"10.01047595","6":"9.172135239","7":"10.40082996","8":"10.3792712","9":"12.63429846","10":"6.480170617","11":"5.180498361","12":"7.471050945","13":"8.467462378","14":"7.617024942","15":"6.094109936","16":"6.175294769","17":"9.075424874","18":"13.08238887","19":"11.9305558","20":"9.405675469"},{"Metabolite":"1-Methylnicotinamide","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"1,3-Diaminopropane","1":"15.98849577","2":"N.D.","3":"21.6586477","4":"29.9596473","5":"N.D.","6":"N.D.","7":"24.53630469","8":"17.94337836","9":"N.D.","10":"35.0956524","11":"N.D.","12":"31.18349977","13":"26.8643782","14":"N.D.","15":"34.98448362","16":"22.72428444","17":"22.27584661","18":"N.D.","19":"23.6793353","20":"N.D."},{"Metabolite":"2,3-Diaminopropionate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2,4-Diaminobutyrate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2,4-Dimethylaniline","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2AB","1":"80.160747","2":"95.85819241","3":"82.20732407","4":"76.63347766","5":"98.23670127","6":"69.57833219","7":"85.24315888","8":"111.5293062","9":"109.8877788","10":"95.48818691","11":"84.50486555","12":"111.3602341","13":"100.0555378","14":"80.20146321","15":"105.7984159","16":"83.91918081","17":"74.93009782","18":"78.35194073","19":"86.45286208","20":"87.3748133"},{"Metabolite":"2-Aminobenzimidazole","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2-Aminophenol","1":"N.D.","2":"N.D.","3":"4.051979519","4":"N.D.","5":"5.226331366","6":"4.402564304","7":"3.936360958","8":"N.D.","9":"N.D.","10":"3.988202853","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2'-Deoxycytidine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2'-Deoxyguanosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2'-Deoxyinosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2-Deoxystreptamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2-Guanidinobenzimidazole","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3,3',5-Triiodothyronine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3,5-Diiodo-tyrosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Aminoisobutyrate","1":"N.D.","2":"6.244005436","3":"9.149525411","4":"7.070231584","5":"8.574502062","6":"9.308546891","7":"6.120221146","8":"7.447898241","9":"6.662348408","10":"N.D.","11":"8.157653582","12":"8.901992956","13":"9.570049429","14":"6.324656599","15":"6.525008777","16":"6.535809529","17":"N.D.","18":"8.06792512","19":"N.D.","20":"N.D."},{"Metabolite":"3-Aminopropane-1,2-diol","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Aminopropionitrile","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Chloroalanine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Hydroxyanthranilate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Hydroxykynurenine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Iodotyrosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Methoxytyramine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Methyladenine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Methylguanine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"3-Methylhistidine","1":"21.26542221","2":"22.3399654","3":"21.49891821","4":"21.95451469","5":"25.48258182","6":"19.42374244","7":"25.55459328","8":"24.88362243","9":"24.19244647","10":"18.60499184","11":"23.44932197","12":"28.45365509","13":"20.0840615","14":"22.41674081","15":"19.33469115","16":"20.51285569","17":"20.23920254","18":"11.57946427","19":"23.1381856","