{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002869","ANALYSIS_ID":"AN004702","VERSION":"1","CREATED_ON":"September 19, 2023, 3:16 pm"},

"PROJECT":{"PROJECT_TITLE":"Identifying Biodegradation Pathways of Cetrimonium Bromide (CTAB)","PROJECT_SUMMARY":"We combined metabolome and metagenome to analyze the CTAB biodegradation pathways.","INSTITUTE":"Arizona State University","LAST_NAME":"Zheng","FIRST_NAME":"Chenwei","ADDRESS":"Arizona State University, Tempe Campus","EMAIL":"czheng28@asu.edu","PHONE":"4802804450"},

"STUDY":{"STUDY_TITLE":"Identifying Biodegradation Pathways of Cetrimonium Bromide (CTAB) Using Metagenome, Metatranscriptome, and Metabolome Tri-omics Integration","STUDY_SUMMARY":"Traditional research on biodegradation of emerging organic pollutants involves slow and labor-intensive experimentation. Currently, fast-developing metagenome, metatranscriptome, and metabolome technologies promise to expedite mechanistic research on biodegradation of emerging organic pollutants. Integrating the metagenome, metatranscriptome, and metabolome (i.e., tri-omics) makes it possible to link gene abundance and expression with the biotransformation of the contaminant and the formation of metabolites from this biotransformation. In this study, we used this tri-omics approach to study the biotransformation pathways for cetyltrimethylammonium bromide (CTAB) under aerobic conditions. The tri-omics analysis showed that CTAB undergoes three parallel first-step mono-/di-oxygenations ; intermediate metabolites and expressed enzymes were identified for all three pathways, and the beta-carbon mono-/di-oxygenation is a novel pathway. Four metabolites – palmitic acid, trimethylamine N-oxide (TMAO), myristic acid, and betaine – were the key identified biodegradation intermediates of CTAB, and they were associated with first-step mono-/di-oxygenations This tri-omics approach with CTAB demonstrates its power for identifying promising paths for future research on the biodegradation of complex organics by microbial communities.","INSTITUTE":"Arizona State University","LAST_NAME":"Zheng","FIRST_NAME":"Chenwei","ADDRESS":"Arizona State University, Tempe Campus","EMAIL":"czheng28@asu.edu","PHONE":"4802804450"},

"SUBJECT":{"SUBJECT_TYPE":"Water sample"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"MR",
"Sample ID":"MR_A3",
"Factors":{"Treatment":"A"},
"Additional sample data":{"RAW_FILE_NAME":"neg-1.d","RAW_FILE_NAME":"pos-1.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_A3",
"Factors":{"Treatment":"A"},
"Additional sample data":{"RAW_FILE_NAME":"neg-2.d","RAW_FILE_NAME":"pos-2.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_C1",
"Factors":{"Treatment":"C"},
"Additional sample data":{"RAW_FILE_NAME":"neg-3.d","RAW_FILE_NAME":"pos-3.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_D1",
"Factors":{"Treatment":"D"},
"Additional sample data":{"RAW_FILE_NAME":"neg-4.d","RAW_FILE_NAME":"pos-4.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_C1",
"Factors":{"Treatment":"C"},
"Additional sample data":{"RAW_FILE_NAME":"neg-5.d","RAW_FILE_NAME":"pos-5.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_C3",
"Factors":{"Treatment":"C"},
"Additional sample data":{"RAW_FILE_NAME":"neg-6.d","RAW_FILE_NAME":"pos-6.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_D3",
"Factors":{"Treatment":"D"},
"Additional sample data":{"RAW_FILE_NAME":"neg-7.d","RAW_FILE_NAME":"pos-7.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_C4",
"Factors":{"Treatment":"C"},
"Additional sample data":{"RAW_FILE_NAME":"neg-8.d","RAW_FILE_NAME":"pos-8.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_B2",
"Factors":{"Treatment":"B"},
"Additional sample data":{"RAW_FILE_NAME":"neg-9.d","RAW_FILE_NAME":"pos-9.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_A1",
"Factors":{"Treatment":"A"},
"Additional sample data":{"RAW_FILE_NAME":"neg-10.d","RAW_FILE_NAME":"pos-10.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_A2",
"Factors":{"Treatment":"A"},
"Additional sample data":{"RAW_FILE_NAME":"neg-11.d","RAW_FILE_NAME":"pos-11.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_B2",
"Factors":{"Treatment":"B"},
"Additional sample data":{"RAW_FILE_NAME":"neg-12.d","RAW_FILE_NAME":"pos-12.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_D2",
"Factors":{"Treatment":"D"},
"Additional sample data":{"RAW_FILE_NAME":"neg-13.d","RAW_FILE_NAME":"pos-13.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_D3",
"Factors":{"Treatment":"D"},
"Additional sample data":{"RAW_FILE_NAME":"neg-14.d","RAW_FILE_NAME":"pos-14.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_C2",
"Factors":{"Treatment":"C"},
"Additional sample data":{"RAW_FILE_NAME":"neg-15.d","RAW_FILE_NAME":"pos-15.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_D1",
"Factors":{"Treatment":"D"},
"Additional sample data":{"RAW_FILE_NAME":"neg-16.d","RAW_FILE_NAME":"pos-16.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_C3",
"Factors":{"Treatment":"C"},
"Additional sample data":{"RAW_FILE_NAME":"neg-17.d","RAW_FILE_NAME":"pos-17.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_B1",
"Factors":{"Treatment":"B"},
"Additional sample data":{"RAW_FILE_NAME":"neg-18.d","RAW_FILE_NAME":"pos-18.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_D2",
"Factors":{"Treatment":"D"},
"Additional sample data":{"RAW_FILE_NAME":"neg-19.d","RAW_FILE_NAME":"pos-19.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_B3",
"Factors":{"Treatment":"B"},
"Additional sample data":{"RAW_FILE_NAME":"neg-20.d","RAW_FILE_NAME":"pos-20.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_B3",
"Factors":{"Treatment":"B"},
"Additional sample data":{"RAW_FILE_NAME":"neg-21.d","RAW_FILE_NAME":"pos-21.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_A1",
"Factors":{"Treatment":"A"},
"Additional sample data":{"RAW_FILE_NAME":"neg-22.d","RAW_FILE_NAME":"pos-22.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_B1",
"Factors":{"Treatment":"B"},
"Additional sample data":{"RAW_FILE_NAME":"neg-23.d","RAW_FILE_NAME":"pos-23.d"}
},
{
"Subject ID":"PP",
"Sample ID":"PP_A2",
"Factors":{"Treatment":"A"},
"Additional sample data":{"RAW_FILE_NAME":"neg-24.d","RAW_FILE_NAME":"pos-24.d"}
},
{
"Subject ID":"MR",
"Sample ID":"MR_C2",
"Factors":{"Treatment":"C"},
"Additional sample data":{"RAW_FILE_NAME":"neg-25.d","RAW_FILE_NAME":"pos-25.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Bacteria was grown in the medium containing CTAB. The water sample was collected with a syringe and filtered for storage.","SAMPLE_TYPE":"Bacterial cells"},

"TREATMENT":{"TREATMENT_SUMMARY":"Reactors are set under different conditions: composite membrane (MR) or polypropylene membrane (PP). The biofilms were treated under different conditions: A: with 160mg/L CTAB + 3g/L NH4+, low O2 pressure, B: 160mg/L CTAB + 3g/L NH4+, high O2 pressure, C: 160mg/L CTAB, high O2 pressure, D:400mg/L CTAB, high O2 pressure."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Liquid samples were filtered and stored in refrigerator before assay. Each sample was injected twice: 10 µL for analysis using negative ionization mode and 4 µL for analysis using positive ionization mode"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"LC-MS/MS platform (Agilent 1290 UPLC-6490 QQQ-MS)","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1290","COLUMN_NAME":"Waters XBridge BEH Amide (150 x 2.1 mm, 2.5um)","SOLVENT_A":"10 mM ammonium acetate, 10 mM ammonium hydroxide in 95% H2O/5% acetonitrile","SOLVENT_B":"10 mM ammonium acetate, 10 mM ammonium hydroxide in 95% acetonitrile/5% H2O","FLOW_GRADIENT":"After the initial 1-min isocratic elution of 90% B, the percentage of Solvent B was gradually decreased to 40% at t = 11 min. The composition of Solvent B was maintained at 40% for 4 min (t=15 min), and then the percentage of B gradually went back to 90%, to prepare for the next injection.","FLOW_RATE":"0.3 mL/min","COLUMN_TEMPERATURE":"40"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6490 QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"LC-MS/MS"},

"MS_METABOLITE_DATA":{
"Units":"counts per second",

"Data":[{"Metabolite":"1-Methyladenosine","MR_A3":"33.82","PP_A3":"40.73","MR_C1":"45.47","MR_D1":"4.77","PP_C1":"112.01","PP_C3":"","PP_D3":"2.75","MR_C4":"2.86","MR_B2":"42.94","PP_A1":"72.48","MR_A2":"40.77","PP_B2":"13.59","PP_D2":"86.75","MR_D3":"68.10","PP_C2":"3.67","PP_D1":"27.40","MR_C3":"","PP_B1":"94.66","MR_D2":"32.18","MR_B3":"66.82","PP_B3":"12.86","MR_A1":"45.00","MR_B1":"29.49","PP_A2":"60.42","MR_C2":"21.07"},{"Metabolite":"1-Methylhistidine","MR_A3":"70.52","PP_A3":"144.60","MR_C1":"94.36","MR_D1":"4322.71","PP_C1":"85.75","PP_C3":"83.90","PP_D3":"166.99","MR_C4":"20.67","MR_B2":"132.68","PP_A1":"12.98","MR_A2":"59.86","PP_B2":"146.91","PP_D2":"164.07","MR_D3":"268.89","PP_C2":"235.46","PP_D1":"106.78","MR_C3":"294.43","PP_B1":"15.30","MR_D2":"333.23","MR_B3":"21.10","PP_B3":"81.06","MR_A1":"23.96","MR_B1":"125.17","PP_A2":"86.60","MR_C2":"221.08"},{"Metabolite":"2/3-Aminoisobutyric acid/Dimethylglycine","MR_A3":"2981.54","PP_A3":"3797.94","MR_C1":"1525.91","MR_D1":"2981.32","PP_C1":"3640.60","PP_C3":"6103.61","PP_D3":"2707.15","MR_C4":"4014.15","MR_B2":"2202.48","PP_A1":"2764.18","MR_A2":"1936.85","PP_B2":"1730.14","PP_D2":"3568.73","MR_D3":"1972.48","PP_C2":"5278.80","PP_D1":"3337.35","MR_C3":"2383.98","PP_B1":"3601.33","MR_D2":"2775.83","MR_B3":"1315.00","PP_B3":"2635.61","MR_A1":"2430.27","MR_B1":"2676.21","PP_A2":"858.00","MR_C2":"1888.50"},{"Metabolite":"2-Aminoadipic acid","MR_A3":"812.71","PP_A3":"46.13","MR_C1":"34.53","MR_D1":"140.79","PP_C1":"51.10","PP_C3":"93.81","PP_D3":"23.08","MR_C4":"78.34","MR_B2":"54.98","PP_A1":"213.77","MR_A2":"60.16","PP_B2":"29.45","PP_D2":"32.84","MR_D3":"90.05","PP_C2":"16.03","PP_D1":"58.93","MR_C3":"45.62","PP_B1":"14.26","MR_D2":"213.29","MR_B3":"28.98","PP_B3":"39.82","MR_A1":"99.69","MR_B1":"235.94","PP_A2":"63.73","MR_C2":"60.10"},{"Metabolite":"2-Aminobutyric