{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001633","ANALYSIS_ID":"AN002669","VERSION":"1","CREATED_ON":"02-08-2024"},

"PROJECT":{"PROJECT_TITLE":"Metabolic interactions between gut microbiota and the mammalian host","PROJECT_SUMMARY":"Untargeted metabolomics performed on various host compartments under different colonization states in gnotobiotic mice.","INSTITUTE":"Stanford University","LABORATORY":"Dodd","LAST_NAME":"Pruss","FIRST_NAME":"Kali","ADDRESS":"300 Pasteur Drive, Lane 235","EMAIL":"kmpruss@stanford.edu","PHONE":"6507212961","DOI":"http://dx.doi.org/10.21228/M8F39C"},

"STUDY":{"STUDY_TITLE":"Aromatic amino acid metabolism by the anaerobic gut bacterium Clostridium sporogenes (part-II)","STUDY_SUMMARY":"Germ-free MCAD-/- mice or MCAD+/+ controls were mono-colonized with wild-type Clostridium sporogenes. Urine was collected for untargeted LC-QTOF analysis.","INSTITUTE":"Stanford University","LABORATORY":"Dodd","LAST_NAME":"Pruss","FIRST_NAME":"Kali","ADDRESS":"300 Pasteur Drive, Lane 235","EMAIL":"kmpruss@stanford.edu","PHONE":"6507212961","SUBMIT_DATE":"2020-12-11"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"13",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"13"}
},
{
"Subject ID":"-",
"Sample ID":"14",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"14"}
},
{
"Subject ID":"-",
"Sample ID":"15",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"15"}
},
{
"Subject ID":"-",
"Sample ID":"23",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"23"}
},
{
"Subject ID":"-",
"Sample ID":"24",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"24"}
},
{
"Subject ID":"-",
"Sample ID":"33",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"33"}
},
{
"Subject ID":"-",
"Sample ID":"34",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"34"}
},
{
"Subject ID":"-",
"Sample ID":"35",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"35"}
},
{
"Subject ID":"-",
"Sample ID":"36",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"36"}
},
{
"Subject ID":"-",
"Sample ID":"37",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"37"}
},
{
"Subject ID":"-",
"Sample ID":"38",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"38"}
},
{
"Subject ID":"-",
"Sample ID":"39",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"39"}
},
{
"Subject ID":"-",
"Sample ID":"10",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"10"}
},
{
"Subject ID":"-",
"Sample ID":"11",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"11"}
},
{
"Subject ID":"-",
"Sample ID":"12",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"12"}
},
{
"Subject ID":"-",
"Sample ID":"16",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"16"}
},
{
"Subject ID":"-",
"Sample ID":"17",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"17"}
},
{
"Subject ID":"-",
"Sample ID":"18",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"18"}
},
{
"Subject ID":"-",
"Sample ID":"19",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"19"}
},
{
"Subject ID":"-",
"Sample ID":"20",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"20"}
},
{
"Subject ID":"-",
"Sample ID":"21",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"21"}
},
{
"Subject ID":"-",
"Sample ID":"22",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"22"}
},
{
"Subject ID":"-",
"Sample ID":"9",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"Cs"},
"Additional sample data":{"RAW_FILE_NAME":"9"}
},
{
"Subject ID":"-",
"Sample ID":"43",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"43"}
},
{
"Subject ID":"-",
"Sample ID":"44",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"44"}
},
{
"Subject ID":"-",
"Sample ID":"45",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"45"}
},
{
"Subject ID":"-",
"Sample ID":"46",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"46"}
},
{
"Subject ID":"-",
"Sample ID":"47",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"47"}
},
{
"Subject ID":"-",
"Sample ID":"48",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"48"}
},
{
"Subject ID":"-",
"Sample ID":"49",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"49"}
},
{
"Subject ID":"-",
"Sample ID":"5",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"5"}
},
{
"Subject ID":"-",
"Sample ID":"50",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"50"}
},
{
"Subject ID":"-",
"Sample ID":"51",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"51"}
},
{
"Subject ID":"-",
"Sample ID":"52",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"52"}
},
{
"Subject ID":"-",
"Sample ID":"6",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"6"}
},
{
"Subject ID":"-",
"Sample ID":"7",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"7"}
},
{
"Subject ID":"-",
"Sample ID":"8",
"Factors":{"Mouse_Genotype":"MCAD-/-","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"8"}
},
{
"Subject ID":"-",
"Sample ID":"1",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"1"}
},
{
"Subject ID":"-",
"Sample ID":"2",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"2"}
},
{
"Subject ID":"-",
"Sample ID":"25",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"25"}
},
{
"Subject ID":"-",
"Sample ID":"26",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"26"}
},
{
"Subject ID":"-",
"Sample ID":"27",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"27"}
},
{
"Subject ID":"-",
"Sample ID":"28",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"28"}
},
{
"Subject ID":"-",
"Sample ID":"29",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"29"}
},
{
"Subject ID":"-",
"Sample ID":"3",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"3"}
},
{
"Subject ID":"-",
"Sample ID":"30",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"30"}
},
{
"Subject ID":"-",
"Sample ID":"31",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"31"}
},
{
"Subject ID":"-",
"Sample ID":"32",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"32"}
},
{
"Subject ID":"-",
"Sample ID":"4",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"4"}
},
{
"Subject ID":"-",
"Sample ID":"40",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"40"}
},
{
"Subject ID":"-",
"Sample ID":"41",
"Factors":{"Mouse_Genotype":"MCAD+/+","Treatment":"GF"},
"Additional sample data":{"RAW_FILE_NAME":"41"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"MCAD-/- mice were re-derived as germ-free (GF) for the purpose of this study. MCAD-/- mice or MCAD+/+ controls were maintained in sterile gnotobiotic isolators or cages with HEPA-filtered air supply. Urine from GF MCAD-/- and MCAD+/+ mice was collected under sterile conditions. Seven days subsequent, mice were mono-colonized with wild-type C. sporogenes (Cs) by gavage of 200 µL saturated overnight culture. Urine was collected one week after colonization. C. sporogenes colonization was verified with serial dilution plating. Urine samples were immediately frozen on dry ice and stored under -80 oC until analysis.","SAMPLE_TYPE":"Urine","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"MCAD-/- mice were re-derived as germ-free (GF) for the purpose of this study. MCAD-/- mice or MCAD+/+ controls were maintained in sterile gnotobiotic isolators or cages with HEPA-filtered air supply. Urine from GF MCAD-/- and MCAD+/+ mice was collected under sterile conditions. Seven days subsequent, mice were mono-colonized with wild-type C. sporogenes (Cs) by gavage of 200 µL saturated overnight culture. Urine was collected one week after colonization. C. sporogenes colonization was verified with serial dilution plating."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":". Mouse urine samples (2.5 μL) were diluted with LC-MS grade water (5 μL) and mixed with internal standard (7.5 μL, d3-creatinine,1 mM; d9-phenylpropionic acid, 0.2 mM; 2,2-d2-hippuric acid, 0.2 mM), then 60 μL of extraction solvent containing reference standards (d7-glucose, d3-methionine, L-4-hydroxyphenyl-d4-alanine, d5-hippuric acid, d5-tryptophan, d3-leucine, di-n-octyl phthalate-3,4,5,6-d4, d19-decanoic acid, d15-octanoic acid, d27-tetradecanoic acid, 2-flurophenylglycine, d9-carnitine in methanol) was added to precipitate proteins. The solution was vortexed, then the plate was centrifuged at 15,000 x g for 5 min at 4 C. Supernatant (60 μL) was transferred to a new plate and 20 μL of each was diluted with 60 μL LC-MS grade water. Three procedure blanks were included using the same preparation method with LC-MS water (2.5 μL) instead of urine sample. Quality controls (QC) were pooled from each LC-MS ready sample."},

"CHROMATOGRAPHY":{"INSTRUMENT_NAME":"Agilent 1290 Infinity II UPLC","COLUMN_NAME":"Waters BEH C18 (100 x 2.1mm,1.7um)","CHROMATOGRAPHY_TYPE":"Reversed phase"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6545XT QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","MS_COMMENTS":"Acquisition was done in All-Ions fragmentation mode using collision energies of 0, 20, and 40 eV. Suspect screening was performed with MS-DIAL (version 4.24) and MS-CleanR. Peak height was normalized with creatinine","ION_MODE":"UNSPECIFIED"},

"MS_METABOLITE_DATA":{
"Units":"Peak height normalized with creatinine",

"Data":[{"Metabolite":"1-Methyladenosine","13":"0.0400","14":"0.0500","15":"0.0700","23":"0.0700","24":"0.0500","33":"0.0600","34":"0.0900","35":"0.0400","36":"0.0600","37":"0.0800","38":"0.0700","39":"0.0700","10":"0.0500","11":"0.0700","12":"0.0600","16":"0.0500","17":"0.0300","18":"0.0600","19":"0.0400","20":"0.0700","21":"0.0500","22":"0.0700","9":"0.0700","43":"0.0500","44":"0.0400","45":"0.0600","46":"0.0600","47":"0.0800","48":"0.0900","49":"0.0500","5":"0.0600","50":"0.0600","51":"0.0600","52":"0.0600","6":"0.0600","7":"0.0600","8":"0.0400","1":"0.0500","2":"0.0400","25":"0.0500","26":"0.0500","27":"0.0600","28":"0.0800","29":"0.0700","3":"0.0500","30":"0.0600","31":"0.0600","32":"0.0500","4":"0.0500","40":"0.0600","41":"0.0600"},{"Metabolite":"2_4-Dihydroxybutanoic acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0200","34":"0.0100","35":"0.0100","36":"0.0200","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0200","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0200","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"2_6-Dihydroxybenzoic acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"","45":"0.0100","46":"","47":"0.0100","48":"","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"0.0100","27":"","28":"0.0100","29":"0.0100","3":"0.0100","30":"","31":"","32":"","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"2-Aminobutyric acid (or isomers)","13":"","14":"","15":"0.0100","23":"","24":"","33":"0.0100","34":"0.0100","35":"0.0200","36":"0.0200","37":"0.0100","38":"0.0100","39":"0.0100","10":"","11":"","12":"","16":"","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"0.0100","6":"","7":"","8":"","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"2-Hydroxy-2-methylbutanoic acid","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"","35":"0.0100","36":"0.0100","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"","44":"","45":"0.0100","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"0.0100","27":"","28":"0.0100","29":"","3":"","30":"","31":"0.0200","32":"","4":"","40":"","41":""},{"Metabolite":"2-Hydroxy-3-methylbutyric acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"0.0200","35":"0.0100","36":"","37":"","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0300","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0200","9":"0.0100","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0200","50":"","51":"","52":"","6":"0.0200","7":"0.0200","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"0.0100","30":"","31":"","32":"","4":"0.0200","40":"","41":""},{"Metabolite":"2-Hydroxybutyric Acid","13":"","14":"","15":"0.0100","23":"0.0100","24":"","33":"0.0200","34":"","35":"0.0200","36":"0.0200","37":"0.0100","38":"0.0100","39":"0.0100","10":"","11":"","12":"","16":"0.0100","17":"0.0300","18":"","19":"","20":"","21":"0.0100","22":"0.0100","9":"","43":"0.0100","44":"","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"","50":"0.0100","51":"0.0100","52":"0.0100","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"0.0100","32":"0.0100","4":"","40":"0.0100","41":"0.0100"},{"Metabolite":"2-Hydroxyethanesulfonic acid","13":"0.0600","14":"0.0600","15":"0.0600","23":"0.0700","24":"0.0500","33":"0.0800","34":"0.1300","35":"0.0600","36":"0.0600","37":"0.1000","38":"0.1000","39":"0.0900","10":"0.0500","11":"0.0900","12":"0.0600","16":"0.0800","17":"0.0600","18":"0.0800","19":"0.0600","20":"0.0900","21":"0.0700","22":"0.1200","9":"0.0900","43":"0.0800","44":"0.0900","45":"0.1800","46":"0.1900","47":"0.1200","48":"0.2500","49":"0.1100","5":"0.1400","50":"0.1200","51":"0.1200","52":"0.1000","6":"0.1600","7":"0.1200","8":"0.1300","1":"0.1000","2":"0.0700","25":"0.0900","26":"0.1000","27":"0.1300","28":"0.1200","29":"0.1100","3":"0.0900","30":"0.1500","31":"0.2400","32":"0.1000","4":"0.1400","40":"0.0900","41":"0.1600"},{"Metabolite":"2-Hydroxyphenylacetate","13":"0.0200","14":"0.0200","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0200","34":"0.0200","35":"0.0100","36":"0.0200","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0200","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0200","9":"0.0200","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0100","1":"0.0200","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0100"},{"Metabolite":"2-Ketoisovaleric acid","13":"0.0200","14":"0.0300","15":"0.0300","23":"0.0300","24":"0.0300","33":"0.0900","34":"0.0700","35":"0.0500","36":"0.0800","37":"0.1000","38":"0.0400","39":"0.0300","10":"0.0200","11":"0.0300","12":"0.0200","16":"0.1000","17":"0.0600","18":"0.0300","19":"0.0300","20":"0.0300","21":"0.0900","22":"0.0400","9":"0.0400","43":"0.0700","44":"0.0500","45":"0.0800","46":"0.0900","47":"0.0400","48":"0.1100","49":"0.0700","5":"0.0500","50":"0.1100","51":"0.0500","52":"0.0700","6":"0.0600","7":"0.0500","8":"0.0400","1":"0.0400","2":"0.0300","25":"0.0400","26":"0.0800","27":"0.0600","28":"0.0700","29":"0.0700","3":"0.0400","30":"0.0700","31":"0.0600","32":"0.0800","4":"0.0500","40":"0.0600","41":"0.0900"},{"Metabolite":"2-Methylbutyrylglycine","13":"0.0400","14":"0.0400","15":"0.0400","23":"0.0300","24":"0.0300","33":"0.0100","34":"0.0700","35":"0.0200","36":"0.0100","37":"0.0200","38":"0.0300","39":"0.0400","10":"0.0300","11":"0.0500","12":"0.0300","16":"0.0100","17":"0.0200","18":"0.0700","19":"0.0500","20":"0.0600","21":"0.0100","22":"0.0700","9":"0.0700","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0200","49":"0.0100","5":"0.0500","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0300","7":"0.0600","8":"0.0600","1":"0.0600","2":"0.0600","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0200","29":"0.0100","3":"0.0700","30":"0.0100","31":"0.0200","32":"0.0100","4":"0.1000","40":"0.0100","41":"0.0100"},{"Metabolite":"2-Methylhippuric acid","13":"0.0500","14":"0.0500","15":"0.0600","23":"0.0600","24":"0.0600","33":"0.0200","34":"0.1800","35":"0.0200","36":"0.0200","37":"0.0400","38":"0.0600","39":"0.0400","10":"0.0800","11":"0.0800","12":"0.0600","16":"0.0400","17":"0.0500","18":"0.1900","19":"0.1100","20":"0.1500","21":"0.0400","22":"0.1500","9":"0.1700","43":"0.0100","44":"0.0200","45":"0.0400","46":"0.0400","47":"0.0300","48":"0.0500","49":"0.0300","5":"0.0800","50":"0.0300","51":"0.0300","52":"0.0300","6":"0.1000","7":"0.0700","8":"0.0500","1":"0.1200","2":"0.1600","25":"0.0400","26":"0.0300","27":"0.0300","28":"0.0500","29":"0.0300","3":"0.1500","30":"0.0300","31":"0.0700","32":"0.0500","4":"0.1600","40":"0.0300","41":"0.0500"},{"Metabolite":"3_4-Dihydroxyhydrocinnamic acid","13":"0.0200","14":"0.0100","15":"0.0200","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0200","35":"0.0100","36":"0.0200","37":"0.0200","38":"0.0100","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0200","18":"0.0200","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0200","46":"0.0100","47":"0.0200","48":"0.0200","49":"0.0200","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0200","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0200","29":"0.0100","3":"0.0200","30":"0.0100","31":"0.0200","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0100"},{"Metabolite":"3-(4-Hydroxyphenyl)Lactate","13":"0.0200","14":"0.0300","15":"0.0200","23":"0.0100","24":"0.0300","33":"0.0100","34":"0.0400","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0200","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0300","19":"0.0100","20":"0.0200","21":"0.0100","22":"0.0300","9":"0.0300","43":"","44":"","45":"0.0100","46":"","47":"0.0100","48":"","49":"","5":"0.0300","50":"","51":"","52":"","6":"0.0200","7":"0.0400","8":"0.0300","1":"0.0200","2":"0.0300","25":"","26":"","27":"","28":"","29":"0.0100","3":"0.0300","30":"","31":"0.0100","32":"","4":"0.0300","40":"","41":""},{"Metabolite":"3-(4-Hydroxyphenyl)propionic