{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002479","ANALYSIS_ID":"AN004080","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":"COSMO(+), i.d.50 μm(anion)","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":"NEGATIVE","MS_COMMENTS":"In-house software (MasterHands) was used for peak area integration and annotation."},

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

"Data":[{"Metabolite":"Acetyl CoA","1":"107","2":"161","3":"222","4":"256","5":"229","6":"227","7":"230","8":"200","9":"166","10":"223","11":"125","12":"240","13":"207","14":"230","15":"241","16":"245","17":"179","18":"120","19":"124","20":"184"},{"Metabolite":"Adenosine 3',5'-diphosphate","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":"Adenosine 5'-phosphosulfate","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":"Adenylosuccinate","1":"27","2":"28","3":"N.D.","4":"19","5":"N.D.","6":"17","7":"12","8":"14","9":"19","10":"27","11":"26","12":"36","13":"46","14":"26","15":"37","16":"44","17":"26","18":"35","19":"15","20":"23"},{"Metabolite":"Adipate","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":"ADP","1":"112","2":"138","3":"140","4":"190","5":"250","6":"161","7":"156","8":"105","9":"106","10":"157","11":"127","12":"179","13":"128","14":"156","15":"147","16":"155","17":"119","18":"99","19":"75","20":"79"},{"Metabolite":"ADP-glucose","1":"18","2":"16","3":"18","4":"22","5":"26","6":"20","7":"11","8":"18","9":"18","10":"15","11":"20","12":"20","13":"16","14":"17","15":"12","16":"21","17":"12","18":"13","19":"16","20":"23"},{"Metabolite":"ADP-ribose","1":"N.D.","2":"31","3":"28","4":"37","5":"111","6":"34","7":"36","8":"N.D.","9":"30","10":"23","11":"21","12":"33","13":"30","14":"28","15":"52","16":"24","17":"28","18":"24","19":"30","20":"30"},{"Metabolite":"Allantoate","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":"AMP","1":"436","2":"612","3":"507","4":"536","5":"708","6":"482","7":"385","8":"294","9":"326","10":"333","11":"367","12":"325","13":"308","14":"324","15":"268","16":"343","17":"379","18":"332","19":"262","20":"319"},{"Metabolite":"ATP","1":"19","2":"14","3":"28","4":"32","5":"20","6":"16","7":"29","8":"34","9":"23","10":"49","11":"26","12":"45","13":"37","14":"37","15":"33","16":"37","17":"21","18":"18","19":"15","20":"17"},{"Metabolite":"Azelate","1":"1027","2":"322","3":"1095","4":"1133","5":"1212","6":"1283","7":"367","8":"732","9":"672","10":"867","11":"851","12":"976","13":"811","14":"909","15":"1282","16":"1039","17":"1039","18":"1074","19":"865","20":"899"},{"Metabolite":"Barbiturate","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":"Benzoate","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":"Benzoylformate","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":"Benzylsuccinate","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":"Biotin","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":"Butyrate","1":"51539","2":"47368","3":"44070","4":"52798","5":"52204","6":"65604","7":"66818","8":"58159","9":"51579","10":"58360","11":"53026","12":"49403","13":"59963","14":"46951","15":"39250","16":"41644","17":"53325","18":"42240","19":"58943","20":"57714"},{"Metabolite":"cAMP","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":"Carbamoylaspartate","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":"Carbamoylphosphate","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":"CDP","1":"9","2":"N.D.","3":"13","4":"12","5":"9","6":"16","7":"12","8":"11","9":"N.D.","10":"14","11":"14","12":"10","13":"13","14":"15","15":"11","16":"11","17":"10","18":"N.D.","19":"10","20":"10"},{"Metabolite":"CDP-choline","1":"N.D.","2":"N.D.","3":"22","4":"29","5":"31","6":"23","7":"24","8":"N.D.","9":"N.D.","10":"20","11":"N.D.","12":"N.D.","13":"N.D.","14":"22","15":"N.D.","16":"27","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"cGMP","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":"Cholate","1":"347","2":"237","3":"185","4":"172","5":"207","6":"165","7":"152","8":"174","9":"270","10":"142","11":"382","12":"232","13":"280","14":"264","15":"218","16":"268","17":"222","18":"470","19":"412","20":"262"},{"Metabolite":"cIMP","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":"cis-Aconitate","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":"Citraconate","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":"Citramalate","1":"N.D.","2":"N.D.","3":"26","4":"30","5":"40","6":"25","7":"26","8":"34","9":"36","10":"27","11":"46","12":"32","13":"34","14":"39","15":"28","16":"14","17":"20","18":"11","19":"27","20":"32"},{"Metabolite":"Citrate","1":"64","2":"53","3":"85","4":"90","5":"107","6":"49","7":"61","8":"45","9":"44","10":"61","11":"85","12":"68","13":"60","14":"99","15":"47","16":"84","17":"43","18":"42","19":"52","20":"56"},{"Metabolite":"CMP","1":"105","2":"92","3":"80","4":"78","5":"84","6":"70","7":"62","8":"61","9":"67","10":"68","11":"82","12":"95","13":"92","14":"83","15":"81","16":"96","17":"101","18":"111","19":"77","20":"66"},{"Metabolite":"CMP-N-acetylneuraminate","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":"CoA","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":"Crotonate","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":"CTP","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":"Cysteate","1":"33","2":"42","3":"38","4":"43","5":"42","6":"38","7":"39","8":"28","9":"32","10":"29","11":"39","12":"36","13":"38","14":"30","15":"33","16":"31","17":"38","18":"38","19":"N.D.","20":"35"},{"Metabolite":"Cysteine S-sulfate","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":"Cysteine sulfinate","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":"Cysteine-glutathione