acid","MR_A3":"2706.66","PP_A3":"3926.10","MR_C1":"3653.70","MR_D1":"3893.97","PP_C1":"3514.40","PP_C3":"5827.03","PP_D3":"3946.28","MR_C4":"5888.95","MR_B2":"2422.63","PP_A1":"3792.06","MR_A2":"3008.10","PP_B2":"4399.74","PP_D2":"4210.55","MR_D3":"2372.03","PP_C2":"7206.90","PP_D1":"4237.23","MR_C3":"4287.33","PP_B1":"5105.23","MR_D2":"3371.16","MR_B3":"3012.01","PP_B3":"3030.37","MR_A1":"4224.85","MR_B1":"4606.38","PP_A2":"2980.14","MR_C2":"3334.95"},{"Metabolite":"2-Deoxyadenosine","MR_A3":"1163.44","PP_A3":"1037.00","MR_C1":"4984.39","MR_D1":"3832.20","PP_C1":"615.45","PP_C3":"1690.85","PP_D3":"3.42","MR_C4":"3187.92","MR_B2":"417.85","PP_A1":"1191.53","MR_A2":"488.68","PP_B2":"3860.36","PP_D2":"0.88","MR_D3":"3201.05","PP_C2":"2324.85","PP_D1":"151.09","MR_C3":"4788.89","PP_B1":"4856.35","MR_D2":"3164.56","MR_B3":"178.23","PP_B3":"3217.25","MR_A1":"1093.74","MR_B1":"351.63","PP_A2":"1145.05","MR_C2":"4856.28"},{"Metabolite":"2-Deoxycytidine","MR_A3":"5697.31","PP_A3":"15675.89","MR_C1":"11309.49","MR_D1":"19525.52","PP_C1":"18193.67","PP_C3":"39484.64","PP_D3":"191.56","MR_C4":"8562.76","MR_B2":"2199.36","PP_A1":"10268.98","MR_A2":"3533.05","PP_B2":"46504.31","PP_D2":"124.57","MR_D3":"14967.41","PP_C2":"28985.56","PP_D1":"255.52","MR_C3":"12654.46","PP_B1":"43988.35","MR_D2":"18538.56","MR_B3":"1469.22","PP_B3":"44178.58","MR_A1":"3631.15","MR_B1":"1242.44","PP_A2":"14745.34","MR_C2":"13655.75"},{"Metabolite":"2-deoxyguanosine","MR_A3":"1800.18","PP_A3":"1936.26","MR_C1":"6351.83","MR_D1":"15973.47","PP_C1":"4109.75","PP_C3":"10025.84","PP_D3":"158.08","MR_C4":"14367.83","MR_B2":"1200.51","PP_A1":"3691.29","MR_A2":"5424.55","PP_B2":"24327.18","PP_D2":"136.56","MR_D3":"11851.05","PP_C2":"7381.66","PP_D1":"257.85","MR_C3":"16759.95","PP_B1":"25841.77","MR_D2":"17644.91","MR_B3":"1206.79","PP_B3":"34344.02","MR_A1":"5218.57","MR_B1":"1775.17","PP_A2":"3983.83","MR_C2":"14939.62"},{"Metabolite":"2-Deoxyuridine","MR_A3":"86.91","PP_A3":"65.14","MR_C1":"6.60","MR_D1":"1.03","PP_C1":"266.37","PP_C3":"93.91","PP_D3":"108.30","MR_C4":"98.12","MR_B2":"49.93","PP_A1":"24.15","MR_A2":"48.99","PP_B2":"62.60","PP_D2":"1.28","MR_D3":"132.86","PP_C2":"25.33","PP_D1":"78.41","MR_C3":"28.24","PP_B1":"217.88","MR_D2":"5.05","MR_B3":"239.75","PP_B3":"34.39","MR_A1":"76.19","MR_B1":"309.13","PP_A2":"31.88","MR_C2":"197.77"},{"Metabolite":"2-Phenylglycinol","MR_A3":"65.00","PP_A3":"92.61","MR_C1":"0.60","MR_D1":"28.36","PP_C1":"24.48","PP_C3":"","PP_D3":"5.17","MR_C4":"18.15","MR_B2":"2.27","PP_A1":"58.19","MR_A2":"2.11","PP_B2":"3.36","PP_D2":"5.74","MR_D3":"4.59","PP_C2":"15.91","PP_D1":"6.22","MR_C3":"52.11","PP_B1":"3.89","MR_D2":"8.40","MR_B3":"18.62","PP_B3":"","MR_A1":"21.01","MR_B1":"95.19","PP_A2":"","MR_C2":"46.08"},{"Metabolite":"2-Pyrrolidinone","MR_A3":"122.45","PP_A3":"108.50","MR_C1":"327.90","MR_D1":"340.88","PP_C1":"261.22","PP_C3":"337.52","PP_D3":"136.19","MR_C4":"177.43","MR_B2":"36.19","PP_A1":"253.83","MR_A2":"366.21","PP_B2":"317.17","PP_D2":"70.34","MR_D3":"89.43","PP_C2":"299.38","PP_D1":"97.64","MR_C3":"202.32","PP_B1":"238.63","MR_D2":"244.00","MR_B3":"321.94","PP_B3":"168.44","MR_A1":"110.04","MR_B1":"129.94","PP_A2":"698.15","MR_C2":"83.04"},{"Metabolite":"3-Aminobutyric acid","MR_A3":"400.94","PP_A3":"314.76","MR_C1":"117.31","MR_D1":"216.15","PP_C1":"353.81","PP_C3":"462.27","PP_D3":"36.10","MR_C4":"101.47","MR_B2":"288.83","PP_A1":"201.03","MR_A2":"90.41","PP_B2":"316.35","PP_D2":"465.61","MR_D3":"336.86","PP_C2":"271.38","PP_D1":"121.36","MR_C3":"268.19","PP_B1":"159.38","MR_D2":"355.93","MR_B3":"","PP_B3":"192.12","MR_A1":"202.69","MR_B1":"77.87","PP_A2":"234.67","MR_C2":"357.20"},{"Metabolite":"3-hydroxyanthranilic acid","MR_A3":"70.39","PP_A3":"50.41","MR_C1":"36.01","MR_D1":"68.91","PP_C1":"91.08","PP_C3":"31.95","PP_D3":"35.72","MR_C4":"42.85","MR_B2":"27.48","PP_A1":"19.82","MR_A2":"52.73","PP_B2":"50.26","PP_D2":"21.98","MR_D3":"13.20","PP_C2":"47.26","PP_D1":"21.01","MR_C3":"79.15","PP_B1":"129.23","MR_D2":"144.66","MR_B3":"55.41","PP_B3":"52.26","MR_A1":"171.56","MR_B1":"40.22","PP_A2":"13.90","MR_C2":"145.32"},{"Metabolite":"3-hydroxykynurenine","MR_A3":"680.59","PP_A3":"800.94","MR_C1":"870.99","MR_D1":"1882.19","PP_C1":"481.05","PP_C3":"3167.50","PP_D3":"1165.91","MR_C4":"5892.99","MR_B2":"5846.02","PP_A1":"3338.04","MR_A2":"2380.97","PP_B2":"2809.08","PP_D2":"4316.42","MR_D3":"4162.09","PP_C2":"2994.77","PP_D1":"2410.86","MR_C3":"4610.42","PP_B1":"3955.92","MR_D2":"3580.62","MR_B3":"5044.94","PP_B3":"6405.32","MR_A1":"3683.90","MR_B1":"6343.82","PP_A2":"1145.87","MR_C2":"6982.88"},{"Metabolite":"3-Indolepropionic acid","MR_A3":"142.07","PP_A3":"54.02","MR_C1":"45.11","MR_D1":"8.03","PP_C1":"50.48","PP_C3":"57.81","PP_D3":"40.16","MR_C4":"125.58","MR_B2":"39.24","PP_A1":"34.17","MR_A2":"5.41","PP_B2":"25.41","PP_D2":"38.82","MR_D3":"36.27","PP_C2":"58.39","PP_D1":"136.40","MR_C3":"69.28","PP_B1":"85.72","MR_D2":"37.27","MR_B3":"179.87","PP_B3":"87.66","MR_A1":"62.72","MR_B1":"86.11","PP_A2":"0.72","MR_C2":"38.11"},{"Metabolite":"3-Nitrotyrosine","MR_A3":"49.12","PP_A3":"27.43","MR_C1":"92.72","MR_D1":"79.19","PP_C1":"27.15","PP_C3":"114.52","PP_D3":"44.22","MR_C4":"69.50","MR_B2":"86.53","PP_A1":"167.89","MR_A2":"115.02","PP_B2":"87.60","PP_D2":"43.84","MR_D3":"14.81","PP_C2":"17.27","PP_D1":"12.40","MR_C3":"346.57","PP_B1":"169.32","MR_D2":"66.25","MR_B3":"39.01","PP_B3":"41.45","MR_A1":"165.06","MR_B1":"118.88","PP_A2":"80.83","MR_C2":"134.63"},{"Metabolite":"4-Aminobutyric acid","MR_A3":"2183.61","PP_A3":"1339.38","MR_C1":"1503.08","MR_D1":"1931.56","PP_C1":"1246.05","PP_C3":"802.50","PP_D3":"1372.46","MR_C4":"2114.03","MR_B2":"1467.77","PP_A1":"2177.57","MR_A2":"1751.54","PP_B2":"1684.62","PP_D2":"1042.32","MR_D3":"2152.68","PP_C2":"1018.84","PP_D1":"652.43","MR_C3":"2341.12","PP_B1":"1458.10","MR_D2":"1660.06","MR_B3":"1208.60","PP_B3":"766.45","MR_A1":"2498.17","MR_B1":"2154.39","PP_A2":"2703.56","MR_C2":"2177.95"},{"Metabolite":"4-Aminophenol","MR_A3":"199.19","PP_A3":"234.62","MR_C1":"116.43","MR_D1":"36.58","PP_C1":"29.62","PP_C3":"82.71","PP_D3":"24.14","MR_C4":"110.95","MR_B2":"113.23","PP_A1":"46.10","MR_A2":"111.51","PP_B2":"86.95","PP_D2":"29.63","MR_D3":"164.67","PP_C2":"195.92","PP_D1":"104.36","MR_C3":"27.84","PP_B1":"26.78","MR_D2":"29.00","MR_B3":"188.77","PP_B3":"266.27","MR_A1":"169.57","MR_B1":"191.18","PP_A2":"203.99","MR_C2":"51.92"},{"Metabolite":"4-Imidazoleacetic acid","MR_A3":"249.00","PP_A3":"110.50","MR_C1":"147.96","MR_D1":"79.28","PP_C1":"207.47","PP_C3":"871.73","PP_D3":"113.87","MR_C4":"143.81","MR_B2":"81116.27","PP_A1":"122.86","MR_A2":"177.87","PP_B2":"211.01","PP_D2":"625.32","MR_D3":"311.93","PP_C2":"339.82","PP_D1":"291.03","MR_C3":"109.86","PP_B1":"289.54","MR_D2":"232.54","MR_B3":"115.95","PP_B3":"405.75","MR_A1":"174.28","MR_B1":"327.43","PP_A2":"71759.75","MR_C2":"93.78"},{"Metabolite":"4-Pyridoxic acid","MR_A3":"2283.53","PP_A3":"1600.47","MR_C1":"903.92","MR_D1":"732.48","PP_C1":"1421.21","PP_C3":"1162.60","PP_D3":"1443.41","MR_C4":"1916.41","MR_B2":"3752.46","PP_A1":"1986.21","MR_A2":"1899.80","PP_B2":"1703.55","PP_D2":"437.56","MR_D3":"1687.44","PP_C2":"2138.40","PP_D1":"973.83","MR_C3":"1499.73","PP_B1":"1503.19","MR_D2":"1571.44","MR_B3":"3174.12","PP_B3":"877.94","MR_A1":"2534.04","MR_B1":"1626.95","PP_A2":"1979.18","MR_C2":"2276.08"},{"Metabolite":"5-Aminolevulinic acid","MR_A3":"","PP_A3":"","MR_C1":"","MR_D1":"","PP_C1":"","PP_C3":"740.07","PP_D3":"423.70","MR_C4":"","MR_B2":"","PP_A1":"","MR_A2":"","PP_B2":"748.64","PP_D2":"","MR_D3":"","PP_C2":"","PP_D1":"","MR_C3":"","PP_B1":"367.21","MR_D2":"1461.28","MR_B3":"461.03","PP_B3":"342.44","MR_A1":"","MR_B1":"412.26","PP_A2":"474.31","MR_C2":"312.51"},{"Metabolite":"5-Hydroxytryptophan","MR_A3":"39.86","PP_A3":"127.84","MR_C1":"43.91","MR_D1":"109.41","PP_C1":"38.25","PP_C3":"99.51","PP_D3":"39.84","MR_C4":"50.61","MR_B2":"7.53","PP_A1":"52.75","MR_A2":"120.41","PP_B2":"8.06","PP_D2":"77.01","MR_D3":"240.71","PP_C2":"73.70","PP_D1":"31.41","MR_C3":"77.45","PP_B1":"33.01","MR_D2":"49.09","MR_B3":"33.94","PP_B3":"36.12","MR_A1":"19.84","MR_B1":"22.09","PP_A2":"9.32","MR_C2":"63.89"},{"Metabolite":"5-Methylcytidine","MR_A3":"511.52","PP_A3":"74.44","MR_C1":"50.72","MR_D1":"30.10","PP_C1":"29.09","PP_C3":"8.10","PP_D3":"","MR_C4":"","MR_B2":"49.80","PP_A1":"4.10","MR_A2":"148.45","PP_B2":"52.17","PP_D2":"56.77","MR_D3":"84.25","PP_C2":"80.03","PP_D1":"27.02","MR_C3":"11.49","PP_B1":"141.07","MR_D2":"42.91","MR_B3":"135.65","PP_B3":"20.38","MR_A1":"356.71","MR_B1":"54.82","PP_A2":"2.70","MR_C2":"206.55"},{"Metabolite":"6-Hydroxynicotinic acid","MR_A3":"170.93","PP_A3":"66.83","MR_C1":"146.88","MR_D1":"756.23","PP_C1":"117.65","PP_C3":"175.37","PP_D3":"279.78","MR_C4":"236.08","MR_B2":"837.13","PP_A1":"2237.44","MR_A2":"201.41","PP_B2":"170.59","PP_D2":"33.50","MR_D3":"153.21","PP_C2":"225.80","PP_D1":"611.74","MR_C3":"506.65","PP_B1":"114.99","MR_D2":"158.94","MR_B3":"270.17","PP_B3":"332.38","MR_A1":"236.89","MR_B1":"98.41","PP_A2":"122.24","MR_C2":"203.63"},{"Metabolite":"6-Methyl-DL-Tryptophan","MR_A3":"48.41","PP_A3":"39.69","MR_C1":"40.19","MR_D1":"93.00","PP_C1":"111.72","PP_C3":"65.85","PP_D3":"51.83","MR_C4":"243.31","MR_B2":"114.71","PP_A1":"158.65","MR_A2":"299.35","PP_B2":"88.68","PP_D2":"50.09","MR_D3":"60.39","PP_C2":"44.51","PP_D1":"42.84","MR_C3":"57.90","PP_B1":"64.19","MR_D2":"16.60","MR_B3":"276.50","PP_B3":"143.05","MR_A1":"68.82","MR_B1":"454.35","PP_A2":"48.88","MR_C2":"115.47"},{"Metabolite":"13C5-15N-Glutamic acid","MR_A3":"1856437.09","PP_A3":"1535779.73","MR_C1":"1594200.78","MR_D1":"1765893.41","PP_C1":"1304068.84","PP_C3":"1396426.98","PP_D3":"2032862.04","MR_C4":"1489894.68","MR_B2":"1518075.85","PP_A1":"1621035.23","MR_A2":"1606848.80","PP_B2":"1704967.15","PP_D2":"1785139.18","MR_D3":"1568249.81","PP_C2":"1740765.64","PP_D1":"1660846.01","MR_C3":"1607115.26","PP_B1":"1411237.58","MR_D2":"1479280.83","MR_B3":"1504525.95","PP_B3":"1487460.78","MR_A1":"1523966.06","MR_B1":"1507813.31","PP_A2":"1666683.91","MR_C2":"1702158.97"},{"Metabolite":"Acetamide","MR_A3":"13030.87","PP_A3":"44947.61","MR_C1":"34887.27","MR_D1":"32985.21","PP_C1":"168498.62","PP_C3":"46272.83","PP_D3":"83210.86","MR_C4":"631387.51","MR_B2":"154782.95","PP_A1":"152276.93","MR_A2":"19661.56","PP_B2":"","PP_D2":"195730.08","MR_D3":"23907.42","PP_C2":"62776.17","PP_D1":"43954.13","MR_C3":"28612.30","PP_B1":"155327.32","MR_D2":"","MR_B3":"70999.85","PP_B3":"30565.76","MR_A1":"21722.59","MR_B1":"","PP_A2":"","MR_C2":"30293.29"},{"Metabolite":"Acetohydroxamic