acid","13":"0.0800","14":"0.1500","15":"0.2700","23":"0.1300","24":"0.0400","33":"0.1400","34":"0.1400","35":"0.2300","36":"0.2200","37":"0.2200","38":"0.1300","39":"0.2400","10":"0.0500","11":"0.0400","12":"0.0300","16":"0.0500","17":"0.1800","18":"0.0500","19":"0.0200","20":"0.0700","21":"0.1000","22":"0.0700","9":"0.0500","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"3-(4-Hydroxyphenyl)pyruvic acid","13":"0.0200","14":"0.0400","15":"0.0300","23":"0.0200","24":"0.0200","33":"0.0600","34":"0.0500","35":"0.0800","36":"0.0600","37":"0.0500","38":"0.0400","39":"0.0400","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0300","17":"0.0500","18":"0.0200","19":"0.0200","20":"0.0300","21":"0.0500","22":"0.0200","9":"0.0300","43":"0.0400","44":"0.0200","45":"0.0700","46":"0.0200","47":"0.0100","48":"0.0200","49":"0.0200","5":"0.0500","50":"0.0200","51":"0.0100","52":"0.0200","6":"0.0300","7":"0.0500","8":"0.0500","1":"0.0300","2":"0.0300","25":"0.0300","26":"0.0300","27":"0.0200","28":"0.0100","29":"0.0200","3":"0.0400","30":"0.0100","31":"0.0500","32":"0.0300","4":"0.0400","40":"0.0300","41":"0.0200"},{"Metabolite":"3_5-Dihydroxybenzoic acid","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"0.0100","35":"","36":"0.0100","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"0.0100","43":"","44":"","45":"0.0100","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"0.0100","8":"","1":"","2":"","25":"","26":"0.0100","27":"","28":"","29":"","3":"","30":"","31":"","32":"0.0100","4":"0.0100","40":"","41":""},{"Metabolite":"3-Aminosalicylic acid","13":"","14":"","15":"0.0100","23":"0.0100","24":"","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"","12":"","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"3-Hydroxy-3-Methylglutarate","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"0.0100","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0100","18":"","19":"","20":"","21":"","22":"","9":"","43":"0.0100","44":"","45":"0.0200","46":"","47":"","48":"0.0100","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"","27":"","28":"","29":"0.0100","3":"","30":"","31":"0.0200","32":"","4":"","40":"","41":""},{"Metabolite":"3-Methylglutaconic acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"3-Methylhistamine","13":"0.0100","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0100","33":"0.0600","34":"0.0300","35":"0.0200","36":"0.1100","37":"0.0400","38":"0.0300","39":"0.0200","10":"0.0100","11":"0.0200","12":"0.0300","16":"0.0200","17":"0.0200","18":"0.0200","19":"0.0200","20":"0.0200","21":"0.0400","22":"0.0200","9":"0.0200","43":"0.0200","44":"0.0100","45":"0.0200","46":"0.0200","47":"0.0200","48":"0.0200","49":"0.0200","5":"0.0200","50":"0.0500","51":"0.0200","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0300","26":"0.0200","27":"0.0100","28":"0.0200","29":"0.0300","3":"0.0100","30":"0.0200","31":"0.0100","32":"0.0300","4":"0.0100","40":"0.0300","41":"0.0200"},{"Metabolite":"3-Methyl-L-Histidine","13":"0.0200","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0200","33":"0.0100","34":"0.0200","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0200","39":"0.0200","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0100","17":"0.0200","18":"0.0300","19":"0.0200","20":"0.0200","21":"0.0200","22":"0.0200","9":"0.0300","43":"0.0200","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0300","7":"0.0300","8":"0.0200","1":"0.0200","2":"0.0200","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0200","3":"0.0200","30":"0.0100","31":"","32":"0.0100","4":"0.0200","40":"","41":"0.0100"},{"Metabolite":"3-Phenyllactic acid","13":"0.0200","14":"0.0300","15":"0.0100","23":"0.0100","24":"0.0200","33":"0.0100","34":"0.0200","35":"0.0200","36":"0.0200","37":"0.0200","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0300","17":"0.0500","18":"0.0200","19":"0.0200","20":"0.0100","21":"0.0300","22":"0.0200","9":"0.0200","43":"","44":"","45":"","46":"","47":"0.0100","48":"","49":"","5":"0.0200","50":"","51":"","52":"","6":"0.0100","7":"0.0300","8":"0.0200","1":"0.0100","2":"0.0200","25":"","26":"","27":"","28":"","29":"0.0100","3":"0.0100","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"3-Ureidopropionate","13":"0.2200","14":"0.1700","15":"0.1300","23":"0.3600","24":"0.1100","33":"0.2900","34":"0.1800","35":"0.2400","36":"0.2900","37":"0.2800","38":"0.2100","39":"0.1500","10":"0.0900","11":"0.0700","12":"0.0700","16":"0.2500","17":"0.2300","18":"0.1400","19":"0.1000","20":"0.0900","21":"0.2000","22":"0.0900","9":"0.1200","43":"0.1400","44":"0.1200","45":"0.1500","46":"0.1100","47":"0.1500","48":"0.1900","49":"0.1400","5":"0.3300","50":"0.1800","51":"0.1600","52":"0.1100","6":"0.1000","7":"0.1900","8":"0.1100","1":"0.0700","2":"0.1000","25":"0.1600","26":"0.1400","27":"0.1400","28":"0.1300","29":"0.2000","3":"0.0700","30":"0.1200","31":"0.2600","32":"0.1200","4":"0.0600","40":"0.1400","41":"0.0900"},{"Metabolite":"4-Acetamidobutanoate","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"","50":"0.0100","51":"","52":"0.0100","6":"0.0100","7":"0.0100","8":"","1":"","2":"","25":"","26":"0.0100","27":"0.0100","28":"","29":"0.0100","3":"","30":"","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"4-Acetamidophenol","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0200","34":"0.0100","35":"0.0100","36":"0.0200","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0200","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0200","9":"0.0100","43":"","44":"0.0100","45":"","46":"","47":"0.0100","48":"","49":"0.0100","5":"0.0100","50":"","51":"","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"","27":"","28":"","29":"0.0200","3":"0.0100","30":"","31":"","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"4-Guanidino butanoate","13":"0.2800","14":"0.3000","15":"0.2400","23":"0.2800","24":"0.3200","33":"0.2900","34":"0.2200","35":"0.2600","36":"0.3500","37":"0.3100","38":"0.2500","39":"0.3000","10":"0.2600","11":"0.2500","12":"0.2800","16":"0.3200","17":"0.2500","18":"0.3100","19":"0.3000","20":"0.2700","21":"0.2800","22":"0.2500","9":"0.2800","43":"0.1700","44":"0.1600","45":"0.1300","46":"0.1000","47":"0.1600","48":"0.0900","49":"0.1300","5":"0.1500","50":"0.1200","51":"0.1300","52":"0.1500","6":"0.1200","7":"0.1700","8":"0.1300","1":"0.2000","2":"0.2300","25":"0.1300","26":"0.1400","27":"0.1000","28":"0.1500","29":"0.1400","3":"0.1900","30":"0.1100","31":"0.0800","32":"0.1400","4":"0.1900","40":"0.1200","41":"0.1000"},{"Metabolite":"4-Hydroxybenzoic acid","13":"0.0200","14":"0.0200","15":"0.0400","23":"0.0400","24":"0.0100","33":"0.0300","34":"0.0300","35":"0.0200","36":"0.0300","37":"0.0300","38":"0.0300","39":"0.0500","10":"0.0200","11":"0.0300","12":"0.0200","16":"0.0200","17":"0.0300","18":"0.0300","19":"0.0200","20":"0.0500","21":"0.0200","22":"0.0500","9":"0.0200","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"4-Hydroxyhippuric acid","13":"0.0400","14":"0.0400","15":"0.0500","23":"0.0700","24":"0.0300","33":"0.0500","34":"0.0700","35":"0.0100","36":"0.0300","37":"0.0500","38":"0.0500","39":"0.0600","10":"0.0600","11":"0.0700","12":"0.0500","16":"0.0800","17":"0.0300","18":"0.0700","19":"0.0900","20":"0.0800","21":"0.0500","22":"0.0900","9":"0.0500","43":"","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0200","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0200","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0200","3":"0.0200","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0100"},{"Metabolite":"4-Hydroxyphenylacetate","13":"0.0200","14":"0.0100","15":"0.0200","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0200","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0200","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"","52":"0.0100","6":"0.0100","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"","29":"0.0100","3":"0.0200","30":"","31":"","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"4-Hydroxyphenylacetylglycine","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"4-Hydroxyphenylpropionylglycine","13":"0.1700","14":"0.3500","15":"0.2700","23":"0.4500","24":"0.2400","33":"0.4000","34":"0.5400","35":"0.0900","36":"0.2100","37":"0.4900","38":"0.3500","39":"0.2700","10":"0.2400","11":"0.2800","12":"0.1700","16":"0.1900","17":"0.0800","18":"0.2100","19":"0.2400","20":"0.2300","21":"0.1500","22":"0.3200","9":"0.3300","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"4-Imidazoleacetic Acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0200","24":"0.0100","33":"0.0200","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0200","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0200","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0200","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"4-Methyl-2-Oxovaleric Acid","13":"0.1600","14":"0.2400","15":"0.1700","23":"0.1900","24":"0.2200","33":"0.5700","34":"0.4800","35":"0.3800","36":"0.5400","37":"0.5300","38":"0.2800","39":"0.2200","10":"0.1500","11":"0.2000","12":"0.1600","16":"0.4800","17":"0.3100","18":"0.2600","19":"0.1900","20":"0.2500","21":"0.5400","22":"0.3300","9":"0.3200","43":"0.4500","44":"0.2800","45":"0.5700","46":"0.5000","47":"0.1500","48":"0.5500","49":"0.3500","5":"0.4100","50":"0.5800","51":"0.3100","52":"0.4500","6":"0.3000","7":"0.4100","8":"0.2500","1":"0.3000","2":"0.3000","25":"0.2700","26":"0.4800","27":"0.3700","28":"0.3600","29":"0.4900","3":"0.2900","30":"0.4100","31":"0.5200","32":"0.4800","4":"0.4000","40":"0.3800","41":"0.5300"},{"Metabolite":"4-Pyridoxate","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"0.0100","48":"","49":"0.0100","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"0.0100","32":"","4":"","40":"","41":""},{"Metabolite":"5_6-Dihydrouracil","13":"0.0200","14":"0.0200","15":"0.0200","23":"0.0500","24":"0.0200","33":"0.0300","34":"0.0300","35":"0.0700","36":"0.0400","37":"0.0300","38":"0.0300","39":"0.0200","10":"0.0100","11":"0.0200","12":"0.0200","16":"0.0200","17":"0.0900","18":"0.0200","19":"0.0100","20":"0.0200","21":"0.0200","22":"0.0200","9":"0.0200","43":"0.0400","44":"0.0100","45":"0.0600","46":"0.0100","47":"0.0300","48":"0.0200","49":"0.0100","5":"0.0200","50":"0.0200","51":"0.0200","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0200","26":"0.0200","27":"0.0200","28":"0.0200","29":"0.0300","3":"0.0200","30":"0.0100","31":"0.0700","32":"0.0200","4":"0.0100","40":"0.0200","41":"0.0100"},{"Metabolite":"5-Aminovaleric acid","13":"0.0200","14":"0.0800","15":"0.0800","23":"0.0800","24":"0.0300","33":"0.0600","34":"0.0900","35":"0.0500","36":"0.0500","37":"0.1100","38":"0.0600","39":"0.0800","10":"0.0600","11":"0.0600","12":"0.0400","16":"0.1000","17":"0.1000","18":"0.0800","19":"0.1100","20":"0.0700","21":"0.0800","22":"0.1400","9":"0.0600","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"5-Hydroxy-L-Tryptophan","13":"","14":"","15":"","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"","11":"0.0100","12":"","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"","1":"0.0100","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"5-Hydroxymethyl-2-furancarboxylic acid","13":"0.0100","14":"0.0100","15":"","23":"0.0200","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"","46":"","47":"0.0100","48":"","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0200","3":"","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"Acetyl-L-carnitine","13":"0.0400","14":"0.0400","15":"0.0600","23":"0.0200","24":"0.0100","33":"0.0200","34":"0.0300","35":"0.0300","36":"0.0200","37":"0.0500","38":"0.0500","39":"0.0200","10":"0.0200","11":"0.0300","12":"0.0200","16":"0.0300","17":"0.0300","18":"0.0500","19":"0.0200","20":"0.0300","21":"0.0200","22":"0.0700","9":"0.0900","43":"0.0100","44":"0.0100","45":"0.0400","46":"0.0200","47":"0.0300","48":"0.0800","49":"0.0400","5":"0.0300","50":"0.0100","51":"0.0100","52":"0.0500","6":"0.0200","7":"0.0300","8":"0.0100","1":"0.0300","2":"0.0300","25":"0.0400","26":"0.0200","27":"0.0300","28":"0.0500","29":"0.0300","3":"0.0400","30":"0.0400","31":"0.0200","32":"0.0200","4":"0.0500","40":"0.0200","41":"0.0300"},{"Metabolite":"Adenosine","13":"0.0100","14":"0.0200","15":"0.0200","23":"0.0300","24":"0.0200","33":"0.0300","34":"0.0300","35":"0.0300","36":"0.0400","37":"0.0400","38":"0.0300","39":"0.0300","10":"0.0100","11":"0.0300","12":"0.0200","16":"0.0300","17":"0.0300","18":"0.0300","19":"0.0200","20":"0.0300","21":"","22":"0.0300","9":"0.0300","43":"0.0200","44":"0.0200","45":"0.0300","46":"0.0400","47":"0.0300","48":"0.0400","49":"0.0300","5":"0.0300","50":"0.0300","51":"0.0300","52":"0.0300","6":"0.0300","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0200","25":"0.0200","26":"0.0200","27":"0.0300","28":"0.0200","29":"0.0200","3":"0.0200","30":"0.0300","31":"0.0400","32":"0.0300","4":"0.0300","40":"0.0200","41":"0.0200"},{"Metabolite":"Adenosine 3^_5^-Cyclic Monophosphate","13":"","14":"0.0100","15":"","23":"0.0100","24":"","33":"0.0100","34":"0.0100","35":"","36":"","37":"0.0100","38":"0.0100","39":"0.0100","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"0.0100","21":"","22":"0.0100","9":"0.0100","43":"","44":"","45":"","46":"0.0100","47":"0.0100","48":"0.0100","49":"","5":"0.0100","50":"","51":"","52":"","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"","25":"","26":"","27":"","28":"0.0100","29":"","3":"0.0100","30":"","31":"0.0100","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Adipic acid","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"","35":"0.0100","36":"0.0100","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0200","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0200","44":"0.0100","45":"0.0300","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"","8":"0.0100","1":"0.0100","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"0.0200","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"Allantoin","13":"0.7100","14":"0.6600","15":"0.7700","23":"0.7800","24":"0.6100","33":"0.7600","34":"0.8500","35":"0.4700","36":"0.8100","37":"0.7900","38":"0.8400","39":"0.7200","10":"0.6000","11":"0.6600","12":"0.7200","16":"0.8500","17":"0.5300","18":"0.7800","19":"0.6800","20":"0.7200","21":"0.7700","22":"0.8100","9":"0.7900","43":"0.5100","44":"0.6200","45":"0.7100","46":"0.8700","47":"0.7900","48":"0.8400","49":"0.6800","5":"0.8700","50":"0.7500","51":"0.8300","52":"0.7200","6":"0.8300","7":"0.9000","8":"0.6800","1":"0.7800","2":"0.6700","25":"0.7400","26":"0.7800","27":"0.7500","28":"0.8200","29":"0.7200","3":"0.6600","30":"0.7200","31":"0.7000","32":"0.7800","4":"0.8500","40":"0.7600","41":"0.7300"},{"Metabolite":"Alpha-Aminoadipate","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"","35":"0.0200","36":"0.0200","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0400","18":"","19":"","20":"","21":"0.0300","22":"","9":"","43":"0.0200","44":"0.0100","45":"0.0100","46":"","47":"0.0100","48":"0.0100","49":"0.0100","5":"","50":"","51":"0.0100","52":"0.0100","6":"0.0100","7":"","8":"","1":"","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"","31":"","32":"0.0100","4":"","40":"0.0100","41":"0.0100"},{"Metabolite":"Alpha-D-Glucose 1-Phosphate (or isomers)","13":"0.0100","14":"0.0100","15":"","23":"0.0100","24":"","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"0.0100","48":"0.0100","49":"","5":"0.0100","50":"","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"alpha-Ketoglutaric acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"0.0400","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"0.0100","44":"","45":"0.6100","46":"0.0100","47":"0.0100","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"0.0300","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0300","3":"","30":"","31":"1.1500","32":"0.0100","4":"0.0100","40":"","41":"0.1100"},{"Metabolite":"Azelaic