disulphide","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":"dADP","1":"N.D.","2":"10","3":"9","4":"11","5":"7","6":"7","7":"N.D.","8":"6","9":"N.D.","10":"N.D.","11":"8","12":"10","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":"dAMP","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":"dATP","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":"DCA","1":"2446","2":"1208","3":"1675","4":"958","5":"1359","6":"1009","7":"1193","8":"1653","9":"2871","10":"1382","11":"2641","12":"1505","13":"2361","14":"1993","15":"1333","16":"1332","17":"1506","18":"3878","19":"2542","20":"1748"},{"Metabolite":"dCDP","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":"dCMP","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":"dCTP","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":"Deamido-NAD+","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":"12","18":"N.D.","19":"N.D.","20":"13"},{"Metabolite":"Decanoate","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":"dGTP","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":"DHAP","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":"Digalacturonate","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":"Dihydroorotate","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":"dITP","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":"Dodecanedioate","1":"72","2":"79","3":"88","4":"99","5":"98","6":"100","7":"95","8":"65","9":"65","10":"80","11":"75","12":"80","13":"82","14":"70","15":"86","16":"85","17":"86","18":"75","19":"63","20":"75"},{"Metabolite":"Dodecanoate","1":"76","2":"49","3":"78","4":"63","5":"N.D.","6":"59","7":"43","8":"58","9":"59","10":"59","11":"78","12":"58","13":"61","14":"60","15":"49","16":"67","17":"67","18":"81","19":"66","20":"60"},{"Metabolite":"dTDP","1":"N.D.","2":"29","3":"33","4":"24","5":"36","6":"31","7":"N.D.","8":"31","9":"23","10":"32","11":"28","12":"28","13":"19","14":"35","15":"22","16":"31","17":"N.D.","18":"15","19":"15","20":"22"},{"Metabolite":"dTMP","1":"86","2":"54","3":"49","4":"51","5":"46","6":"56","7":"52","8":"38","9":"52","10":"49","11":"69","12":"57","13":"54","14":"58","15":"33","16":"38","17":"57","18":"79","19":"58","20":"49"},{"Metabolite":"dTTP","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":"dUDP","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":"dUMP","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":"dUTP","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":"F1,6P","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":"F6P","1":"226","2":"262","3":"294","4":"299","5":"340","6":"271","7":"255","8":"267","9":"222","10":"263","11":"244","12":"236","13":"253","14":"246","15":"232","16":"241","17":"236","18":"136","19":"177","20":"203"},{"Metabolite":"FAD","1":"84","2":"108","3":"116","4":"117","5":"134","6":"130","7":"103","8":"98","9":"100","10":"104","11":"94","12":"94","13":"94","14":"110","15":"93","16":"108","17":"105","18":"92","19":"70","20":"87"},{"Metabolite":"Folate","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":"Fumarate","1":"136","2":"83","3":"58","4":"88","5":"N.D.","6":"108","7":"87","8":"89","9":"183","10":"120","11":"88","12":"259","13":"263","14":"166","15":"223","16":"180","17":"181","18":"96","19":"169","20":"111"},{"Metabolite":"G1P","1":"113","2":"178","3":"135","4":"182","5":"212","6":"132","7":"191","8":"170","9":"98","10":"181","11":"141","12":"134","13":"144","14":"123","15":"107","16":"114","17":"139","18":"103","19":"114","20":"131"},{"Metabolite":"G3P","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":"G6P","1":"1171","2":"1449","3":"1400","4":"1544","5":"1864","6":"1341","7":"1322","8":"1147","9":"1093","10":"1263","11":"1454","12":"1305","13":"1121","14":"1183","15":"1053","16":"1197","17":"1149","18":"707","19":"774","20":"1086"},{"Metabolite":"Galacturonate 1-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":"gamma-Glu-2AB","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":"GDP","1":"N.D.","2":"N.D.","3":"N.D.","4":"27","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":"GDP-mannose","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":"Gluconate","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 6-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":"Glucuronate","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":"Glutarate","1":"682","2":"612","3":"794","4":"1028","5":"820","6":"855","7":"855","8":"980","9":"1278","10":"1074","11":"697","12":"810","13":"1125","14":"893","15":"1107","16":"577","17":"943","18":"591","19":"1055","20":"838"},{"Metabolite":"Glycerate","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":"Glycerophosphate","1":"473","2":"449","3":"743","4":"698","5":"814","6":"541","7":"511","8":"413","9":"418","10":"436","11":"363","12":"422","13":"407","14":"404","15":"363","16":"449","17":"421","18":"390","19":"386","20":"431"},{"Metabolite":"Glycocholate","1":"50","2":"52","3":"54","4":"100","5":"44","6":"62","7":"92","8":"127","9":"132","10":"85","11":"54","12":"154","13":"75","14":"74","15":"86","16":"82","17":"63","18":"47","19":"102","20":"73"},{"Metabolite":"Glycolate","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":"869","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":"Glyoxylate","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":"GMP","1":"29","2":"35","3":"38","4":"47","5":"48","6":"36","7":"24","8":"29","9":"30","10":"26","11":"37","12":"26","13":"34","14":"36","15":"27","16":"38","17":"43","18":"27","19":"30","20":"24"},{"Metabolite":"GTP","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":"Heptanoate","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":"29","12":"N.D.","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"N.D.","18":"22","19":"N.D.","20":"N.D."},{"Metabolite":"Hexanoate","1":"663","2":"204","3":"204","4":"244","5":"148","6":"272","7":"304","8":"146","9":"109","10":"103","11":"1787","12":"632","13":"1143","14":"1145","15":"97","16":"297","17":"224","18":"980","19":"1054","20":"628"},{"Metabolite":"Hippurate","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":"Homovanillate","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":"IDP","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":"IMP","1":"43","2":"37","3":"48","4":"35","5":"46","6":"54","7":"48","8":"33","9":"68","10":"N.D.","11":"48","12":"83","13":"69","14":"53","15":"70","16":"54","17":"67","18":"37","19":"39","20":"51"},{"Metabolite":"Indolelactate","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":"Isethionate","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":"Isobutyryl CoA","1":"164","2":"179","3":"239","4":"301","5":"279","6":"314","7":"288","8":"206","9":"186","10":"215","11":"195","12":"259","13":"227","14":"286","15":"149","16":"265","17":"231","18":"194","19":"136","20":"164"},{"Metabolite":"Isocitrate","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":"Itaconate","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":"ITP","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":"Lactate","1":"500","2":"561","3":"1216","4":"1980","5":"1472","6":"497","7":"930","8":"472","9":"1108","10":"1147","11":"383","12":"853","13":"542","14":"528","15":"1021","16":"780","17":"547","18":"472","19":"1438","20":"962"},{"Metabolite":"Malate","1":"1872","2":"1374","3":"944","4":"1092","5":"968","6":"1232","7":"997","8":"1106","9":"1861","10":"1207","11":"1243","12":"2796","13":"2556","14":"1728","15":"2154","16":"2090","17":"2116","18":"1356","19":"1698","20":"1776"},{"Metabolite":"Malonate","1":"60","2":"70","3":"61","4":"75","5":"81","6":"77","7":"N.D.","8":"59","9":"N.D.","10":"58","11":"90","12":"61","13":"98","14":"66","15":"N.D.","16":"56","17":"60","18":"52","19":"62","20":"98"},{"Metabolite":"Malonyl