20":"21.65181046"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","1":"4.781385932","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"4-Amino-3-hydroxybutyrate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"4-Aminosalicylate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"4-Hydroxymethylimidazole","1":"12.37901372","2":"14.6195141","3":"13.72463661","4":"17.0855644","5":"17.41696795","6":"14.24544754","7":"15.08976293","8":"17.27387052","9":"16.95752134","10":"14.95177706","11":"12.03084323","12":"14.84983228","13":"14.80054662","14":"11.89140255","15":"18.01512865","16":"13.46680074","17":"14.34661118","18":"9.960092035","19":"13.95536563","20":"14.8381806"},{"Metabolite":"4-Methyl-5-thiazoleethanol","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5,6-Dimethylbenzimidazole","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Aminolevulinate","1":"N.D.","2":"N.D.","3":"6.602124527","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"6.962315834","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Aminovalerate","1":"1429.940748","2":"3659.815758","3":"2445.248672","4":"3350.362572","5":"3349.013936","6":"2410.209815","7":"2722.332907","8":"2406.329334","9":"1925.834216","10":"2298.663038","11":"2029.25813","12":"2028.40681","13":"2420.202611","14":"2775.963001","15":"2331.868045","16":"2782.976827","17":"2191.653136","18":"1778.658848","19":"1135.728967","20":"1833.460263"},{"Metabolite":"5'-Deoxyadenosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Hydroxyindoleacetate","1":"72.26778172","2":"N.D.","3":"N.D.","4":"85.39023421","5":"97.67609271","6":"N.D.","7":"104.216915","8":"112.8977096","9":"124.8353178","10":"145.8593746","11":"N.D.","12":"116.4771644","13":"111.1096393","14":"79.94342426","15":"98.87006855","16":"74.03449628","17":"113.0134695","18":"N.D.","19":"146.1313201","20":"145.4593021"},{"Metabolite":"5-Hydroxylysine","1":"19.50555973","2":"19.61375678","3":"22.21836375","4":"21.38646544","5":"22.86586655","6":"23.68479584","7":"25.986635","8":"27.236396","9":"28.97702627","10":"28.91906862","11":"21.10648022","12":"27.45364651","13":"22.77242648","14":"19.65129822","15":"26.24710426","16":"21.23685954","17":"25.8869561","18":"16.55735348","19":"24.4250205","20":"22.20584119"},{"Metabolite":"5-Hydroxytryptophan","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Methoxyindoleacetate","1":"N.D.","2":"N.D.","3":"79.10543747","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Methoxytryptamine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Methyl-2'-deoxycytidine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Methylcytosine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"16.14862444","8":"N.D.","9":"N.D.","10":"21.91194758","11":"N.D.","12":"N.D.","13":"68.77514908","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Methyltetrahydrofolate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"5-Methylthioadenosine","1":"12.55912397","2":"13.56274162","3":"18.92188737","4":"16.14044603","5":"18.27714007","6":"19.68184352","7":"15.74141644","8":"16.76470129","9":"16.22261596","10":"17.94597722","11":"15.98724349","12":"17.67635433","13":"14.77784073","14":"19.53870074","15":"15.28784407","16":"16.65301571","17":"17.51145439","18":"N.D.","19":"11.82452421","20":"10.64114357"},{"Metabolite":"5-Oxoproline","1":"267.0064578","2":"347.2402328","3":"263.5583386","4":"320.5138926","5":"318.6956177","6":"357.1034237","7":"247.5010841","8":"180.0104492","9":"181