acid","MR_A3":"754.70","PP_A3":"4470.49","MR_C1":"236.72","MR_D1":"456.88","PP_C1":"797.12","PP_C3":"1497.57","PP_D3":"1179.31","MR_C4":"684.49","MR_B2":"2017.10","PP_A1":"10016.70","MR_A2":"573.15","PP_B2":"3717.22","PP_D2":"4330.14","MR_D3":"527.69","PP_C2":"1790.62","PP_D1":"892.01","MR_C3":"641.70","PP_B1":"4003.12","MR_D2":"448.49","MR_B3":"1024.28","PP_B3":"4193.77","MR_A1":"885.16","MR_B1":"1098.32","PP_A2":"4260.79","MR_C2":"440.91"},{"Metabolite":"Acetylcarnitine","MR_A3":"4471.31","PP_A3":"3706.12","MR_C1":"19990.69","MR_D1":"52064.78","PP_C1":"4246.17","PP_C3":"3222.40","PP_D3":"4552.15","MR_C4":"19773.09","MR_B2":"3495.54","PP_A1":"4628.81","MR_A2":"4745.13","PP_B2":"4086.62","PP_D2":"2892.05","MR_D3":"58007.45","PP_C2":"4241.82","PP_D1":"3479.66","MR_C3":"17761.91","PP_B1":"2306.28","MR_D2":"47306.98","MR_B3":"2583.17","PP_B3":"3598.38","MR_A1":"3839.82","MR_B1":"3087.64","PP_A2":"3299.21","MR_C2":"18491.39"},{"Metabolite":"Acetylcholine","MR_A3":"108.16","PP_A3":"59.54","MR_C1":"49.31","MR_D1":"75.69","PP_C1":"497.26","PP_C3":"171.85","PP_D3":"76.06","MR_C4":"160.32","MR_B2":"74.50","PP_A1":"77.86","MR_A2":"49.01","PP_B2":"101.14","PP_D2":"36.35","MR_D3":"33.27","PP_C2":"68.32","PP_D1":"118.71","MR_C3":"72.99","PP_B1":"37.08","MR_D2":"45.11","MR_B3":"81.17","PP_B3":"77.93","MR_A1":"112.11","MR_B1":"59.45","PP_A2":"109.76","MR_C2":"83.09"},{"Metabolite":"Acetyl-CoA","MR_A3":"1.53","PP_A3":"26.25","MR_C1":"4.19","MR_D1":"22.03","PP_C1":"66.75","PP_C3":"6.01","PP_D3":"18.51","MR_C4":"6.48","MR_B2":"33.97","PP_A1":"","MR_A2":"42.41","PP_B2":"5.71","PP_D2":"62.63","MR_D3":"0.07","PP_C2":"104.90","PP_D1":"1.48","MR_C3":"30.27","PP_B1":"1.64","MR_D2":"32.57","MR_B3":"69.57","PP_B3":"15.56","MR_A1":"69.83","MR_B1":"6.09","PP_A2":"35.51","MR_C2":"7.11"},{"Metabolite":"Acetylcysteine","MR_A3":"85.31","PP_A3":"92.62","MR_C1":"131.16","MR_D1":"144.63","PP_C1":"128.55","PP_C3":"187.68","PP_D3":"","MR_C4":"134.42","MR_B2":"143.52","PP_A1":"292.95","MR_A2":"103.03","PP_B2":"140.05","PP_D2":"131.50","MR_D3":"222.56","PP_C2":"76.43","PP_D1":"154.04","MR_C3":"241.62","PP_B1":"173.34","MR_D2":"195.57","MR_B3":"131.69","PP_B3":"","MR_A1":"55.91","MR_B1":"","PP_A2":"144.49","MR_C2":"104.34"},{"Metabolite":"Acetylglucosamine","MR_A3":"42.47","PP_A3":"63.62","MR_C1":"59.97","MR_D1":"18.19","PP_C1":"40.22","PP_C3":"53.40","PP_D3":"125.89","MR_C4":"14.11","MR_B2":"57.40","PP_A1":"65.08","MR_A2":"118.25","PP_B2":"179.59","PP_D2":"66.69","MR_D3":"184.56","PP_C2":"45.90","PP_D1":"132.80","MR_C3":"59.55","PP_B1":"120.66","MR_D2":"19.06","MR_B3":"109.92","PP_B3":"71.05","MR_A1":"126.96","MR_B1":"86.24","PP_A2":"73.05","MR_C2":"25.65"},{"Metabolite":"Acetylglycine","MR_A3":"63.75","PP_A3":"34.57","MR_C1":"9.99","MR_D1":"88.89","PP_C1":"8.61","PP_C3":"74.00","PP_D3":"22.58","MR_C4":"14.56","MR_B2":"32.75","PP_A1":"38.91","MR_A2":"42.36","PP_B2":"73.76","PP_D2":"15.82","MR_D3":"2.77","PP_C2":"37.91","PP_D1":"8.97","MR_C3":"26.12","PP_B1":"7.81","MR_D2":"27.85","MR_B3":"82.42","PP_B3":"68.22","MR_A1":"10.78","MR_B1":"71.68","PP_A2":"15.09","MR_C2":"48.46"},{"Metabolite":"Acetyl-L-glutamine","MR_A3":"63.07","PP_A3":"100.92","MR_C1":"48.10","MR_D1":"4971.32","PP_C1":"20.11","PP_C3":"140.03","PP_D3":"59.07","MR_C4":"274.39","MR_B2":"149.60","PP_A1":"206.65","MR_A2":"190.26","PP_B2":"388.83","PP_D2":"80.54","MR_D3":"4022.03","PP_C2":"122.41","PP_D1":"177.05","MR_C3":"943.43","PP_B1":"151.92","MR_D2":"5253.46","MR_B3":"255.51","PP_B3":"98.74","MR_A1":"27.86","MR_B1":"187.31","PP_A2":"265.40","MR_C2":"705.84"},{"Metabolite":"Acetylornithine","MR_A3":"3013.37","PP_A3":"3630.31","MR_C1":"1475.39","MR_D1":"8051.56","PP_C1":"1703.53","PP_C3":"4836.11","PP_D3":"2121.70","MR_C4":"1691.55","MR_B2":"3708.04","PP_A1":"1817.42","MR_A2":"2680.16","PP_B2":"2482.07","PP_D2":"1177.29","MR_D3":"5400.14","PP_C2":"4521.89","PP_D1":"1802.97","MR_C3":"2117.87","PP_B1":"2497.13","MR_D2":"7208.40","MR_B3":"2582.53","PP_B3":"1513.07","MR_A1":"2507.26","MR_B1":"3152.75","PP_A2":"735.48","MR_C2":"2123.31"},{"Metabolite":"Adenine","MR_A3":"706.08","PP_A3":"418.15","MR_C1":"2544.23","MR_D1":"3314.15","PP_C1":"995.60","PP_C3":"1547.18","PP_D3":"172.79","MR_C4":"3239.04","MR_B2":"1025.66","PP_A1":"899.69","MR_A2":"1698.42","PP_B2":"1408.05","PP_D2":"581.87","MR_D3":"2909.35","PP_C2":"1072.05","PP_D1":"55.45","MR_C3":"3339.72","PP_B1":"2216.70","MR_D2":"4066.43","MR_B3":"1053.39","PP_B3":"2966.83","MR_A1":"711.69","MR_B1":"593.03","PP_A2":"1702.95","MR_C2":"2821.05"},{"Metabolite":"Adenosine","MR_A3":"16607.13","PP_A3":"496.77","MR_C1":"14625.67","MR_D1":"18458.12","PP_C1":"3024.55","PP_C3":"4816.78","PP_D3":"302.53","MR_C4":"16499.58","MR_B2":"10219.11","PP_A1":"669.56","MR_A2":"16834.05","PP_B2":"3848.80","PP_D2":"387.59","MR_D3":"22239.37","PP_C2":"5500.17","PP_D1":"513.78","MR_C3":"21691.21","PP_B1":"5304.42","MR_D2":"27406.34","MR_B3":"10780.38","PP_B3":"3584.51","MR_A1":"16000.30","MR_B1":"10537.57","PP_A2":"281.92","MR_C2":"21545.48"},{"Metabolite":"Adenosyl-L-homocysteine","MR_A3":"12.45","PP_A3":"26.00","MR_C1":"10.64","MR_D1":"16.49","PP_C1":"85.63","PP_C3":"51.43","PP_D3":"32.31","MR_C4":"49.15","MR_B2":"50.94","PP_A1":"97.79","MR_A2":"64.14","PP_B2":"17.25","PP_D2":"69.27","MR_D3":"1.30","PP_C2":"112.60","PP_D1":"77.69","MR_C3":"51.33","PP_B1":"50.06","MR_D2":"21.24","MR_B3":"107.15","PP_B3":"23.61","MR_A1":"49.88","MR_B1":"157.40","PP_A2":"83.36","MR_C2":"2.11"},{"Metabolite":"Adenylosuccinate","MR_A3":"","PP_A3":"0.90","MR_C1":"4.33","MR_D1":"114.54","PP_C1":"7.67","PP_C3":"3.98","PP_D3":"4.21","MR_C4":"3.66","MR_B2":"15.07","PP_A1":"35.02","MR_A2":"24.62","PP_B2":"55.80","PP_D2":"","MR_D3":"66.90","PP_C2":"78.25","PP_D1":"55.77","MR_C3":"101.26","PP_B1":"69.88","MR_D2":"5.13","MR_B3":"25.59","PP_B3":"42.68","MR_A1":"7.31","MR_B1":"23.52","PP_A2":"","MR_C2":"131.36"},{"Metabolite":"ADP","MR_A3":"2034.63","PP_A3":"1998.03","MR_C1":"2603.50","MR_D1":"1819.31","PP_C1":"1523.41","PP_C3":"1074.79","PP_D3":"214.31","MR_C4":"1695.05","MR_B2":"1670.14","PP_A1":"1198.83","MR_A2":"794.28","PP_B2":"124.55","PP_D2":"56.40","MR_D3":"719.94","PP_C2":"595.96","PP_D1":"352.69","MR_C3":"444.69","PP_B1":"138.70","MR_D2":"536.57","MR_B3":"348.70","PP_B3":"602.59","MR_A1":"462.61","MR_B1":"461.87","PP_A2":"128.39","MR_C2":"316.35"},{"Metabolite":"ADP ribose","MR_A3":"84.00","PP_A3":"420.44","MR_C1":"174.80","MR_D1":"159.80","PP_C1":"67.20","PP_C3":"107.61","PP_D3":"100.44","MR_C4":"342.73","MR_B2":"836.90","PP_A1":"358.37","MR_A2":"49.58","PP_B2":"66.77","PP_D2":"57.96","MR_D3":"123.44","PP_C2":"92.99","PP_D1":"65.73","MR_C3":"110.37","PP_B1":"380.71","MR_D2":"101.70","MR_B3":"553.99","PP_B3":"301.64","MR_A1":"211.51","MR_B1":"1048.73","PP_A2":"27.85","MR_C2":"191.63"},{"Metabolite":"Agmatine","MR_A3":"84.20","PP_A3":"607.42","MR_C1":"37.90","MR_D1":"287.73","PP_C1":"132.68","PP_C3":"81.19","PP_D3":"232.28","MR_C4":"91.38","MR_B2":"59.01","PP_A1":"474.39","MR_A2":"176.96","PP_B2":"157.13","PP_D2":"178.05","MR_D3":"869.99","PP_C2":"125.95","PP_D1":"1360.58","MR_C3":"1521.11","PP_B1":"185.67","MR_D2":"1270.07","MR_B3":"155.51","PP_B3":"603.09","MR_A1":"54.13","MR_B1":"301.45","PP_A2":"227.21","MR_C2":"180.13"},{"Metabolite":"Alanine","MR_A3":"19469.16","PP_A3":"7406.13","MR_C1":"7108.72","MR_D1":"9222.01","PP_C1":"5709.82","PP_C3":"6563.05","PP_D3":"2389.52","MR_C4":"7504.99","MR_B2":"3157.88","PP_A1":"8614.65","MR_A2":"15520.69","PP_B2":"9133.06","PP_D2":"3403.80","MR_D3":"7332.92","PP_C2":"8499.34","PP_D1":"2614.90","MR_C3":"6246.20","PP_B1":"8027.21","MR_D2":"8132.69","MR_B3":"2938.33","PP_B3":"8887.90","MR_A1":"15715.90","MR_B1":"4462.37","PP_A2":"6999.12","MR_C2":"7151.41"},{"Metabolite":"Allopurinol","MR_A3":"","PP_A3":"137.24","MR_C1":"46.29","MR_D1":"","PP_C1":"0.69","PP_C3":"70.25","PP_D3":"","MR_C4":"54.07","MR_B2":"26.81","PP_A1":"13.98","MR_A2":"67.08","PP_B2":"53.34","PP_D2":"43.65","MR_D3":"","PP_C2":"18.22","PP_D1":"28.74","MR_C3":"46.25","PP_B1":"86.09","MR_D2":"3.99","MR_B3":"48.28","PP_B3":"33.98","MR_A1":"1.71","MR_B1":"52.80","PP_A2":"40.82","MR_C2":""},{"Metabolite":"Amiloride","MR_A3":"67.54","PP_A3":"55.20","MR_C1":"106.93","MR_D1":"177.19","PP_C1":"305.80","PP_C3":"181.00","PP_D3":"72.87","MR_C4":"291.03","MR_B2":"175.76","PP_A1":"266.25","MR_A2":"152.48","PP_B2":"56.75","PP_D2":"113.91","MR_D3":"274.95","PP_C2":"370.85","PP_D1":"171.24","MR_C3":"78.51","PP_B1":"116.17","MR_D2":"206.03","MR_B3":"144.30","PP_B3":"35.05","MR_A1":"106.82","MR_B1":"147.20","PP_A2":"77.95","MR_C2":"245.60"},{"Metabolite":"Amino valerate","MR_A3":"474.00","PP_A3":"177.60","MR_C1":"937.17","MR_D1":"2272.36","PP_C1":"625.15","PP_C3":"479.73","PP_D3":"637.22","MR_C4":"355.87","MR_B2":"560.53","PP_A1":"1227.11","MR_A2":"2524.51","PP_B2":"216.52","PP_D2":"140.11","MR_D3":"414.78","PP_C2":"90.61","PP_D1":"285.19","MR_C3":"313.02","PP_B1":"","MR_D2":"1424.69","MR_B3":"877.03","PP_B3":"1341.12","MR_A1":"219.38","MR_B1":"348.09","PP_A2":"2155.36","MR_C2":"2804.52"},{"Metabolite":"AMP","MR_A3":"125116.95","PP_A3":"17932.24","MR_C1":"29834.90","MR_D1":"20965.97","PP_C1":"15594.33","PP_C3":"13549.65","PP_D3":"12776.05","MR_C4":"24287.25","MR_B2":"48882.05","PP_A1":"11748.18","MR_A2":"119471.33","PP_B2":"9422.73","PP_D2":"9191.00","MR_D3":"13737.66","PP_C2":"7863.75","PP_D1":"7289.99","MR_C3":"20569.81","PP_B1":"6788.26","MR_D2":"13175.94","MR_B3":"40019.15","PP_B3":"6353.70","MR_A1":"97691.60","MR_B1":"41202.26","PP_A2":"6028.82","MR_C2":"21343.90"},{"Metabolite":"Anthranilic acid","MR_A3":"132.13","PP_A3":"764.17","MR_C1":"369.16","MR_D1":"394.68","PP_C1":"77.88","PP_C3":"430.75","PP_D3":"46.11","MR_C4":"766.58","MR_B2":"541.39","PP_A1":"185.65","MR_A2":"462.34","PP_B2":"476.11","PP_D2":"412.33","MR_D3":"41.72","PP_C2":"146.33","PP_D1":"235.06","MR_C3":"34.21","PP_B1":"622.60","MR_D2":"433.38","MR_B3":"593.34","PP_B3":"1033.39","MR_A1":"126.88","MR_B1":"565.44","PP_A2":"270.08","MR_C2":"831.70"},{"Metabolite":"Arginine","MR_A3":"21724.97","PP_A3":"711.95","MR_C1":"173.10","MR_D1":"301.82","PP_C1":"5839.82","PP_C3":"9190.26","PP_D3":"833.44","MR_C4":"81.98","MR_B2":"131.17","PP_A1":"122.89","MR_A2":"10095.28","PP_B2":"12237.40","PP_D2":"469.62","MR_D3":"209.26","PP_C2":"187.79","PP_D1":"86.50","MR_C3":"202.62","PP_B1":"4432.11","MR_D2":"832.07","MR_B3":"1909.73","PP_B3":"7362.32","MR_A1":"5764.53","MR_B1":"1179.07","PP_A2":"3246.79","MR_C2":"437.42"},{"Metabolite":"Asparagine","MR_A3":"47.68","PP_A3":"175.84","MR_C1":"134.68","MR_D1":"215.75","PP_C1":"22.26","PP_C3":"133.32","PP_D3":"89.84","MR_C4":"22.07","MR_B2":"101.72","PP_A1":"366.81","MR_A2":"61.92","PP_B2":"123.60","PP_D2":"14.77","MR_D3":"374.94","PP_C2":"25.41","PP_D1":"136.18","MR_C3":"142.42","PP_B1":"78.16","MR_D2":"563.62","MR_B3":"100.39","PP_B3":"152.73","MR_A1":"23.98","MR_B1":"141.66","PP_A2":"106.66","MR_C2":"38.95"},{"Metabolite":"Aspartate","MR_A3":"2344.14","PP_A3":"1193.29","MR_C1":"849.23","MR_D1":"1150.00","PP_C1":"491.68","PP_C3":"825.25","PP_D3":"705.78","MR_C4":"543.37","MR_B2":"424.59","PP_A1":"2190.30","MR_A2":"1249.27","PP_B2":"1580.91","PP_D2":"396.76","MR_D3":"1195.81","PP_C2":"1345.09","PP_D1":"682.12","MR_C3":"1301.43","PP_B1":"1434.39","MR_D2":"2201.06","MR_B3":"1456.55","PP_B3":"1691.75","MR_A1":"1647.86","MR_B1":"441.13","PP_A2":"1796.00","MR_C2":"984.47"},{"Metabolite":"ATP","MR_A3":"150.21","PP_A3":"43.77","MR_C1":"43.82","MR_D1":"78.72","PP_C1":"114.47","PP_C3":"13.90","PP_D3":"83.04","MR_C4":"118.02","MR_B2":"43.68","PP_A1":"40.62","MR_A2":"67.81","PP_B2":"42.88","PP_D2":"23.17","MR_D3":"61.99","PP_C2":"34.36","