CoA","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":"Methanesulfonate","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":"Methyl sulfate","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":"(Methylthio)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":"m-Hydroxybenzoate","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":"Mucate","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":"N1,N8-Diacetylspermidine","1":"11","2":"8","3":"9","4":"7","5":"5","6":"8","7":"8","8":"7","9":"7","10":"4","11":"16","12":"8","13":"9","14":"9","15":"8","16":"10","17":"6","18":"12","19":"10","20":"8"},{"Metabolite":"N-Acetylaspartate","1":"237","2":"251","3":"202","4":"251","5":"260","6":"230","7":"176","8":"148","9":"145","10":"130","11":"219","12":"161","13":"216","14":"233","15":"187","16":"257","17":"191","18":"270","19":"135","20":"123"},{"Metabolite":"N-Acetyl-beta-alanine","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-Acetylglucosamine 1-phosphate","1":"209","2":"212","3":"254","4":"326","5":"351","6":"263","7":"252","8":"235","9":"166","10":"216","11":"181","12":"210","13":"215","14":"249","15":"192","16":"217","17":"258","18":"215","19":"187","20":"221"},{"Metabolite":"N-Acetylglucosamine 6-phosphate","1":"52","2":"44","3":"50","4":"55","5":"68","6":"55","7":"57","8":"45","9":"54","10":"81","11":"53","12":"73","13":"61","14":"54","15":"51","16":"52","17":"47","18":"36","19":"55","20":"62"},{"Metabolite":"N-Acetylglutamate","1":"524","2":"601","3":"460","4":"587","5":"496","6":"527","7":"392","8":"407","9":"470","10":"437","11":"495","12":"578","13":"515","14":"539","15":"514","16":"533","17":"513","18":"545","19":"429","20":"544"},{"Metabolite":"N-Acetylleucine","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-Acetylmethionine","1":"33","2":"39","3":"N.D.","4":"28","5":"30","6":"24","7":"23","8":"26","9":"N.D.","10":"N.D.","11":"24","12":"30","13":"N.D.","14":"N.D.","15":"N.D.","16":"21","17":"27","18":"36","19":"N.D.","20":"N.D."},{"Metabolite":"N-Acetylmuramate","1":"34","2":"29","3":"34","4":"23","5":"20","6":"26","7":"13","8":"17","9":"17","10":"19","11":"27","12":"13","13":"26","14":"29","15":"27","16":"36","17":"29","18":"32","19":"25","20":"22"},{"Metabolite":"N-Acetylneuraminate","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-Acetylphenylalanine","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-Acetylvaline","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":"NAD+","1":"930","2":"1206","3":"1501","4":"1619","5":"1130","6":"1529","7":"1378","8":"1208","9":"1141","10":"1278","11":"1080","12":"1381","13":"1331","14":"1534","15":"1416","16":"1630","17":"1342","18":"603","19":"944","20":"1020"},{"Metabolite":"NADH","1":"23","2":"18","3":"34","4":"31","5":"29","6":"28","7":"N.D.","8":"N.D.","9":"N.D.","10":"27","11":"N.D.","12":"N.D.","13":"N.D.","14":"25","15":"16","16":"14","17":"19","18":"N.D.","19":"19","20":"N.D."},{"Metabolite":"NADP+","1":"39","2":"54","3":"53","4":"65","5":"50","6":"46","7":"45","8":"43","9":"31","10":"54","11":"45","12":"57","13":"43","14":"68","15":"49","16":"62","17":"45","18":"35","19":"22","20":"30"},{"Metabolite":"NADPH","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-Butyl a-Picolinate","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-Carbamylglutamate","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-Formylaspartate","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-Formylmethionine","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":"Nicotinate","1":"160","2":"471","3":"200","4":"158","5":"646","6":"141","7":"154","8":"N.D.","9":"136","10":"N.D.","11":"131","12":"143","13":"N.D.","14":"180","15":"N.D.","16":"N.D.","17":"169","18":"817","19":"174","20":"259"},{"Metabolite":"o-Coumarate","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":"Octanoate","1":"N.D.","2":"15","3":"N.D.","4":"N.D.","5":"N.D.","6":"N.D.","7":"12","8":"N.D.","9":"15","10":"N.D.","11":"N.D.","12":"N.D.","13":"21","14":"N.D.","15":"N.D.","16":"N.D.","17":"20","18":"19","19":"N.D.","20":"N.D."},{"Metabolite":"o-Hydroxybenzoate","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-Hydroxyhippurate","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-Phosphoserine","1":"119","2":"92","3":"117","4":"129","5":"129","6":"104","7":"66","8":"70","9":"59","10":"137","11":"130","12":"144","13":"135","14":"105","15":"117","16":"101","17":"114","18":"130","19":"45","20":"89"},{"Metabolite":"Ophthalmate","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":"Orotate","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":"Orotidine 5'-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":"P1, P4-Di(adenosine-5') tetraphosphate","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":"Pantothenate","1":"24","2":"32","3":"20","4":"21","5":"30","6":"26","7":"29","8":"28","9":"36","10":"24","11":"14","12":"N.D.","13":"21","14":"16","15":"25","16":"26","17":"20","18":"40","19":"N.D.","20":"27"},{"Metabolite":"p-Coumarate","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":"Pelargonate","1":"51","2":"32","3":"N.D.","4":"38","5":"31","6":"N.D.","7":"N.D.","8":"N.D.","9":"N.D.","10":"N.D.","11":"45","12":"46","13":"N.D.","14":"N.D.","15":"N.D.","16":"N.D.","17":"32","18":"N.D.","19":"N.D.","20":"40"},{"Metabolite":"Pentanoate","1":"3042","2":"2095","3":"1969","4":"2124","5":"2007","6":"2203","7":"2352","8":"2509","9":"2482","10":"2596","11":"3956","12":"2518","13":"3858","14":"3001","15":"1878","16":"1847","17":"2239","18":"3511","19":"3598","20":"2722"},{"Metabolite":"PEP","1":"121","2":"68","3":"78","4":"64","5":"80","6":"40","7":"46","8":"57","9":"48","10":"112","11":"175","12":"146","13":"120","14":"157","15":"109","16":"113","17":"82","18":"74","19":"55","20":"58"},{"Metabolite":"Phenaceturate","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":"Phenyl 