.8709387","10":"249.6900334","11":"308.0326784","12":"306.7813938","13":"263.2088781","14":"292.5350778","15":"270.7850144","16":"346.8208595","17":"320.0152113","18":"268.0334137","19":"151.237532","20":"292.3944602"},{"Metabolite":"6-Aminohexanoate","1":"19.92759317","2":"16.47422169","3":"15.88921333","4":"19.05912223","5":"25.61207603","6":"17.56440516","7":"28.3303885","8":"33.2045971","9":"28.30630795","10":"30.28484736","11":"17.849134","12":"22.09297433","13":"24.02253529","14":"18.56923446","15":"31.76116447","16":"13.7583304","17":"23.25829788","18":"17.05955928","19":"23.79659581","20":"18.59785687"},{"Metabolite":"6-Hydroxynicotinate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"6-Methylaminopurine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"7,8-Dihydrobiopterin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"7,8-Dihydroneopterin","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"7-Methylguanine","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"N.D.","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."}],

"Metabolites":[{"Metabolite":"Acetylcholine","KEGG":"C01996","mass number":"146.118104"},{"Metabolite":"Adenine","KEGG":"C00147","mass number":"135.054495"},{"Metabolite":"Adenosine","KEGG":"C00212","mass number":"267.096755"},{"Metabolite":"ADMA","KEGG":"C03626","mass number":"202.142976"},{"Metabolite":"Agmatine","KEGG":"C00179","mass number":"130.121846"},{"Metabolite":"AICAR","KEGG":"C04677","mass number":"338.062754"},{"Metabolite":"Ala","KEGG":"C00041","mass number":"89.047679"},{"Metabolite":"Ala-Ala","KEGG":"C00993","mass number":"160.084793"},{"Metabolite":"Allantoin","KEGG":"C01551","mass number":"158.043991"},{"Metabolite":"Alliin","KEGG":"C08265","mass number":"177.045966"},{"Metabolite":"alpha-Aminoadipate","KEGG":"C00956","mass number":"161.068809"},{"Metabolite":"alpha-Methylbenzylamine","KEGG":"C02455","mass number":"121.089149"},{"Metabolite":"Alpha-Methylserine","KEGG":"C02115","mass number":"119.058244"},{"Metabolite":"Amantadine","KEGG":"C06818","mass number":"151.136099"},{"Metabolite":"Aniline","KEGG":"C00292","mass number":"93.057849"},{"Metabolite":"Anserine","KEGG":"C01262","mass number":"240.122241"},{"Metabolite":"Anthranilate","KEGG":"C00108","mass number":"137.047679"},{"Metabolite":"Arg","KEGG":"C00062","mass number":"174.111676"},{"Metabolite":"Arginine ethyl ester","KEGG":"C01404","mass number":"202.142976"},{"Metabolite":"Argininosuccinate","KEGG":"C03406","mass number":"290.122636"},{"Metabolite":"Asn","KEGG":"C00152","mass number":"132.053493"},{"Metabolite":"Asp","KEGG":"C00049","mass number":"133.037509"},{"Metabolite":"Benzamide","KEGG":"C09815","mass number":"121.052764"},{"Metabolite":"Benzamidine","KEGG":"C01784","mass number":"120.068748"},{"Metabolite":"Benzimidazole","KEGG":"C02009","mass number":"118.053098"},{"Metabolite":"beta-Ala","KEGG":"C00099","mass number":"89.047679"},{"Metabolite":"beta-Ala-Lys","KEGG":"C05341","mass number":"217.142642"},{"Metabolite":"beta-Cyanoalanine","KEGG":"C02512","mass number":"114.042928"},{"Metabolite":"beta-Imidazolelactate","KEGG":"C05568","mass number":"156.053493"},{"Metabolite":"Betaine","KEGG":"C00719","mass number":"117.078979"},{"Metabolite":"Betaine aldehyde","KEGG":"C00576","mass number":"102.091889"},{"Metabolite":"beta-Leucine","KEGG":"C02486","mass number":"131.094629"},{"Metabolite":"Betonicine","KEGG":"C08269","mass number":"159.089544"},{"Metabolite":"Bis(3-aminopropyl)amine","KEGG":"C03375","mass