Acid","13":"0.0400","14":"0.0300","15":"0.0300","23":"0.0400","24":"0.0300","33":"0.0200","34":"0.0300","35":"0.0300","36":"0.0200","37":"0.0200","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0300","17":"0.0600","18":"0.0400","19":"0.0300","20":"0.0500","21":"0.0400","22":"0.0400","9":"0.0400","43":"0.0300","44":"0.0200","45":"0.0300","46":"0.0200","47":"0.0200","48":"0.0200","49":"0.0200","5":"0.0300","50":"0.0200","51":"0.0200","52":"0.0200","6":"0.0300","7":"0.0300","8":"0.0300","1":"0.0400","2":"0.0400","25":"0.0200","26":"0.0200","27":"0.0200","28":"0.0200","29":"0.0200","3":"0.0500","30":"0.0200","31":"0.0200","32":"0.0200","4":"0.0300","40":"0.0100","41":"0.0100"},{"Metabolite":"Beta-N-Acetylglucosamine (or isomers)","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"beta-Pseudouridine","13":"0.0400","14":"0.0400","15":"0.0400","23":"0.0400","24":"0.0400","33":"0.0100","34":"0.0300","35":"0.0200","36":"0.0200","37":"0.0200","38":"0.0300","39":"0.0400","10":"0.0200","11":"0.0200","12":"0.0300","16":"0.0500","17":"0.0400","18":"0.0300","19":"0.0300","20":"0.0200","21":"0.0400","22":"0.0200","9":"0.0200","43":"0.0400","44":"0.0300","45":"0.0400","46":"0.0200","47":"0.0200","48":"0.0300","49":"0.0100","5":"0.0300","50":"0.0500","51":"0.0400","52":"0.0300","6":"0.0200","7":"0.0300","8":"0.0200","1":"0.0300","2":"0.0200","25":"0.0400","26":"0.0400","27":"0.0200","28":"0.0600","29":"0.0200","3":"0.0400","30":"0.0300","31":"0.0200","32":"0.0200","4":"0.0200","40":"0.0200","41":"0.0400"},{"Metabolite":"Cadaverine","13":"","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"0.0100","35":"0.0100","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"0.0100","19":"0.0100","20":"0.0100","21":"","22":"0.0100","9":"0.0200","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Capryloyl glycine","13":"0.2800","14":"0.3800","15":"0.3200","23":"0.2100","24":"0.2800","33":"0.3300","34":"0.6600","35":"0.3900","36":"0.3300","37":"0.3700","38":"0.4300","39":"0.3100","10":"0.0200","11":"0.0300","12":"0.0200","16":"0.0200","17":"0.0300","18":"0.0500","19":"0.0200","20":"0.0200","21":"0.0300","22":"0.0400","9":"0.0800","43":"0.4500","44":"0.1900","45":"0.6800","46":"0.2200","47":"0.1000","48":"0.3100","49":"0.2600","5":"0.3900","50":"0.3900","51":"0.1900","52":"0.3100","6":"0.2000","7":"0.4600","8":"0.2700","1":"0.0300","2":"0.0400","25":"0.0300","26":"0.0200","27":"0.0200","28":"0.0200","29":"0.0200","3":"0.0500","30":"0.0200","31":"0.0500","32":"0.0200","4":"0.0400","40":"0.0200","41":"0.0200"},{"Metabolite":"cis-Aconitic acid","13":"0.0100","14":"0.0100","15":"0.0200","23":"","24":"","33":"0.0300","34":"0.0300","35":"0.0200","36":"0.0100","37":"0.0200","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"","16":"","17":"","18":"0.0100","19":"","20":"0.0200","21":"0.0200","22":"0.0100","9":"0.0100","43":"0.0200","44":"0.0200","45":"0.1400","46":"0.0400","47":"0.0300","48":"0.1100","49":"0.0200","5":"0.0400","50":"0.0100","51":"0.0300","52":"0.0300","6":"0.0400","7":"0.0200","8":"0.0400","1":"0.0200","2":"0.0100","25":"0.0300","26":"0.0500","27":"0.0400","28":"0.0500","29":"0.0500","3":"0.0200","30":"0.0500","31":"0.3100","32":"0.0300","4":"0.0400","40":"0.0300","41":"0.0800"},{"Metabolite":"Citrulline","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Creatine","13":"0.6500","14":"0.2200","15":"0.1400","23":"0.1200","24":"0.2900","33":"0.3300","34":"0.3400","35":"0.5000","36":"0.3000","37":"0.3200","38":"0.2300","39":"0.2700","10":"0.2500","11":"0.2000","12":"0.1800","16":"0.8300","17":"1.1500","18":"0.2300","19":"0.2100","20":"0.1600","21":"0.6600","22":"0.1600","9":"0.1500","43":"0.0900","44":"0.3800","45":"0.1100","46":"0.1200","47":"0.2100","48":"0.2300","49":"0.2200","5":"0.7200","50":"0.6200","51":"0.5400","52":"0.2200","6":"0.3100","7":"0.2800","8":"0.4700","1":"0.3400","2":"0.3800","25":"0.2600","26":"0.3800","27":"0.2900","28":"0.0700","29":"0.4300","3":"0.3600","30":"0.1300","31":"0.0600","32":"0.1300","4":"0.2400","40":"0.2200","41":"0.0600"},{"Metabolite":"Creatinine","13":"1.0000","14":"1.0000","15":"1.0000","23":"1.0000","24":"1.0000","33":"1.0000","34":"1.0000","35":"1.0000","36":"1.0000","37":"1.0000","38":"1.0000","39":"1.0000","10":"1.0000","11":"1.0000","12":"1.0000","16":"1.0000","17":"1.0000","18":"1.0000","19":"1.0000","20":"1.0000","21":"1.0000","22":"1.0000","9":"1.0000","43":"1.0000","44":"1.0000","45":"1.0000","46":"1.0000","47":"1.0000","48":"1.0000","49":"1.0000","5":"1.0000","50":"1.0000","51":"1.0000","52":"1.0000","6":"1.0000","7":"1.0000","8":"1.0000","1":"1.0000","2":"1.0000","25":"1.0000","26":"1.0000","27":"1.0000","28":"1.0000","29":"1.0000","3":"1.0000","30":"1.0000","31":"1.0000","32":"1.0000","4":"1.0000","40":"1.0000","41":"1.0000"},{"Metabolite":"Cystathionine","13":"0.0200","14":"0.0200","15":"0.0100","23":"0.0100","24":"0.0200","33":"","34":"0.0200","35":"","36":"0.0100","37":"0.0100","38":"0.0200","39":"0.0200","10":"0.0200","11":"0.0200","12":"0.0100","16":"","17":"0.0100","18":"0.0200","19":"0.0300","20":"0.0200","21":"","22":"0.0200","9":"0.0200","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0200","50":"","51":"","52":"","6":"0.0100","7":"0.0200","8":"0.0100","1":"0.0200","2":"0.0200","25":"","26":"","27":"","28":"","29":"0.0100","3":"0.0200","30":"","31":"","32":"","4":"0.0200","40":"","41":""},{"Metabolite":"Cytidine","13":"0.0400","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"0.0100","37":"0.0100","38":"0.0100","39":"","10":"","11":"0.0100","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"0.0100","9":"","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"Cytidine 2^_3^-Cyclic Mono-Phos-Phate","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"0.0100","35":"0.0100","36":"","37":"0.0100","38":"","39":"0.0100","10":"","11":"0.0100","12":"","16":"0.0100","17":"0.0100","18":"","19":"","20":"0.0100","21":"0.0100","22":"","9":"0.0100","43":"0.0100","44":"","45":"0.0100","46":"","47":"0.0100","48":"0.0100","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"","28":"0.0100","29":"0.0100","3":"0.0100","30":"","31":"0.0100","32":"","4":"","40":"0.0100","41":""},{"Metabolite":"Cytosine","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"","44":"","45":"","46":"0.0100","47":"0.0100","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"0.0100","27":"","28":"","29":"0.0100","3":"","30":"","31":"0.0200","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0200"},{"Metabolite":"D-Arabitol (or isomers)","13":"0.0200","14":"0.0300","15":"0.0200","23":"0.0300","24":"0.0200","33":"0.0200","34":"0.0200","35":"0.0300","36":"0.0200","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0300","17":"0.0500","18":"0.0300","19":"0.0400","20":"0.0200","21":"0.0300","22":"0.0300","9":"0.0200","43":"0.0300","44":"0.0200","45":"0.0300","46":"0.0200","47":"0.0200","48":"0.0200","49":"0.0200","5":"0.0200","50":"0.0200","51":"0.0200","52":"0.0200","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0200","25":"0.0200","26":"0.0200","27":"0.0200","28":"0.0200","29":"0.0200","3":"0.0200","30":"0.0200","31":"0.0100","32":"0.0200","4":"0.0200","40":"0.0200","41":"0.0200"},{"Metabolite":"Deoxycarnitine","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"0.0100","35":"0.0200","36":"","37":"","38":"","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0200","20":"0.0100","21":"","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0200","47":"0.0100","48":"0.0200","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"","27":"0.0100","28":"0.0200","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"Deoxyuridine","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"0.0100","36":"","37":"","38":"0.0100","39":"0.0100","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"0.0100","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"0.0100","51":"","52":"","6":"0.0100","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"D-Galactonic acid (or isomers)","13":"0.0100","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0100","33":"0.0300","34":"0.0400","35":"0.0100","36":"0.0200","37":"0.0300","38":"0.0500","39":"0.0400","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0200","17":"","18":"0.0300","19":"0.0200","20":"0.0300","21":"0.0100","22":"0.0500","9":"0.0300","43":"0.0100","44":"0.0200","45":"0.0200","46":"0.0300","47":"0.0400","48":"0.0400","49":"0.0300","5":"0.0500","50":"0.0200","51":"0.0100","52":"0.0300","6":"0.0300","7":"0.0400","8":"0.0200","1":"0.0300","2":"0.0200","25":"0.0200","26":"0.0300","27":"0.0400","28":"0.0400","29":"0.0300","3":"0.0200","30":"0.0200","31":"0.0300","32":"0.0300","4":"0.0600","40":"0.0200","41":"0.0200"},{"Metabolite":"D-Galacturonic acid (or isomers)","13":"0.0300","14":"0.0500","15":"0.0500","23":"0.0500","24":"0.0400","33":"0.0700","34":"0.1000","35":"0.0400","36":"0.0600","37":"0.0900","38":"0.0900","39":"0.0700","10":"0.0400","11":"0.0600","12":"0.0600","16":"0.0500","17":"0.0200","18":"0.0700","19":"0.0500","20":"0.0700","21":"0.0400","22":"0.1000","9":"0.0800","43":"0.0500","44":"0.0600","45":"0.0900","46":"0.1000","47":"0.1300","48":"0.1300","49":"0.0900","5":"0.1000","50":"0.0600","51":"0.0700","52":"0.0900","6":"0.1000","7":"0.1000","8":"0.0700","1":"0.0700","2":"0.0600","25":"0.0700","26":"0.0800","27":"0.1100","28":"0.1100","29":"0.1100","3":"0.0600","30":"0.0900","31":"0.1100","32":"0.0800","4":"0.1200","40":"0.0800","41":"0.0800"},{"Metabolite":"D-Glucono-1_5-Lactone","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0200","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"D-Glucose 6-Phosphate","13":"0.0100","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"0.0100","46":"0.0100","47":"","48":"0.0100","49":"","5":"0.0100","50":"","51":"","52":"","6":"","7":"","8":"0.0100","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"0.0100","30":"0.0100","31":"0.0100","32":"","4":"","40":"","41":""},{"Metabolite":"D-Glucose (or isomers)","13":"0.0900","14":"0.0300","15":"0.0400","23":"0.0400","24":"0.0400","33":"0.0400","34":"0.0400","35":"0.0400","36":"0.0500","37":"0.0400","38":"0.0500","39":"0.0400","10":"0.0300","11":"0.0300","12":"0.0300","16":"0.0400","17":"0.0700","18":"0.0400","19":"0.0400","20":"0.0400","21":"0.0500","22":"0.0400","9":"0.0400","43":"0.0500","44":"0.0400","45":"0.0300","46":"0.0300","47":"0.0400","48":"0.0300","49":"0.0400","5":"0.0400","50":"0.0300","51":"0.0300","52":"0.0400","6":"0.0300","7":"0.0400","8":"0.0300","1":"0.0400","2":"0.0400","25":"0.0300","26":"0.0400","27":"0.0400","28":"0.0400","29":"0.0400","3":"0.0300","30":"0.0300","31":"0.0200","32":"0.0300","4":"0.0400","40":"0.0300","41":"0.0300"},{"Metabolite":"D-Gulonic Acid Gama-Lactone","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"0.0100","35":"","36":"0.0100","37":"","38":"0.0100","39":"0.0100","10":"","11":"0.0100","12":"0.0100","16":"0.0100","17":"","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"","44":"0.0100","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"0.0100","7":"0.0100","8":"","1":"0.0100","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"0.0100","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Dihydro-5-methyl-2_4(1H_3H)-pyrimidinedione","13":"","14":"","15":"","23":"0.0100","24":"","33":"0.0100","34":"","35":"0.0300","36":"0.0100","37":"0.0100","38":"","39":"0.0100","10":"","11":"","12":"","16":"0.0100","17":"0.0300","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0200","44":"","45":"0.0200","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"0.0100","3":"","30":"","31":"0.0300","32":"","4":"","40":"","41":""},{"Metabolite":"D-Mannosamine (or isomers)","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0200","33":"0.0200","34":"0.0100","35":"0.0200","36":"0.0200","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0200","18":"0.0200","19":"0.0200","20":"0.0100","21":"0.0200","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"D-Pantothenic Acid","13":"0.0600","14":"0.0600","15":"0.0700","23":"0.0600","24":"0.0500","33":"0.0700","34":"0.0700","35":"0.0600","36":"0.0600","37":"0.0600","38":"0.0600","39":"0.0500","10":"0.0600","11":"0.0600","12":"0.0600","16":"0.0500","17":"0.0500","18":"0.0700","19":"0.0500","20":"0.0700","21":"0.0600","22":"0.0700","9":"0.0700","43":"0.0500","44":"0.0300","45":"0.0300","46":"0.0200","47":"0.0500","48":"0.0600","49":"0.0400","5":"0.0600","50":"0.0400","51":"0.0600","52":"0.0300","6":"0.0700","7":"0.0600","8":"0.0700","1":"0.0500","2":"0.0400","25":"0.0500","26":"0.0600","27":"0.0400","28":"0.0300","29":"0.0600","3":"0.0500","30":"0.0300","31":"0.0300","32":"0.0300","4":"0.0600","40":"0.0500","41":"0.0300"},{"Metabolite":"D-Ribose (or isomers)","13":"0.0300","14":"0.0300","15":"0.0300","23":"0.0300","24":"0.0200","33":"0.0200","34":"0.0300","35":"0.0200","36":"0.0200","37":"0.0200","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0300","12":"0.0300","16":"0.0200","17":"0.0200","18":"0.0300","19":"0.0200","20":"0.0300","21":"0.0300","22":"0.0300","9":"0.0300","43":"0.0200","44":"0.0200","45":"0.0300","46":"0.0300","47":"0.0300","48":"0.0300","49":"0.0200","5":"0.0400","50":"0.0300","51":"0.0200","52":"0.0200","6":"0.0300","7":"0.0300","8":"0.0300","1":"0.0300","2":"0.0300","25":"0.0200","26":"0.0200","27":"0.0200","28":"0.0300","29":"0.0200","3":"0.0300","30":"0.0200","31":"0.0200","32":"0.0200","4":"0.0300","40":"0.0200","41":"0.0300"},{"Metabolite":"D-Sorbitol (or isomers)","13":"0.0900","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0200","33":"0.0200","34":"0.0200","35":"0.0200","36":"0.0200","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0500","17":"0.0400","18":"0.0200","19":"0.0200","20":"0.0200","21":"0.0300","22":"0.0200","9":"0.0200","43":"0.0300","44":"0.0200","45":"0.0300","46":"0.0200","47":"0.0200","48":"0.0200","49":"0.0200","5":"0.0200","50":"0.0200","51":"0.0200","52":"0.0200","6":"0.0100","7":"0.0200","8":"0.0100","1":"0.0200","2":"0.0200","25":"0.0200","26":"0.0100","27":"0.0200","28":"0.0200","29":"0.0100","3":"0.0200","30":"0.0200","31":"0.0100","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0200"},{"Metabolite":"Erucamide","13":"0.2200","14":"0.6200","15":"1.4400","23":"0.1200","24":"0.2000","33":"0.5900","34":"0.1000","35":"0.1400","36":"0.1500","37":"0.1000","38":"0.1000","39":"0.1000","10":"0.1000","11":"0.0900","12":"0.3100","16":"0.6200","17":"0.4600","18":"0.1300","19":"0.1700","20":"0.1500","21":"3.7000","22":"0.1000","9":"0.1200","43":"3.3100","44":"0.6300","45":"0.0800","46":"0.3600","47":"0.0600","48":"1.1500","49":"0.0600","5":"0.1100","50":"0.1500","51":"0.1100","52":"0.3300","6":"0.1800","7":"0.0800","8":"1.3900","1":"0.2600","2":"0.1600","25":"2.0000","26":"0.0700","27":"0.0800","28":"0.1100","29":"0.4200","3":"2.0300","30":"0.4300","31":"0.1700","32":"0.4400","4":"0.0800","40":"0.1100","41":"0.6600"},{"Metabolite":"Erucic Acid","13":"0.0400","14":"0.0200","15":"0.0300","23":"0.0300","24":"0.0400","33":"0.0200","34":"0.0200","35":"0.0300","36":"0.0300","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0400","17":"0.1000","18":"0.0300","19":"0.0300","20":"0.0200","21":"0.0500","22":"0.0200","9":"0.0200","43":"0.0300","44":"0.0200","45":"0.0200","46":"0.0200","47":"0.0100","48":"0.0200","49":"0.0100","5":"0.0200","50":"0.0200","51":"0.0200","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0200","25":"0.0200","26":"0.0200","27":"0.0100","28":"0.0200","29":"0.0100","3":"0.0200","30":"0.0200","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0200"},{"Metabolite":"Ethylmalonic Acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0100","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"0.0100","46":"","47":"","48":"0.0100","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"0.0100","32":"","4":"","40":"","41":""},{"Metabolite":"Ferulate","13":"0.0200","14":"0.0200","15":"0.0200","23":"0.0300","24":"0.0200","33":"0.0200","34":"0.0300","35":"0.0300","36":"0.0300","37":"0.0400","38":"0.0300","39":"0.0300","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0300","18":"0.0200","19":"0.0100","20":"0.0100","21":"0.0200","22":"0.0200","9":"0.0200","43":"0.0200","44":"0.0200","45":"0.0600","46":"0.0500","47":"0.0300","48":"0.0600","49":"0.0300","5":"0.0300","50":"0.0300","51":"0.0100","52":"0.0400","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0200","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0200","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0100"},{"Metabolite":"Fumarate","13":"0.0300","14":"","15":"","23":"","24":"","33":"","34":"0.0100","35":"0.0800","36":"0.0100","37":"","38":"","39":"","10":"0.0100","11":"0.0100","12":"","16":"","17":"0.0400","18":"","19":"","20":"","21":"0.0300","22":"","9":"","43":"0.0800","44":"0.0100","45":"0.1000","46":"0.0300","47":"0.0300","48":"0.0300","49":"0.0200","5":"0.0300","50":"","51":"0.0200","52":"0.0100","6":"0.0200","7":"0.0100","8":"0.0200","1":"0.0200","2":"0.0100","25":"0.0700","26":"0.0400","27":"0.0300","28":"0.0400","29":"0.0500","3":"0.0100","30":"0.0200","31":"0.0500","32":"0.0300","4":"0.0200","40":"0.0100","41":"0.0900"},{"Metabolite":"Glutamic