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":"Phenylpyruvate","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":"Phe-Phe","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":"Phosphonoacetate","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":"Phthalate","1":"7","2":"7","3":"7","4":"6","5":"7","6":"4","7":"4","8":"4","9":"N.D.","10":"5","11":"N.D.","12":"8","13":"N.D.","14":"5","15":"8","16":"6","17":"7","18":"6","19":"4","20":"5"},{"Metabolite":"p-Hydroxybenzoate","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-Hydroxyphenylacetate","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":"Pimelate","1":"55","2":"70","3":"83","4":"94","5":"84","6":"113","7":"83","8":"58","9":"67","10":"74","11":"52","12":"73","13":"68","14":"83","15":"89","16":"81","17":"70","18":"77","19":"57","20":"70"},{"Metabolite":"Porphobilinogen","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":"Propionate","1":"44823","2":"36580","3":"34732","4":"34078","5":"29362","6":"35794","7":"38259","8":"36535","9":"46498","10":"44645","11":"37705","12":"45691","13":"50189","14":"33655","15":"44638","16":"34948","17":"36335","18":"36205","19":"53759","20":"48295"},{"Metabolite":"Prostaglandin E2","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":"Prostaglandin F2alpha","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":"PRPP","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":"Pyrrole-2-carboxylate","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":"Pyruvate","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":"Quinate","1":"60","2":"51","3":"88","4":"86","5":"39","6":"81","7":"80","8":"70","9":"65","10":"68","11":"58","12":"44","13":"68","14":"85","15":"56","16":"61","17":"70","18":"35","19":"35","20":"48"},{"Metabolite":"R5P","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":"Ribulose 1,5-diphosphate","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":"Ru5P","1":"158","2":"259","3":"292","4":"402","5":"544","6":"306","7":"293","8":"183","9":"169","10":"184","11":"129","12":"182","13":"147","14":"207","15":"141","16":"147","17":"179","18":"137","19":"120","20":"221"},{"Metabolite":"S7P","1":"237","2":"361","3":"320","4":"333","5":"514","6":"243","7":"264","8":"270","9":"281","10":"372","11":"240","12":"295","13":"262","14":"263","15":"224","16":"236","17":"269","18":"195","19":"179","20":"232"},{"Metabolite":"Saccharate","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":"SDMA","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":"Sebacate","1":"64","2":"77","3":"76","4":"73","5":"81","6":"82","7":"70","8":"51","9":"63","10":"67","11":"57","12":"72","13":"66","14":"67","15":"86","16":"67","17":"66","18":"72","19":"58","20":"58"},{"Metabolite":"Serine O-sulfate","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":"Shikimate","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":"Sinapate","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":"Sorbitol 6-phosphate","1":"N.D.","2":"N.D.","3":"N.D.","4":"N.D.","5":"108","6":"35","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":"37","16":"N.D.","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"Succinate","1":"2307","2":"1797","3":"1831","4":"1632","5":"1485","6":"1360","7":"1147","8":"1159","9":"1737","10":"1575","11":"1589","12":"2089","13":"1805","14":"1659","15":"1588","16":"1564","17":"1733","18":"1946","19":"1687","20":"1713"},{"Metabolite":"Succinyl CoA","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":"Syringate","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":"Tartrate","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":"Taurocholate","1":"7","2":"9","3":"9","4":"21","5":"11","6":"14","7":"49","8":"26","9":"26","10":"46","11":"N.D.","12":"30","13":"10","14":"9","15":"16","16":"8","17":"10","18":"N.D.","19":"13","20":"12"},{"Metabolite":"TDP-glucose","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":"Terephthalate","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":"threo-beta-methylaspartate","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":"Threonate","1":"167","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":"Tiglate","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-4-Hydroxy-3-methoxycinnamate","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-Aconitate","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-Cinnamate","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":"Trehalose 6-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":"35.00563224","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":"34.79986499"},{"Metabolite":"UDP","1":"57.52757819","2":"68.86361547","3":"64.34432865","4":"77.42011712","5":"79.78301597","6":"75.57082984","7":"57.17419551","8":"53.21103251","9":"63.70095938","10":"77.007724","11":"57.85021621","12":"79.10310545","13":"60.99924849","14":"63.47605869","15":"42.36483791","16":"58.51627875","17":"49.96618951","18":"41.19389923","19":"39.09735559","20":"41.01531251"},{"Metabolite":"UDP-glucose","1":"84.46581271","2":"113.1669539","3":"137.4368685","4":"141.584168","5":"123.6160498","6":"123.9025788","7":"128.0592115","8":"131.5061335","9":"156.1389853","10":"139.6009117","11":"131.5856619","12":"159.8918843","13":"151.6866032","14":"170.1107336","15":"143.7368362","16":"140.38105","17":"156.8695137","18":"62.37954652","19":"111.9169121","20":"108.5150734"},{"Metabolite":"UDP-glucuronate","1":"19.05967113","2":"16.65213656","3":"19.08509224","4":"20.99382271","5":"21.51571302","6":"18.70374085","7":"13.08761536","8":"12.66430931","9":"16.93617752","10":"23.02244235","11":"15.34034259","12":"23.17924971","13":"18.57631491","14":"18.93687957","15":"12.07303393","16":"25.83662986","17":"21.31279395","18":"13.341314","19":"13.81590529","20":"19.63207315"},{"Metabolite":"UDP-N-acetylglucosamine","1":"208.0392248","2":"212.6812012","3":"260.0026231","4":"289.4380096","5":"284.7755001","6":"220.2168547","7":"230.9661838","8":"237.4892883","9":"265.4735391","10":"225.6605635","11":"262.1353758","12":"289.8534488","13":"254.3535743","14":"299.8730217","15":"248.5385251","16":"284.5224584","17":"239.0592013","18":"170.3531872","19":"216.1020038","20":"216.2748217"},{"Metabolite":"UMP","1":"330.9238718","2":"382.1467732","3":"294.85299","4":"355.9732997","5":"323.2662845","6":"313.5865907","7":"284.3943029","8":"226.5976369","9":"337.4832353","10":"240.0033299","11":"298.9722901","12":"373.5569354","13":"360.1752443","14":"307.1078082","