number":"131.142247"},{"Metabolite":"Cadaverine","KEGG":"C01672","mass number":"102.115698"},{"Metabolite":"Canavanine","KEGG":"C00308","mass number":"176.090941"},{"Metabolite":"Carnitine","KEGG":"C00318","mass number":"162.113019"},{"Metabolite":"Carnosine","KEGG":"C00386","mass number":"226.106591"},{"Metabolite":"Castanospermine","KEGG":"C02256","mass number":"189.100109"},{"Metabolite":"Choline","KEGG":"C00114","mass number":"104.107539"},{"Metabolite":"Citrulline","KEGG":"C00327","mass number":"175.095692"},{"Metabolite":"Creatine","KEGG":"C00300","mass number":"131.069477"},{"Metabolite":"Creatinine","KEGG":"C00791","mass number":"113.058912"},{"Metabolite":"Cyanocobalamin","KEGG":"C02823","mass number":"1295.634209"},{"Metabolite":"Cyclohexylamine","KEGG":"C00571","mass number":"99.104799"},{"Metabolite":"Cys","KEGG":"C00097","mass number":"121.019751"},{"Metabolite":"Cys-Gly","KEGG":"C01419","mass number":"178.041215"},{"Metabolite":"Cystathionine","KEGG":"C02291","mass number":"222.06743"},{"Metabolite":"Cysteamine","KEGG":"C01678","mass number":"77.029921"},{"Metabolite":"Cystine","KEGG":"C00491","mass number":"240.023852"},{"Metabolite":"Cytidine","KEGG":"C00475","mass number":"243.085522"},{"Metabolite":"Cytosine","KEGG":"C00380","mass number":"111.043262"},{"Metabolite":"Desthiobiotin","KEGG":"C01909","mass number":"214.131743"},{"Metabolite":"Diethanolamine","KEGG":"C06772","mass number":"105.078979"},{"Metabolite":"Dihydrouracil","KEGG":"C00429","mass number":"114.042928"},{"Metabolite":"DOPA","KEGG":"C00355","mass number":"197.068809"},{"Metabolite":"Dopamine","KEGG":"C03758","mass number":"153.078979"},{"Metabolite":"Ectoine","KEGG":"C06231","mass number":"142.074228"},{"Metabolite":"Epinephrine","KEGG":"C00788","mass number":"183.089544"},{"Metabolite":"Ethanolamine phosphate","KEGG":"C00346","mass number":"141.019097"},{"Metabolite":"GABA","KEGG":"C00334","mass number":"103.063329"},{"Metabolite":"gamma-Butyrobetaine","KEGG":"C01181","mass number":"146.118104"},{"Metabolite":"gamma-Glu-cys","KEGG":"C00669","mass number":"250.062345"},{"Metabolite":"gamma-Guanidinobutyrate","KEGG":"C01035","mass number":"145.085127"},{"Metabolite":"Gln","KEGG":"C00064","mass number":"146.069143"},{"Metabolite":"Glu","KEGG":"C00025","mass number":"147.053159"},{"Metabolite":"Glucosaminate","KEGG":"C03752","mass number":"195.074289"},{"Metabolite":"Glucosamine","KEGG":"C00329","mass number":"179.079374"},{"Metabolite":"Glu-Glu","KEGG":"C01425","mass number":"276.095753"},{"Metabolite":"Glutathione(ox)","KEGG":"C00127","mass number":"612.151968"},{"Metabolite":"Glutathione(red)","KEGG":"C00051","mass number":"307.083809"},{"Metabolite":"Gly","KEGG":"C00037","mass number":"75.032029"},{"Metabolite":"Glycerophosphorylcholine","KEGG":"C00670","mass number":"258.110652"},{"Metabolite":"Gly-Gly","KEGG":"C02037","mass number":"132.053493"},{"Metabolite":"Gly-Leu","KEGG":"C02155","mass number":"188.116093"},{"Metabolite":"Gramine","KEGG":"C08304","mass number":"174.115698"},{"Metabolite":"Guanidinoacetate","KEGG":"C00581","mass number":"117.053827"},{"Metabolite":"Guanidinosuccinate","KEGG":"C03139","mass number":"175.059307"},{"Metabolite":"Guanine","KEGG":"C00242","mass number":"151.04941"},{"Metabolite":"Guanosine","KEGG":"C00387","mass number":"283.09167"},{"Metabolite":"Harman","KEGG":"C09209","mass number":"182.084398"},{"Metabolite":"Hexylamine","KEGG":"C08306","mass number":"101.120449"},{"Metabolite":"His","KEGG":"C00135","mass