PP_D1":"120.48","MR_C3":"207.45","PP_B1":"65.62","MR_D2":"126.16","MR_B3":"53.91","PP_B3":"20.33","MR_A1":"69.32","MR_B1":"106.59","PP_A2":"15.19","MR_C2":"97.48"},{"Metabolite":"Betaine","MR_A3":"445096.04","PP_A3":"508223.74","MR_C1":"382783.88","MR_D1":"348244.25","PP_C1":"345525.99","PP_C3":"388580.88","PP_D3":"235566.19","MR_C4":"336156.08","MR_B2":"470318.24","PP_A1":"350926.82","MR_A2":"480086.87","PP_B2":"439871.31","PP_D2":"331361.95","MR_D3":"373622.01","PP_C2":"320610.53","PP_D1":"334779.25","MR_C3":"262745.73","PP_B1":"309358.48","MR_D2":"436577.28","MR_B3":"436662.90","PP_B3":"461594.85","MR_A1":"286026.75","MR_B1":"565159.27","PP_A2":"330045.20","MR_C2":"376623.06"},{"Metabolite":"Biotin","MR_A3":"250.58","PP_A3":"146.83","MR_C1":"22.47","MR_D1":"254.16","PP_C1":"283.35","PP_C3":"216.61","PP_D3":"561.05","MR_C4":"2335.67","MR_B2":"3532.78","PP_A1":"309.24","MR_A2":"187.45","PP_B2":"741.08","PP_D2":"405.47","MR_D3":"164.33","PP_C2":"1182.19","PP_D1":"143.45","MR_C3":"2345.43","PP_B1":"498.97","MR_D2":"1062.31","MR_B3":"1581.38","PP_B3":"363.39","MR_A1":"675.39","MR_B1":"1988.25","PP_A2":"426.74","MR_C2":"1283.50"},{"Metabolite":"Cadaverine","MR_A3":"94.56","PP_A3":"141.88","MR_C1":"23.03","MR_D1":"30.97","PP_C1":"9.57","PP_C3":"51.06","PP_D3":"141.94","MR_C4":"43.12","MR_B2":"44.01","PP_A1":"83.51","MR_A2":"28.91","PP_B2":"111.15","PP_D2":"40.44","MR_D3":"45.38","PP_C2":"35.63","PP_D1":"5.34","MR_C3":"24.75","PP_B1":"143.77","MR_D2":"120.61","MR_B3":"24.92","PP_B3":"21.82","MR_A1":"25.15","MR_B1":"20.46","PP_A2":"39.06","MR_C2":"165.24"},{"Metabolite":"Caffeine","MR_A3":"8.77","PP_A3":"4.46","MR_C1":"20.55","MR_D1":"38.45","PP_C1":"78.13","PP_C3":"61.85","PP_D3":"3.48","MR_C4":"188.35","MR_B2":"19.85","PP_A1":"10.71","MR_A2":"25.98","PP_B2":"44.87","PP_D2":"25.21","MR_D3":"137.55","PP_C2":"48.46","PP_D1":"24.75","MR_C3":"3.20","PP_B1":"14.54","MR_D2":"94.44","MR_B3":"8.32","PP_B3":"103.94","MR_A1":"22.76","MR_B1":"76.32","PP_A2":"48.76","MR_C2":"128.28"},{"Metabolite":"Carnitine","MR_A3":"5187.99","PP_A3":"5029.59","MR_C1":"3094.04","MR_D1":"4453.32","PP_C1":"5026.81","PP_C3":"5194.57","PP_D3":"3955.39","MR_C4":"5059.01","MR_B2":"4353.50","PP_A1":"4518.93","MR_A2":"4065.03","PP_B2":"4977.04","PP_D2":"2616.70","MR_D3":"2373.47","PP_C2":"3824.51","PP_D1":"3767.57","MR_C3":"4901.06","PP_B1":"4366.67","MR_D2":"3595.99","MR_B3":"2829.09","PP_B3":"4039.54","MR_A1":"4350.80","MR_B1":"3557.27","PP_A2":"2509.21","MR_C2":"3951.84"},{"Metabolite":"Carnosine","MR_A3":"180.40","PP_A3":"26.98","MR_C1":"203.03","MR_D1":"52.51","PP_C1":"103.66","PP_C3":"87.46","PP_D3":"124.48","MR_C4":"18.08","MR_B2":"37.49","PP_A1":"126.05","MR_A2":"54.23","PP_B2":"156.46","PP_D2":"45.66","MR_D3":"11.85","PP_C2":"18.90","PP_D1":"52.60","MR_C3":"67.81","PP_B1":"34.16","MR_D2":"113.20","MR_B3":"32.66","PP_B3":"364.18","MR_A1":"72.77","MR_B1":"37.31","PP_A2":"33.90","MR_C2":"30.71"},{"Metabolite":"cGMP","MR_A3":"61887.61","PP_A3":"1033.70","MR_C1":"2957.91","MR_D1":"757.90","PP_C1":"118.15","PP_C3":"48.53","PP_D3":"47.97","MR_C4":"4468.05","MR_B2":"284382.81","PP_A1":"1627.77","MR_A2":"90062.86","PP_B2":"3965.58","PP_D2":"27.28","MR_D3":"1005.47","PP_C2":"59.33","PP_D1":"23.83","MR_C3":"5600.10","PP_B1":"2144.77","MR_D2":"681.54","MR_B3":"228063.64","PP_B3":"1793.15","MR_A1":"83807.32","MR_B1":"235761.71","PP_A2":"1945.05","MR_C2":"4347.43"},{"Metabolite":"Choline","MR_A3":"5226.42","PP_A3":"3688.22","MR_C1":"1280.31","MR_D1":"407.25","PP_C1":"563.54","PP_C3":"976.45","PP_D3":"1151.18","MR_C4":"590.47","MR_B2":"2305.85","PP_A1":"3649.57","MR_A2":"6014.16","PP_B2":"5656.23","PP_D2":"766.89","MR_D3":"1056.13","PP_C2":"793.99","PP_D1":"876.50","MR_C3":"900.72","PP_B1":"2691.23","MR_D2":"805.12","MR_B3":"3297.20","PP_B3":"2902.58","MR_A1":"6315.64","MR_B1":"2788.26","PP_A2":"4420.80","MR_C2":"608.13"},{"Metabolite":"Citrulline","MR_A3":"7402.11","PP_A3":"1347.73","MR_C1":"1201.25","MR_D1":"4683.52","PP_C1":"1493.06","PP_C3":"2282.76","PP_D3":"327.89","MR_C4":"1760.72","MR_B2":"4634.32","PP_A1":"1223.12","MR_A2":"3034.37","PP_B2":"1879.15","PP_D2":"715.63","MR_D3":"6225.60","PP_C2":"1818.95","PP_D1":"471.30","MR_C3":"935.78","PP_B1":"3246.30","MR_D2":"6131.26","MR_B3":"4196.62","PP_B3":"1220.09","MR_A1":"2203.10","MR_B1":"3504.65","PP_A2":"1268.81","MR_C2":"1483.64"},{"Metabolite":"Creatine","MR_A3":"2317.22","PP_A3":"2473.08","MR_C1":"2048.25","MR_D1":"2895.09","PP_C1":"1571.78","PP_C3":"1770.05","PP_D3":"1936.21","MR_C4":"4109.81","MR_B2":"2423.15","PP_A1":"3938.03","MR_A2":"1951.54","PP_B2":"4039.34","PP_D2":"2316.80","MR_D3":"2073.50","PP_C2":"3251.92","PP_D1":"2047.65","MR_C3":"2261.71","PP_B1":"3462.29","MR_D2":"2830.59","MR_B3":"1901.38","PP_B3":"1814.84","MR_A1":"2286.31","MR_B1":"1789.76","PP_A2":"1858.82","MR_C2":"2251.07"},{"Metabolite":"Creatinine","MR_A3":"1720.89","PP_A3":"1852.81","MR_C1":"1779.16","MR_D1":"1371.17","PP_C1":"2016.47","PP_C3":"814.19","PP_D3":"970.03","MR_C4":"1484.65","MR_B2":"1169.30","PP_A1":"1285.57","MR_A2":"1203.89","PP_B2":"2150.08","PP_D2":"1342.86","MR_D3":"1428.72","PP_C2":"1276.58","PP_D1":"1417.95","MR_C3":"1062.36","PP_B1":"2387.20","MR_D2":"1344.71","MR_B3":"1229.03","PP_B3":"731.49","MR_A1":"2185.81","MR_B1":"4153.28","PP_A2":"1169.15","MR_C2":"1107.16"},{"Metabolite":"Cystamine","MR_A3":"88.95","PP_A3":"24.12","MR_C1":"71.63","MR_D1":"92.65","PP_C1":"42.19","PP_C3":"25.07","PP_D3":"90.64","MR_C4":"37.86","MR_B2":"31.72","PP_A1":"10.99","MR_A2":"33.98","PP_B2":"42.04","PP_D2":"17.84","MR_D3":"13.86","PP_C2":"21.82","PP_D1":"56.39","MR_C3":"87.45","PP_B1":"23.19","MR_D2":"33.88","MR_B3":"67.88","PP_B3":"51.54","MR_A1":"","MR_B1":"69.47","PP_A2":"29.11","MR_C2":""},{"Metabolite":"Cysteine","MR_A3":"36.45","PP_A3":"67.16","MR_C1":"67.57","MR_D1":"214.12","PP_C1":"357.21","PP_C3":"113.65","PP_D3":"196.46","MR_C4":"47.69","MR_B2":"205.30","PP_A1":"35.60","MR_A2":"65.32","PP_B2":"144.98","PP_D2":"49.60","MR_D3":"179.37","PP_C2":"114.32","PP_D1":"44.96","MR_C3":"258.31","PP_B1":"120.15","MR_D2":"67.96","MR_B3":"","PP_B3":"82.43","MR_A1":"111.25","MR_B1":"127.32","PP_A2":"317.42","MR_C2":"68.03"},{"Metabolite":"Cystine","MR_A3":"58.64","PP_A3":"49.89","MR_C1":"125.21","MR_D1":"2.48","PP_C1":"55.47","PP_C3":"39.30","PP_D3":"37.09","MR_C4":"126.97","MR_B2":"16.81","PP_A1":"8.31","MR_A2":"41.68","PP_B2":"10.79","PP_D2":"45.14","MR_D3":"15.95","PP_C2":"22.77","PP_D1":"84.84","MR_C3":"6.61","PP_B1":"34.39","MR_D2":"2.98","MR_B3":"65.89","PP_B3":"22.46","MR_A1":"0.51","MR_B1":"32.99","PP_A2":"10.25","MR_C2":"0.27"},{"Metabolite":"Cytidine","MR_A3":"26483.82","PP_A3":"1566.72","MR_C1":"6094.91","MR_D1":"13998.62","PP_C1":"1757.70","PP_C3":"3789.09","PP_D3":"285.48","MR_C4":"4975.34","MR_B2":"5912.57","PP_A1":"1602.69","MR_A2":"24521.98","PP_B2":"14054.26","PP_D2":"179.61","MR_D3":"12496.45","PP_C2":"2955.10","PP_D1":"199.25","MR_C3":"4818.59","PP_B1":"15169.77","MR_D2":"12034.14","MR_B3":"5210.77","PP_B3":"11987.90","MR_A1":"21185.14","MR_B1":"5061.01","PP_A2":"1754.66","MR_C2":"4862.75"},{"Metabolite":"Cytosine","MR_A3":"4382.57","PP_A3":"13908.37","MR_C1":"24201.75","MR_D1":"28285.32","PP_C1":"23834.84","PP_C3":"47008.41","PP_D3":"1263.85","MR_C4":"19957.88","MR_B2":"5724.47","PP_A1":"13548.20","MR_A2":"6834.02","PP_B2":"34074.87","PP_D2":"1263.13","MR_D3":"22181.90","PP_C2":"37511.43","PP_D1":"541.08","MR_C3":"24037.87","PP_B1":"44113.97","MR_D2":"23744.84","MR_B3":"4503.74","PP_B3":"41959.44","MR_A1":"5679.56","MR_B1":"4015.44","PP_A2":"10999.86","MR_C2":"27513.22"},{"Metabolite":"DCDP","MR_A3":"38.04","PP_A3":"77.14","MR_C1":"10.62","MR_D1":"313.49","PP_C1":"17.83","PP_C3":"36.44","PP_D3":"212.95","MR_C4":"151.20","MR_B2":"30.28","PP_A1":"49.90","MR_A2":"66.60","PP_B2":"86.36","PP_D2":"123.15","MR_D3":"63.41","PP_C2":"21.77","PP_D1":"83.51","MR_C3":"73.68","PP_B1":"80.51","MR_D2":"17.33","MR_B3":"171.58","PP_B3":"271.60","MR_A1":"22.54","MR_B1":"197.55","PP_A2":"25.28","MR_C2":"103.43"},{"Metabolite":"DCTP","MR_A3":"62.22","PP_A3":"3.09","MR_C1":"1.25","MR_D1":"18.22","PP_C1":"8.18","PP_C3":"3.60","PP_D3":"","MR_C4":"","MR_B2":"12.40","PP_A1":"1.58","MR_A2":"4.10","PP_B2":"1.29","PP_D2":"1.63","MR_D3":"53.39","PP_C2":"3.17","PP_D1":"5.07","MR_C3":"17.86","PP_B1":"2.86","MR_D2":"16.65","MR_B3":"5.00","PP_B3":"","MR_A1":"1.14","MR_B1":"1.56","PP_A2":"2.55","MR_C2":"4.21"},{"Metabolite":"Decanoylcarnitine","MR_A3":"63.42","PP_A3":"214.30","MR_C1":"42.73","MR_D1":"644.97","PP_C1":"754.21","PP_C3":"1312.43","PP_D3":"780.14","MR_C4":"160.73","MR_B2":"712.62","PP_A1":"176.39","MR_A2":"1743.69","PP_B2":"437.07","PP_D2":"848.68","MR_D3":"53.37","PP_C2":"1293.83","PP_D1":"354.60","MR_C3":"702.56","PP_B1":"588.32","MR_D2":"248.79","MR_B3":"348.06","PP_B3":"788.00","MR_A1":"61.44","MR_B1":"288.77","PP_A2":"1212.74","MR_C2":"112.80"},{"Metabolite":"Dihydrofolic acid","MR_A3":"1.92","PP_A3":"6.02","MR_C1":"29.02","MR_D1":"17.70","PP_C1":"178.79","PP_C3":"","PP_D3":"47.23","MR_C4":"13.76","MR_B2":"69.28","PP_A1":"104.14","MR_A2":"4.94","PP_B2":"","PP_D2":"94.94","MR_D3":"0.72","PP_C2":"46.50","PP_D1":"117.01","MR_C3":"44.25","PP_B1":"11.96","MR_D2":"15.31","MR_B3":"65.42","PP_B3":"46.78","MR_A1":"76.75","MR_B1":"66.10","PP_A2":"23.14","MR_C2":""},{"Metabolite":"Dihydroxyacetone","MR_A3":"107959.20","PP_A3":"128163.84","MR_C1":"169187.53","MR_D1":"71224.33","PP_C1":"68623.01","PP_C3":"70487.30","PP_D3":"109415.60","MR_C4":"166407.12","MR_B2":"217403.39","PP_A1":"87770.61","MR_A2":"102788.74","PP_B2":"69475.79","PP_D2":"105663.90","MR_D3":"85836.88","PP_C2":"84150.39","PP_D1":"93676.76","MR_C3":"171299.52","PP_B1":"85483.22","MR_D2":"122687.92","MR_B3":"235657.38","PP_B3":"82209.41","MR_A1":"80525.00","MR_B1":"200842.20","PP_A2":"76967.07","MR_C2":"196286.14"},{"Metabolite":"Dimethylarginine","MR_A3":"32.06","PP_A3":"154.05","MR_C1":"34.03","MR_D1":"11.93","PP_C1":"2.25","PP_C3":"30.25","PP_D3":"","MR_C4":"53.75","MR_B2":"37.69","PP_A1":"3.59","MR_A2":"2.38","PP_B2":"50.13","PP_D2":"","MR_D3":"76.47","PP_C2":"89.56","PP_D1":"62.00","MR_C3":"48.18","PP_B1":"164.14","MR_D2":"20.41","MR_B3":"21.26","PP_B3":"42.47","MR_A1":"50.70","MR_B1":"134.21","PP_A2":"132.59","MR_C2":"2.89"},{"Metabolite":"DOPA","MR_A3":"57.37","PP_A3":"33.46","MR_C1":"59.75","MR_D1":"46.45","PP_C1":"72.25","PP_C3":"149.92","PP_D3":"95.81","MR_C4":"40.66","MR_B2":"75.99","PP_A1":"10.49","MR_A2":"92.93","PP_B2":"46.00","PP_D2":"52.83","MR_D3":"34.57","PP_C2":"125.92","PP_D1":"181.65","MR_C3":"46.33","PP_B1":"29.38","MR_D2":"109.73","MR_B3":"81.83","PP_B3":"50.92","MR_A1":"25.27","MR_B1":"34.36","PP_A2":"20.56","MR_C2":"101.78"},{"Metabolite":"Dopamine","MR_A3":"45.61","PP_A3":"281.44","MR_C1":"31.25","MR_D1":"200.43","PP_C1":"81.72","PP_C3":"430.12