15":"279.2643202","16":"348.0417732","17":"422.5193708","18":"323.7878585","19":"313.8220817","20":"354.0984483"},{"Metabolite":"Undecanoate","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":"Urate","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":"UTP","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":"Xanthopterin","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":"Xanthurenate","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":"XMP","1":"26.87009543","2":"19.40957142","3":"17.19708278","4":"20.53362248","5":"25.66253852","6":"24.33535539","7":"19.15707851","8":"14.32499681","9":"N.D.","10":"15.65057339","11":"N.D.","12":"N.D.","13":"33.84043672","14":"21.50517642","15":"17.91235295","16":"26.24111311","17":"23.96803692","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"XTP","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-Aminoethylphosphonate","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',3'-cCMP","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":"2,3-DPG","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":"2,3-Pyridinedicarboxylate","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-Dihydroxypyrimidine-5-carboxylate","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":"2,5-Dihydroxybenzoate","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-Amino-3-phosphonopropionate","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-Aminoethylphosphonate","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-Deoxyglucose 6-phosphate","1":"N.D.","2":"N.D.","3":"N.D.","4":"91.34038509","5":"N.D.","6":"91.67102007","7":"N.D.","8":"113.1159361","9":"N.D.","10":"87.5143681","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-Deoxyribose 1-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":"2-Furoate","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-Hydroxy-4-methylpentanoate","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-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":"2-Hydroxyglutarate","1":"299.9317252","2":"274.9425557","3":"296.0479771","4":"292.3992288","5":"269.4381269","6":"300.4667512","7":"215.8307639","8":"183.9044762","9":"274.1470848","10":"224.6005084","11":"265.8097594","12":"317.3791596","13":"329.8657514","14":"305.7676104","15":"281.7785953","16":"339.0708205","17":"313.8461168","18":"292.6190112","19":"219.3407806","20":"286.5019616"},{"Metabolite":"2-Hydroxyisobutyrate","1":"N.D.","2":"N.D.","3":"N.D.","4":"34.21826838","5":"33.56355328","6":"N.D.","7":"20.2846982","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":"24.28843748"},{"Metabolite":"2-Hydroxyoctanoate","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-Hydroxypentanoate","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-Hydroxyphenylacetate","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-Isopropylmalate","1":"24.79030782","2":"23.6066915","3":"24.13848817","4":"23.4733275","5":"27.26838469","6":"12.47231292","7":"17.71180044","8":"24.16810498","9":"28.01847741","10":"23.82370524","11":"39.66721134","12":"35.59816489","13":"36.44661096","14":"29.32432431","15":"26.27459332","16":"19.56057204","17":"23.76910385","18":"14.88364445","19":"28.89117907","20":"21.87299922"},{"Metabolite":"2-Oxoadipate","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-Oxobutyrate","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-Oxoglutarate","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-Oxoisopentanoate","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-Oxooctanoate","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":"2PG","1":"37.51253864","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":"32.78871516","15":"N.D.","16":"53.74025142","17":"N.D.","18":"N.D.","19":"N.D.","20":"N.D."},{"Metabolite":"2-Quinolinecarboxylate","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-Thiopheneacetate","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-(2-Hydroxyphenyl)propionate","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-(4-Hydroxyphenyl)propionate","1":"228.9767553","2":"294.4550435","3":"269.0939327","4":"381.0746934","5":"339.5742563","6":"327.6761231","7":"414.4843394","8":"315.3154147","9":"302.5927112","10":"414.0072983","11":"222.1144875","12":"260.3559033","13":"307.8976864","14":"204.0913626","15":"306.9025845","16":"136.4431599","17":"203.9741837","18":"194.0501279","19":"394.1355255","20":"274.6766159"},{"Metabolite":"3',5'-Cyclic dAMP","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'-AMP","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-Hydroxy-3-methylglutarate","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-Hydroxybutyrate","1":"N.D.","2":"N.D.","3":"N.D.","4":"267.9446969","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-Hydroxypropionate","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-Indolebutyrate","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-Indoxyl sulfate","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-Methylbutanoate","1":"661.923673","2":"313.8190029","3":"245.1090787","4":"332.3381058","5":"379.1490852","6":"410.3176978","7":"301.812029","8":"421.1399746","9":"472.2506025","10":"501.3992237","11":"792.9934322","12":"445.4969509","13":"490.1090608","14":"453.3784793","15":"315.7618613","16":"343.1564985","17":"502.9983961","18":"731.5793758","19":"789.638869","20":"426.7443918"},{"Metabolite":"3PG","1":"138.5878051","2":"103.9013278","3":"142.4056041","4":"149.0961483","5":"184.8598431","6":"83.96942538","7":"110.941347","8":"127.8668543","9":"94.17906521","10":"215.1264207","11":"233.3271716","12":"200.5863845","13":"191.9489843","14":"188.8085239","15":"146.752773","16":"170.3315181","17":"139.236304","18":"125.2537171","19":"83.27436011","20":"98.87110999"},{"Metabolite":"3-Phenyllactate","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-Phenylpropionate","1":"662.1730091","2":"855.524626","3":"731.6017549","4":"802.3049953","5":"931.3669675","6":"940.2927112","7":"932.0115699","8":"878.9872402","9":"786.4007607","10":"892.4842006","11":"615.6235609","12":"885.9053478","13":"770.7088183","14":"604.1972113","15":"832.0515502","16":"748.3383826","17":"680.1867562","18":"546.5451665","19":"810.3532606","20":"823.1134014"},{"Metabolite":"3-Ureidopropionate","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-Acetylbutyrate","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-Hydroxy-3-methoxymandelate","