number":"155.069477"},{"Metabolite":"Histamine","KEGG":"C00388","mass number":"111.079647"},{"Metabolite":"Histidinol","KEGG":"C00860","mass number":"141.090212"},{"Metabolite":"Homocarnosine","KEGG":"C00884","mass number":"240.122241"},{"Metabolite":"Homocysteine","KEGG":"C00155","mass number":"135.035401"},{"Metabolite":"Homocystine","KEGG":"C01817","mass number":"268.055152"},{"Metabolite":"Homoserine","KEGG":"C00263","mass number":"119.058244"},{"Metabolite":"Hydroxyproline","KEGG":"C01015","mass number":"131.058244"},{"Metabolite":"Hydroxyurea","KEGG":"C07044","mass number":"76.027278"},{"Metabolite":"Hypotaurine","KEGG":"C00519","mass number":"109.019751"},{"Metabolite":"Hypoxanthine","KEGG":"C00262","mass number":"136.038511"},{"Metabolite":"Ibotenate","KEGG":"C10600","mass number":"158.032758"},{"Metabolite":"Ile","KEGG":"C00407","mass number":"131.094629"},{"Metabolite":"Imidazole-4-acetate","KEGG":"C02835","mass number":"126.042928"},{"Metabolite":"Indole-3-acetaldehyde","KEGG":"C00637","mass number":"159.068414"},{"Metabolite":"Indole-3-acetamide","KEGG":"C02693","mass number":"174.079313"},{"Metabolite":"Indole-3-acetate","KEGG":"C00954","mass number":"175.063329"},{"Metabolite":"Indole-3-ethanol","KEGG":"C00955","mass number":"161.084064"},{"Metabolite":"Inosine","KEGG":"C00294","mass number":"268.080771"},{"Metabolite":"Isoamylamine","KEGG":"C02640","mass number":"87.104799"},{"Metabolite":"Isobutylamine","KEGG":"C02787","mass number":"73.089149"},{"Metabolite":"Isonicotinamide","KEGG":"C02421","mass number":"122.048013"},{"Metabolite":"Isopropanolamine","KEGG":"C05771","mass number":"75.068414"},{"Metabolite":"Kynurenine","KEGG":"C00328","mass number":"208.084793"},{"Metabolite":"Leu","KEGG":"C00123","mass number":"131.094629"},{"Metabolite":"Leu-Leu-Tyr","KEGG":"C11331","mass number":"407.242022"},{"Metabolite":"Lys","KEGG":"C00047","mass number":"146.105528"},{"Metabolite":"Lysinamide","KEGG":"C01930","mass number":"145.121512"},{"Metabolite":"Mannosamine","KEGG":"C03570","mass number":"179.079374"},{"Metabolite":"Melamine","KEGG":"C08737","mass number":"126.065394"},{"Metabolite":"Melatonin","KEGG":"C01598","mass number":"232.121178"},{"Metabolite":"Met","KEGG":"C00073","mass number":"149.051051"},{"Metabolite":"Metformin","KEGG":"C07151","mass number":"129.101445"},{"Metabolite":"Methionine sulfoxide","KEGG":"C02989","mass number":"165.045966"},{"Metabolite":"Methionine sulfoximine","KEGG":"C03510","mass number":"180.056865"},{"Metabolite":"Methylguanidine","KEGG":"C02294","mass number":"73.063997"},{"Metabolite":"Muramate","KEGG":"C06470","mass number":"251.100504"},{"Metabolite":"Muscimol","KEGG":"C08311","mass number":"114.042928"},{"Metabolite":"N,N-Dimethylglycine","KEGG":"C01026","mass number":"103.063329"},{"Metabolite":"N1,N12-Diacetylspermine","KEGG":"C03413","mass number":"286.236876"},{"Metabolite":"N1-Acetylspermidine","KEGG":"C00612","mass number":"187.168462"},{"Metabolite":"N1-Acetylspermine","KEGG":"C02567","mass number":"244.226311"},{"Metabolite":"N6,N6,N6-Trimethyllysine","KEGG":"C03793","mass number":"188.152478"},{"Metabolite":"N6-Methyl-2'-deoxyadenosine","KEGG":"C03795","mass number":"265.11749"},{"Metabolite":"N8-Acetylspermidine","KEGG":"C01029","mass number":"187.168462"},{"Metabolite":"N-Acetylglucosamine","KEGG":"C00140","mass number":"221.089939"},{"Metabolite":"N-Acetylglucosylamine","KEGG":"C01239","mass number":"220.105923"},{"Metabolite":"N-Acetylhistidine","KEGG":"C02997","mass