","PP_D3":"304.55","MR_C4":"39.53","MR_B2":"169.63","PP_A1":"46.52","MR_A2":"84.22","PP_B2":"154.63","PP_D2":"145.56","MR_D3":"130.33","PP_C2":"227.85","PP_D1":"160.51","MR_C3":"171.33","PP_B1":"150.35","MR_D2":"355.37","MR_B3":"389.83","PP_B3":"159.15","MR_A1":"59.27","MR_B1":"70.97","PP_A2":"119.61","MR_C2":"149.13"},{"Metabolite":"dTMP","MR_A3":"318.02","PP_A3":"49.40","MR_C1":"103.60","MR_D1":"84.63","PP_C1":"138.29","PP_C3":"338.11","PP_D3":"61.88","MR_C4":"711.12","MR_B2":"52.23","PP_A1":"48.10","MR_A2":"48.11","PP_B2":"33.44","PP_D2":"15.13","MR_D3":"45.12","PP_C2":"74.27","PP_D1":"13.33","MR_C3":"122.89","PP_B1":"112.13","MR_D2":"179.29","MR_B3":"88.73","PP_B3":"135.59","MR_A1":"232.70","MR_B1":"62.58","PP_A2":"784.53","MR_C2":"473.19"},{"Metabolite":"dUTP","MR_A3":"67.23","PP_A3":"86.33","MR_C1":"33.76","MR_D1":"51.22","PP_C1":"51.82","PP_C3":"49.33","PP_D3":"58.61","MR_C4":"11.42","MR_B2":"107.75","PP_A1":"13.48","MR_A2":"48.04","PP_B2":"35.86","PP_D2":"42.78","MR_D3":"88.29","PP_C2":"22.40","PP_D1":"16.92","MR_C3":"11.13","PP_B1":"132.86","MR_D2":"111.98","MR_B3":"64.43","PP_B3":"18.31","MR_A1":"74.61","MR_B1":"1.49","PP_A2":"2.96","MR_C2":"25.05"},{"Metabolite":"Epinephrine","MR_A3":"213.54","PP_A3":"279.51","MR_C1":"39.75","MR_D1":"686.02","PP_C1":"289.97","PP_C3":"149.29","PP_D3":"378.50","MR_C4":"139.90","MR_B2":"607.27","PP_A1":"269.99","MR_A2":"849.00","PP_B2":"496.98","PP_D2":"163.14","MR_D3":"676.26","PP_C2":"91.10","PP_D1":"163.45","MR_C3":"416.01","PP_B1":"772.16","MR_D2":"228.03","MR_B3":"436.18","PP_B3":"785.91","MR_A1":"317.49","MR_B1":"268.17","PP_A2":"464.93","MR_C2":"141.73"},{"Metabolite":"Folic acid","MR_A3":"","PP_A3":"1.53","MR_C1":"23.70","MR_D1":"75.65","PP_C1":"53.82","PP_C3":"77.61","PP_D3":"15.99","MR_C4":"50.12","MR_B2":"2.82","PP_A1":"","MR_A2":"25.76","PP_B2":"3.42","PP_D2":"3.14","MR_D3":"74.31","PP_C2":"27.82","PP_D1":"65.39","MR_C3":"46.29","PP_B1":"","MR_D2":"119.51","MR_B3":"1.67","PP_B3":"0.63","MR_A1":"","MR_B1":"80.53","PP_A2":"108.98","MR_C2":"108.07"},{"Metabolite":"Folinic acid","MR_A3":"59.38","PP_A3":"2312.13","MR_C1":"30.92","MR_D1":"411.84","PP_C1":"362.18","PP_C3":"1433.67","PP_D3":"7368.42","MR_C4":"1333.28","MR_B2":"1697.10","PP_A1":"5161.82","MR_A2":"2506.19","PP_B2":"462.59","PP_D2":"523.76","MR_D3":"2653.02","PP_C2":"692.05","PP_D1":"2387.41","MR_C3":"2788.01","PP_B1":"687.33","MR_D2":"1071.66","MR_B3":"2927.62","PP_B3":"883.73","MR_A1":"4169.93","MR_B1":"6643.40","PP_A2":"2289.31","MR_C2":"981.59"},{"Metabolite":"GDP","MR_A3":"12.83","PP_A3":"179.61","MR_C1":"44.54","MR_D1":"117.99","PP_C1":"24.88","PP_C3":"45.41","PP_D3":"14.65","MR_C4":"13.71","MR_B2":"37.79","PP_A1":"61.49","MR_A2":"40.31","PP_B2":"113.90","PP_D2":"91.39","MR_D3":"17.60","PP_C2":"49.08","PP_D1":"22.28","MR_C3":"48.72","PP_B1":"1.64","MR_D2":"20.05","MR_B3":"28.80","PP_B3":"69.97","MR_A1":"49.56","MR_B1":"36.76","PP_A2":"37.48","MR_C2":"6.74"},{"Metabolite":"Glucosamine","MR_A3":"375.29","PP_A3":"1281.76","MR_C1":"569.43","MR_D1":"1517.38","PP_C1":"1413.28","PP_C3":"1700.29","PP_D3":"1040.44","MR_C4":"1678.33","MR_B2":"1233.95","PP_A1":"1354.13","MR_A2":"1461.39","PP_B2":"810.77","PP_D2":"1512.09","MR_D3":"1148.25","PP_C2":"855.45","PP_D1":"1032.44","MR_C3":"1595.48","PP_B1":"1376.82","MR_D2":"711.47","MR_B3":"858.78","PP_B3":"1246.81","MR_A1":"1168.58","MR_B1":"1205.59","PP_A2":"917.84","MR_C2":"1318.13"},{"Metabolite":"Glucosamine 6-phosphate","MR_A3":"50.93","PP_A3":"22.81","MR_C1":"174.64","MR_D1":"169.08","PP_C1":"25.15","PP_C3":"86.61","PP_D3":"7.23","MR_C4":"19.16","MR_B2":"31.93","PP_A1":"2.08","MR_A2":"118.63","PP_B2":"108.78","PP_D2":"34.87","MR_D3":"283.14","PP_C2":"4.11","PP_D1":"33.50","MR_C3":"73.13","PP_B1":"","MR_D2":"604.32","MR_B3":"94.66","PP_B3":"174.12","MR_A1":"59.14","MR_B1":"53.06","PP_A2":"27.35","MR_C2":"45.97"},{"Metabolite":"Glutamic acid","MR_A3":"20995.15","PP_A3":"10916.75","MR_C1":"10153.28","MR_D1":"7732.35","PP_C1":"4644.36","PP_C3":"4824.14","PP_D3":"1786.62","MR_C4":"8164.11","MR_B2":"12636.34","PP_A1":"8866.31","MR_A2":"18222.65","PP_B2":"6461.14","PP_D2":"1806.04","MR_D3":"8246.24","PP_C2":"6563.60","PP_D1":"2472.84","MR_C3":"6693.44","PP_B1":"6415.80","MR_D2":"6439.11","MR_B3":"12453.69","PP_B3":"5724.85","MR_A1":"23469.35","MR_B1":"11630.25","PP_A2":"6238.02","MR_C2":"6749.76"},{"Metabolite":"Glutamine","MR_A3":"8466.10","PP_A3":"8301.74","MR_C1":"2877.60","MR_D1":"2514.77","PP_C1":"4781.64","PP_C3":"5035.68","PP_D3":"2438.11","MR_C4":"3056.02","MR_B2":"3729.89","PP_A1":"7977.52","MR_A2":"6654.80","PP_B2":"7787.06","PP_D2":"3198.53","MR_D3":"2488.24","PP_C2":"6710.69","PP_D1":"4236.79","MR_C3":"2460.76","PP_B1":"7718.75","MR_D2":"2586.54","MR_B3":"4448.39","PP_B3":"4698.39","MR_A1":"7001.24","MR_B1":"3941.04","PP_A2":"8643.06","MR_C2":"3019.48"},{"Metabolite":"Glutathione oxidized","MR_A3":"2.69","PP_A3":"1.46","MR_C1":"3.15","MR_D1":"99.71","PP_C1":"82.26","PP_C3":"198.57","PP_D3":"73.90","MR_C4":"70.78","MR_B2":"45.57","PP_A1":"58.02","MR_A2":"63.22","PP_B2":"108.85","PP_D2":"31.88","MR_D3":"134.44","PP_C2":"17.89","PP_D1":"51.40","MR_C3":"17.87","PP_B1":"73.43","MR_D2":"27.52","MR_B3":"55.19","PP_B3":"85.36","MR_A1":"58.77","MR_B1":"124.30","PP_A2":"54.40","MR_C2":"44.47"},{"Metabolite":"Glutathione reduced","MR_A3":"434.09","PP_A3":"443.23","MR_C1":"318.28","MR_D1":"91.21","PP_C1":"203.24","PP_C3":"163.83","PP_D3":"95.73","MR_C4":"95.16","MR_B2":"78.90","PP_A1":"267.52","MR_A2":"133.94","PP_B2":"464.80","PP_D2":"83.43","MR_D3":"126.04","PP_C2":"50.43","PP_D1":"76.21","MR_C3":"333.42","PP_B1":"163.72","MR_D2":"539.02","MR_B3":"267.06","PP_B3":"267.75","MR_A1":"92.10","MR_B1":"285.96","PP_A2":"210.09","MR_C2":"56.13"},{"Metabolite":"Glycine","MR_A3":"698.56","PP_A3":"2103.03","MR_C1":"213.99","MR_D1":"529.60","PP_C1":"683.59","PP_C3":"847.86","PP_D3":"151.45","MR_C4":"346.30","MR_B2":"875.98","PP_A1":"3532.79","MR_A2":"611.68","PP_B2":"1199.88","PP_D2":"1628.05","MR_D3":"386.57","PP_C2":"583.14","PP_D1":"3139.20","MR_C3":"297.83","PP_B1":"905.61","MR_D2":"190.22","MR_B3":"345.44","PP_B3":"1831.09","MR_A1":"871.92","MR_B1":"733.78","PP_A2":"2007.06","MR_C2":"435.79"},{"Metabolite":"Glycocyamine","MR_A3":"38728.60","PP_A3":"38518.59","MR_C1":"51193.71","MR_D1":"45890.03","PP_C1":"54295.10","PP_C3":"48672.88","PP_D3":"51123.43","MR_C4":"47293.44","MR_B2":"49510.00","PP_A1":"46065.32","MR_A2":"41292.18","PP_B2":"52256.10","PP_D2":"57772.12","MR_D3":"51330.10","PP_C2":"52581.99","PP_D1":"58230.05","MR_C3":"55347.11","PP_B1":"44845.29","MR_D2":"47707.36","MR_B3":"49110.58","PP_B3":"52025.08","MR_A1":"54620.02","MR_B1":"46739.80","PP_A2":"43772.73","MR_C2":"56534.23"},{"Metabolite":"Glycylproline","MR_A3":"16.92","PP_A3":"555.14","MR_C1":"49.82","MR_D1":"99.38","PP_C1":"213.09","PP_C3":"254.99","PP_D3":"74.76","MR_C4":"119.69","MR_B2":"245.47","PP_A1":"228.57","MR_A2":"42.59","PP_B2":"286.31","PP_D2":"179.47","MR_D3":"44.46","PP_C2":"373.22","PP_D1":"62.18","MR_C3":"126.58","PP_B1":"642.24","MR_D2":"187.29","MR_B3":"89.91","PP_B3":"211.51","MR_A1":"276.74","MR_B1":"294.52","PP_A2":"466.11","MR_C2":"82.16"},{"Metabolite":"Guanine","MR_A3":"4183.75","PP_A3":"4109.60","MR_C1":"12741.52","MR_D1":"18551.97","PP_C1":"6031.35","PP_C3":"12137.10","PP_D3":"344.79","MR_C4":"12468.99","MR_B2":"3138.02","PP_A1":"5005.02","MR_A2":"5897.14","PP_B2":"24073.93","PP_D2":"248.83","MR_D3":"16459.58","PP_C2":"11093.33","PP_D1":"370.96","MR_C3":"14525.69","PP_B1":"22005.23","MR_D2":"11925.62","MR_B3":"2498.04","PP_B3":"26031.12","MR_A1":"5550.54","MR_B1":"2610.80","PP_A2":"7718.68","MR_C2":"13911.27"},{"Metabolite":"Guanosine","MR_A3":"40042.14","PP_A3":"548.05","MR_C1":"13881.69","MR_D1":"18443.42","PP_C1":"2019.02","PP_C3":"2692.49","PP_D3":"91.75","MR_C4":"13179.06","MR_B2":"14850.87","PP_A1":"865.34","MR_A2":"40457.17","PP_B2":"9560.65","PP_D2":"130.99","MR_D3":"15655.07","PP_C2":"3063.25","PP_D1":"84.03","MR_C3":"12186.77","PP_B1":"11983.02","MR_D2":"21010.03","MR_B3":"10984.76","PP_B3":"12988.02","MR_A1":"47694.21","MR_B1":"12240.37","PP_A2":"1039.69","MR_C2":"11891.12"},{"Metabolite":"HIAA","MR_A3":"213.43","PP_A3":"197.61","MR_C1":"126.86","MR_D1":"75.31","PP_C1":"26.76","PP_C3":"229.78","PP_D3":"175.58","MR_C4":"260.88","MR_B2":"180.51","PP_A1":"51.68","MR_A2":"101.11","PP_B2":"102.59","PP_D2":"52.93","MR_D3":"42.96","PP_C2":"52.37","PP_D1":"92.63","MR_C3":"76.28","PP_B1":"48.29","MR_D2":"268.97","MR_B3":"59.53","PP_B3":"59.01","MR_A1":"159.27","MR_B1":"78.46","PP_A2":"64.21","MR_C2":"100.24"},{"Metabolite":"Hippuric acid","MR_A3":"0.78","PP_A3":"156.44","MR_C1":"31.95","MR_D1":"43.76","PP_C1":"77.28","PP_C3":"16.82","PP_D3":"89.12","MR_C4":"19.61","MR_B2":"0.38","PP_A1":"2.72","MR_A2":"117.01","PP_B2":"1.03","PP_D2":"42.30","MR_D3":"49.87","PP_C2":"56.37","PP_D1":"52.99","MR_C3":"39.74","PP_B1":"25.75","MR_D2":"9.76","MR_B3":"14.38","PP_B3":"154.17","MR_A1":"26.39","MR_B1":"27.99","PP_A2":"64.24","MR_C2":"112.31"},{"Metabolite":"Histamine","MR_A3":"138.00","PP_A3":"1428.46","MR_C1":"838.72","MR_D1":"313.62","PP_C1":"389.06","PP_C3":"67.44","PP_D3":"47.25","MR_C4":"243.21","MR_B2":"365.42","PP_A1":"715.82","MR_A2":"104.31","PP_B2":"266.72","PP_D2":"213.67","MR_D3":"107.41","PP_C2":"205.46","PP_D1":"441.96","MR_C3":"128.72","PP_B1":"103.72","MR_D2":"91.70","MR_B3":"177.57","PP_B3":"253.48","MR_A1":"172.05","MR_B1":"579.51","PP_A2":"270.23","MR_C2":"259.77"},{"Metabolite":"Histidine","MR_A3":"111.76","PP_A3":"173.46","MR_C1":"101.24","MR_D1":"51.24","PP_C1":"44.39","PP_C3":"151.83","PP_D3":"145.22","MR_C4":"77.54","MR_B2":"102.88","PP_A1":"96.56","MR_A2":"251.60","PP_B2":"78.54","PP_D2":"92.10","MR_D3":"27.27","PP_C2":"190.02","PP_D1":"26.20","MR_C3":"85.46","PP_B1":"56.35","MR_D2":"52.93","MR_B3":"72.59","PP_B3":"36.05","MR_A1":"37.99","MR_B1":"232.81","PP_A2":"21.70","MR_C2":"164.38"},{"Metabolite":"Homocysteine","MR_A3":"132.70","PP_A3":"35.31","MR_C1":"142.32","MR_D1":"125.05","PP_C1":"77.59","PP_C3":"103.69","PP_D3":"204.75","MR_C4":"32.58","MR_B2":"76.13","PP_A1":"152.10","MR_A2":"75.89","PP_B2":"309.38","PP_D2":"193.67","MR_D3":"60.26","PP_C2":"40.69","PP_D1":"83.67","MR_C3":"20.14","PP_B1":"118.78","MR_D2":"23.34","MR_B3":"107.93","PP_B3":"234.50","MR_A1":"47.55","MR_B1":"145.11","PP_A2":"35.03","MR_C2":"87.82"},{"Metabolite":"Homoserine/Threonine","MR_A3":"22007.42","PP_A3":"10470.69","MR_C1":"4964.61","MR_D1":"8236.09","PP_C1":"9056.62","PP_C3":"10549.45","PP_D3":"4730.36","MR_C4":"7938.47","MR_B2":"6782.28","PP_A1":"11757.99","MR_A2":"19194.92","PP_B2":"14122.78","PP_D2":"5397.75","MR_D3":"7870.21","PP_C2":"12686.84","PP_D1":"8225.44","MR_C3":"7662.27","PP_B1":"13365.83","MR_D2":"11166.69","MR_B3":"5097.64","PP_B3":"13352.39","MR_A1":"19645.03","MR_B1":"6767.30","PP_A2":"13597.27","MR_C2":"9213.27"},{"Metabolite":"Hydroxybutyryl