acid (or isomers)","13":"0.0100","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"0.0100","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"0.0200","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"","7":"","8":"","1":"0.0100","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Glutamine","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"","41":"0.0100"},{"Metabolite":"Glutarate","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"0.0200","36":"0.0100","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0400","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0100","44":"","45":"0.0200","46":"0.0100","47":"0.0100","48":"","49":"0.0100","5":"0.0100","50":"","51":"0.0100","52":"0.0100","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"","31":"0.0200","32":"0.0100","4":"","40":"","41":"0.0100"},{"Metabolite":"Glycine","13":"","14":"","15":"","23":"","24":"","33":"","34":"0.0100","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0100","44":"","45":"","46":"0.0100","47":"","48":"","49":"","5":"0.0100","50":"","51":"0.0100","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Glycolic acid","13":"0.0200","14":"","15":"0.0100","23":"0.0300","24":"0.0100","33":"0.0100","34":"","35":"0.0500","36":"0.0200","37":"0.0100","38":"0.0100","39":"","10":"","11":"","12":"","16":"0.1400","17":"0.1800","18":"0.0100","19":"0.0400","20":"","21":"0.0500","22":"","9":"","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"","7":"","8":"0.0100","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Guanidinoacetate","13":"0.1200","14":"0.1800","15":"0.1500","23":"0.1400","24":"0.1500","33":"0.3000","34":"0.2800","35":"0.3800","36":"0.2900","37":"0.3100","38":"0.2200","39":"0.2400","10":"0.1400","11":"0.1800","12":"0.1400","16":"0.3500","17":"0.3900","18":"0.1800","19":"0.1800","20":"0.2000","21":"0.3000","22":"0.2400","9":"0.2200","43":"0.3500","44":"0.2400","45":"0.3800","46":"0.2300","47":"0.2800","48":"0.3500","49":"0.2200","5":"0.1600","50":"0.2200","51":"0.2700","52":"0.2400","6":"0.2300","7":"0.1700","8":"0.1800","1":"0.1700","2":"0.1900","25":"0.1600","26":"0.2400","27":"0.2500","28":"0.2500","29":"0.2600","3":"0.2200","30":"0.2200","31":"0.3400","32":"0.1900","4":"0.2100","40":"0.2000","41":"0.2400"},{"Metabolite":"Guanosine 3^_5^-Cyclic Monophosphate","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Hippurate","13":"1.3600","14":"2.0700","15":"2.3800","23":"2.6900","24":"1.1100","33":"1.9600","34":"2.1000","35":"1.2100","36":"1.9400","37":"2.5100","38":"1.7500","39":"1.8500","10":"2.1200","11":"2.2400","12":"1.9300","16":"2.6900","17":"2.1300","18":"2.2700","19":"2.2700","20":"2.5900","21":"2.6300","22":"2.5100","9":"2.3200","43":"0.0200","44":"0.0200","45":"0.0400","46":"0.0200","47":"0.0600","48":"0.0200","49":"0.0400","5":"0.0800","50":"0.0300","51":"0.0400","52":"0.0200","6":"0.0500","7":"0.0700","8":"0.0600","1":"0.0600","2":"0.0600","25":"0.0200","26":"0.0600","27":"0.0300","28":"0.0200","29":"0.0500","3":"0.0500","30":"0.0100","31":"0.0200","32":"0.0200","4":"0.0600","40":"0.0500","41":"0.0100"},{"Metabolite":"Histamine","13":"","14":"","15":"","23":"","24":"","33":"0.0500","34":"","35":"","36":"0.1200","37":"0.0200","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"0.0400","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"0.0400","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"0.0300","26":"0.0100","27":"","28":"","29":"0.0100","3":"","30":"","31":"","32":"0.0100","4":"","40":"0.0200","41":"0.0100"},{"Metabolite":"Homocitrulline","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"0.0100","39":"0.0100","10":"","11":"","12":"","16":"","17":"","18":"","19":"0.0100","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Homovanillic acid","13":"0.0400","14":"0.0300","15":"0.0400","23":"0.0300","24":"0.0300","33":"0.0600","34":"0.0300","35":"0.0800","36":"0.0600","37":"0.0600","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0300","12":"0.0300","16":"0.0700","17":"0.0900","18":"0.0400","19":"0.0300","20":"0.0400","21":"0.0800","22":"0.0400","9":"0.0500","43":"0.0700","44":"0.0500","45":"0.0900","46":"0.0500","47":"0.0600","48":"0.0600","49":"0.0600","5":"0.0300","50":"0.0500","51":"0.0400","52":"0.0600","6":"0.0400","7":"0.0300","8":"0.0300","1":"0.0300","2":"0.0300","25":"0.0600","26":"0.0400","27":"0.0500","28":"0.0800","29":"0.0500","3":"0.0300","30":"0.0600","31":"0.0600","32":"0.0500","4":"0.0300","40":"0.0500","41":"0.0500"},{"Metabolite":"Homovanillic acid sulfate","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0200","34":"0.0200","35":"0.0100","36":"0.0100","37":"0.0200","38":"0.0200","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0200","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0200","46":"0.0200","47":"0.0200","48":"0.0200","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0200","28":"0.0200","29":"0.0200","3":"0.0100","30":"0.0100","31":"0.0200","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0100"},{"Metabolite":"Hypotaurine","13":"","14":"0.0100","15":"","23":"","24":"0.0100","33":"","34":"","35":"0.0200","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0200","18":"0.0100","19":"","20":"","21":"0.0100","22":"","9":"0.0100","43":"0.0200","44":"","45":"0.0200","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"0.0100","8":"","1":"","2":"0.0100","25":"","26":"","27":"","28":"","29":"0.0100","3":"0.0100","30":"","31":"0.0200","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Indole-3-Acetate","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"","35":"0.0100","36":"0.0100","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"","8":"","1":"","2":"","25":"","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"0.0100","32":"0.0100","4":"","40":"0.0100","41":"0.0100"},{"Metabolite":"Indole-3-Carboxaldehyde","13":"0.0100","14":"0.0100","15":"0.0200","23":"0.0200","24":"0.0100","33":"0.0400","34":"0.0100","35":"0.0700","36":"0.0500","37":"0.0400","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0200","16":"0.0700","17":"0.0600","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0600","22":"0.0100","9":"0.0100","43":"0.0400","44":"0.0300","45":"0.0600","46":"0.0400","47":"0.0400","48":"0.0500","49":"0.0300","5":"0.0200","50":"0.0300","51":"0.0300","52":"0.0400","6":"0.0100","7":"0.0100","8":"0.0200","1":"0.0100","2":"0.0100","25":"0.0400","26":"0.0500","27":"0.0500","28":"0.0500","29":"0.0300","3":"0.0200","30":"0.0400","31":"0.0800","32":"0.0500","4":"0.0100","40":"0.0600","41":"0.0500"},{"Metabolite":"Indole-3-lactic acid","13":"0.0200","14":"0.0200","15":"0.0400","23":"0.0100","24":"0.0200","33":"0.0100","34":"0.0500","35":"0.0200","36":"0.0100","37":"0.0100","38":"0.0300","39":"0.0300","10":"0.0100","11":"0.0300","12":"0.0200","16":"0.0100","17":"0.0200","18":"0.0300","19":"0.0200","20":"0.0400","21":"0.0200","22":"0.0400","9":"0.0400","43":"0.0100","44":"","45":"0.0100","46":"0.0100","47":"","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"","52":"0.0100","6":"0.0300","7":"0.0200","8":"0.0300","1":"0.0200","2":"0.0200","25":"","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0200","30":"","31":"0.0100","32":"0.0100","4":"0.0200","40":"","41":""},{"Metabolite":"Inosine","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Isocaproylglycine","13":"1.3500","14":"2.0500","15":"1.5700","23":"1.1500","24":"0.7000","33":"0.6700","34":"1.6300","35":"0.4200","36":"0.6100","37":"1.2700","38":"1.5900","39":"1.3100","10":"0.0800","11":"0.0900","12":"0.0700","16":"0.0500","17":"0.0800","18":"0.1400","19":"0.0900","20":"0.0900","21":"0.0300","22":"0.1300","9":"0.1600","43":"0.3200","44":"0.3000","45":"0.5900","46":"0.6500","47":"0.4700","48":"0.7300","49":"0.5200","5":"0.8600","50":"0.5600","51":"0.2600","52":"0.5300","6":"0.6400","7":"0.9900","8":"0.5200","1":"0.0900","2":"0.0900","25":"0.0400","26":"0.0400","27":"0.0300","28":"0.0400","29":"0.0300","3":"0.1400","30":"0.0300","31":"0.0700","32":"0.0300","4":"0.1300","40":"0.0300","41":"0.0500"},{"Metabolite":"Isoleucine","13":"0.0300","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0200","33":"0.0300","34":"0.0200","35":"0.0500","36":"0.0400","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0200","17":"0.0500","18":"0.0200","19":"0.0200","20":"0.0200","21":"0.1300","22":"0.0200","9":"0.0200","43":"0.0200","44":"0.0100","45":"0.0200","46":"0.0100","47":"0.0100","48":"0.0200","49":"0.0100","5":"0.1300","50":"0.0100","51":"0.0200","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0300","2":"0.0200","25":"0.0500","26":"0.0100","27":"0.0200","28":"0.0100","29":"0.0100","3":"0.0200","30":"0.0100","31":"0.0200","32":"0.0200","4":"0.0200","40":"0.0200","41":"0.0100"},{"Metabolite":"Itaconic acid","13":"","14":"","15":"0.0100","23":"","24":"","33":"0.0100","34":"0.0100","35":"0.0100","36":"","37":"0.0100","38":"0.0100","39":"0.0100","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"0.0100","21":"0.0100","22":"0.0100","9":"","43":"0.0100","44":"0.0100","45":"0.0500","46":"0.0200","47":"0.0100","48":"0.0300","49":"0.0100","5":"0.0100","50":"","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0200","1":"0.0100","2":"","25":"0.0100","26":"0.0200","27":"0.0100","28":"0.0200","29":"0.0200","3":"0.0100","30":"0.0200","31":"0.1100","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0300"},{"Metabolite":"Kynurenic acid","13":"0.0400","14":"0.0400","15":"0.0300","23":"0.0200","24":"0.0300","33":"0.0400","34":"0.0500","35":"0.0400","36":"0.0500","37":"0.0400","38":"0.0400","39":"0.0300","10":"0.0200","11":"0.0300","12":"0.0300","16":"0.0400","17":"0.0300","18":"0.0500","19":"0.0400","20":"0.0300","21":"0.0400","22":"0.0500","9":"0.0400","43":"0.0300","44":"0.0300","45":"0.0400","46":"0.0300","47":"0.0400","48":"0.0400","49":"0.0400","5":"0.0500","50":"0.0400","51":"0.0400","52":"0.0400","6":"0.0500","7":"0.0600","8":"0.0300","1":"0.0500","2":"0.0400","25":"0.0400","26":"0.0300","27":"0.0600","28":"0.0500","29":"0.0400","3":"0.0600","30":"0.0400","31":"0.0500","32":"0.0500","4":"0.0600","40":"0.0400","41":"0.0400"},{"Metabolite":"Lactic acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"","33":"0.0300","34":"0.0100","35":"0.0100","36":"0.0300","37":"0.0100","38":"","39":"0.0100","10":"","11":"","12":"","16":"0.0100","17":"0.0200","18":"","19":"0.0100","20":"","21":"0.0200","22":"","9":"","43":"0.0300","44":"","45":"0.0600","46":"0.0100","47":"","48":"0.0100","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0200","26":"0.0100","27":"0.0100","28":"0.0100","29":"","3":"","30":"","31":"0.0300","32":"0.0100","4":"","40":"","41":"0.0200"},{"Metabolite":"L-Arginine","13":"0.0200","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"","45":"","46":"","47":"0.0100","48":"0.0100","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"","27":"","28":"","29":"0.0100","3":"0.0100","30":"0.0100","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"L-Asparagine","13":"0.0400","14":"0.0300","15":"0.0300","23":"0.0400","24":"0.0400","33":"0.0400","34":"0.0400","35":"0.0400","36":"0.0500","37":"0.0400","38":"0.0400","39":"0.0400","10":"0.0400","11":"0.0400","12":"0.0400","16":"0.0400","17":"0.0400","18":"0.0400","19":"0.0400","20":"0.0400","21":"0.0500","22":"0.0400","9":"0.0400","43":"0.0400","44":"0.0400","45":"0.0300","46":"0.0300","47":"0.0300","48":"0.0300","49":"0.0300","5":"0.0300","50":"0.0300","51":"0.0300","52":"0.0300","6":"0.0300","7":"0.0300","8":"0.0300","1":"0.0300","2":"0.0300","25":"0.0300","26":"0.0300","27":"0.0300","28":"0.0300","29":"0.0400","3":"0.0300","30":"0.0300","31":"0.0200","32":"0.0300","4":"0.0300","40":"0.0300","41":"0.0300"},{"Metabolite":"L-Aspartic acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0300","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"L-Carnitine","13":"0.0600","14":"0.0600","15":"0.0800","23":"0.0300","24":"0.0200","33":"0.0400","34":"0.0400","35":"0.0700","36":"0.0500","37":"0.0600","38":"0.0600","39":"0.0500","10":"0.0400","11":"0.0400","12":"0.0400","16":"0.0200","17":"0.1700","18":"0.0500","19":"0.0500","20":"0.0600","21":"0.0600","22":"0.0600","9":"0.0500","43":"0.0800","44":"0.0500","45":"0.0600","46":"0.0400","47":"0.0500","48":"0.1300","49":"0.1300","5":"0.1000","50":"0.0500","51":"0.0400","52":"0.1100","6":"0.0700","7":"0.0700","8":"0.0500","1":"0.0600","2":"0.0600","25":"0.1200","26":"0.0600","27":"0.1000","28":"0.1000","29":"0.0900","3":"0.0800","30":"0.0600","31":"0.0200","32":"0.0600","4":"0.0900","40":"0.0500","41":"0.0600"},{"Metabolite":"Leucine","13":"0.0900","14":"0.1100","15":"0.0700","23":"0.0500","24":"0.0900","33":"0.0500","34":"0.1100","35":"0.0900","36":"0.0900","37":"0.0400","38":"0.0900","39":"0.0900","10":"0.0600","11":"0.0700","12":"0.0600","16":"0.0400","17":"0.0600","18":"0.0900","19":"0.0700","20":"0.0800","21":"0.2200","22":"0.0700","9":"0.1100","43":"0.0600","44":"0.0300","45":"0.0400","46":"0.0300","47":"0.0300","48":"0.0400","49":"0.0400","5":"0.2600","50":"0.0300","51":"0.0400","52":"0.0300","6":"0.0700","7":"0.1200","8":"0.0700","1":"0.0800","2":"0.1000","25":"0.0700","26":"0.0300","27":"0.0400","28":"0.0300","29":"0.0500","3":"0.0900","30":"0.0300","31":"0.0400","32":"0.0400","4":"0.0900","40":"0.0400","41":"0.0300"},{"Metabolite":"L-Glutamine","13":"0.0500","14":"0.0600","15":"0.0400","23":"0.0400","24":"0.0500","33":"0.0300","34":"0.0600","35":"0.0800","36":"0.0300","37":"0.0300","38":"0.0500","39":"0.0500","10":"0.0400","11":"0.0400","12":"0.0400","16":"0.0400","17":"0.0800","18":"0.0500","19":"0.0300","20":"0.0500","21":"0.0600","22":"0.0500","9":"0.0600","43":"0.0500","44":"0.0300","45":"0.0400","46":"0.0300","47":"0.0300","48":"0.0300","49":"0.0300","5":"0.0400","50":"0.0300","51":"0.0300","52":"0.0200","6":"0.0400","7":"0.0400","8":"0.0400","1":"0.0500","2":"0.0500","25":"0.0300","26":"0.0300","27":"0.0200","28":"0.0300","29":"0.0400","3":"0.0400","30":"0.0300","31":"0.0400","32":"0.0200","4":"0.0400","40":"0.0200","41":"0.0300"},{"Metabolite":"L-Homoarginine","13":"0.0200","14":"0.0200","15":"0.0100","23":"0.0200","24":"0.0100","33":"0.0100","34":"0.0200","35":"0.0200","36":"0.0200","37":"0.0100","38":"0.0200","39":"0.0200","10":"0.0100","11":"0.0200","12":"0.0200","16":"0.0200","17":"0.0200","18":"0.0200","19":"0.0200","20":"0.0100","21":"0.0200","22":"0.0200","9":"0.0200","43":"","44":"0.0100","45":"","46":"0.0100","47":"0.0100","48":"","49":"0.0100","5":"","50":"","51":"0.0100","52":"0.0100","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"","32":"0.0100","4":"","40":"0.0100","41":""},{"Metabolite":"L-Methionine","13":"0.1500","14":"0.1800","15":"0.0800","23":"0.1900","24":"0.1800","33":"0.1300","34":"0.1100","35":"0.4800","36":"0.1600","37":"0.0700","38":"0.1400","39":"0.1400","10":"0.1400","11":"0.0600","12":"0.0900","16":"0.1900","17":"0.2500","18":"0.1300","19":"0.2500","20":"0.0900","21":"0.1100","22":"0.0600","9":"0.1200","43":"0.0800","44":"0.0300","45":"0.0200","46":"0.0200","47":"0.0400","48":"0.0200","49":"0.0500","5":"0.1300","50":"0.0300","51":"0.0400","52":"0.0300","6":"0.0600","7":"0.1600","8":"0.0800","1":"0.1000","2":"0.1400","25":"0.0300","26":"0.0500","27":"0.0500","28":"0.0200","29":"0.1100","3":"0.0900","30":"0.0200","31":"0.0500","32":"0.0300","4":"0.0900","40":"0.0400","41":"0.0200"},{"Metabolite":"L-Phenylalanine","13":"0.0500","14":"0.0400","15":"0.0400","23":"0.0400","24":"0.0400","33":"0.0500","34":"0.0400","35":"0.0800","36":"0.0700","37":"0.0400","38":"0.0500","39":"0.0400","10":"0.0400","11":"0.0300","12":"0.0300","16":"0.0500","17":"0.0900","18":"0.0500","19":"0.0400","20":"0.0400","21":"0.1900","22":"0.0400","9":"0.0400","43":"0.0500","44":"0.0300","45":"0.0400","46":"0.0200","47":"0.0300","48":"0.0300","49":"0.0300","5":"0.1800","50":"0.0200","51":"0.0300","52":"0.0200","6":"0.0400","7":"0.0400","8":"0.0400","1":"0.0400","2":"0.0400","25":"0.0700","26":"0.0300","27":"0.0300","28":"0.0200","29":"0.0400","3":"0.0300","30":"0.0200","31":"0.0400","32":"0.0300","4":"0.0400","40":"0.0400","41":"0.0200"},{"Metabolite":"L-Pyroglutamic