number":"197.080042"},{"Metabolite":"N-Acetylornithine","KEGG":"C00437","mass number":"174.100443"},{"Metabolite":"N-Acetylputrescine","KEGG":"C02714","mass number":"130.110613"},{"Metabolite":"N-alpha,N-alpha-Dimethylhistidine","KEGG":"C04259","mass number":"183.100777"},{"Metabolite":"N-alpha-Benzenolarginine ethylester","KEGG":"C01670","mass number":"306.169191"},{"Metabolite":"N-epsilon-Acetyllysine","KEGG":"C02727","mass number":"188.116093"},{"Metabolite":"N-gamma-Ethylglutamine","KEGG":"C01047","mass number":"174.100443"},{"Metabolite":"Nicotinamide","KEGG":"C00153","mass number":"122.048013"},{"Metabolite":"Nicotine","KEGG":"C00745","mass number":"162.115698"},{"Metabolite":"N-Methylalanine","KEGG":"C02721","mass number":"103.063329"},{"Metabolite":"N-Methylaniline","KEGG":"C02299","mass number":"107.073499"},{"Metabolite":"N-Methylglutamate","KEGG":"C01046","mass number":"161.068809"},{"Metabolite":"NMN","KEGG":"C00455","mass number":"334.056606"},{"Metabolite":"N-omega-Methyltryptamine","KEGG":"C06213","mass number":"174.115698"},{"Metabolite":"Noradrenaline","KEGG":"C00547","mass number":"169.073894"},{"Metabolite":"Nornicotine","KEGG":"C06524","mass number":"148.100048"},{"Metabolite":"o-Acetylcarnitine","KEGG":"C02571","mass number":"204.123584"},{"Metabolite":"O-Acetylserine","KEGG":"C00979","mass number":"147.053159"},{"Metabolite":"Octopine","KEGG":"C04137","mass number":"246.132806"},{"Metabolite":"Octylamine","KEGG":"C01740","mass number":"129.151749"},{"Metabolite":"Ornithine","KEGG":"C00077","mass number":"132.089878"},{"Metabolite":"o-Succinylhomoserine","KEGG":"C01118","mass number":"219.074289"},{"Metabolite":"p-Aminobenzoate","KEGG":"C00568","mass number":"137.047679"},{"Metabolite":"Phe","KEGG":"C00079","mass number":"165.078979"},{"Metabolite":"Phenethylamine","KEGG":"C05332","mass number":"121.089149"},{"Metabolite":"Phenylethanolamine","KEGG":"C02735","mass number":"137.084064"},{"Metabolite":"Phosphorylcholine","KEGG":"C00588","mass number":"184.073872"},{"Metabolite":"Picolinamide","KEGG":"C01950","mass number":"122.048013"},{"Metabolite":"Pipecolate","KEGG":"C00408","mass number":"129.078979"},{"Metabolite":"Pro","KEGG":"C00148","mass number":"115.063329"},{"Metabolite":"Proline betaine","KEGG":"C10172","mass number":"143.094629"},{"Metabolite":"Pseudopelletierine","KEGG":"C10865","mass number":"153.115364"},{"Metabolite":"Pterin","KEGG":"C00715","mass number":"163.04941"},{"Metabolite":"Purine","KEGG":"C15587","mass number":"120.043596"},{"Metabolite":"Purine riboside","KEGG":"C01736","mass number":"252.085856"},{"Metabolite":"Putrescine(1,4-Butanediamine)","KEGG":"C00134","mass number":"88.100048"},{"Metabolite":"Pyrazole","KEGG":"C00481","mass number":"68.037448"},{"Metabolite":"Pyridoxal","KEGG":"C00250","mass number":"167.058244"},{"Metabolite":"Pyridoxamine","KEGG":"C00534","mass number":"168.089878"},{"Metabolite":"Pyridoxamine 5'-phosphate","KEGG":"C00647","mass number":"248.056211"},{"Metabolite":"Pyridoxine","KEGG":"C00314","mass number":"169.073894"},{"Metabolite":"Riboflavin","KEGG":"C00255","mass number":"376.138286"},{"Metabolite":"Saccharopine","KEGG":"C00449","mass number":"276.132138"},{"Metabolite":"SAH","KEGG":"C00021","mass number":"384.121591"},{"Metabolite":"SAM+","KEGG":"C00019","mass number":"399.145066"},{"Metabolite":"Sarcosine","KEGG":"C00213","mass number":"89.047679"},{"Metabolite":"Sepiapterin","KEGG":"C00835","mass