coenzyme A","MR_A3":"466.62","PP_A3":"309.26","MR_C1":"186.13","MR_D1":"166.11","PP_C1":"147.40","PP_C3":"","PP_D3":"434.56","MR_C4":"","MR_B2":"","PP_A1":"262.12","MR_A2":"472.83","PP_B2":"204.24","PP_D2":"320.58","MR_D3":"","PP_C2":"346.67","PP_D1":"","MR_C3":"568.10","PP_B1":"206.67","MR_D2":"410.56","MR_B3":"261.85","PP_B3":"233.52","MR_A1":"367.72","MR_B1":"352.99","PP_A2":"201.98","MR_C2":""},{"Metabolite":"Hydroxyproline","MR_A3":"","PP_A3":"","MR_C1":"1627.91","MR_D1":"302.41","PP_C1":"533.36","PP_C3":"","PP_D3":"","MR_C4":"","MR_B2":"174.73","PP_A1":"","MR_A2":"170.82","PP_B2":"415.31","PP_D2":"1289.36","MR_D3":"357.13","PP_C2":"","PP_D1":"245.30","MR_C3":"","PP_B1":"","MR_D2":"3060.17","MR_B3":"1924.30","PP_B3":"650.68","MR_A1":"2175.91","MR_B1":"333.97","PP_A2":"360.35","MR_C2":"2582.04"},{"Metabolite":"Hypoxanthine","MR_A3":"82.27","PP_A3":"88.84","MR_C1":"354.48","MR_D1":"744.21","PP_C1":"240.47","PP_C3":"563.47","PP_D3":"61.71","MR_C4":"209.99","MR_B2":"142.24","PP_A1":"299.50","MR_A2":"63.92","PP_B2":"302.37","PP_D2":"34.81","MR_D3":"500.06","PP_C2":"323.02","PP_D1":"23.95","MR_C3":"304.92","PP_B1":"63.23","MR_D2":"523.53","MR_B3":"19.08","PP_B3":"93.48","MR_A1":"229.65","MR_B1":"47.99","PP_A2":"89.17","MR_C2":"859.85"},{"Metabolite":"Imidazole","MR_A3":"63043.55","PP_A3":"42033.47","MR_C1":"19070.34","MR_D1":"23358.34","PP_C1":"28450.23","PP_C3":"19736.62","PP_D3":"1032.85","MR_C4":"16505.67","MR_B2":"37233.07","PP_A1":"34398.69","MR_A2":"41223.51","PP_B2":"55004.23","PP_D2":"383.66","MR_D3":"13305.30","PP_C2":"33794.87","PP_D1":"859.32","MR_C3":"13946.52","PP_B1":"33004.30","MR_D2":"22112.15","MR_B3":"43183.67","PP_B3":"49019.31","MR_A1":"45915.12","MR_B1":"47007.06","PP_A2":"44925.03","MR_C2":"14819.82"},{"Metabolite":"Indole","MR_A3":"872.74","PP_A3":"721.11","MR_C1":"","MR_D1":"4059.29","PP_C1":"1278.39","PP_C3":"3516.46","PP_D3":"2585.18","MR_C4":"","MR_B2":"617.89","PP_A1":"5261.59","MR_A2":"","PP_B2":"9591.38","PP_D2":"","MR_D3":"551.54","PP_C2":"1483.64","PP_D1":"1017.15","MR_C3":"9489.92","PP_B1":"1102.11","MR_D2":"2525.38","MR_B3":"4946.70","PP_B3":"5527.75","MR_A1":"","MR_B1":"6063.69","PP_A2":"4912.60","MR_C2":"3316.05"},{"Metabolite":"Indole-3-acetic acid","MR_A3":"456.36","PP_A3":"436.97","MR_C1":"541.68","MR_D1":"1341.72","PP_C1":"223.05","PP_C3":"256.46","PP_D3":"528.81","MR_C4":"1028.95","MR_B2":"225.38","PP_A1":"629.76","MR_A2":"197.51","PP_B2":"35.66","PP_D2":"380.18","MR_D3":"13424.57","PP_C2":"232.77","PP_D1":"379.15","MR_C3":"805.05","PP_B1":"638.87","MR_D2":"939.24","MR_B3":"1155.34","PP_B3":"345.72","MR_A1":"1633.64","MR_B1":"422.08","PP_A2":"938.57","MR_C2":"10268.76"},{"Metabolite":"Indole-3-lactic acid","MR_A3":"190.83","PP_A3":"51.44","MR_C1":"394.66","MR_D1":"32.10","PP_C1":"46.02","PP_C3":"248.03","PP_D3":"136.94","MR_C4":"44.08","MR_B2":"113.62","PP_A1":"45.96","MR_A2":"1061.64","PP_B2":"19.93","PP_D2":"31.07","MR_D3":"41.30","PP_C2":"22.60","PP_D1":"74.23","MR_C3":"73.32","PP_B1":"23.26","MR_D2":"43.41","MR_B3":"77.33","PP_B3":"65.51","MR_A1":"109.78","MR_B1":"1394.29","PP_A2":"23.71","MR_C2":"68.71"},{"Metabolite":"Indole-3-pyruvic acid","MR_A3":"148.74","PP_A3":"131.96","MR_C1":"171.58","MR_D1":"97.16","PP_C1":"68.53","PP_C3":"58.65","PP_D3":"71.98","MR_C4":"48.98","MR_B2":"211.84","PP_A1":"108.97","MR_A2":"44.09","PP_B2":"96.27","PP_D2":"116.81","MR_D3":"59.77","PP_C2":"146.90","PP_D1":"447.05","MR_C3":"226.68","PP_B1":"183.02","MR_D2":"57.82","MR_B3":"47.54","PP_B3":"66.38","MR_A1":"53.15","MR_B1":"136.37","PP_A2":"60.55","MR_C2":"97.19"},{"Metabolite":"Inosine","MR_A3":"6214.39","PP_A3":"4055.30","MR_C1":"4489.04","MR_D1":"12868.48","PP_C1":"685.34","PP_C3":"763.39","PP_D3":"245.06","MR_C4":"4016.89","MR_B2":"2127.09","PP_A1":"4765.37","MR_A2":"7031.51","PP_B2":"1312.58","PP_D2":"693.77","MR_D3":"10334.50","PP_C2":"1380.83","PP_D1":"527.93","MR_C3":"3781.48","PP_B1":"403.94","MR_D2":"9720.74","MR_B3":"3817.66","PP_B3":"1232.01","MR_A1":"5664.35","MR_B1":"2101.39","PP_A2":"2516.51","MR_C2":"3951.11"},{"Metabolite":"Isobutyryl-CoA","MR_A3":"3.99","PP_A3":"3.72","MR_C1":"","MR_D1":"6.43","PP_C1":"3.22","PP_C3":"5.16","PP_D3":"4.17","MR_C4":"7.72","MR_B2":"12.92","PP_A1":"164.20","MR_A2":"","PP_B2":"","PP_D2":"","MR_D3":"","PP_C2":"5.05","PP_D1":"27.16","MR_C3":"5.90","PP_B1":"1.24","MR_D2":"11.46","MR_B3":"51.46","PP_B3":"","MR_A1":"7.81","MR_B1":"6.19","PP_A2":"3.24","MR_C2":"4.20"},{"Metabolite":"Isoleucine","MR_A3":"1153627.72","PP_A3":"523196.38","MR_C1":"250790.00","MR_D1":"272527.22","PP_C1":"260607.80","PP_C3":"363200.86","PP_D3":"135924.90","MR_C4":"255024.00","MR_B2":"149369.87","PP_A1":"550173.68","MR_A2":"1167355.26","PP_B2":"439777.55","PP_D2":"150235.56","MR_D3":"259031.70","PP_C2":"420477.20","PP_D1":"165620.72","MR_C3":"247956.60","PP_B1":"433189.89","MR_D2":"303461.40","MR_B3":"149197.79","PP_B3":"418858.02","MR_A1":"1201173.71","MR_B1":"166324.46","PP_A2":"530585.45","MR_C2":"282387.59"},{"Metabolite":"Isovalerylglycine","MR_A3":"105.45","PP_A3":"95.58","MR_C1":"26.88","MR_D1":"81.71","PP_C1":"44.09","PP_C3":"200.01","PP_D3":"90.85","MR_C4":"18.65","MR_B2":"19.11","PP_A1":"83.11","MR_A2":"96.90","PP_B2":"87.18","PP_D2":"190.95","MR_D3":"59.17","PP_C2":"120.69","PP_D1":"79.35","MR_C3":"61.33","PP_B1":"109.00","MR_D2":"28.01","MR_B3":"60.34","PP_B3":"157.74","MR_A1":"56.68","MR_B1":"12.05","PP_A2":"43.70","MR_C2":"6.32"},{"Metabolite":"Kynurenic acid","MR_A3":"9.65","PP_A3":"206.59","MR_C1":"24.38","MR_D1":"8.52","PP_C1":"69.58","PP_C3":"130.80","PP_D3":"173.11","MR_C4":"7.84","MR_B2":"22.59","PP_A1":"405.08","MR_A2":"23.20","PP_B2":"54.99","PP_D2":"20.02","MR_D3":"148.69","PP_C2":"123.50","PP_D1":"53.02","MR_C3":"40.71","PP_B1":"110.33","MR_D2":"52.88","MR_B3":"36.22","PP_B3":"161.27","MR_A1":"17.58","MR_B1":"2.34","PP_A2":"153.94","MR_C2":"122.91"},{"Metabolite":"Kynurenine","MR_A3":"46.23","PP_A3":"10.55","MR_C1":"31.53","MR_D1":"99.18","PP_C1":"71.42","PP_C3":"78.68","PP_D3":"96.32","MR_C4":"59.87","MR_B2":"155.81","PP_A1":"120.37","MR_A2":"17.15","PP_B2":"38.16","PP_D2":"43.26","MR_D3":"15.23","PP_C2":"125.94","PP_D1":"81.94","MR_C3":"107.18","PP_B1":"396.03","MR_D2":"208.62","MR_B3":"55.79","PP_B3":"266.94","MR_A1":"32.13","MR_B1":"90.64","PP_A2":"320.75","MR_C2":"51.83"},{"Metabolite":"L-Alloisoleucine/Leucine/Norleucine","MR_A3":"1155385.66","PP_A3":"538644.30","MR_C1":"259989.78","MR_D1":"278736.72","PP_C1":"263847.73","PP_C3":"360148.93","PP_D3":"137245.24","MR_C4":"253804.93","MR_B2":"160536.78","PP_A1":"554152.08","MR_A2":"1188262.27","PP_B2":"436582.60","PP_D2":"147744.10","MR_D3":"259167.20","PP_C2":"421911.30","PP_D1":"166919.88","MR_C3":"240907.12","PP_B1":"432849.81","MR_D2":"313290.70","MR_B3":"151617.52","PP_B3":"415401.43","MR_A1":"1208707.42","MR_B1":"176152.94","PP_A2":"541103.04","MR_C2":"292119.72"},{"Metabolite":"Lysine","MR_A3":"156.76","PP_A3":"90.92","MR_C1":"177.90","MR_D1":"210.84","PP_C1":"192.59","PP_C3":"188.15","PP_D3":"126.42","MR_C4":"26.89","MR_B2":"53.56","PP_A1":"211.48","MR_A2":"258.83","PP_B2":"349.42","PP_D2":"329.99","MR_D3":"653.29","PP_C2":"249.62","PP_D1":"313.85","MR_C3":"243.74","PP_B1":"120.62","MR_D2":"104.98","MR_B3":"144.97","PP_B3":"116.08","MR_A1":"145.83","MR_B1":"144.49","PP_A2":"419.06","MR_C2":"182.30"},{"Metabolite":"Melatonin","MR_A3":"81.42","PP_A3":"45.32","MR_C1":"12.13","MR_D1":"99.99","PP_C1":"36.03","PP_C3":"18.01","PP_D3":"158.32","MR_C4":"2159.33","MR_B2":"91.06","PP_A1":"20.11","MR_A2":"175.80","PP_B2":"138.37","PP_D2":"202.86","MR_D3":"114.92","PP_C2":"69.66","PP_D1":"112.25","MR_C3":"52.93","PP_B1":"75.98","MR_D2":"143.74","MR_B3":"339.28","PP_B3":"122.59","MR_A1":"24.12","MR_B1":"6.03","PP_A2":"154.23","MR_C2":"57.73"},{"Metabolite":"Metanephrine","MR_A3":"87.86","PP_A3":"200.31","MR_C1":"49.08","MR_D1":"131.31","PP_C1":"66.13","PP_C3":"136.04","PP_D3":"170.82","MR_C4":"97.11","MR_B2":"242.02","PP_A1":"45.93","MR_A2":"62.65","PP_B2":"201.27","PP_D2":"305.47","MR_D3":"169.30","PP_C2":"80.12","PP_D1":"50.65","MR_C3":"136.25","PP_B1":"186.13","MR_D2":"339.79","MR_B3":"177.12","PP_B3":"137.01","MR_A1":"124.93","MR_B1":"126.73","PP_A2":"61.59","MR_C2":"91.06"},{"Metabolite":"Methionine","MR_A3":"5823.52","PP_A3":"1398.69","MR_C1":"2312.55","MR_D1":"1553.69","PP_C1":"969.81","PP_C3":"1496.20","PP_D3":"1170.61","MR_C4":"1005.48","MR_B2":"681.10","PP_A1":"941.98","MR_A2":"4932.44","PP_B2":"1577.65","PP_D2":"985.16","MR_D3":"1504.01","PP_C2":"2495.58","PP_D1":"645.16","MR_C3":"1044.78","PP_B1":"1043.05","MR_D2":"2081.56","MR_B3":"597.92","PP_B3":"1715.19","MR_A1":"6134.22","MR_B1":"842.19","PP_A2":"1552.96","MR_C2":"1059.94"},{"Metabolite":"Methylguanidine","MR_A3":"701.91","PP_A3":"488.65","MR_C1":"2733.95","MR_D1":"907.40","PP_C1":"2059.33","PP_C3":"2845.62","PP_D3":"1304.52","MR_C4":"2860.12","MR_B2":"1646.51","PP_A1":"768.06","MR_A2":"1284.95","PP_B2":"715.92","PP_D2":"2077.44","MR_D3":"1930.76","PP_C2":"3124.48","PP_D1":"1680.72","MR_C3":"1612.43","PP_B1":"1247.05","MR_D2":"2300.64","MR_B3":"1532.31","PP_B3":"1272.81","MR_A1":"2759.24","MR_B1":"1051.93","PP_A2":"844.28","MR_C2":"1922.94"},{"Metabolite":"Methylhistamine","MR_A3":"2107.79","PP_A3":"89.85","MR_C1":"51.84","MR_D1":"249.20","PP_C1":"31.81","PP_C3":"70.94","PP_D3":"221.63","MR_C4":"176.28","MR_B2":"124.77","PP_A1":"42.92","MR_A2":"1144.33","PP_B2":"155.67","PP_D2":"44.14","MR_D3":"111.34","PP_C2":"101.96","PP_D1":"102.49","MR_C3":"223.02","PP_B1":"162.92","MR_D2":"78.60","MR_B3":"144.38","PP_B3":"60.41","MR_A1":"164.50","MR_B1":"86.08","PP_A2":"30.75","MR_C2":"34.98"},{"Metabolite":"N,N-Dicyclohexylurea","MR_A3":"485.79","PP_A3":"138.71","MR_C1":"298.93","MR_D1":"117.73","PP_C1":"49.77","PP_C3":"183.79","PP_D3":"590.26","MR_C4":"310.66","MR_B2":"212.12","PP_A1":"230.65","MR_A2":"574.60","PP_B2":"286.69","PP_D2":"246.22","MR_D3":"79.44","PP_C2":"211.10","PP_D1":"120.55","MR_C3":"202.30","PP_B1":"204.44","MR_D2":"61.01","MR_B3":"328.15","PP_B3":"147.97","MR_A1":"106.43","MR_B1":"387.36","PP_A2":"76.94","MR_C2":"153.82"},{"Metabolite":"N-Acetyl-D-galactosamine","MR_A3":"245.86","PP_A3":"63.97","MR_C1":"336.37","MR_D1":"60.98","PP_C1":"136.71","PP_C3":"116.29","PP_D3":"203.88","MR_C4":"140.19","MR_B2":"20.21","PP_A1":"268.39","MR_A2":"49.68","PP_B2":"57.92","PP_D2":"92.70","MR_D3":"162.59","PP_C2":"103.70","PP_D1":"104.27","MR_C3":"286.51","PP_B1":"84.90","MR_D2":"263.27","MR_B3":"291.50","PP_B3":"126.97","MR_A1":"183.34","MR_B1":"26.08","PP_A2":"97.64","MR_C2":"94.20"},{"Metabolite":"N-Acetyl-D-Glucosamine","MR_A3":"","PP_A3":"","MR_C1":"","MR_D1":"","PP_C1":"","PP_C3":"","PP_D3":"","MR_C4":"","MR_B2":"","PP_A1":"","MR_A2":"","PP_B2":"","PP_D2":"","MR_D3":"","PP_C2":"","PP_D1":"","MR_C3":"","PP_B1":"","MR_D2":"","MR_B3":"","PP_B3":"","MR_A1":"","MR_B1":"","PP_A2":"","MR_C2":""},{"Metabolite":"N-Acetylethanolamine","MR_A3":"60.68","PP_A3":"63.42","MR_C1":"14.88","MR_D1":"52.97","PP_C1":"32.38","PP_C3":"4.34","PP_D3":"22.84","MR_C4":"24.75","MR_B2":"1.73","PP_A1":"23.51","MR_A2":"77.91","PP_B2":"107.01","PP_D2":"54.51","MR_D3":"77.46","PP_C2":"20.56","PP_D1":"6.67","MR_C3":"1.71","PP_B1":"20.77","MR_D2":"37.03","MR_B3":"106.20","PP_B3":"25.84","MR_A1":"18.20","MR_B1":"102.92","PP_A2":"4.12","MR_C2":"37.45"},{"Metabolite":"N-Acetylneuraminic