acid","13":"0.0400","14":"0.0400","15":"0.0400","23":"0.0600","24":"0.0400","33":"0.0600","34":"0.0600","35":"0.0500","36":"0.0600","37":"0.0700","38":"0.0600","39":"0.0500","10":"0.0300","11":"0.0400","12":"0.0400","16":"0.0500","17":"0.0400","18":"0.0500","19":"0.0500","20":"0.0500","21":"0.0600","22":"0.0600","9":"0.0600","43":"0.0300","44":"0.0300","45":"0.0300","46":"0.0300","47":"0.0400","48":"0.0400","49":"0.0400","5":"0.1000","50":"0.0300","51":"0.0300","52":"0.0300","6":"0.0300","7":"0.0400","8":"0.0400","1":"0.0400","2":"0.0300","25":"0.0600","26":"0.0400","27":"0.0400","28":"0.0300","29":"0.0500","3":"0.0300","30":"0.0300","31":"0.0500","32":"0.0400","4":"0.0400","40":"0.0400","41":"0.0400"},{"Metabolite":"L-Serine","13":"0.0200","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0200","33":"0.0100","34":"0.0100","35":"0.0300","36":"0.0200","37":"0.0100","38":"0.0100","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0300","18":"0.0200","19":"0.0200","20":"0.0100","21":"0.0500","22":"0.0100","9":"0.0300","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0800","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0200","8":"0.0100","1":"0.0300","2":"0.0200","25":"0.0400","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"L-Threonine (or isomers)","13":"0.0200","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0300","33":"0.0200","34":"0.0300","35":"0.0400","36":"0.0300","37":"0.0200","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0300","17":"0.0400","18":"0.0300","19":"0.0200","20":"0.0200","21":"0.0600","22":"0.0200","9":"0.0300","43":"0.0200","44":"0.0200","45":"0.0200","46":"0.0100","47":"0.0200","48":"0.0200","49":"0.0100","5":"0.0400","50":"0.0200","51":"0.0200","52":"0.0200","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0300","25":"0.0200","26":"0.0200","27":"0.0200","28":"0.0200","29":"0.0200","3":"0.0200","30":"0.0100","31":"0.0200","32":"0.0200","4":"0.0200","40":"0.0100","41":"0.0200"},{"Metabolite":"Lysine","13":"0.0200","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0400","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"Maltotriose","13":"0.0200","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"0.0200","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"0.0100","31":"0.0100","32":"","4":"","40":"","41":""},{"Metabolite":"Mannitol (or isomers)","13":"0.0300","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"0.0100","48":"0.0100","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"","4":"","40":"0.0100","41":""},{"Metabolite":"Methyl Beta-D-Galactoside","13":"0.0100","14":"0.0200","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0200","18":"0.0200","19":"0.0200","20":"0.0100","21":"0.0200","22":"0.0100","9":"0.0100","43":"0.0200","44":"0.0200","45":"0.0200","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0200","7":"0.0100","8":"0.0100","1":"0.0200","2":"0.0200","25":"0.0200","26":"0.0100","27":"0.0200","28":"0.0100","29":"0.0100","3":"0.0200","30":"0.0200","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"Methyl Indole-3-Acetate","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"","35":"0.0100","36":"0.0100","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"","44":"","45":"0.0100","46":"0.0100","47":"","48":"0.0100","49":"0.0100","5":"","50":"","51":"","52":"0.0100","6":"","7":"","8":"","1":"","2":"","25":"","26":"0.0100","27":"0.0100","28":"","29":"","3":"","30":"","31":"0.0100","32":"0.0100","4":"","40":"0.0100","41":"0.0100"},{"Metabolite":"Methylsuccinic acid","13":"0.0100","14":"","15":"0.0100","23":"0.0100","24":"","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"","11":"0.0100","12":"","16":"0.0100","17":"0.0100","18":"0.0100","19":"","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"","44":"","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"N-(2-Furoyl)glycine","13":"0.0300","14":"0.0200","15":"0.0200","23":"0.0300","24":"0.0200","33":"0.0500","34":"0.0300","35":"0.0300","36":"0.0400","37":"0.0400","38":"0.0300","39":"0.0300","10":"0.0300","11":"0.0200","12":"0.0200","16":"0.0300","17":"0.0300","18":"0.0200","19":"0.0300","20":"0.0300","21":"0.0300","22":"0.0200","9":"0.0200","43":"0.0200","44":"0.0200","45":"0.0100","46":"0.0100","47":"0.0400","48":"0.0100","49":"0.0200","5":"0.0400","50":"0.0200","51":"0.0300","52":"0.0200","6":"0.0300","7":"0.0300","8":"0.0300","1":"0.0200","2":"0.0300","25":"0.0200","26":"0.0400","27":"0.0300","28":"0.0200","29":"0.0400","3":"0.0200","30":"0.0100","31":"0.0200","32":"0.0200","4":"0.0200","40":"0.0400","41":"0.0100"},{"Metabolite":"N-(3-Indolylacetyl)-L-alanine","13":"0.6700","14":"1.0900","15":"1.1400","23":"0.9500","24":"0.8200","33":"0.7800","34":"1.1500","35":"0.5500","36":"0.6900","37":"0.9000","38":"0.9400","39":"0.9000","10":"1.0000","11":"1.0500","12":"0.6800","16":"0.6500","17":"0.4800","18":"1.0800","19":"1.0100","20":"1.2200","21":"0.6300","22":"1.3200","9":"1.2600","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"N-(3-Phenylpropionyl)glycine","13":"2.0700","14":"2.3000","15":"2.0600","23":"2.3600","24":"1.8100","33":"1.1700","34":"2.1900","35":"1.3900","36":"1.1400","37":"1.7900","38":"1.7200","39":"1.7900","10":"0.1300","11":"0.1300","12":"0.0900","16":"0.0600","17":"0.1300","18":"0.2300","19":"0.1900","20":"0.1500","21":"0.0500","22":"0.2000","9":"0.2100","43":"0.0100","44":"","45":"","46":"","47":"0.0100","48":"","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"","6":"0.0100","7":"0.0200","8":"0.0200","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"N-Acetyl-Dl-Glutamic Acid","13":"0.0200","14":"0.0300","15":"0.0200","23":"0.0200","24":"0.0200","33":"0.0200","34":"0.0300","35":"0.0200","36":"0.0300","37":"0.0200","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0200","17":"0.0200","18":"0.0300","19":"0.0200","20":"0.0300","21":"0.0300","22":"0.0300","9":"0.0300","43":"0.0100","44":"0.0100","45":"0.0200","46":"0.0100","47":"0.0200","48":"0.0200","49":"0.0100","5":"0.0300","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0200","25":"0.0200","26":"0.0200","27":"0.0100","28":"0.0100","29":"0.0200","3":"0.0200","30":"0.0100","31":"0.0300","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0100"},{"Metabolite":"N-Acetyl-Dl-Methionine","13":"0.0300","14":"0.0400","15":"0.0300","23":"0.0300","24":"0.0200","33":"0.0100","34":"0.0200","35":"0.0300","36":"0.0100","37":"0.0200","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0200","18":"0.0200","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0200","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0200","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"N-Acetyl-Dl-Serine","13":"0.0200","14":"0.0300","15":"0.0200","23":"0.0200","24":"0.0200","33":"0.0200","34":"0.0300","35":"0.0300","36":"0.0200","37":"0.0200","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0200","17":"0.0200","18":"0.0300","19":"0.0200","20":"0.0200","21":"0.0200","22":"0.0200","9":"0.0300","43":"0.0200","44":"0.0200","45":"0.0200","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0300","50":"0.0100","51":"0.0200","52":"0.0100","6":"0.0200","7":"0.0300","8":"0.0300","1":"0.0300","2":"0.0300","25":"0.0200","26":"0.0200","27":"0.0100","28":"0.0100","29":"0.0200","3":"0.0300","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0300","40":"0.0100","41":"0.0100"},{"Metabolite":"N-Acetyl-D-Mannosamine (or isomers)","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"N-Acetylglycine","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"0.0100","35":"0.0100","36":"","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0100","18":"0.0200","19":"0.0200","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0200","46":"","47":"","48":"","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0200","26":"0.0100","27":"","28":"","29":"","3":"0.0200","30":"","31":"0.0100","32":"","4":"0.0100","40":"","41":"0.0100"},{"Metabolite":"N-Acetyl-L-Alanine","13":"0.0100","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0100","33":"0.0100","34":"0.0200","35":"0.0200","36":"0.0200","37":"0.0200","38":"0.0200","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0200","18":"0.0200","19":"0.0200","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0200","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"","48":"","49":"0.0100","5":"0.0200","50":"","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0200","8":"0.0100","1":"0.0100","2":"0.0200","25":"0.0100","26":"0.0100","27":"0.0100","28":"","29":"0.0100","3":"0.0200","30":"","31":"0.0100","32":"0.0100","4":"0.0200","40":"","41":""},{"Metabolite":"N-Acetyl-L-aspartic acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"0.0100","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0100","44":"","45":"0.0100","46":"","47":"","48":"","49":"","5":"0.0200","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"0.0100","27":"","28":"","29":"0.0100","3":"","30":"","31":"0.0100","32":"","4":"0.0100","40":"","41":"0.0100"},{"Metabolite":"N-Acetyl-L-Leucine","13":"0.0500","14":"0.0700","15":"0.0500","23":"0.0400","24":"0.0400","33":"0.0200","34":"0.0600","35":"0.0600","36":"0.0300","37":"0.0200","38":"0.0500","39":"0.0600","10":"0.0400","11":"0.0200","12":"0.0200","16":"0.0100","17":"0.0500","18":"0.0400","19":"0.0400","20":"0.0300","21":"0.0100","22":"0.0300","9":"0.0500","43":"0.0200","44":"0.0100","45":"0.0200","46":"","47":"","48":"","49":"0.0100","5":"0.0300","50":"","51":"","52":"","6":"0.0100","7":"0.0500","8":"0.0300","1":"0.0300","2":"0.0500","25":"0.0100","26":"","27":"","28":"","29":"","3":"0.0500","30":"","31":"","32":"","4":"0.0200","40":"","41":""},{"Metabolite":"N-Acetyl-L-tyrosine","13":"0.3500","14":"0.6700","15":"0.5600","23":"1.0300","24":"0.4900","33":"0.8100","34":"0.9100","35":"0.1800","36":"0.4600","37":"1.0000","38":"0.6400","39":"0.5000","10":"0.5200","11":"0.5900","12":"0.3900","16":"0.3900","17":"0.1600","18":"0.4300","19":"0.4800","20":"0.4500","21":"0.3000","22":"0.5900","9":"0.7200","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"0.0100","52":"","6":"","7":"","8":"","1":"","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"0.0100","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"N-Acetylneuraminate","13":"","14":"","15":"","23":"0.0100","24":"","33":"","34":"0.0100","35":"","36":"","37":"0.0100","38":"0.0100","39":"0.0100","10":"","11":"0.0100","12":"","16":"0.0100","17":"","18":"0.0100","19":"","20":"0.0100","21":"0.0100","22":"0.0100","9":"","43":"0.0100","44":"","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"0.0100","32":"","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"N-Acetyltryptophan","13":"0.1200","14":"0.1700","15":"0.1800","23":"0.1600","24":"0.1300","33":"0.1300","34":"0.2300","35":"0.0900","36":"0.1200","37":"0.1500","38":"0.1700","39":"0.1500","10":"0.1400","11":"0.1700","12":"0.1100","16":"0.1100","17":"0.0900","18":"0.1600","19":"0.1500","20":"0.2000","21":"0.1000","22":"0.2400","9":"0.2000","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"N-Alpha-Acetyl-L-Asparagine","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"","35":"0.0100","36":"0.0100","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"","50":"0.0100","51":"0.0100","52":"0.0100","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"0.0100","32":"0.0100","4":"","40":"0.0100","41":"0.0100"},{"Metabolite":"N-alpha-Acetyl-L-Lysine","13":"0.0200","14":"0.0200","15":"0.0200","23":"0.0200","24":"0.0200","33":"0.0200","34":"0.0200","35":"0.0300","36":"0.0300","37":"0.0300","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0400","17":"0.0300","18":"0.0300","19":"0.0200","20":"0.0300","21":"0.0300","22":"0.0300","9":"0.0200","43":"0.0300","44":"0.0300","45":"0.0300","46":"0.0300","47":"0.0400","48":"0.0300","49":"0.0300","5":"0.0200","50":"0.0300","51":"0.0300","52":"0.0300","6":"0.0200","7":"0.0200","8":"0.0200","1":"0.0200","2":"0.0200","25":"0.0300","26":"0.0400","27":"0.0300","28":"0.0400","29":"0.0300","3":"0.0200","30":"0.0300","31":"0.0400","32":"0.0300","4":"0.0200","40":"0.0300","41":"0.0300"},{"Metabolite":"N-Butyrylglycine","13":"0.0900","14":"0.1100","15":"0.1100","23":"0.1000","24":"0.0800","33":"0.0600","34":"0.2000","35":"0.0500","36":"0.0400","37":"0.1000","38":"0.1400","39":"0.1200","10":"0.0600","11":"0.1500","12":"0.1200","16":"0.1200","17":"0.0500","18":"0.2200","19":"0.1500","20":"0.1400","21":"0.0600","22":"0.2200","9":"0.2100","43":"0.0500","44":"0.0500","45":"0.1200","46":"0.1400","47":"0.0900","48":"0.1700","49":"0.0800","5":"0.1400","50":"0.0900","51":"0.0600","52":"0.1000","6":"0.1000","7":"0.1300","8":"0.0900","1":"0.1300","2":"0.1000","25":"0.0800","26":"0.0600","27":"0.0900","28":"0.1400","29":"0.0800","3":"0.1600","30":"0.1100","31":"0.1800","32":"0.0800","4":"0.2100","40":"0.0700","41":"0.1200"},{"Metabolite":"N-Caproylglycine","13":"3.2900","14":"3.0000","15":"3.1800","23":"2.7000","24":"3.3700","33":"1.5100","34":"3.3100","35":"1.3900","36":"1.4900","37":"2.0400","38":"3.0000","39":"2.6900","10":"0.4400","11":"0.9100","12":"0.7200","16":"0.3300","17":"0.2100","18":"1.4800","19":"0.8200","20":"0.8600","21":"0.2600","22":"1.3500","9":"1.4300","43":"2.1500","44":"1.5100","45":"2.5700","46":"2.1700","47":"1.4900","48":"2.3500","49":"1.7400","5":"3.2600","50":"2.5300","51":"1.7500","52":"1.9400","6":"2.6500","7":"2.5700","8":"2.7400","1":"1.0100","2":"0.8400","25":"0.3800","26":"0.3600","27":"0.4100","28":"0.5800","29":"0.3600","3":"1.4000","30":"0.5200","31":"1.0200","32":"0.4300","4":"1.3800","40":"0.3400","41":"0.6900"},{"Metabolite":"N-(Cinnamoyl)glycine","13":"0.2600","14":"0.3400","15":"0.4100","23":"0.4700","24":"0.2000","33":"0.1900","34":"0.3700","35":"0.1100","36":"0.1500","37":"0.3300","38":"0.2400","39":"0.3300","10":"0.8100","11":"1.0900","12":"0.6000","16":"0.4600","17":"0.5700","18":"1.1900","19":"1.0300","20":"0.9800","21":"0.3400","22":"1.2500","9":"1.1100","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"0.0100","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"0.0100","30":"","31":"","32":"","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"Nepsilon_Nepsilon_Nepsilon-Trimethyllysine","13":"0.0900","14":"0.0900","15":"0.1000","23":"0.1100","24":"0.1000","33":"0.1500","34":"0.1000","35":"0.1100","36":"0.1600","37":"0.1800","38":"0.1100","39":"0.1100","10":"0.0800","11":"0.1100","12":"0.1200","16":"0.1500","17":"0.1200","18":"0.1200","19":"0.1100","20":"0.0800","21":"0.1800","22":"0.0900","9":"0.1300","43":"0.1400","44":"0.1100","45":"0.1400","46":"0.0800","47":"0.1000","48":"0.1200","49":"0.1000","5":"0.0900","50":"0.1200","51":"0.1100","52":"0.1000","6":"0.1000","7":"0.0900","8":"0.0800","1":"0.0900","2":"0.1100","25":"0.0900","26":"0.1100","27":"0.0900","28":"0.1100","29":"0.1200","3":"0.0800","30":"0.1000","31":"0.0900","32":"0.1100","4":"0.0700","40":"0.0800","41":"0.0900"},{"Metabolite":"N-Formyl-L-methionine","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"","17":"","18":"0.0100","19":"0.0100","20":"0.0100","21":"","22":"0.0100","9":"0.0100","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"0.0100","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Nicotinamide","13":"0.0300","14":"0.0400","15":"0.0800","23":"0.0300","24":"0.0300","33":"0.0700","34":"0.0500","35":"0.0400","36":"0.0500","37":"0.0900","38":"0.0400","39":"0.0600","10":"0.0400","11":"0.0400","12":"0.0400","16":"0.0500","17":"0.0300","18":"0.0400","19":"0.0300","20":"0.0600","21":"0.0700","22":"0.0600","9":"0.0600","43":"0.0400","44":"0.0400","45":"0.0600","46":"0.0200","47":"0.0400","48":"0.0400","49":"0.0400","5":"0.0400","50":"0.0400","51":"0.0400","52":"0.0400","6":"0.0400","7":"0.0400","8":"0.0300","1":"0.0400","2":"0.0300","25":"0.0400","26":"0.0500","27":"0.0400","28":"0.0400","29":"0.0600","3":"0.0400","30":"0.0300","31":"0.0400","32":"0.0500","4":"0.0500","40":"0.0400","41":"0.0300"},{"Metabolite":"Nicotinuric acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"N-Isobutyrylglycine/butyrylglycine (coelute)","13":"0.0600","14":"0.0800","15":"0.0900","23":"0.0700","24":"0.0500","33":"0.0400","34":"0.1900","35":"0.0300","36":"0.0300","37":"0.0800","38":"0.1300","39":"0.0900","10":"0.0500","11":"0.1100","12":"0.0800","16":"0.0700","17":"0.0300","18":"0.1700","19":"0.1100","20":"0.1100","21":"0.0400","22":"0.2000","9":"0.1500","43":"0.0400","44":"0.0500","45":"0.1300","46":"0.1700","47":"0.0900","48":"0.1700","49":"0.0800","5":"0.1800","50":"0.0900","51":"0.0500","52":"0.1000","6":"0.1000","7":"0.1700","8":"0.0900","1":"0.1300","2":"0.0900","25":"0.0700","26":"0.0600","27":"0.0900","28":"0.1300","29":"0.0800","3":"0.1600","30":"0.1000","31":"0.1900","32":"0.0800","4":"0.2700","40":"0.0600","41":"0.1100"},{"Metabolite":"N-Isovaleroylglycine","13":"0.4000","14":"0.3900","15":"0.3200","23":"0.4600","24":"0.3600","33":"0.2200","34":"0.6100","35":"0.1400","36":"0.1800","37":"0.3100","38":"0.4100","39":"0.4000","10":"0.3100","11":"0.4600","12":"0.3700","16":"0.2600","17":"0.1400","18":"0.6400","19":"0.5300","20":"0.4800","21":"0.1900","22":"0.6000","9":"0.7200","43":"0.1200","44":"0.1100","45":"0.1100","46":"0.1400","47":"0.1700","48":"0.1900","49":"0.1400","5":"0.3900","50":"0.1600","51":"0.1800","52":"0.1200","6":"0.3800","7":"0.4400","8":"0.3400","1":"0.4700","2":"0.4800","25":"0.1400","26":"0.2200","27":"0.1600","28":"0.1800","29":"0.1900","3":"0.4500","30":"0.1500","31":"0.1500","32":"0.1700","4":"0.5000","40":"0.1400","41":"0.1600"},{"Metabolite":"N-Methyl-L-Glutamate (or isomers)","13":"","14":"","15":"","23":"","24":"","33":"0.0100","34":"","35":"0.0100","36":"0.0100","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0100","44":"0.0100","45":"","46":"","47":"","48":"","49":"0.0100","5":"","50":"","51":"","52":"0.0100","6":"","7":"","8":"","1":"","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"","29":"0.0100","3":"","30":"","31":"","32":"0.0100","4":"","40":"","41":""},{"Metabolite":"N_N-Dimethylglycine (or isomers)","13":"0.0200","14":"0.0100","15":"0.0200","23":"0.0100","24":"0.0100","33":"0.0300","34":"0.0100","35":"0.0900","36":"0.0300","37":"0.0100","38":"0.0200","39":"0.0200","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.1600","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0400","22":"0.0200","9":"0.0200","43":"0.0300","44":"0.0100","45":"0.0300","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0200","25":"0.0200","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0200","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"O-Acetyl-L-Serine (or isomers)","13":"0.0200","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"","10":"0.0100","11":"0.0100","12":"","16":"0.0100","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0500","22":"0.0100","9":"0.0100","43":"0.0100","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"0.0100","51":"","52":"","6":"","7":"","8":"","1":"0.0100","2":"0.0100","25":"0.0100","26":"","27":"","28":"","29":"","3":"","30":"","31":"0.0100","32":"","4":"","40":"0.0100","41":""},{"Metabolite":"Orotic acid","13":"0.0200","14":"0.0300","15":"0.0200","23":"0.0100","24":"0.0200","33":"0.0100","34":"0.0300","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0200","39":"0.0400","10":"0.0300","11":"0.0200","12":"0.0200","16":"","17":"","18":"0.0300","19":"0.0100","20":"0.0300","21":"0.0100","22":"0.0300","9":"0.0200","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0400","8":"0.0300","1":"0.0200","2":"0.0300","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0300","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0200","40":"0.0100","41":"0.0100"},{"Metabolite":"Pantothenic acid","13":"0.0300","14":"0.0300","15":"0.0300","23":"0.0200","24":"0.0200","33":"0.0300","34":"0.0400","35":"0.0200","36":"0.0300","37":"0.0300","38":"0.0300","39":"0.0200","10":"0.0300","11":"0.0300","12":"0.0200","16":"0.0300","17":"0.0200","18":"0.0300","19":"0.0200","20":"0.0400","21":"0.0300","22":"0.0400","9":"0.0300","43":"0.0200","44":"0.0100","45":"0.0200","46":"0.0100","47":"0.0300","48":"0.0400","49":"0.0200","5":"0.0400","50":"0.0200","51":"0.0300","52":"0.0200","6":"0.0400","7":"0.0400","8":"0.0400","1":"0.0300","2":"0.0300","25":"0.0300","26":"0.0400","27":"0.0200","28":"0.0200","29":"0.0300","3":"0.0300","30":"0.0200","31":"0.0200","32":"0.0200","4":"0.0500","40":"0.0200","41":"0.0200"},{"Metabolite":"p-Coumaric acid","13":"0.0100","14":"0.0300","15":"0.0500","23":"0.0200","24":"0.0100","33":"0.0100","34":"0.0200","35":"0.0200","36":"0.0200","37":"0.0100","38":"0.0200","39":"0.0400","10":"0.0100","11":"0.0200","12":"0.0200","16":"0.0100","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0300","21":"0.0200","22":"0.0300","9":"0.0100","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Phenylacetic acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Phenylacetylglycine","13":"0.3700","14":"0.2800","15":"0.2800","23":"0.3700","24":"0.2500","33":"0.3300","34":"0.3900","35":"0.2800","36":"0.3100","37":"0.4000","38":"0.3500","39":"0.3300","10":"0.2300","11":"0.3000","12":"0.2800","16":"0.3100","17":"0.2100","18":"0.2900","19":"0.2900","20":"0.3300","21":"0.2300","22":"0.3500","9":"0.3000","43":"0.1500","44":"0.1200","45":"0.1500","46":"0.1300","47":"0.1900","48":"0.1500","49":"0.1500","5":"0.2600","50":"0.1700","51":"0.1700","52":"0.1400","6":"0.2600","7":"0.2500","8":"0.2100","1":"0.2200","2":"0.2000","25":"0.1000","26":"0.1800","27":"0.1500","28":"0.1200","29":"0.1800","3":"0.2100","30":"0.1100","31":"0.1400","32":"0.1500","4":"0.2300","40":"0.1500","41":"0.1100"},{"Metabolite":"Phenylpyruvic acid","13":"0.0600","14":"0.0500","15":"0.0700","23":"0.0600","24":"0.0500","33":"0.2200","34":"0.0600","35":"0.2700","36":"0.2300","37":"0.1900","38":"0.0500","39":"0.0600","10":"0.0300","11":"0.0200","12":"0.0300","16":"0.1500","17":"0.2400","18":"0.0600","19":"0.0700","20":"0.0400","21":"0.1800","22":"0.0400","9":"0.0500","43":"0.1400","44":"0.0800","45":"0.1900","46":"0.0900","47":"0.0400","48":"0.0700","49":"0.1000","5":"0.0800","50":"0.1000","51":"0.0800","52":"0.1000","6":"0.0400","7":"0.0900","8":"0.0600","1":"0.0400","2":"0.0700","25":"0.0800","26":"0.1100","27":"0.0900","28":"0.0400","29":"0.0700","3":"0.0600","30":"0.0400","31":"0.1500","32":"0.1400","4":"0.0400","40":"0.1300","41":"0.0800"},{"Metabolite":"Pimelic acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0200","36":"0.0200","37":"0.0200","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0200","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0200","22":"0.0100","9":"0.0100","43":"0.0200","44":"0.0100","45":"0.0300","46":"0.0200","47":"0.0200","48":"0.0200","49":"0.0200","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0200","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0200","26":"0.0100","27":"0.0200","28":"0.0200","29":"0.0200","3":"0.0100","30":"0.0200","31":"0.0200","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"Pipecolate","13":"0.1900","14":"0.1900","15":"0.2300","23":"0.2300","24":"0.1600","33":"0.3500","34":"0.2600","35":"0.1800","36":"0.2900","37":"0.3000","38":"0.2500","39":"0.2200","10":"0.2300","11":"0.2100","12":"0.2000","16":"0.2200","17":"0.1500","18":"0.2300","19":"0.1800","20":"0.2400","21":"0.1800","22":"0.2600","9":"0.2400","43":"0.0800","44":"0.0900","45":"0.1100","46":"0.0800","47":"0.1400","48":"0.1100","49":"0.1200","5":"0.1800","50":"0.0900","51":"0.1000","52":"0.1100","6":"0.1700","7":"0.1800","8":"0.1500","1":"0.1700","2":"0.1600","25":"0.1100","26":"0.1400","27":"0.1300","28":"0.0900","29":"0.1700","3":"0.1500","30":"0.0900","31":"0.1400","32":"0.1200","4":"0.1900","40":"0.1500","41":"0.1000"},{"Metabolite":"Proline","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0300","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0800","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0600","22":"0.0100","9":"0.0100","43":"0.0200","44":"","45":"0.0100","46":"","47":"","48":"0.0100","49":"","5":"0.0200","50":"0.0100","51":"0.0100","52":"","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"","27":"","28":"","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"","40":"0.0100","41":"0.0100"},{"Metabolite":"Riboflavin","13":"0.0100","14":"0.0100","15":"0.0200","23":"0.0200","24":"","33":"0.0200","34":"0.0100","35":"0.0100","36":"0.0100","37":"0.0200","38":"0.0100","39":"0.0100","10":"0.0200","11":"0.0200","12":"0.0300","16":"0.0100","17":"0.0100","18":"0.0200","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0200","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0200","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0300","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0200","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0200","27":"0.0200","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0200","32":"0.0100","4":"0.0100","40":"0.0200","41":"0.0100"},{"Metabolite":"Sebacic acid","13":"0.0100","14":"0.0200","15":"0.0100","23":"0.0300","24":"0.0100","33":"","34":"0.0200","35":"0.0100","36":"","37":"","38":"0.0300","39":"0.0300","10":"0.0100","11":"","12":"0.0100","16":"0.0100","17":"0.0200","18":"0.0200","19":"0.0100","20":"0.0300","21":"0.0100","22":"0.0300","9":"0.0200","43":"0.0100","44":"","45":"0.0100","46":"0.0100","47":"0.0100","48":"","49":"","5":"0.0200","50":"0.0100","51":"0.0100","52":"","6":"0.0200","7":"0.0300","8":"0.0200","1":"0.0200","2":"0.0300","25":"","26":"","27":"","28":"0.0100","29":"","3":"0.0400","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"SN-glycero-3-Phosphocholine","13":"0.1700","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0200","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"","44":"","45":"","46":"0.0100","47":"","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"","52":"","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"","27":"0.0100","28":"","29":"","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"","41":"0.0100"},{"Metabolite":"Spermidine","13":"0.1500","14":"0.0100","15":"0.0100","23":"0.0100","24":"","33":"","34":"0.0200","35":"","36":"","37":"","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"","17":"","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0300","43":"","44":"","45":"","46":"0.0100","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"0.0100","7":"0.0100","8":"","1":"0.0100","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"0.0100","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Stachyose (or isomers)","13":"0.0100","14":"","15":"","23":"0.0100","24":"","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0200","44":"0.0100","45":"0.0100","46":"0.0100","47":"","48":"0.0100","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"","8":"0.0100","1":"","2":"0.0100","25":"0.0100","26":"","27":"","28":"0.0100","29":"","3":"0.0100","30":"0.0100","31":"0.0100","32":"","4":"","40":"","41":"0.0100"},{"Metabolite":"Suberic Acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"","34":"","35":"0.0100","36":"0.0100","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0200","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"","47":"0.0100","48":"","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"Suberylglycine","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"0.0100","46":"0.0200","47":"0.0100","48":"0.0200","49":"0.0100","5":"","50":"0.0100","51":"","52":"0.0100","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"0.0100","32":"","4":"","40":"","41":""},{"Metabolite":"Succinic acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"0.0200","36":"0.0100","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"0.0200","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0100","44":"","45":"0.0700","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0100","50":"","51":"","52":"","6":"0.0100","7":"","8":"0.0100","1":"0.0100","2":"","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"","30":"0.0100","31":"0.1300","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0300"},{"Metabolite":"Syringic acid","13":"0.0100","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0200","34":"0.0100","35":"0.0200","36":"0.0200","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0100","22":"0.0100","9":"0.0100","43":"","44":"0.0100","45":"","46":"","47":"","48":"","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0200","8":"0.0200","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0200","27":"0.0100","28":"","29":"0.0100","3":"0.0100","30":"","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":""},{"Metabolite":"Taurine","13":"0.8900","14":"0.6900","15":"0.7400","23":"0.5100","24":"0.5700","33":"0.6700","34":"0.8500","35":"0.9000","36":"0.6900","37":"0.6400","38":"0.5400","39":"0.5700","10":"0.4800","11":"0.6000","12":"0.4700","16":"0.8700","17":"1.0100","18":"0.6300","19":"0.5100","20":"0.7700","21":"0.8100","22":"0.6400","9":"0.6400","43":"0.8300","44":"0.5800","45":"0.9200","46":"0.3900","47":"0.7000","48":"0.9100","49":"0.5700","5":"1.0300","50":"0.9700","51":"0.7800","52":"0.5900","6":"1.0400","7":"0.9400","8":"0.9000","1":"0.8400","2":"0.7000","25":"0.5900","26":"0.7100","27":"0.7100","28":"0.6400","29":"0.7100","3":"0.8400","30":"0.4000","31":"0.9000","32":"0.5900","4":"0.8400","40":"0.6100","41":"0.5800"},{"Metabolite":"Thymidine","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"0.0100","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"0.0100","21":"","22":"0.0100","9":"0.0100","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"0.0100","51":"","52":"","6":"0.0100","7":"0.0100","8":"","1":"","2":"0.0100","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Tiglyl glycine","13":"0.0700","14":"","15":"0.0800","23":"0.0800","24":"0.0700","33":"0.0300","34":"0.1200","35":"0.0200","36":"0.0200","37":"0.0300","38":"0.0600","39":"","10":"0.0700","11":"0.0900","12":"0.0600","16":"","17":"0.0200","18":"0.1300","19":"0.1200","20":"0.1000","21":"0.0300","22":"0.1200","9":"0.1300","43":"0.0100","44":"0.0100","45":"0.0200","46":"0.0200","47":"0.0200","48":"0.0300","49":"0.0200","5":"0.0600","50":"0.0200","51":"0.0200","52":"0.0200","6":"0.0500","7":"0.0700","8":"","1":"0.0700","2":"0.0700","25":"","26":"0.0300","27":"","28":"0.0300","29":"0.0200","3":"0.0700","30":"0.0200","31":"0.0200","32":"","4":"0.0800","40":"0.0200","41":"0.0200"},{"Metabolite":"Trigonelline","13":"0.1800","14":"0.1200","15":"0.1300","23":"0.1300","24":"0.1400","33":"0.0900","34":"0.0800","35":"0.0900","36":"0.1000","37":"0.0900","38":"0.1100","39":"0.1100","10":"0.1000","11":"0.0900","12":"0.1200","16":"0.1600","17":"0.1200","18":"0.1300","19":"0.1300","20":"0.0900","21":"0.1200","22":"0.0800","9":"0.1000","43":"0.0900","44":"0.0700","45":"0.0400","46":"0.0600","47":"0.0600","48":"0.0500","49":"0.0600","5":"0.0900","50":"0.0600","51":"0.0600","52":"0.0700","6":"0.0600","7":"0.0800","8":"0.0800","1":"0.0900","2":"0.0900","25":"0.0500","26":"0.0900","27":"0.0500","28":"0.0800","29":"0.0800","3":"0.1000","30":"0.0600","31":"0.0300","32":"0.0600","4":"0.0600","40":"0.0600","41":"0.0600"},{"Metabolite":"Trimethylamine N-oxide","13":"0.0800","14":"0.1000","15":"0.1700","23":"0.3000","24":"0.0800","33":"0.3000","34":"0.1400","35":"0.0900","36":"0.3400","37":"0.5400","38":"0.1000","39":"0.0900","10":"0.0800","11":"0.1300","12":"0.0900","16":"0.3600","17":"0.1700","18":"0.1100","19":"0.0700","20":"0.1200","21":"0.5200","22":"0.1400","9":"0.1600","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0300","48":"0.0100","49":"0.0100","5":"0.0100","50":"0.0100","51":"0.0200","52":"0.0100","6":"0.0100","7":"","8":"","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0200","3":"","30":"0.0100","31":"","32":"0.0100","4":"","40":"0.0100","41":"0.0100"},{"Metabolite":"Tryptophan","13":"0.0200","14":"0.0100","15":"0.0100","23":"0.0100","24":"0.0100","33":"0.0100","34":"0.0100","35":"0.0200","36":"0.0200","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"0.0100","17":"0.0100","18":"0.0100","19":"0.0100","20":"0.0100","21":"0.0500","22":"0.0100","9":"0.0100","43":"0.0100","44":"0.0100","45":"0.0100","46":"0.0100","47":"0.0100","48":"0.0100","49":"0.0100","5":"0.0200","50":"0.0100","51":"0.0100","52":"0.0100","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"0.0100","27":"0.0100","28":"0.0100","29":"0.0100","3":"0.0100","30":"0.0100","31":"0.0100","32":"0.0100","4":"0.0100","40":"0.0100","41":"0.0100"},{"Metabolite":"Turanose (or