number":"237.08619"},{"Metabolite":"Ser","KEGG":"C00065","mass number":"105.042594"},{"Metabolite":"Serotonin","KEGG":"C00780","mass number":"176.094963"},{"Metabolite":"S-Lactoylglutathione","KEGG":"C03451","mass number":"379.104939"},{"Metabolite":"S-Methylmethionine","KEGG":"C03172","mass number":"164.074526"},{"Metabolite":"Spermidine","KEGG":"C00315","mass number":"145.157897"},{"Metabolite":"Spermine","KEGG":"C00750","mass number":"202.215746"},{"Metabolite":"Synephrine","KEGG":"C04548","mass number":"167.094629"},{"Metabolite":"Taurine","KEGG":"C00245","mass number":"125.014666"},{"Metabolite":"Taurocyamine","KEGG":"C01959","mass number":"167.036464"},{"Metabolite":"Tetrahydropalmatine","KEGG":"C02890","mass number":"355.178359"},{"Metabolite":"Thiamine","KEGG":"C00378","mass number":"265.112308"},{"Metabolite":"Thiamine monophosphate","KEGG":"C01081","mass number":"345.078641"},{"Metabolite":"Thr","KEGG":"C00188","mass number":"119.058244"},{"Metabolite":"Thymidine","KEGG":"C00214","mass number":"242.090273"},{"Metabolite":"Thymine","KEGG":"C00178","mass number":"126.042928"},{"Metabolite":"trans-Zeatin","KEGG":"C00371","mass number":"219.11201"},{"Metabolite":"TRH","KEGG":"C03958","mass number":"362.170254"},{"Metabolite":"Trientine","KEGG":"C07166","mass number":"146.153146"},{"Metabolite":"Trigonelline","KEGG":"C01004","mass number":"137.047679"},{"Metabolite":"Trimethylamine","KEGG":"C00565","mass number":"59.073499"},{"Metabolite":"Trimethylamine N-oxide","KEGG":"C01104","mass number":"75.068414"},{"Metabolite":"Trimethylsulfonium","KEGG":"C01008","mass number":"77.042497"},{"Metabolite":"Tropine","KEGG":"C00729","mass number":"141.115364"},{"Metabolite":"Tropinone","KEGG":"C00783","mass number":"139.099714"},{"Metabolite":"Trp","KEGG":"C00078","mass number":"204.089878"},{"Metabolite":"Tryptamine","KEGG":"C00398","mass number":"160.100048"},{"Metabolite":"Tyr","KEGG":"C00082","mass number":"181.073894"},{"Metabolite":"Tyramine","KEGG":"C00483","mass number":"137.084064"},{"Metabolite":"Uracil","KEGG":"C00106","mass number":"112.027278"},{"Metabolite":"Urea","KEGG":"C00086","mass number":"60.032363"},{"Metabolite":"Uridine","KEGG":"C00299","mass number":"244.069538"},{"Metabolite":"Urocanate","KEGG":"C00785","mass number":"138.042928"},{"Metabolite":"Val","KEGG":"C00183","mass number":"117.078979"},{"Metabolite":"Xanthine","KEGG":"C00385","mass number":"152.033426"},{"Metabolite":"Xanthosine","KEGG":"C01762","mass number":"284.075686"},{"Metabolite":"1-Amino-1-cyclopentanecarboxylate","KEGG":"C03969","mass number":"129.078979"},{"Metabolite":"1-Aminocyclopropane-1-carboxylate","KEGG":"C01234","mass number":"101.047679"},{"Metabolite":"1-Methyl-2-pyrrolidinone","KEGG":"C11118","mass number":"99.068414"},{"Metabolite":"1-Methyladenosine","KEGG":"C02494","mass number":"281.112405"},{"Metabolite":"1-Methylhistamine","KEGG":"C05127","mass number":"125.095297"},{"Metabolite":"1-Methylnicotinamide","KEGG":"C02918","mass number":"137.071488"},{"Metabolite":"1,3-Diaminopropane","KEGG":"C00986","mass number":"74.084398"},{"Metabolite":"2,3-Diaminopropionate","KEGG":"C06393","mass number":"104.058578"},{"Metabolite":"2,4-Diaminobutyrate","KEGG":"C03283","mass number":"118.074228"},{"Metabolite":"2,4-Dimethylaniline","KEGG":"C11003","mass number":"121.089149"},{"Metabolite":"2AB","KEGG":"C02356","mass number":"103.063329"},{"Metabolite":"2-Aminobenzimidazole","KEGG":"C10901","mass number":"133.063997"},{"Metabolite":"2-Aminophenol","KEGG":"C01987","mass