acid","MR_A3":"176.72","PP_A3":"147.76","MR_C1":"65.66","MR_D1":"45.56","PP_C1":"16.50","PP_C3":"145.67","PP_D3":"32.55","MR_C4":"78.35","MR_B2":"72.22","PP_A1":"290.81","MR_A2":"5.11","PP_B2":"25.09","PP_D2":"83.81","MR_D3":"223.41","PP_C2":"102.00","PP_D1":"116.52","MR_C3":"60.86","PP_B1":"109.31","MR_D2":"78.69","MR_B3":"44.45","PP_B3":"18.01","MR_A1":"95.25","MR_B1":"24.40","PP_A2":"46.20","MR_C2":"17.60"},{"Metabolite":"NAD","MR_A3":"1454.52","PP_A3":"145.56","MR_C1":"204.29","MR_D1":"89.93","PP_C1":"73.47","PP_C3":"390.80","PP_D3":"237.71","MR_C4":"259.12","MR_B2":"50.73","PP_A1":"122.20","MR_A2":"1381.72","PP_B2":"237.47","PP_D2":"369.54","MR_D3":"19.90","PP_C2":"178.34","PP_D1":"142.81","MR_C3":"116.66","PP_B1":"134.67","MR_D2":"211.15","MR_B3":"212.54","PP_B3":"101.04","MR_A1":"1517.89","MR_B1":"435.01","PP_A2":"150.14","MR_C2":"113.89"},{"Metabolite":"NADH","MR_A3":"66.15","PP_A3":"114.97","MR_C1":"189.76","MR_D1":"70.97","PP_C1":"58.61","PP_C3":"10.16","PP_D3":"26.64","MR_C4":"150.58","MR_B2":"80.63","PP_A1":"85.89","MR_A2":"40.27","PP_B2":"116.23","PP_D2":"58.17","MR_D3":"80.83","PP_C2":"104.83","PP_D1":"99.31","MR_C3":"121.96","PP_B1":"236.50","MR_D2":"23.23","MR_B3":"24.21","PP_B3":"74.15","MR_A1":"9.96","MR_B1":"6.77","PP_A2":"48.16","MR_C2":"96.96"},{"Metabolite":"NADP","MR_A3":"0.63","PP_A3":"1.88","MR_C1":"4.39","MR_D1":"5.53","PP_C1":"1.12","PP_C3":"17.05","PP_D3":"71.68","MR_C4":"3.31","MR_B2":"3.90","PP_A1":"55.25","MR_A2":"3.10","PP_B2":"43.36","PP_D2":"1.74","MR_D3":"3.93","PP_C2":"0.47","PP_D1":"5.04","MR_C3":"","PP_B1":"","MR_D2":"32.86","MR_B3":"2.03","PP_B3":"14.68","MR_A1":"93.53","MR_B1":"10.50","PP_A2":"6.63","MR_C2":"3.94"},{"Metabolite":"NADPH","MR_A3":"23.76","PP_A3":"99.79","MR_C1":"114.92","MR_D1":"984.55","PP_C1":"745.61","PP_C3":"391.88","PP_D3":"1574.98","MR_C4":"735.99","MR_B2":"423.94","PP_A1":"297.51","MR_A2":"1249.31","PP_B2":"571.55","PP_D2":"1092.99","MR_D3":"1093.74","PP_C2":"839.88","PP_D1":"762.99","MR_C3":"371.42","PP_B1":"415.23","MR_D2":"2278.12","MR_B3":"364.77","PP_B3":"736.46","MR_A1":"952.58","MR_B1":"958.70","PP_A2":"772.19","MR_C2":"423.70"},{"Metabolite":"Neopterin","MR_A3":"57.23","PP_A3":"856.94","MR_C1":"59.48","MR_D1":"10.70","PP_C1":"2159.81","PP_C3":"2513.82","PP_D3":"117.61","MR_C4":"198.87","MR_B2":"49.66","PP_A1":"3818.16","MR_A2":"87.79","PP_B2":"3891.85","PP_D2":"354.42","MR_D3":"211.38","PP_C2":"3605.65","PP_D1":"223.04","MR_C3":"62.11","PP_B1":"3521.52","MR_D2":"182.99","MR_B3":"72.77","PP_B3":"3636.73","MR_A1":"155.13","MR_B1":"4.61","PP_A2":"4203.01","MR_C2":"118.24"},{"Metabolite":"Nicotinamide","MR_A3":"508.89","PP_A3":"246.44","MR_C1":"440.47","MR_D1":"513.51","PP_C1":"616.59","PP_C3":"354.16","PP_D3":"609.46","MR_C4":"255.48","MR_B2":"1850.38","PP_A1":"448.22","MR_A2":"1434.10","PP_B2":"1057.38","PP_D2":"277.45","MR_D3":"205.15","PP_C2":"703.29","PP_D1":"364.42","MR_C3":"338.04","PP_B1":"1280.57","MR_D2":"739.71","MR_B3":"934.04","PP_B3":"1020.81","MR_A1":"1453.46","MR_B1":"2405.08","PP_A2":"1327.99","MR_C2":"908.19"},{"Metabolite":"Nicotinic acid","MR_A3":"75.15","PP_A3":"60.36","MR_C1":"67.09","MR_D1":"34.48","PP_C1":"48.95","PP_C3":"30.85","PP_D3":"16.79","MR_C4":"17.73","MR_B2":"115.39","PP_A1":"56.90","MR_A2":"48.22","PP_B2":"79.40","PP_D2":"111.30","MR_D3":"75.01","PP_C2":"90.40","PP_D1":"45.43","MR_C3":"94.86","PP_B1":"134.63","MR_D2":"75.92","MR_B3":"19.93","PP_B3":"155.78","MR_A1":"26.33","MR_B1":"161.99","PP_A2":"8.92","MR_C2":"43.97"},{"Metabolite":"Nicotinuric acid","MR_A3":"109.94","PP_A3":"90.02","MR_C1":"26.93","MR_D1":"36.43","PP_C1":"82.98","PP_C3":"38.33","PP_D3":"42.98","MR_C4":"165.64","MR_B2":"123.40","PP_A1":"84.08","MR_A2":"62.79","PP_B2":"136.74","PP_D2":"52.22","MR_D3":"17.82","PP_C2":"104.00","PP_D1":"7.35","MR_C3":"19.06","PP_B1":"39.24","MR_D2":"97.74","MR_B3":"136.20","PP_B3":"164.15","MR_A1":"115.87","MR_B1":"280.40","PP_A2":"78.72","MR_C2":"165.69"},{"Metabolite":"Normetanephrine","MR_A3":"467.43","PP_A3":"69.05","MR_C1":"113.07","MR_D1":"","PP_C1":"581.22","PP_C3":"736.95","PP_D3":"111.90","MR_C4":"360.55","MR_B2":"224.38","PP_A1":"537.58","MR_A2":"121.51","PP_B2":"223.29","PP_D2":"222.54","MR_D3":"691.61","PP_C2":"72.30","PP_D1":"149.83","MR_C3":"38.89","PP_B1":"319.88","MR_D2":"288.16","MR_B3":"406.59","PP_B3":"428.57","MR_A1":"274.96","MR_B1":"763.51","PP_A2":"314.88","MR_C2":"123.55"},{"Metabolite":"Norvaline","MR_A3":"34794.15","PP_A3":"222822.32","MR_C1":"1584.67","MR_D1":"3000.39","PP_C1":"1784.16","PP_C3":"2493.55","PP_D3":"1396.41","MR_C4":"3691.56","MR_B2":"53205.10","PP_A1":"269080.08","MR_A2":"61917.29","PP_B2":"197215.53","PP_D2":"2823.14","MR_D3":"3321.01","PP_C2":"2947.13","PP_D1":"2266.19","MR_C3":"373.23","PP_B1":"222040.19","MR_D2":"1835.56","MR_B3":"80969.68","PP_B3":"175592.22","MR_A1":"55565.85","MR_B1":"81663.32","PP_A2":"191070.59","MR_C2":"3388.93"},{"Metabolite":"Ornithine","MR_A3":"410.66","PP_A3":"152.17","MR_C1":"402.11","MR_D1":"156.59","PP_C1":"152.64","PP_C3":"48.62","PP_D3":"214.17","MR_C4":"112.31","MR_B2":"124.14","PP_A1":"102.47","MR_A2":"145.04","PP_B2":"136.43","PP_D2":"146.83","MR_D3":"82.76","PP_C2":"72.88","PP_D1":"94.20","MR_C3":"88.44","PP_B1":"252.41","MR_D2":"138.25","MR_B3":"103.21","PP_B3":"71.22","MR_A1":"51.60","MR_B1":"15.41","PP_A2":"159.33","MR_C2":"121.68"},{"Metabolite":"Pantothenic acid","MR_A3":"2237.43","PP_A3":"5176.61","MR_C1":"4458.35","MR_D1":"7206.57","PP_C1":"7965.96","PP_C3":"13609.19","PP_D3":"2219.77","MR_C4":"5019.79","MR_B2":"918.40","PP_A1":"5126.34","MR_A2":"1047.83","PP_B2":"5931.64","PP_D2":"3201.36","MR_D3":"6586.73","PP_C2":"11415.23","PP_D1":"3727.32","MR_C3":"5055.01","PP_B1":"5559.10","MR_D2":"7775.29","MR_B3":"620.58","PP_B3":"5703.96","MR_A1":"2773.93","MR_B1":"460.50","PP_A2":"4566.47","MR_C2":"4051.53"},{"Metabolite":"Phenylalanine","MR_A3":"64333.45","PP_A3":"19079.12","MR_C1":"12541.31","MR_D1":"14368.77","PP_C1":"15301.68","PP_C3":"13307.39","PP_D3":"7189.55","MR_C4":"13621.47","MR_B2":"7542.95","PP_A1":"21120.59","MR_A2":"57038.71","PP_B2":"24220.58","PP_D2":"6665.77","MR_D3":"10817.89","PP_C2":"16072.18","PP_D1":"6546.11","MR_C3":"11119.79","PP_B1":"23296.04","MR_D2":"16473.23","MR_B3":"9423.51","PP_B3":"26829.80","MR_A1":"65315.16","MR_B1":"8884.60","PP_A2":"20356.64","MR_C2":"13834.69"},{"Metabolite":"Phenylbutazone","MR_A3":"225.29","PP_A3":"124.84","MR_C1":"33.15","MR_D1":"32.86","PP_C1":"13.65","PP_C3":"72.34","PP_D3":"306.10","MR_C4":"82.86","MR_B2":"315.81","PP_A1":"11.01","MR_A2":"21.75","PP_B2":"38.71","PP_D2":"44.88","MR_D3":"110.12","PP_C2":"114.60","PP_D1":"266.25","MR_C3":"253.01","PP_B1":"67.08","MR_D2":"23.09","MR_B3":"270.01","PP_B3":"134.32","MR_A1":"19.89","MR_B1":"122.76","PP_A2":"2.07","MR_C2":"336.89"},{"Metabolite":"Phosphocreatine","MR_A3":"213600.59","PP_A3":"578882.95","MR_C1":"487017.15","MR_D1":"199655.44","PP_C1":"314251.31","PP_C3":"211212.13","PP_D3":"247310.42","MR_C4":"495277.58","MR_B2":"441773.82","PP_A1":"537577.13","MR_A2":"511759.51","PP_B2":"365332.37","PP_D2":"260001.69","MR_D3":"509963.53","PP_C2":"514501.22","PP_D1":"334670.46","MR_C3":"395521.27","PP_B1":"540292.62","MR_D2":"160961.85","MR_B3":"510536.56","PP_B3":"215655.15","MR_A1":"498863.97","MR_B1":"479312.21","PP_A2":"168501.36","MR_C2":"215973.91"},{"Metabolite":"Picolinic acid","MR_A3":"25.15","PP_A3":"27.59","MR_C1":"31.18","MR_D1":"67.04","PP_C1":"54.30","PP_C3":"8.94","PP_D3":"33.42","MR_C4":"110.10","MR_B2":"31.04","PP_A1":"102.88","MR_A2":"154.94","PP_B2":"57.94","PP_D2":"11.94","MR_D3":"6.47","PP_C2":"17.08","PP_D1":"19.35","MR_C3":"66.91","PP_B1":"61.05","MR_D2":"48.02","MR_B3":"95.91","PP_B3":"86.09","MR_A1":"65.44","MR_B1":"14.77","PP_A2":"47.21","MR_C2":"83.30"},{"Metabolite":"Pipecolinic acid","MR_A3":"3111.20","PP_A3":"2108.26","MR_C1":"2005.07","MR_D1":"2041.03","PP_C1":"2387.31","PP_C3":"1862.58","PP_D3":"1861.95","MR_C4":"1191.82","MR_B2":"2234.92","PP_A1":"2318.27","MR_A2":"2070.85","PP_B2":"1986.12","PP_D2":"1899.84","MR_D3":"1166.74","PP_C2":"961.25","PP_D1":"2783.43","MR_C3":"1307.86","PP_B1":"1362.42","MR_D2":"2068.42","MR_B3":"1328.17","PP_B3":"1620.62","MR_A1":"1903.42","MR_B1":"785.47","PP_A2":"1852.96","MR_C2":"1649.47"},{"Metabolite":"Proline","MR_A3":"18580.18","PP_A3":"13408.14","MR_C1":"7547.74","MR_D1":"10210.25","PP_C1":"10094.19","PP_C3":"11505.71","PP_D3":"5369.87","MR_C4":"7489.03","MR_B2":"5338.28","PP_A1":"12188.02","MR_A2":"10292.59","PP_B2":"12636.70","PP_D2":"5772.32","MR_D3":"7059.71","PP_C2":"11376.97","PP_D1":"6087.18","MR_C3":"7029.70","PP_B1":"12094.17","MR_D2":"11203.03","MR_B3":"3468.13","PP_B3":"8328.33","MR_A1":"7681.35","MR_B1":"6359.53","PP_A2":"6023.36","MR_C2":"8428.34"},{"Metabolite":"Propranolol","MR_A3":"72.45","PP_A3":"112.15","MR_C1":"32.78","MR_D1":"182.44","PP_C1":"38.32","PP_C3":"38.89","PP_D3":"130.56","MR_C4":"48.48","MR_B2":"51.95","PP_A1":"14.07","MR_A2":"63.88","PP_B2":"37.46","PP_D2":"73.23","MR_D3":"36.12","PP_C2":"91.76","PP_D1":"33.04","MR_C3":"48.13","PP_B1":"11.44","MR_D2":"23.09","MR_B3":"67.99","PP_B3":"68.91","MR_A1":"3.42","MR_B1":"62.97","PP_A2":"14.29","MR_C2":"46.48"},{"Metabolite":"Putrescine","MR_A3":"276.97","PP_A3":"109.24","MR_C1":"302.22","MR_D1":"692.14","PP_C1":"243.02","PP_C3":"65.21","PP_D3":"51.70","MR_C4":"506.82","MR_B2":"364.90","PP_A1":"13.85","MR_A2":"198.52","PP_B2":"361.00","PP_D2":"336.73","MR_D3":"268.81","PP_C2":"70.55","PP_D1":"56.79","MR_C3":"157.27","PP_B1":"243.10","MR_D2":"350.33","MR_B3":"143.45","PP_B3":"355.45","MR_A1":"245.72","MR_B1":"183.56","PP_A2":"205.34","MR_C2":"295.07"},{"Metabolite":"Pyridoxine","MR_A3":"46.57","PP_A3":"341.42","MR_C1":"57.35","MR_D1":"137.13","PP_C1":"357.52","PP_C3":"598.76","PP_D3":"1.44","MR_C4":"480.94","MR_B2":"522.96","PP_A1":"191.95","MR_A2":"751.98","PP_B2":"340.80","PP_D2":"1.12","MR_D3":"44.53","PP_C2":"71.33","PP_D1":"","MR_C3":"339.26","PP_B1":"307.92","MR_D2":"74.46","MR_B3":"337.81","PP_B3":"543.63","MR_A1":"538.73","MR_B1":"245.99","PP_A2":"196.93","MR_C2":"225.05"},{"Metabolite":"Pyroglutamic