isomers)","13":"0.0400","14":"0.0100","15":"0.0100","23":"0.0100","24":"","33":"","34":"0.0100","35":"0.0100","36":"","37":"0.0100","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"","16":"0.0100","17":"0.0100","18":"0.0100","19":"","20":"","21":"0.0100","22":"","9":"","43":"0.0400","44":"0.0100","45":"0.0100","46":"0.0100","47":"","48":"0.0100","49":"","5":"0.0100","50":"0.0100","51":"0.0100","52":"0.0100","6":"","7":"","8":"0.0100","1":"0.0100","2":"0.0100","25":"0.0100","26":"","27":"0.0100","28":"0.0100","29":"","3":"0.0100","30":"0.0100","31":"0.0100","32":"","4":"0.0100","40":"","41":"0.0100"},{"Metabolite":"Tyrosine","13":"0.0300","14":"0.0300","15":"0.0200","23":"0.0200","24":"0.0300","33":"0.0300","34":"0.0300","35":"0.0800","36":"0.0400","37":"0.0200","38":"0.0300","39":"0.0300","10":"0.0200","11":"0.0200","12":"0.0200","16":"0.0300","17":"0.0500","18":"0.0200","19":"0.0200","20":"0.0200","21":"0.0800","22":"0.0200","9":"0.0300","43":"0.0300","44":"0.0100","45":"0.0300","46":"0.0100","47":"0.0100","48":"0.0200","49":"0.0200","5":"0.0700","50":"0.0100","51":"0.0200","52":"0.0200","6":"0.0300","7":"0.0300","8":"0.0300","1":"0.0200","2":"0.0300","25":"0.0300","26":"0.0200","27":"0.0200","28":"0.0100","29":"0.0200","3":"0.0200","30":"0.0100","31":"0.0200","32":"0.0200","4":"0.0200","40":"0.0200","41":"0.0100"},{"Metabolite":"Uracil","13":"0.0100","14":"0.0100","15":"0.0100","23":"","24":"0.0100","33":"","34":"0.0100","35":"0.0100","36":"","37":"","38":"0.0100","39":"0.0100","10":"0.0100","11":"0.0100","12":"0.0100","16":"","17":"0.0100","18":"0.0100","19":"","20":"0.0100","21":"","22":"0.0100","9":"0.0100","43":"0.0100","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"0.0100","7":"0.0100","8":"0.0100","1":"0.0100","2":"0.0100","25":"","26":"","27":"","28":"0.0100","29":"","3":"0.0100","30":"","31":"0.0100","32":"","4":"0.0100","40":"","41":""},{"Metabolite":"Uridine","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"","38":"0.0100","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"0.0100","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"","7":"0.0100","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Valine","13":"0.0800","14":"0.0600","15":"0.0600","23":"0.0800","24":"","33":"0.0800","34":"0.0700","35":"0.1100","36":"0.1000","37":"0.0800","38":"0.0600","39":"0.0600","10":"0.0500","11":"0.0600","12":"0.0600","16":"0.0900","17":"0.0100","18":"0.0700","19":"","20":"0.0600","21":"0.2000","22":"0.0600","9":"0.0700","43":"0.0600","44":"0.0400","45":"0.0600","46":"0.0400","47":"0.0400","48":"0.0500","49":"0.0400","5":"0.1600","50":"0.0400","51":"0.0500","52":"0.0300","6":"0.0500","7":"0.0500","8":"0.0400","1":"0.0600","2":"0.0500","25":"0.0700","26":"0.0400","27":"0.0400","28":"0.0300","29":"0.0400","3":"0.0500","30":"0.0300","31":"0.0600","32":"0.0400","4":"0.0500","40":"0.0500","41":"0.0300"},{"Metabolite":"Valproic acid","13":"0.0100","14":"","15":"","23":"","24":"0.0100","33":"","34":"","35":"","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"0.0100","17":"0.0100","18":"","19":"","20":"","21":"0.0100","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"","50":"","51":"","52":"","6":"","7":"","8":"","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Vanillic acid","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"0.0100","36":"","37":"","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"","48":"","49":"","5":"0.0100","50":"","51":"","52":"","6":"","7":"0.0100","8":"0.0100","1":"","2":"","25":"","26":"","27":"","28":"","29":"","3":"","30":"","31":"","32":"","4":"","40":"","41":""},{"Metabolite":"Xanthosine","13":"","14":"","15":"","23":"","24":"","33":"","34":"","35":"","36":"","37":"0.0100","38":"","39":"","10":"","11":"","12":"","16":"","17":"","18":"","19":"","20":"","21":"","22":"","9":"","43":"","44":"","45":"","46":"","47":"0.0100","48":"0.0100","49":"","5":"0.0100","50":"","51":"0.0100","52":"","6":"0.0100","7":"","8":"","1":"","2":"","25":"","26":"0.0100","27":"","28":"0.0100","29":"0.0100","3":"","30":"","31":"0.0100","32":"","4":"","40":"0.0100","41":""}],

"Metabolites":[{"Metabolite":"1-Methyladenosine","pubchem_id":"","inchi_key":"","kegg_id":"C02494","other_id":"","other_id_type":"","ri":"1.38","ri_type":"","moverz_quant":"282.1203","":""},{"Metabolite":"2,4-Dihydroxybutanoic acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"1.06","ri_type":"","moverz_quant":"119.0347","":""},{"Metabolite":"2,6-Dihydroxybenzoic acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"5.1","ri_type":"","moverz_quant":"153.0185","":""},{"Metabolite":"2-Aminobutyric acid (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C02261","other_id":"","other_id_type":"","ri":"0.87","ri_type":"","moverz_quant":"102.057","":""},{"Metabolite":"2-Hydroxy-2-methylbutanoic acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.64","ri_type":"","moverz_quant":"117.0558","":""},{"Metabolite":"2-Hydroxy-3-methylbutyric acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.89","ri_type":"","moverz_quant":"117.0565","":""},{"Metabolite":"2-Hydroxybutyric Acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"2.25","ri_type":"","moverz_quant":"103.0408","":""},{"Metabolite":"2-Hydroxyethanesulfonic acid","pubchem_id":"","inchi_key":"","kegg_id":"C05123","other_id":"","other_id_type":"","ri":"1.04","ri_type":"","moverz_quant":"124.9924","":""},{"Metabolite":"2-Hydroxyphenylacetate","pubchem_id":"","inchi_key":"","kegg_id":"C05852","other_id":"","other_id_type":"","ri":"4.93","ri_type":"","moverz_quant":"151.0407","":""},{"Metabolite":"2-Ketoisovaleric acid","pubchem_id":"","inchi_key":"","kegg_id":"C00141","other_id":"","other_id_type":"","ri":"2.99","ri_type":"","moverz_quant":"115.0411","":""},{"Metabolite":"2-Methylbutyrylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.12","ri_type":"","moverz_quant":"158.0841","":""},{"Metabolite":"2-Methylhippuric acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.99","ri_type":"","moverz_quant":"194.0789","":""},{"Metabolite":"3,4-Dihydroxyhydrocinnamic acid","pubchem_id":"","inchi_key":"","kegg_id":"C01197","other_id":"","other_id_type":"","ri":"4.48","ri_type":"","moverz_quant":"181.0476","":""},{"Metabolite":"3-(4-Hydroxyphenyl)Lactate","pubchem_id":"","inchi_key":"","kegg_id":"C03672","other_id":"","other_id_type":"","ri":"3.86","ri_type":"","moverz_quant":"181.0519","":""},{"Metabolite":"3-(4-Hydroxyphenyl)propionic acid","pubchem_id":"","inchi_key":"","kegg_id":"C01744","other_id":"","other_id_type":"","ri":"5.04","ri_type":"","moverz_quant":"165.0578","":""},{"Metabolite":"3-(4-Hydroxyphenyl)pyruvic acid","pubchem_id":"","inchi_key":"","kegg_id":"C01179","other_id":"","other_id_type":"","ri":"3.37","ri_type":"","moverz_quant":"179.0365","":""},{"Metabolite":"3,5-Dihydroxybenzoic acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.16","ri_type":"","moverz_quant":"153.019","":""},{"Metabolite":"3-Aminosalicylic acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"1.64","ri_type":"","moverz_quant":"154.0479","":""},{"Metabolite":"3-Hydroxy-3-Methylglutarate","pubchem_id":"","inchi_key":"","kegg_id":"C03761","other_id":"","other_id_type":"","ri":"2.13","ri_type":"","moverz_quant":"161.0453","":""},{"Metabolite":"3-Methylglutaconic acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.03","ri_type":"","moverz_quant":"143.0348","":""},{"Metabolite":"3-Methylhistamine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"0.73","ri_type":"","moverz_quant":"126.1028","":""},{"Metabolite":"3-Methyl-L-Histidine","pubchem_id":"","inchi_key":"","kegg_id":"C01152","other_id":"","other_id_type":"","ri":"0.78","ri_type":"","moverz_quant":"170.0927","":""},{"Metabolite":"3-Phenyllactic acid","pubchem_id":"","inchi_key":"","kegg_id":"C05607","other_id":"","other_id_type":"","ri":"5.44","ri_type":"","moverz_quant":"165.0568","":""},{"Metabolite":"3-Ureidopropionate","pubchem_id":"","inchi_key":"","kegg_id":"C02642","other_id":"","other_id_type":"","ri":"1.16","ri_type":"","moverz_quant":"133.061","":""},{"Metabolite":"4-Acetamidobutanoate","pubchem_id":"","inchi_key":"","kegg_id":"C00334","other_id":"","other_id_type":"","ri":"2.62","ri_type":"","moverz_quant":"146.0815","":""},{"Metabolite":"4-Acetamidophenol","pubchem_id":"","inchi_key":"","kegg_id":"C06804","other_id":"","other_id_type":"","ri":"3.59","ri_type":"","moverz_quant":"152.0686","":""},{"Metabolite":"4-Guanidino butanoate","pubchem_id":"","inchi_key":"","kegg_id":"C01035","other_id":"","other_id_type":"","ri":"1.09","ri_type":"","moverz_quant":"146.0925","":""},{"Metabolite":"4-Hydroxybenzoic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00156","other_id":"","other_id_type":"","ri":"4.11","ri_type":"","moverz_quant":"137.0258","":""},{"Metabolite":"4-Hydroxyhippuric acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.39","ri_type":"","moverz_quant":"194.0482","":""},{"Metabolite":"4-Hydroxyphenylacetate","pubchem_id":"","inchi_key":"","kegg_id":"C00642","other_id":"","other_id_type":"","ri":"4.41","ri_type":"","moverz_quant":"151.0407","":""},{"Metabolite":"4-Hydroxyphenylacetylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.41","ri_type":"","moverz_quant":"208.0634","":""},{"Metabolite":"4-Hydroxyphenylpropionylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.09","ri_type":"","moverz_quant":"222.0792","":""},{"Metabolite":"4-Imidazoleacetic Acid","pubchem_id":"","inchi_key":"","kegg_id":"C02835","other_id":"","other_id_type":"","ri":"0.88","ri_type":"","moverz_quant":"127.0505","":""},{"Metabolite":"4-Methyl-2-Oxovaleric Acid","pubchem_id":"","inchi_key":"","kegg_id":"C00233","other_id":"","other_id_type":"","ri":"4.68","ri_type":"","moverz_quant":"129.0558","":""},{"Metabolite":"4-Pyridoxate","pubchem_id":"","inchi_key":"","kegg_id":"C00847","other_id":"","other_id_type":"","ri":"2.65","ri_type":"","moverz_quant":"182.0464","":""},{"Metabolite":"5,6-Dihydrouracil","pubchem_id":"","inchi_key":"","kegg_id":"C00429","other_id":"","other_id_type":"","ri":"1.19","ri_type":"","moverz_quant":"115.0505","":""},{"Metabolite":"5-Aminovaleric acid","pubchem_id":"","inchi_key":"","kegg_id":"C00431","other_id":"","other_id_type":"","ri":"0.86","ri_type":"","moverz_quant":"116.0732","":""},{"Metabolite":"5-Hydroxy-L-Tryptophan","pubchem_id":"","inchi_key":"","kegg_id":"C00643","other_id":"","other_id_type":"","ri":"2.65","ri_type":"","moverz_quant":"221.0927","":""},{"Metabolite":"5-Hydroxymethyl-2-furancarboxylic acid","pubchem_id":"","inchi_key":"","kegg_id":"C20448","other_id":"","other_id_type":"","ri":"3.26","ri_type":"","moverz_quant":"143.034","":""},{"Metabolite":"Acetyl-L-carnitine","pubchem_id":"","inchi_key":"","kegg_id":"C02571","other_id":"","other_id_type":"","ri":"1.2","ri_type":"","moverz_quant":"204.1235","":""},{"Metabolite":"Adenosine","pubchem_id":"","inchi_key":"","kegg_id":"C00212","other_id":"","other_id_type":"","ri":"2.55","ri_type":"","moverz_quant":"268.1043","":""},{"Metabolite":"Adenosine 3',5'-Cyclic Monophosphate","pubchem_id":"","inchi_key":"","kegg_id":"C00575","other_id":"","other_id_type":"","ri":"3.21","ri_type":"","moverz_quant":"328.0478","":""},{"Metabolite":"Adipic acid","pubchem_id":"","inchi_key":"","kegg_id":"C06104","other_id":"","other_id_type":"","ri":"3.87","ri_type":"","moverz_quant":"145.0515","":""},{"Metabolite":"Allantoin","pubchem_id":"","inchi_key":"","kegg_id":"C01551","other_id":"","other_id_type":"","ri":"0.88","ri_type":"","moverz_quant":"157.0372","":""},{"Metabolite":"Alpha-Aminoadipate","pubchem_id":"","inchi_key":"","kegg_id":"C00956","other_id":"","other_id_type":"","ri":"0.93","ri_type":"","moverz_quant":"162.0767","":""},{"Metabolite":"Alpha-D-Glucose 1-Phosphate (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00103","other_id":"","other_id_type":"","ri":"0.92","ri_type":"","moverz_quant":"261.0373","":""},{"Metabolite":"alpha-Ketoglutaric acid","pubchem_id":"","inchi_key":"","kegg_id":"C00026","other_id":"","other_id_type":"","ri":"1.33","ri_type":"","moverz_quant":"145.0144","":""},{"Metabolite":"Azelaic Acid","pubchem_id":"","inchi_key":"","kegg_id":"C08261","other_id":"","other_id_type":"","ri":"6.38","ri_type":"","moverz_quant":"187.0994","":""},{"Metabolite":"Beta-N-Acetylglucosamine (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C03878","other_id":"","other_id_type":"","ri":"0.94","ri_type":"","moverz_quant":"222.0972","":""},{"Metabolite":"beta-Pseudouridine","pubchem_id":"","inchi_key":"","kegg_id":"C02067","other_id":"","other_id_type":"","ri":"1.17","ri_type":"","moverz_quant":"243.0625","":""},{"Metabolite":"Cadaverine","pubchem_id":"","inchi_key":"","kegg_id":"C01672","other_id":"","other_id_type":"","ri":"0.71","ri_type":"","moverz_quant":"103.1234","":""},{"Metabolite":"Capryloyl glycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"7.38","ri_type":"","moverz_quant":"202.1443","":""},{"Metabolite":"cis-Aconitic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00417","other_id":"","other_id_type":"","ri":"2.02","ri_type":"","moverz_quant":"173.0092","":""},{"Metabolite":"Citrulline","pubchem_id":"","inchi_key":"","kegg_id":"C00327","other_id":"","other_id_type":"","ri":"0.87","ri_type":"","moverz_quant":"174.0895","":""},{"Metabolite":"Creatine","pubchem_id":"","inchi_key":"","kegg_id":"C00300","other_id":"","other_id_type":"","ri":"0.89","ri_type":"","moverz_quant":"132.0771","":""},{"Metabolite":"Creatinine","pubchem_id":"","inchi_key":"","kegg_id":"C00791","other_id":"","other_id_type":"","ri":"0.84","ri_type":"","moverz_quant":"114.067","":""},{"Metabolite":"Cystathionine","pubchem_id":"","inchi_key":"","kegg_id":"C02291","other_id":"","other_id_type":"","ri":"0.81","ri_type":"","moverz_quant":"223.0751","":""},{"Metabolite":"Cytidine","pubchem_id":"","inchi_key":"","kegg_id":"C00475","other_id":"","other_id_type":"","ri":"0.91","ri_type":"","moverz_quant":"242.0819","":""},{"Metabolite":"Cytidine 2',3'-Cyclic Mono-Phos-Phate","pubchem_id":"","inchi_key":"","kegg_id":"C02354","other_id":"","other_id_type":"","ri":"0.88","ri_type":"","moverz_quant":"306.0493","":""},{"Metabolite":"Cytosine","pubchem_id":"","inchi_key":"","kegg_id":"C00380","other_id":"","other_id_type":"","ri":"0.83","ri_type":"","moverz_quant":"112.0507","":""},{"Metabolite":"D-Arabitol (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"D00061","other_id":"","other_id_type":"","ri":"0.87","ri_type":"","moverz_quant":"151.0629","":""},{"Metabolite":"Deoxycarnitine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"0.86","ri_type":"","moverz_quant":"146.118","":""},{"Metabolite":"Deoxyuridine","pubchem_id":"","inchi_key":"","kegg_id":"C00526","other_id":"","other_id_type":"","ri":"2.39","ri_type":"","moverz_quant":"227.0698","":""},{"Metabolite":"D-Galactonic acid (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00880","other_id":"","other_id_type":"","ri":"0.91","ri_type":"","moverz_quant":"195.0532","":""},{"Metabolite":"D-Galacturonic acid (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00333","other_id":"","other_id_type":"","ri":"0.92","ri_type":"","moverz_quant":"193.0371","":""},{"Metabolite":"D-Glucono-1,5-Lactone","pubchem_id":"","inchi_key":"","kegg_id":"C00198","other_id":"","other_id_type":"","ri":"0.89","ri_type":"","moverz_quant":"179.0548","":""},{"Metabolite":"D-Glucose 6-Phosphate","pubchem_id":"","inchi_key":"","kegg_id":"C03251","other_id":"","other_id_type":"","ri":"1","ri_type":"","moverz_quant":"259.0153","":""},{"Metabolite":"D-Glucose (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00031","other_id":"","other_id_type":"","ri":"0.9","ri_type":"","moverz_quant":"179.0562","":""},{"Metabolite":"D-Gulonic Acid Gama-Lactone","pubchem_id":"","inchi_key":"","kegg_id":"C00800","other_id":"","other_id_type":"","ri":"0.89","ri_type":"","moverz_quant":"177.042","":""},{"Metabolite":"Dihydro-5-methyl-2,4(1H,3H)-pyrimidinedione","pubchem_id":"","inchi_key":"","kegg_id":"C00906","other_id":"","other_id_type":"","ri":"2.38","ri_type":"","moverz_quant":"129.0662","":""},{"Metabolite":"D-Mannosamine (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C03570","other_id":"","other_id_type":"","ri":"0.8","ri_type":"","moverz_quant":"180.0868","":""},{"Metabolite":"D-Pantothenic Acid","pubchem_id":"","inchi_key":"","kegg_id":"C12276","other_id":"","other_id_type":"","ri":"3.65","ri_type":"","moverz_quant":"220.1183","":""},{"Metabolite":"D-Ribose (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00121","other_id":"","other_id_type":"","ri":"0.92","ri_type":"","moverz_quant":"149.0465","":""},{"Metabolite":"D-Sorbitol (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00794","other_id":"","other_id_type":"","ri":"0.87","ri_type":"","moverz_quant":"181.0733","":""},{"Metabolite":"Erucamide","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"10.61","ri_type":"","moverz_quant":"338.3438","":""},{"Metabolite":"Erucic Acid","pubchem_id":"","inchi_key":"","kegg_id":"C08316","other_id":"","other_id_type":"","ri":"10.12","ri_type":"","moverz_quant":"339.3254","":""},{"Metabolite":"Ethylmalonic Acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.18","ri_type":"","moverz_quant":"131.0349","":""},{"Metabolite":"Ferulate","pubchem_id":"","inchi_key":"","kegg_id":"C01494","other_id":"","other_id_type":"","ri":"5.34","ri_type":"","moverz_quant":"195.0632","":""},{"Metabolite":"Fumarate","pubchem_id":"","inchi_key":"","kegg_id":"C00122","other_id":"","other_id_type":"","ri":"1.33","ri_type":"","moverz_quant":"115.0046","":""},{"Metabolite":"Glutamic acid (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00025","other_id":"","other_id_type":"","ri":"0.87","ri_type":"","moverz_quant":"146.0477","":""},{"Metabolite":"Glutamine","pubchem_id":"","inchi_key":"","kegg_id":"C00064","other_id":"","other_id_type":"","ri":"0.85","ri_type":"","moverz_quant":"145.0632","":""},{"Metabolite":"Glutarate","pubchem_id":"","inchi_key":"","kegg_id":"C00489","other_id":"","other_id_type":"","ri":"2.84","ri_type":"","moverz_quant":"131.0349","":""},{"Metabolite":"Glycine","pubchem_id":"","inchi_key":"","kegg_id":"C00037","other_id":"","other_id_type":"","ri":"0.83","ri_type":"","moverz_quant":"74.0254","":""},{"Metabolite":"Glycolic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00160","other_id":"","other_id_type":"","ri":"0.95","ri_type":"","moverz_quant":"75.0099","":""},{"Metabolite":"Guanidinoacetate","pubchem_id":"","inchi_key":"","kegg_id":"C00581","other_id":"","other_id_type":"","ri":"0.83","ri_type":"","moverz_quant":"118.0612","":""},{"Metabolite":"Guanosine 3',5'-Cyclic Monophosphate","pubchem_id":"","inchi_key":"","kegg_id":"C00942","other_id":"","other_id_type":"","ri":"3.06","ri_type":"","moverz_quant":"344.043","":""},{"Metabolite":"Hippurate","pubchem_id":"","inchi_key":"","kegg_id":"C01586","other_id":"","other_id_type":"","ri":"4.45","ri_type":"","moverz_quant":"178.054","":""},{"Metabolite":"Histamine","pubchem_id":"","inchi_key":"","kegg_id":"C00388","other_id":"","other_id_type":"","ri":"0.71","ri_type":"","moverz_quant":"112.087","":""},{"Metabolite":"Homocitrulline","pubchem_id":"","inchi_key":"","kegg_id":"C02427","other_id":"","other_id_type":"","ri":"0.91","ri_type":"","moverz_quant":"188.1071","":""},{"Metabolite":"Homovanillic acid","pubchem_id":"","inchi_key":"","kegg_id":"C05582","other_id":"","other_id_type":"","ri":"4.81","ri_type":"","moverz_quant":"183.0634","":""},{"Metabolite":"Homovanillic acid sulfate","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.25","ri_type":"","moverz_quant":"261.0093","":""},{"Metabolite":"Hypotaurine","pubchem_id":"","inchi_key":"","kegg_id":"C00519","other_id":"","other_id_type":"","ri":"0.86","ri_type":"","moverz_quant":"108.0133","":""},{"Metabolite":"Indole-3-Acetate","pubchem_id":"","inchi_key":"","kegg_id":"C00954","other_id":"","other_id_type":"","ri":"5.84","ri_type":"","moverz_quant":"176.0712","":""},{"Metabolite":"Indole-3-Carboxaldehyde","pubchem_id":"","inchi_key":"","kegg_id":"C08493","other_id":"","other_id_type":"","ri":"5.6","ri_type":"","moverz_quant":"146.0603","":""},{"Metabolite":"Indole-3-lactic acid","pubchem_id":"","inchi_key":"","kegg_id":"C02043","other_id":"","other_id_type":"","ri":"5.41","ri_type":"","moverz_quant":"206.085","":""},{"Metabolite":"Inosine","pubchem_id":"","inchi_key":"","kegg_id":"C00294","other_id":"","other_id_type":"","ri":"2.65","ri_type":"","moverz_quant":"267.0727","":""},{"Metabolite":"Isocaproylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"5.57","ri_type":"","moverz_quant":"172.1007","":""},{"Metabolite":"Isoleucine","pubchem_id":"","inchi_key":"","kegg_id":"C00407","other_id":"","other_id_type":"","ri":"2.08","ri_type":"","moverz_quant":"132.1023","":""},{"Metabolite":"Itaconic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00490","other_id":"","other_id_type":"","ri":"2.01","ri_type":"","moverz_quant":"129.0193","":""},{"Metabolite":"Kynurenic acid","pubchem_id":"","inchi_key":"","kegg_id":"C01717","other_id":"","other_id_type":"","ri":"4.45","ri_type":"","moverz_quant":"190.0503","":""},{"Metabolite":"Lactic acid","pubchem_id":"","inchi_key":"","kegg_id":"C01432","other_id":"","other_id_type":"","ri":"1.28","ri_type":"","moverz_quant":"89.0251","":""},{"Metabolite":"L-Arginine","pubchem_id":"","inchi_key":"","kegg_id":"C00062","other_id":"","other_id_type":"","ri":"0.78","ri_type":"","moverz_quant":"175.1199","":""},{"Metabolite":"L-Asparagine","pubchem_id":"","inchi_key":"","kegg_id":"C00152","other_id":"","other_id_type":"","ri":"0.82","ri_type":"","moverz_quant":"133.0609","":""},{"Metabolite":"L-Aspartic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00049","other_id":"","other_id_type":"","ri":"0.93","ri_type":"","moverz_quant":"132.0319","":""},{"Metabolite":"L-Carnitine","pubchem_id":"","inchi_key":"","kegg_id":"C00318","other_id":"","other_id_type":"","ri":"0.83","ri_type":"","moverz_quant":"162.1129","":""},{"Metabolite":"Leucine","pubchem_id":"","inchi_key":"","kegg_id":"C00123","other_id":"","other_id_type":"","ri":"2.26","ri_type":"","moverz_quant":"132.1022","":""},{"Metabolite":"L-Glutamine","pubchem_id":"","inchi_key":"","kegg_id":"C00064","other_id":"","other_id_type":"","ri":"0.83","ri_type":"","moverz_quant":"147.0765","":""},{"Metabolite":"L-Homoarginine","pubchem_id":"","inchi_key":"","kegg_id":"C01924","other_id":"","other_id_type":"","ri":"0.84","ri_type":"","moverz_quant":"189.1342","":""},{"Metabolite":"L-Methionine","pubchem_id":"","inchi_key":"","kegg_id":"C00073","other_id":"","other_id_type":"","ri":"1.33","ri_type":"","moverz_quant":"150.0586","":""},{"Metabolite":"L-Phenylalanine","pubchem_id":"","inchi_key":"","kegg_id":"C00079","other_id":"","other_id_type":"","ri":"3.25","ri_type":"","moverz_quant":"166.0866","":""},{"Metabolite":"L-Pyroglutamic acid","pubchem_id":"","inchi_key":"","kegg_id":"C01879","other_id":"","other_id_type":"","ri":"1.63","ri_type":"","moverz_quant":"130.0501","":""},{"Metabolite":"L-Serine","pubchem_id":"","inchi_key":"","kegg_id":"C00065","other_id":"","other_id_type":"","ri":"0.81","ri_type":"","moverz_quant":"106.0502","":""},{"Metabolite":"L-Threonine (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00188","other_id":"","other_id_type":"","ri":"0.84","ri_type":"","moverz_quant":"120.0655","":""},{"Metabolite":"Lysine","pubchem_id":"","inchi_key":"","kegg_id":"C00047","other_id":"","other_id_type":"","ri":"0.74","ri_type":"","moverz_quant":"147.1133","":""},{"Metabolite":"Maltotriose","pubchem_id":"","inchi_key":"","kegg_id":"C01835","other_id":"","other_id_type":"","ri":"0.94","ri_type":"","moverz_quant":"503.1654","":""},{"Metabolite":"Mannitol (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00392","other_id":"","other_id_type":"","ri":"0.87","ri_type":"","moverz_quant":"183.0862","":""},{"Metabolite":"Methyl Beta-D-Galactoside","pubchem_id":"","inchi_key":"","kegg_id":"C03619","other_id":"","other_id_type":"","ri":"0.88","ri_type":"","moverz_quant":"193.0716","":""},{"Metabolite":"Methyl Indole-3-Acetate","pubchem_id":"","inchi_key":"","kegg_id":"C20635","other_id":"","other_id_type":"","ri":"6.78","ri_type":"","moverz_quant":"190.0864","":""},{"Metabolite":"Methylsuccinic acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.32","ri_type":"","moverz_quant":"131.0348","":""},{"Metabolite":"N-(2-Furoyl)glycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.34","ri_type":"","moverz_quant":"170.0449","":""},{"Metabolite":"N-(3-Indolylacetyl)-L-alanine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"5.56","ri_type":"","moverz_quant":"247.1084","":""},{"Metabolite":"N-(3-Phenylpropionyl)glycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"5.69","ri_type":"","moverz_quant":"206.0848","":""},{"Metabolite":"N-Acetyl-Dl-Glutamic Acid","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"1.74","ri_type":"","moverz_quant":"190.0714","":""},{"Metabolite":"N-Acetyl-Dl-Methionine","pubchem_id":"","inchi_key":"","kegg_id":"C02712","other_id":"","other_id_type":"","ri":"4.14","ri_type":"","moverz_quant":"192.0694","":""},{"Metabolite":"N-Acetyl-Dl-Serine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"1.12","ri_type":"","moverz_quant":"146.0473","":""},{"Metabolite":"N-Acetyl-D-Mannosamine (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00645","other_id":"","other_id_type":"","ri":"0.92","ri_type":"","moverz_quant":"220.0784","":""},{"Metabolite":"N-Acetylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"1.19","ri_type":"","moverz_quant":"116.0365","":""},{"Metabolite":"N-Acetyl-L-Alanine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"1.9","ri_type":"","moverz_quant":"130.0523","":""},{"Metabolite":"N-Acetyl-L-aspartic acid","pubchem_id":"","inchi_key":"","kegg_id":"C01042","other_id":"","other_id_type":"","ri":"1.29","ri_type":"","moverz_quant":"174.0419","":""},{"Metabolite":"N-Acetyl-L-Leucine","pubchem_id":"","inchi_key":"","kegg_id":"C02710","other_id":"","other_id_type":"","ri":"5.41","ri_type":"","moverz_quant":"172.0992","":""},{"Metabolite":"N-Acetyl-L-tyrosine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.12","ri_type":"","moverz_quant":"224.0925","":""},{"Metabolite":"N-Acetylneuraminate","pubchem_id":"","inchi_key":"","kegg_id":"C19910","other_id":"","other_id_type":"","ri":"1.01","ri_type":"","moverz_quant":"308.0982","":""},{"Metabolite":"N-Acetyltryptophan","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"5.58","ri_type":"","moverz_quant":"245.096","":""},{"Metabolite":"N-Alpha-Acetyl-L-Asparagine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"0.9","ri_type":"","moverz_quant":"175.0715","":""},{"Metabolite":"N-alpha-Acetyl-L-Lysine","pubchem_id":"","inchi_key":"","kegg_id":"C12989","other_id":"","other_id_type":"","ri":"0.95","ri_type":"","moverz_quant":"189.1236","":""},{"Metabolite":"N-Butyrylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.26","ri_type":"","moverz_quant":"146.0814","":""},{"Metabolite":"N-Caproylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"5.69","ri_type":"","moverz_quant":"174.1175","":""},{"Metabolite":"N-(Cinnamoyl)glycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"5.82","ri_type":"","moverz_quant":"206.0818","":""},{"Metabolite":"Nepsilon,Nepsilon,Nepsilon-Trimethyllysine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"0.76","ri_type":"","moverz_quant":"189.16","":""},{"Metabolite":"N-Formyl-L-methionine","pubchem_id":"","inchi_key":"","kegg_id":"C03145","other_id":"","other_id_type":"","ri":"3.69","ri_type":"","moverz_quant":"176.0396","":""},{"Metabolite":"Nicotinamide","pubchem_id":"","inchi_key":"","kegg_id":"C00153","other_id":"","other_id_type":"","ri":"1.4","ri_type":"","moverz_quant":"123.0556","":""},{"Metabolite":"Nicotinuric acid","pubchem_id":"","inchi_key":"","kegg_id":"C05380","other_id":"","other_id_type":"","ri":"2.63","ri_type":"","moverz_quant":"179.0471","":""},{"Metabolite":"N-Isobutyrylglycine/butyrylglycine (coelute)","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"3.2","ri_type":"","moverz_quant":"144.0683","":""},{"Metabolite":"N-Isovaleroylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.29","ri_type":"","moverz_quant":"160.0972","":""},{"Metabolite":"N-Methyl-L-Glutamate (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C01046","other_id":"","other_id_type":"","ri":"0.9","ri_type":"","moverz_quant":"160.0611","":""},{"Metabolite":"N,N-Dimethylglycine (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C01026","other_id":"","other_id_type":"","ri":"0.85","ri_type":"","moverz_quant":"104.0707","":""},{"Metabolite":"O-Acetyl-L-Serine (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C00979","other_id":"","other_id_type":"","ri":"0.84","ri_type":"","moverz_quant":"148.0608","":""},{"Metabolite":"Orotic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00295","other_id":"","other_id_type":"","ri":"1.23","ri_type":"","moverz_quant":"155.0113","":""},{"Metabolite":"Pantothenic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00864","other_id":"","other_id_type":"","ri":"3.62","ri_type":"","moverz_quant":"218.1035","":""},{"Metabolite":"p-Coumaric acid","pubchem_id":"","inchi_key":"","kegg_id":"C00811","other_id":"","other_id_type":"","ri":"5.19","ri_type":"","moverz_quant":"165.0552","":""},{"Metabolite":"Phenylacetic acid","pubchem_id":"","inchi_key":"","kegg_id":"C07086","other_id":"","other_id_type":"","ri":"5.89","ri_type":"","moverz_quant":"135.0466","":""},{"Metabolite":"Phenylacetylglycine","pubchem_id":"","inchi_key":"","kegg_id":"C05598","other_id":"","other_id_type":"","ri":"4.86","ri_type":"","moverz_quant":"194.0813","":""},{"Metabolite":"Phenylpyruvic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00166","other_id":"","other_id_type":"","ri":"5.08","ri_type":"","moverz_quant":"163.0416","":""},{"Metabolite":"Pimelic acid","pubchem_id":"","inchi_key":"","kegg_id":"C02656","other_id":"","other_id_type":"","ri":"4.78","ri_type":"","moverz_quant":"159.0662","":""},{"Metabolite":"Pipecolate","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"1.2","ri_type":"","moverz_quant":"130.0866","":""},{"Metabolite":"Proline","pubchem_id":"","inchi_key":"","kegg_id":"C00148","other_id":"","other_id_type":"","ri":"0.93","ri_type":"","moverz_quant":"116.0706","":""},{"Metabolite":"Riboflavin","pubchem_id":"","inchi_key":"","kegg_id":"C00255","other_id":"","other_id_type":"","ri":"4.96","ri_type":"","moverz_quant":"377.1458","":""},{"Metabolite":"Sebacic acid","pubchem_id":"","inchi_key":"","kegg_id":"C08277","other_id":"","other_id_type":"","ri":"6.92","ri_type":"","moverz_quant":"201.1153","":""},{"Metabolite":"SN-glycero-3-Phosphocholine","pubchem_id":"","inchi_key":"","kegg_id":"D07349","other_id":"","other_id_type":"","ri":"0.85","ri_type":"","moverz_quant":"258.1103","":""},{"Metabolite":"Spermidine","pubchem_id":"","inchi_key":"","kegg_id":"C00315","other_id":"","other_id_type":"","ri":"0.7","ri_type":"","moverz_quant":"146.1653","":""},{"Metabolite":"Stachyose (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C01613","other_id":"","other_id_type":"","ri":"0.95","ri_type":"","moverz_quant":"665.2143","":""},{"Metabolite":"Suberic Acid","pubchem_id":"","inchi_key":"","kegg_id":"C08278","other_id":"","other_id_type":"","ri":"5.63","ri_type":"","moverz_quant":"173.0831","":""},{"Metabolite":"Suberylglycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.71","ri_type":"","moverz_quant":"232.1187","":""},{"Metabolite":"Succinic acid","pubchem_id":"","inchi_key":"","kegg_id":"C00042","other_id":"","other_id_type":"","ri":"1.75","ri_type":"","moverz_quant":"117.0194","":""},{"Metabolite":"Syringic acid","pubchem_id":"","inchi_key":"","kegg_id":"C10833","other_id":"","other_id_type":"","ri":"4.77","ri_type":"","moverz_quant":"197.0471","":""},{"Metabolite":"Taurine","pubchem_id":"","inchi_key":"","kegg_id":"C00245","other_id":"","other_id_type":"","ri":"0.85","ri_type":"","moverz_quant":"124.0078","":""},{"Metabolite":"Thymidine","pubchem_id":"","inchi_key":"","kegg_id":"C00214","other_id":"","other_id_type":"","ri":"3.25","ri_type":"","moverz_quant":"241.0851","":""},{"Metabolite":"Tiglyl glycine","pubchem_id":"","inchi_key":"","kegg_id":"","other_id":"","other_id_type":"","ri":"4.04","ri_type":"","moverz_quant":"158.0815","":""},{"Metabolite":"Trigonelline","pubchem_id":"","inchi_key":"","kegg_id":"C01004","other_id":"","other_id_type":"","ri":"0.9","ri_type":"","moverz_quant":"138.0548","":""},{"Metabolite":"Trimethylamine N-oxide","pubchem_id":"","inchi_key":"","kegg_id":"C01104","other_id":"","other_id_type":"","ri":"0.85","ri_type":"","moverz_quant":"76.076","":""},{"Metabolite":"Tryptophan","pubchem_id":"","inchi_key":"","kegg_id":"C00078","other_id":"","other_id_type":"","ri":"3.88","ri_type":"","moverz_quant":"205.0975","":""},{"Metabolite":"Turanose (or isomers)","pubchem_id":"","inchi_key":"","kegg_id":"C19636","other_id":"","other_id_type":"","ri":"0.9","ri_type":"","moverz_quant":"341.1115","":""},{"Metabolite":"Tyrosine","pubchem_id":"","inchi_key":"","kegg_id":"C00082","other_id":"","other_id_type":"","ri":"1.71","ri_type":"","moverz_quant":"182.0815","":""},{"Metabolite":"Uracil","pubchem_id":"","inchi_key":"","kegg_id":"C00106","other_id":"","other_id_type":"","ri":"1.21","ri_type":"","moverz_quant":"111.021","":""},{"Metabolite":"Uridine","pubchem_id":"","inchi_key":"","kegg_id":"C00299","other_id":"","other_id_type":"","ri":"1.77","ri_type":"","moverz_quant":"243.0647","":""},{"Metabolite":"Valine","pubchem_id":"","inchi_key":"","kegg_id":"C00183","other_id":"","other_id_type":"","ri":"1.16","ri_type":"","moverz_quant":"118.0865","":""},{"Metabolite":"Valproic acid","pubchem_id":"","inchi_key":"","kegg_id":"C07185","other_id":"","other_id_type":"","ri":"8.03","ri_type":"","moverz_quant":"143.1088","":""},{"Metabolite":"Vanillic acid","pubchem_id":"","inchi_key":"","kegg_id":"C06672","other_id":"","other_id_type":"","ri":"4.59","ri_type":"","moverz_quant":"167.0367","":""},{"Metabolite":"Xanthosine","pubchem_id":"","inchi_key":"","kegg_id":"C01762","other_id":"","other_id_type":"","ri":"2.99","ri_type":"","moverz_quant":"285.0825","":""}]
}

}