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-Hydroxymandelate","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-Methyl-2-oxopentanoate","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-Methylthio-2-oxobutyrate","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-Oxohexanoate","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-Oxopentanoate","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-Pyridoxate","1":"35.92911682","2":"15.26141977","3":"19.35992775","4":"20.29864879","5":"20.6235707","6":"24.72274087","7":"18.05718215","8":"35.30279521","9":"36.28134294","10":"20.37344029","11":"32.34775744","12":"20.72681914","13":"N.D.","14":"14.70987027","15":"31.0767069","16":"N.D.","17":"15.09454735","18":"34.85290193","19":"46.36914126","20":"29.70201334"},{"Metabolite":"6-Hydroxyhexanoate","1":"98.38698671","2":"123.1460824","3":"123.8616631","4":"118.3904439","5":"120.5844396","6":"139.5209318","7":"126.0833643","8":"101.4530832","9":"104.7064317","10":"154.6779923","11":"89.87821982","12":"140.823073","13":"120.1265556","14":"135.5302402","15":"145.3712411","16":"101.2042942","17":"121.2120009","18":"93.43815724","19":"88.97246315","20":"62.30246633"},{"Metabolite":"6-Phosphogluconate","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":"10-Hydroxydecanoate","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":"Acetyl CoA","KEGG":"C00024","mass number":"809.125784"},{"Metabolite":"Adenosine 3',5'-diphosphate","KEGG":"C00054","mass number":"427.029421"},{"Metabolite":"Adenosine 5'-phosphosulfate","KEGG":"C00224","mass number":"427.019905"},{"Metabolite":"Adenylosuccinate","KEGG":"C03794","mass number":"463.074048"},{"Metabolite":"Adipate","KEGG":"C06104","mass number":"146.05791"},{"Metabolite":"ADP","KEGG":"C00008","mass number":"427.029421"},{"Metabolite":"ADP-glucose","KEGG":"C00498","mass number":"589.082246"},{"Metabolite":"ADP-ribose","KEGG":"C00301","mass number":"559.071681"},{"Metabolite":"Allantoate","KEGG":"C00499","mass number":"176.054556"},{"Metabolite":"AMP","KEGG":"C00020","mass number":"347.063088"},{"Metabolite":"ATP","KEGG":"C00002","mass number":"506.995754"},{"Metabolite":"Azelate","KEGG":"C08261","mass number":"188.10486"},{"Metabolite":"Barbiturate","KEGG":"C00813","mass number":"128.022193"},{"Metabolite":"Benzoate","KEGG":"C00180","mass number":"122.03678"},{"Metabolite":"Benzoylformate","KEGG":"C02137","mass number":"150.031695"},{"Metabolite":"Benzylsuccinate","KEGG":"C09816","mass number":"208.07356"},{"Metabolite":"Biotin","KEGG":"C00120","mass number":"244.088165"},{"Metabolite":"Butyrate","KEGG":"C00246","mass number":"88.05243"},{"Metabolite":"cAMP","KEGG":"C00575","mass number":"329.052523"},{"Metabolite":"Carbamoylaspartate","KEGG":"C00438","mass number":"176.043323"},{"Metabolite":"Carbamoylphosphate","KEGG":"C00169","mass number":"140.982712"},{"Metabolite":"CDP","KEGG":"C00112","mass number":"403.018188"},{"Metabolite":"CDP-choline","KEGG":"C00307","mass number":"488.107337"},{"Metabolite":"cGMP","KEGG":"C00942","mass number":"345.047438"},{"Metabolite":"Cholate","KEGG":"C00695","mass number":"408.287575"},{"Metabolite":"cIMP","KEGG":"C00943","mass number":"330.036539"},{"Metabolite":"cis-Aconitate","KEGG":"C00417","mass number":"174.01644"},{"Metabolite":"Citraconate","KEGG":"C02226","mass number":"130.02661"},{"Metabolite":"Citramalate","KEGG":"C02614","mass number":"148.037175"},{"Metabolite":"Citrate","KEGG":"C00158","mass number":"192.027005"},{"Metabolite":"CMP","KEGG":"C00055","mass number":"323.051855"},{"Metabolite":"CMP-N-acetylneuraminate","KEGG":"C00128","mass number":"614.147274"},{"Metabolite":"CoA","KEGG":"C00010","mass number":"767.115219"},{"Metabolite":"Crotonate","KEGG":"C01771","mass number":"86.03678"},{"Metabolite":"CTP","KEGG":"C00063","mass number":"482.984521"},{"Metabolite":"Cysteate","KEGG":"C00506","mass number":"169.004496"},{"Metabolite":"Cysteine S-sulfate","KEGG":"C05824","mass number":"200.976568"},{"Metabolite":"Cysteine sulfinate","KEGG":"C00606","mass number":"153.009581"},{"Metabolite":"Cysteine-glutathione disulphide","KEGG":"-","mass number":"104.047345"},{"Metabolite":"dADP","KEGG":"C00206","mass number":"411.034506"},{"Metabolite":"dAMP","KEGG":"C00360","mass number":"331.068173"},{"Metabolite":"dATP","KEGG":"C00131","mass number":"491.000839"},{"Metabolite":"DCA","KEGG":"C04483","mass number":"392.29266"},{"Metabolite":"dCDP","KEGG":"C00705","mass number":"387.023273"},{"Metabolite":"dCMP","KEGG":"C00239","mass number":"307.05694"},{"Metabolite":"dCTP","KEGG":"C00458","mass number":"466.989606"},{"Metabolite":"Deamido-NAD+","KEGG":"C00857","mass number":"664.093145"},{"Metabolite":"Decanoate","KEGG":"C01571","mass number":"172.14633"},{"Metabolite":"dGTP","KEGG":"C00286","mass number":"506.995754"},{"Metabolite":"DHAP","KEGG":"C00111","mass number":"169.998028"},{"Metabolite":"Digalacturonate","KEGG":"C02273","mass number":"370.074745"},{"Metabolite":"Dihydroorotate","KEGG":"C00337","mass number":"158.032758"},{"Metabolite":"dITP","KEGG":"C01345","mass number":"491.984855"},{"Metabolite":"Dodecanedioate","KEGG":"C02678","mass number":"230.15181"},{"Metabolite":"Dodecanoate","KEGG":"C02679","mass number":"200.17763"},{"Metabolite":"dTDP","KEGG":"C00363","mass number":"402.022939"},{"Metabolite":"dTMP","KEGG":"C00364","mass number":"322.056606"},{"Metabolite":"dTTP","KEGG":"C00459","mass number":"481.989272"},{"Metabolite":"dUDP","KEGG":"C01346","mass number":"388.007289"},{"Metabolite":"dUMP","KEGG":"C00365","mass number":"308.040956"},{"Metabolite":"dUTP","KEGG":"C00460","mass number":"467.973622"},{"Metabolite":"F1,6P","KEGG":"C00354","mass number":"339.996056"},{"Metabolite":"F6P","KEGG":"C00085","mass number":"260.029723"},{"Metabolite":"FAD","KEGG":"C00016","mass number":"785.157142"},{"Metabolite":"Folate","KEGG":"C00504","mass number":"441.139683"},{"Metabolite":"Fumarate","KEGG":"C00122","mass number":"116.01096"},{"Metabolite":"G1P","KEGG":"C00103","mass number":"260.029723"},{"Metabolite":"G3P","KEGG":"C00661","mass number":"169.998028"},{"Metabolite":"G6P","KEGG":"C00092","mass number":"260.029723"},{"Metabolite":"Galacturonate 1-phosphate","KEGG":"C04037","mass number":"274.008988"},{"Metabolite":"gamma-Glu-2AB","KEGG":"-","mass number":"104.047345"},{"Metabolite":"GDP","KEGG":"C00035","mass number":"443.024336"},{"Metabolite":"GDP-mannose","KEGG":"C00096","mass number":"605.077161"},{"Metabolite":"Gluconate","KEGG":"C00257","mass