number":"109.052764"},{"Metabolite":"2'-Deoxycytidine","KEGG":"C00881","mass number":"227.090607"},{"Metabolite":"2'-Deoxyguanosine","KEGG":"C00330","mass number":"267.096755"},{"Metabolite":"2'-Deoxyinosine","KEGG":"C05512","mass number":"252.085856"},{"Metabolite":"2-Deoxystreptamine","KEGG":"C02627","mass number":"162.100443"},{"Metabolite":"2-Guanidinobenzimidazole","KEGG":"C10898","mass number":"175.085795"},{"Metabolite":"3,3',5-Triiodothyronine","KEGG":"C02465","mass number":"650.790065"},{"Metabolite":"3,5-Diiodo-tyrosine","KEGG":"C01060","mass number":"432.867198"},{"Metabolite":"3-Aminoisobutyrate","KEGG":"C05145","mass number":"103.063329"},{"Metabolite":"3-Aminopropane-1,2-diol","KEGG":"C06057","mass number":"91.063329"},{"Metabolite":"3-Aminopropionitrile","KEGG":"C05670","mass number":"70.053098"},{"Metabolite":"3-Chloroalanine","KEGG":"C02635","mass number":"123.008707"},{"Metabolite":"3-Hydroxyanthranilate","KEGG":"C00632","mass number":"153.042594"},{"Metabolite":"3-Hydroxykynurenine","KEGG":"C02794","mass number":"224.079708"},{"Metabolite":"3-Iodotyrosine","KEGG":"C02515","mass number":"306.970546"},{"Metabolite":"3-Methoxytyramine","KEGG":"C05587","mass number":"167.094629"},{"Metabolite":"3-Methyladenine","KEGG":"C00913","mass number":"149.070145"},{"Metabolite":"3-Methylguanine","KEGG":"C02230","mass number":"165.06506"},{"Metabolite":"3-Methylhistidine","KEGG":"C01152","mass number":"169.085127"},{"Metabolite":"4-(beta-Acetylaminoethyl)imidazole","KEGG":"C05135","mass number":"153.090212"},{"Metabolite":"4-Amino-3-hydroxybutyrate","KEGG":"C03678","mass number":"119.058244"},{"Metabolite":"4-Aminosalicylate","KEGG":"C02518","mass number":"153.042594"},{"Metabolite":"4-Hydroxymethylimidazole","KEGG":"C05562","mass number":"98.048013"},{"Metabolite":"4-Methyl-5-thiazoleethanol","KEGG":"C04294","mass number":"143.040486"},{"Metabolite":"5,6-Dimethylbenzimidazole","KEGG":"C03114","mass number":"146.084398"},{"Metabolite":"5-Aminolevulinate","KEGG":"C00430","mass number":"131.058244"},{"Metabolite":"5-Aminovalerate","KEGG":"C00431","mass number":"117.078979"},{"Metabolite":"5'-Deoxyadenosine","KEGG":"C05198","mass number":"251.10184"},{"Metabolite":"5-Hydroxyindoleacetate","KEGG":"C05635","mass number":"191.058244"},{"Metabolite":"5-Hydroxylysine","KEGG":"C16741","mass number":"162.100443"},{"Metabolite":"5-Hydroxytryptophan","KEGG":"C00643","mass number":"220.084793"},{"Metabolite":"5-Methoxyindoleacetate","KEGG":"C05660","mass number":"205.073894"},{"Metabolite":"5-Methoxytryptamine","KEGG":"C05659","mass number":"190.110613"},{"Metabolite":"5-Methyl-2'-deoxycytidine","KEGG":"C03592","mass number":"241.106257"},{"Metabolite":"5-Methylcytosine","KEGG":"C02376","mass number":"125.058912"},{"Metabolite":"5-Methyltetrahydrofolate","KEGG":"C00440","mass number":"459.186633"},{"Metabolite":"5-Methylthioadenosine","KEGG":"C00170","mass number":"297.089562"},{"Metabolite":"5-Oxoproline","KEGG":"C01879","mass number":"129.042594"},{"Metabolite":"6-Aminohexanoate","KEGG":"C02378","mass number":"131.094629"},{"Metabolite":"6-Hydroxynicotinate","KEGG":"C01020","mass number":"139.026944"},{"Metabolite":"6-Methylaminopurine","KEGG":"C08434","mass number":"149.070145"},{"Metabolite":"7,8-Dihydrobiopterin","KEGG":"C02953","mass number":"239.10184"},{"Metabolite":"7,8-Dihydroneopterin","KEGG":"C04874","mass number":"255.096755"},{"Metabolite":"7-Methylguanine","KEGG":"C02242","mass number":"165.06506"}]
}

}