number":"196.058305"},{"Metabolite":"Glucosamine 6-phosphate","KEGG":"C00352","mass number":"259.045707"},{"Metabolite":"Glucuronate","KEGG":"C00191","mass number":"194.042655"},{"Metabolite":"Glutarate","KEGG":"C00489","mass number":"132.04226"},{"Metabolite":"Glycerate","KEGG":"C00258","mass number":"106.02661"},{"Metabolite":"Glycerophosphate","KEGG":"C00093","mass number":"172.013678"},{"Metabolite":"Glycocholate","KEGG":"C01921","mass number":"465.309039"},{"Metabolite":"Glycolate","KEGG":"C00160","mass number":"76.016045"},{"Metabolite":"Glyoxylate","KEGG":"C00048","mass number":"74.000395"},{"Metabolite":"GMP","KEGG":"C00144","mass number":"363.058003"},{"Metabolite":"GTP","KEGG":"C00044","mass number":"522.990669"},{"Metabolite":"Heptanoate","KEGG":"C17714","mass number":"130.09938"},{"Metabolite":"Hexanoate","KEGG":"C01585","mass number":"116.08373"},{"Metabolite":"Hippurate","KEGG":"C01586","mass number":"179.058244"},{"Metabolite":"Homovanillate","KEGG":"C05582","mass number":"182.05791"},{"Metabolite":"IDP","KEGG":"C00104","mass number":"428.013437"},{"Metabolite":"IMP","KEGG":"C00130","mass number":"348.047104"},{"Metabolite":"Indolelactate","KEGG":"C02043","mass number":"205.073894"},{"Metabolite":"Isethionate","KEGG":"C05123","mass number":"125.998682"},{"Metabolite":"Isobutyryl CoA","KEGG":"C00630","mass number":"837.157084"},{"Metabolite":"Isocitrate","KEGG":"C00311","mass number":"192.027005"},{"Metabolite":"Itaconate","KEGG":"C00490","mass number":"130.02661"},{"Metabolite":"ITP","KEGG":"C00081","mass number":"507.97977"},{"Metabolite":"Lactate","KEGG":"C00186","mass number":"90.031695"},{"Metabolite":"Malate","KEGG":"C00711","mass number":"134.021525"},{"Metabolite":"Malonate","KEGG":"C00383","mass number":"104.01096"},{"Metabolite":"Malonyl CoA","KEGG":"C00083","mass number":"853.115614"},{"Metabolite":"Methanesulfonate","KEGG":"C11145","mass number":"95.988117"},{"Metabolite":"Methyl sulfate","KEGG":"C02704","mass number":"111.983032"},{"Metabolite":"(Methylthio)acetate","KEGG":"C03173","mass number":"106.008852"},{"Metabolite":"m-Hydroxybenzoate","KEGG":"C00587","mass number":"138.031695"},{"Metabolite":"Mucate","KEGG":"C00879","mass number":"210.03757"},{"Metabolite":"N1,N8-Diacetylspermidine","KEGG":"-","mass number":"104.047345"},{"Metabolite":"N-Acetylaspartate","KEGG":"C01042","mass number":"175.048074"},{"Metabolite":"N-Acetyl-beta-alanine","KEGG":"C01073","mass number":"131.058244"},{"Metabolite":"N-Acetylglucosamine 1-phosphate","KEGG":"C04501","mass number":"301.056272"},{"Metabolite":"N-Acetylglucosamine 6-phosphate","KEGG":"C00357","mass number":"301.056272"},{"Metabolite":"N-Acetylglutamate","KEGG":"C00624","mass number":"189.063724"},{"Metabolite":"N-Acetylleucine","KEGG":"C02710","mass number":"173.105194"},{"Metabolite":"N-Acetylmethionine","KEGG":"C02712","mass number":"191.061616"},{"Metabolite":"N-Acetylmuramate","KEGG":"C02713","mass number":"293.111069"},{"Metabolite":"N-Acetylneuraminate","KEGG":"C00270","mass number":"309.105984"},{"Metabolite":"N-Acetylphenylalanine","KEGG":"C03519","mass number":"207.089544"},{"Metabolite":"N-Acetylvaline","KEGG":"-","mass number":"104.047345"},{"Metabolite":"NAD+","KEGG":"C00003","mass number":"663.109129"},{"Metabolite":"NADH","KEGG":"C00004","mass number":"665.124779"},{"Metabolite":"NADP+","KEGG":"C00006","mass number":"743.075462"},{"Metabolite":"NADPH","KEGG":"C00005","mass number":"745.091112"},{"Metabolite":"n-Butyl a-Picolinate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"N-Carbamylglutamate","KEGG":"C05829","mass number":"190.058973"},{"Metabolite":"N-Formylaspartate","KEGG":"C01044","mass number":"161.032424"},{"Metabolite":"N-Formylmethionine","KEGG":"C03145","mass number":"177.045966"},{"Metabolite":"Nicotinate","KEGG":"C00253","mass number":"123.032029"},{"Metabolite":"o-Coumarate","KEGG":"C01772","mass number":"164.047345"},{"Metabolite":"Octanoate","KEGG":"C06423","mass number":"144.11503"},{"Metabolite":"o-Hydroxybenzoate","KEGG":"C00805","mass number":"138.031695"},{"Metabolite":"o-Hydroxyhippurate","KEGG":"C07588","mass number":"195.053159"},{"Metabolite":"O-Phosphoserine","KEGG":"C01005","mass number":"185.008927"},{"Metabolite":"Ophthalmate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"Orotate","KEGG":"C00295","mass number":"156.017108"},{"Metabolite":"Orotidine 5'-monophosphate","KEGG":"C01103","mass number":"368.025701"},{"Metabolite":"P1, P4-Di(adenosine-5') tetraphosphate","KEGG":"C01260","mass number":"836.048277"},{"Metabolite":"Pantothenate","KEGG":"C00864","mass number":"219.110674"},{"Metabolite":"p-Coumarate","KEGG":"C00811","mass number":"164.047345"},{"Metabolite":"Pelargonate","KEGG":"C01601","mass number":"158.13068"},{"Metabolite":"Pentanoate","KEGG":"C00803","mass number":"102.06808"},{"Metabolite":"PEP","KEGG":"C00074","mass number":"167.982378"},{"Metabolite":"Phenaceturate","KEGG":"C05598","mass number":"193.073894"},{"Metabolite":"Phenyl phosphate","KEGG":"C02734","mass number":"174.008198"},{"Metabolite":"Phenylpyruvate","KEGG":"C00166","mass number":"164.047345"},{"Metabolite":"Phe-Phe","KEGG":"-","mass number":"104.047345"},{"Metabolite":"Phosphonoacetate","KEGG":"C05682","mass number":"139.987463"},{"Metabolite":"Phthalate","KEGG":"C01606","mass number":"166.02661"},{"Metabolite":"p-Hydroxybenzoate","KEGG":"C00156","mass number":"138.031695"},{"Metabolite":"p-Hydroxyphenylacetate","KEGG":"C00642","mass number":"152.047345"},{"Metabolite":"Pimelate","KEGG":"C02656","mass number":"160.07356"},{"Metabolite":"Porphobilinogen","KEGG":"C00931","mass number":"226.095358"},{"Metabolite":"Propionate","KEGG":"C00163","mass number":"74.03678"},{"Metabolite":"Prostaglandin E2","KEGG":"C00584","mass number":"352.224975"},{"Metabolite":"Prostaglandin F2alpha","KEGG":"C00639","mass number":"354.240625"},{"Metabolite":"PRPP","KEGG":"C00119","mass number":"389.951824"},{"Metabolite":"Pyrrole-2-carboxylate","KEGG":"C05942","mass number":"111.032029"},{"Metabolite":"Pyruvate","KEGG":"C00022","mass number":"88.016045"},{"Metabolite":"Quinate","KEGG":"C00296","mass number":"192.06339"},{"Metabolite":"R5P","KEGG":"C00117","mass number":"230.019158"},{"Metabolite":"Ribulose 1,5-diphosphate","KEGG":"C01182","mass number":"309.985491"},{"Metabolite":"Ru5P","KEGG":"C00199","mass number":"230.019158"},{"Metabolite":"S7P","KEGG":"C05382","mass number":"290.040288"},{"Metabolite":"Saccharate","KEGG":"C00818","mass number":"210.03757"},{"Metabolite":"SDMA","KEGG":"-","mass number":"104.047345"},{"Metabolite":"Sebacate","KEGG":"C08277","mass number":"202.12051"},{"Metabolite":"Serine O-sulfate","KEGG":"C02703","mass number":"184.999411"},{"Metabolite":"Shikimate","KEGG":"C00493","mass number":"174.052825"},{"Metabolite":"Sinapate","KEGG":"C00482","mass number":"224.068475"},{"Metabolite":"Sorbitol 6-phosphate","KEGG":"C01096","mass number":"262.045373"},{"Metabolite":"Succinate","KEGG":"C00042","mass number":"118.02661"},{"Metabolite":"Succinyl CoA","KEGG":"C00091","mass number":"867.131264"},{"Metabolite":"Syringate","KEGG":"C10833","mass number":"198.052825"},{"Metabolite":"Tartrate","KEGG":"C00898","mass number":"150.01644"},{"Metabolite":"Taurocholate","KEGG":"C05122","mass number":"515.291676"},{"Metabolite":"TDP-glucose","KEGG":"C00842","mass number":"564.075764"},{"Metabolite":"Terephthalate","KEGG":"C06337","mass number":"166.02661"},{"Metabolite":"threo-beta-methylaspartate","KEGG":"C03618","mass number":"147.053159"},{"Metabolite":"Threonate","KEGG":"C01620","mass number":"136.037175"},{"Metabolite":"Tiglate","KEGG":"C08279","mass number":"100.05243"},{"Metabolite":"trans-4-Hydroxy-3-methoxycinnamate","KEGG":"C01494","mass number":"194.05791"},{"Metabolite":"trans-Aconitate","KEGG":"C02341","mass number":"174.01644"},{"Metabolite":"trans-Cinnamate","KEGG":"C00423","mass number":"148.05243"},{"Metabolite":"Trehalose 6-phosphate","KEGG":"C00689","mass number":"422.082548"},{"Metabolite":"UDP","KEGG":"C00015","mass number":"404.002204"},{"Metabolite":"UDP-glucose","KEGG":"C00029","mass number":"566.055029"},{"Metabolite":"UDP-glucuronate","KEGG":"C00167","mass number":"580.034294"},{"Metabolite":"UDP-N-acetylglucosamine","KEGG":"C00043","mass number":"607.081578"},{"Metabolite":"UMP","KEGG":"C00105","mass number":"324.035871"},{"Metabolite":"Undecanoate","KEGG":"C17715","mass number":"186.16198"},{"Metabolite":"Urate","KEGG":"C00366","mass number":"168.028341"},{"Metabolite":"UTP","KEGG":"C00075","mass number":"483.968537"},{"Metabolite":"Xanthopterin","KEGG":"-","mass number":"104.047345"},{"Metabolite":"Xanthurenate","KEGG":"C02470","mass number":"205.037509"},{"Metabolite":"XMP","KEGG":"C00655","mass number":"364.042019"},{"Metabolite":"XTP","KEGG":"C00700","mass number":"523.974685"},{"Metabolite":"1-Aminoethylphosphonate","KEGG":"C03782","mass number":"125.024182"},{"Metabolite":"2',3'-cCMP","KEGG":"C02354","mass number":"305.04129"},{"Metabolite":"2,3-DPG","KEGG":"C01159","mass number":"265.959276"},{"Metabolite":"2,3-Pyridinedicarboxylate","KEGG":"C03722","mass number":"167.021859"},{"Metabolite":"2,4-Dihydroxypyrimidine-5-carboxylate","KEGG":"C03030","mass number":"156.017108"},{"Metabolite":"2,5-Dihydroxybenzoate","KEGG":"C00628","mass number":"154.02661"},{"Metabolite":"2-Amino-3-phosphonopropionate","KEGG":"C05672","mass number":"169.014012"},{"Metabolite":"2-Aminoethylphosphonate","KEGG":"C03557","mass number":"125.024182"},{"Metabolite":"2-Deoxyglucose 6-phosphate","KEGG":"C06369","mass number":"244.034808"},{"Metabolite":"2-Deoxyribose 1-phosphate","KEGG":"C00672","mass number":"214.024243"},{"Metabolite":"2-Furoate","KEGG":"C01546","mass number":"112.016045"},{"Metabolite":"2-Hydroxy-4-methylpentanoate","KEGG":"C03264","mass number":"132.078645"},{"Metabolite":"2-Hydroxybutyrate","KEGG":"C05984","mass number":"104.047345"},{"Metabolite":"2-Hydroxyglutarate","KEGG":"C02630","mass number":"148.037175"},{"Metabolite":"2-Hydroxyisobutyrate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"2-Hydroxyoctanoate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"2-Hydroxypentanoate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"2-Hydroxyphenylacetate","KEGG":"C05852","mass number":"152.047345"},{"Metabolite":"2-Isopropylmalate","KEGG":"C02504","mass number":"176.068475"},{"Metabolite":"2-Oxoadipate","KEGG":"C00322","mass number":"160.037175"},{"Metabolite":"2-Oxobutyrate","KEGG":"C00109","mass number":"102.031695"},{"Metabolite":"2-Oxoglutarate","KEGG":"C00026","mass number":"146.021525"},{"Metabolite":"2-Oxoisopentanoate","KEGG":"C00141","mass number":"116.047345"},{"Metabolite":"2-Oxooctanoate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"2PG","KEGG":"C00631","mass number":"185.992943"},{"Metabolite":"2-Quinolinecarboxylate","KEGG":"C06325","mass number":"173.047679"},{"Metabolite":"2-Thiopheneacetate","KEGG":"C02595","mass number":"142.008852"},{"Metabolite":"3-(2-Hydroxyphenyl)propionate","KEGG":"C01198","mass number":"166.062995"},{"Metabolite":"3-(4-Hydroxyphenyl)propionate","KEGG":"C01744","mass number":"166.062995"},{"Metabolite":"3',5'-Cyclic dAMP","KEGG":"C00968","mass number":"313.057608"},{"Metabolite":"3'-AMP","KEGG":"C01367","mass number":"347.063088"},{"Metabolite":"3-Hydroxy-3-methylglutarate","KEGG":"C03761","mass number":"162.052825"},{"Metabolite":"3-Hydroxybutyrate","KEGG":"C01089","mass number":"104.047345"},{"Metabolite":"3-Hydroxypropionate","KEGG":"C01013","mass number":"90.031695"},{"Metabolite":"3-Indolebutyrate","KEGG":"C11284","mass number":"203.094629"},{"Metabolite":"3-Indoxyl sulfate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"3-Methylbutanoate","KEGG":"C08262","mass number":"102.06808"},{"Metabolite":"3PG","KEGG":"C00197","mass number":"185.992943"},{"Metabolite":"3-Phenyllactate","KEGG":"C05607","mass number":"166.062995"},{"Metabolite":"3-Phenylpropionate","KEGG":"C05629","mass number":"150.06808"},{"Metabolite":"3-Ureidopropionate","KEGG":"C02642","mass number":"132.053493"},{"Metabolite":"4-Acetylbutyrate","KEGG":"C02129","mass number":"130.062995"},{"Metabolite":"4-Hydroxy-3-methoxymandelate","KEGG":"C05584","mass number":"198.052825"},{"Metabolite":"4-Hydroxymandelate","KEGG":"C11527","mass number":"168.04226"},{"Metabolite":"4-Methyl-2-oxopentanoate","KEGG":"C00233","mass number":"130.062995"},{"Metabolite":"4-Methylthio-2-oxobutyrate","KEGG":"C01180","mass number":"148.019417"},{"Metabolite":"4-Oxohexanoate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"4-Oxopentanoate","KEGG":"-","mass number":"104.047345"},{"Metabolite":"4-Pyridoxate","KEGG":"C00847","mass number":"183.053159"},{"Metabolite":"6-Hydroxyhexanoate","KEGG":"C06103","mass number":"132.078645"},{"Metabolite":"6-Phosphogluconate","KEGG":"C00345","mass number":"276.024638"},{"Metabolite":"10-Hydroxydecanoate","KEGG":"C02774","mass number":"188.141245"}]
}

}