acid","MR_A3":"1792.21","PP_A3":"949.75","MR_C1":"272.98","MR_D1":"397.06","PP_C1":"2393.70","PP_C3":"707.26","PP_D3":"2094.33","MR_C4":"2065.74","MR_B2":"387.00","PP_A1":"429.21","MR_A2":"381.71","PP_B2":"5610.95","PP_D2":"2127.52","MR_D3":"182.72","PP_C2":"686.11","PP_D1":"1311.32","MR_C3":"250.87","PP_B1":"227.80","MR_D2":"3361.01","MR_B3":"2578.78","PP_B3":"1945.82","MR_A1":"2692.65","MR_B1":"2887.99","PP_A2":"572.02","MR_C2":"2687.43"},{"Metabolite":"Quinolinic acid","MR_A3":"9124.76","PP_A3":"8799.57","MR_C1":"10060.45","MR_D1":"22898.70","PP_C1":"12080.91","PP_C3":"24560.62","PP_D3":"20834.21","MR_C4":"19381.98","MR_B2":"20861.14","PP_A1":"22783.01","MR_A2":"23475.79","PP_B2":"23333.26","PP_D2":"19857.11","MR_D3":"21218.13","PP_C2":"21185.24","PP_D1":"19958.26","MR_C3":"18639.53","PP_B1":"21157.72","MR_D2":"20821.20","MR_B3":"21415.27","PP_B3":"20318.22","MR_A1":"27546.51","MR_B1":"20923.35","PP_A2":"23342.43","MR_C2":"22211.70"},{"Metabolite":"SAICAR","MR_A3":"92.89","PP_A3":"62.07","MR_C1":"6.35","MR_D1":"38.87","PP_C1":"1.02","PP_C3":"9.98","PP_D3":"4.14","MR_C4":"0.65","MR_B2":"17.08","PP_A1":"156.87","MR_A2":"32.46","PP_B2":"5.61","PP_D2":"3.01","MR_D3":"71.11","PP_C2":"2.21","PP_D1":"12.98","MR_C3":"49.40","PP_B1":"19.69","MR_D2":"36.08","MR_B3":"16.34","PP_B3":"12.70","MR_A1":"27.07","MR_B1":"23.14","PP_A2":"84.34","MR_C2":"18.11"},{"Metabolite":"Sarcosine","MR_A3":"17479.52","PP_A3":"7951.90","MR_C1":"6133.51","MR_D1":"8737.19","PP_C1":"6131.14","PP_C3":"7883.47","PP_D3":"2891.56","MR_C4":"6746.23","MR_B2":"4078.07","PP_A1":"7982.23","MR_A2":"13103.34","PP_B2":"6255.56","PP_D2":"2531.91","MR_D3":"7315.48","PP_C2":"8891.18","PP_D1":"2276.16","MR_C3":"4614.50","PP_B1":"8247.84","MR_D2":"9191.44","MR_B3":"3624.66","PP_B3":"9644.15","MR_A1":"16572.24","MR_B1":"3699.77","PP_A2":"6423.04","MR_C2":"6152.53"},{"Metabolite":"Serine","MR_A3":"13600.08","PP_A3":"10769.86","MR_C1":"3557.84","MR_D1":"4877.34","PP_C1":"7341.91","PP_C3":"6771.65","PP_D3":"2009.70","MR_C4":"4146.58","MR_B2":"4040.86","PP_A1":"10299.60","MR_A2":"6069.00","PP_B2":"11218.90","PP_D2":"2231.04","MR_D3":"5036.43","PP_C2":"8726.33","PP_D1":"2883.36","MR_C3":"5030.02","PP_B1":"11195.47","MR_D2":"7474.00","MR_B3":"2502.25","PP_B3":"8411.34","MR_A1":"6406.44","MR_B1":"4793.43","PP_A2":"6640.60","MR_C2":"5972.60"},{"Metabolite":"Serotonin","MR_A3":"43.48","PP_A3":"29.56","MR_C1":"48.59","MR_D1":"87.48","PP_C1":"41.44","PP_C3":"39.26","PP_D3":"80.72","MR_C4":"69.71","MR_B2":"307.06","PP_A1":"34.08","MR_A2":"75.84","PP_B2":"50.33","PP_D2":"132.94","MR_D3":"76.15","PP_C2":"52.94","PP_D1":"95.17","MR_C3":"33.88","PP_B1":"128.45","MR_D2":"61.49","MR_B3":"72.44","PP_B3":"128.51","MR_A1":"113.02","MR_B1":"293.08","PP_A2":"66.81","MR_C2":"150.50"},{"Metabolite":"Siacar","MR_A3":"92.89","PP_A3":"62.07","MR_C1":"6.35","MR_D1":"38.87","PP_C1":"1.02","PP_C3":"9.98","PP_D3":"4.14","MR_C4":"0.65","MR_B2":"17.08","PP_A1":"156.87","MR_A2":"32.46","PP_B2":"5.61","PP_D2":"3.01","MR_D3":"71.11","PP_C2":"2.21","PP_D1":"12.98","MR_C3":"49.40","PP_B1":"19.69","MR_D2":"36.08","MR_B3":"16.34","PP_B3":"12.70","MR_A1":"27.07","MR_B1":"23.14","PP_A2":"84.34","MR_C2":"18.11"},{"Metabolite":"Spermidine","MR_A3":"3116.81","PP_A3":"6401.24","MR_C1":"9413.12","MR_D1":"7850.23","PP_C1":"19285.23","PP_C3":"8831.66","PP_D3":"9386.04","MR_C4":"11178.35","MR_B2":"5047.96","PP_A1":"6658.91","MR_A2":"5658.10","PP_B2":"6739.09","PP_D2":"14393.71","MR_D3":"8091.96","PP_C2":"10283.43","PP_D1":"19192.67","MR_C3":"14745.35","PP_B1":"8051.45","MR_D2":"9472.71","MR_B3":"7296.80","PP_B3":"8125.52","MR_A1":"6307.60","MR_B1":"6190.09","PP_A2":"7594.15","MR_C2":"17793.83"},{"Metabolite":"Taurine","MR_A3":"1203.64","PP_A3":"584.87","MR_C1":"415.40","MR_D1":"1784.88","PP_C1":"662.28","PP_C3":"751.81","PP_D3":"866.20","MR_C4":"674.64","MR_B2":"804.02","PP_A1":"630.64","MR_A2":"606.20","PP_B2":"1142.90","PP_D2":"457.92","MR_D3":"1025.68","PP_C2":"1288.77","PP_D1":"586.37","MR_C3":"790.35","PP_B1":"895.47","MR_D2":"994.30","MR_B3":"782.82","PP_B3":"1153.02","MR_A1":"904.70","MR_B1":"1277.75","PP_A2":"464.33","MR_C2":"669.11"},{"Metabolite":"Tetracaine","MR_A3":"36.27","PP_A3":"533.13","MR_C1":"7.34","MR_D1":"183.90","PP_C1":"108.97","PP_C3":"321.36","PP_D3":"3.28","MR_C4":"267.21","MR_B2":"34.56","PP_A1":"1087.68","MR_A2":"","PP_B2":"90.53","PP_D2":"102.34","MR_D3":"76.54","PP_C2":"188.76","PP_D1":"316.21","MR_C3":"114.57","PP_B1":"152.23","MR_D2":"503.36","MR_B3":"69.33","PP_B3":"711.82","MR_A1":"115.82","MR_B1":"154.47","PP_A2":"34.56","MR_C2":"273.83"},{"Metabolite":"Threonine","MR_A3":"22460.49","PP_A3":"10428.56","MR_C1":"4926.63","MR_D1":"8455.77","PP_C1":"9026.75","PP_C3":"10578.07","PP_D3":"5370.06","MR_C4":"8070.26","MR_B2":"6643.58","PP_A1":"11949.22","MR_A2":"19505.00","PP_B2":"14053.43","PP_D2":"5397.75","MR_D3":"7790.31","PP_C2":"12926.76","PP_D1":"8439.93","MR_C3":"7777.10","PP_B1":"13328.30","MR_D2":"10943.51","MR_B3":"4986.13","PP_B3":"13476.70","MR_A1":"20244.51","MR_B1":"6836.39","PP_A2":"13539.22","MR_C2":"9240.72"},{"Metabolite":"TMAO","MR_A3":"125148.34","PP_A3":"957850.02","MR_C1":"94708.89","MR_D1":"125692.24","PP_C1":"290193.89","PP_C3":"306741.29","PP_D3":"292756.48","MR_C4":"144631.84","MR_B2":"501244.95","PP_A1":"2353705.42","MR_A2":"150116.16","PP_B2":"982520.72","PP_D2":"991323.88","MR_D3":"190421.58","PP_C2":"453081.17","PP_D1":"256663.52","MR_C3":"128181.62","PP_B1":"919828.98","MR_D2":"145530.95","MR_B3":"283634.39","PP_B3":"1108744.83","MR_A1":"186198.03","MR_B1":"329015.66","PP_A2":"1179937.50","MR_C2":"146609.52"},{"Metabolite":"Tryptamine","MR_A3":"46.50","PP_A3":"77.83","MR_C1":"126.08","MR_D1":"147.98","PP_C1":"59.06","PP_C3":"78.61","PP_D3":"176.21","MR_C4":"3.48","MR_B2":"82.77","PP_A1":"47.01","MR_A2":"253.30","PP_B2":"97.64","PP_D2":"30.34","MR_D3":"76.94","PP_C2":"10.68","PP_D1":"57.33","MR_C3":"7.25","PP_B1":"84.84","MR_D2":"164.60","MR_B3":"1.16","PP_B3":"3.98","MR_A1":"269.20","MR_B1":"12.32","PP_A2":"11.26","MR_C2":"258.54"},{"Metabolite":"Tryptophan","MR_A3":"584.69","PP_A3":"245.17","MR_C1":"221.53","MR_D1":"1011.47","PP_C1":"201.56","PP_C3":"617.48","PP_D3":"117.37","MR_C4":"460.33","MR_B2":"51.69","PP_A1":"963.49","MR_A2":"2828.33","PP_B2":"1483.18","PP_D2":"207.19","MR_D3":"807.05","PP_C2":"896.37","PP_D1":"223.70","MR_C3":"1336.88","PP_B1":"1535.47","MR_D2":"1253.79","MR_B3":"887.10","PP_B3":"1384.85","MR_A1":"3708.38","MR_B1":"146.31","PP_A2":"704.72","MR_C2":"397.83"},{"Metabolite":"Tyrosine","MR_A3":"2918.19","PP_A3":"2152.15","MR_C1":"1207.51","MR_D1":"722.91","PP_C1":"321.07","PP_C3":"804.05","PP_D3":"558.45","MR_C4":"1223.61","MR_B2":"939.00","PP_A1":"1703.80","MR_A2":"2226.31","PP_B2":"1251.46","PP_D2":"794.06","MR_D3":"830.01","PP_C2":"1717.39","PP_D1":"799.44","MR_C3":"958.59","PP_B1":"1536.81","MR_D2":"1325.81","MR_B3":"527.38","PP_B3":"1163.84","MR_A1":"2651.00","MR_B1":"730.66","PP_A2":"2544.08","MR_C2":"1261.93"},{"Metabolite":"UDP-GlcNAc","MR_A3":"2013.91","PP_A3":"1675.73","MR_C1":"2161.76","MR_D1":"1292.04","PP_C1":"2169.02","PP_C3":"1898.48","PP_D3":"1753.51","MR_C4":"1933.77","MR_B2":"1802.06","PP_A1":"1600.62","MR_A2":"2190.34","PP_B2":"768.42","PP_D2":"1000.32","MR_D3":"2279.52","PP_C2":"656.46","PP_D1":"910.77","MR_C3":"1134.15","PP_B1":"1195.77","MR_D2":"469.73","MR_B3":"1047.33","PP_B3":"1208.37","MR_A1":"546.92","MR_B1":"1237.69","PP_A2":"1086.44","MR_C2":"1449.57"},{"Metabolite":"Uracil","MR_A3":"12.15","PP_A3":"67.90","MR_C1":"","MR_D1":"42.39","PP_C1":"44.85","PP_C3":"36.70","PP_D3":"4.92","MR_C4":"5.57","MR_B2":"41.81","PP_A1":"54.96","MR_A2":"23.69","PP_B2":"29.28","PP_D2":"11.04","MR_D3":"29.41","PP_C2":"17.91","PP_D1":"","MR_C3":"9.34","PP_B1":"8.11","MR_D2":"","MR_B3":"5.86","PP_B3":"61.67","MR_A1":"7.64","MR_B1":"29.05","PP_A2":"8.37","MR_C2":"103.40"},{"Metabolite":"Urate","MR_A3":"78.18","PP_A3":"99.84","MR_C1":"85.26","MR_D1":"86.67","PP_C1":"37.53","PP_C3":"78.84","PP_D3":"59.18","MR_C4":"44.85","MR_B2":"189.28","PP_A1":"31.21","MR_A2":"174.23","PP_B2":"50.17","PP_D2":"80.71","MR_D3":"84.85","PP_C2":"26.55","PP_D1":"39.04","MR_C3":"60.93","PP_B1":"51.72","MR_D2":"44.43","MR_B3":"252.39","PP_B3":"99.66","MR_A1":"121.76","MR_B1":"73.32","PP_A2":"88.05","MR_C2":"261.91"},{"Metabolite":"Uridine","MR_A3":"476.46","PP_A3":"32.71","MR_C1":"151.41","MR_D1":"376.55","PP_C1":"61.70","PP_C3":"40.71","PP_D3":"91.91","MR_C4":"65.62","MR_B2":"260.12","PP_A1":"32.45","MR_A2":"269.70","PP_B2":"228.80","PP_D2":"164.03","MR_D3":"457.93","PP_C2":"430.27","PP_D1":"39.61","MR_C3":"128.60","PP_B1":"168.19","MR_D2":"189.92","MR_B3":"121.01","PP_B3":"237.30","MR_A1":"3061.60","MR_B1":"89.17","PP_A2":"88.72","MR_C2":"123.22"},{"Metabolite":"Urocanic acid","MR_A3":"67342.70","PP_A3":"32065.32","MR_C1":"10872.54","MR_D1":"13521.96","PP_C1":"16087.71","PP_C3":"18502.67","PP_D3":"9412.26","MR_C4":"8162.39","MR_B2":"14808.23","PP_A1":"29941.33","MR_A2":"13702.34","PP_B2":"31477.66","PP_D2":"14219.99","MR_D3":"6801.88","PP_C2":"16104.06","PP_D1":"16399.04","MR_C3":"9125.03","PP_B1":"26907.65","MR_D2":"17361.08","MR_B3":"12036.96","PP_B3":"21410.92","MR_A1":"12736.83","MR_B1":"15952.85","PP_A2":"14674.09","MR_C2":"10995.04"},{"Metabolite":"Valine","MR_A3":"128326.97","PP_A3":"73583.00","MR_C1":"81755.42","MR_D1":"136169.86","PP_C1":"95276.30","PP_C3":"100501.25","PP_D3":"28605.84","MR_C4":"88622.66","MR_B2":"21064.38","PP_A1":"76904.07","MR_A2":"119622.68","PP_B2":"49722.34","PP_D2":"32010.27","MR_D3":"85582.95","PP_C2":"142270.18","PP_D1":"37558.00","MR_C3":"59730.03","PP_B1":"48205.79","MR_D2":"133938.15","MR_B3":"14990.36","PP_B3":"56988.77","MR_A1":"126410.82","MR_B1":"18876.77","PP_A2":"74704.58","MR_C2":"79960.50"},{"Metabolite":"Xanthine","MR_A3":"841.23","PP_A3":"19.78","MR_C1":"113.82","MR_D1":"260.59","PP_C1":"131.36","PP_C3":"56.55","PP_D3":"154.68","MR_C4":"145.03","MR_B2":"34.85","PP_A1":"195.24","MR_A2":"391.76","PP_B2":"155.48","PP_D2":"24.64","MR_D3":"777.13","PP_C2":"141.52","PP_D1":"69.84","MR_C3":"65.08","PP_B1":"20.27","MR_D2":"17.41","MR_B3":"194.77","PP_B3":"94.66","MR_A1":"48.63","MR_B1":"108.25","PP_A2":"133.33","MR_C2":"223.08"},{"Metabolite":"Xanthosine","MR_A3":"607.18","PP_A3":"4.75","MR_C1":"177.45","MR_D1":"604.95","PP_C1":"5.38","PP_C3":"8.80","PP_D3":"3.28","MR_C4":"465.35","MR_B2":"168.23","PP_A1":"60.04","MR_A2":"108.83","PP_B2":"267.28","PP_D2":"","MR_D3":"399.16","PP_C2":"51.72","PP_D1":"20.76","MR_C3":"584.27","PP_B1":"113.60","MR_D2":"530.56","MR_B3":"59.73","PP_B3":"63.71","MR_A1":"806.51","MR_B1":"264.20","PP_A2":"37.91","MR_C2":"988.69"},{"Metabolite":"Xanthurenic acid","MR_A3":"57.37","PP_A3":"25.00","MR_C1":"12.90","MR_D1":"23.48","PP_C1":"66.12","PP_C3":"59.09","PP_D3":"69.84","MR_C4":"50.53","MR_B2":"79.51","PP_A1":"71.86","MR_A2":"160.47","PP_B2":"13.39","PP_D2":"25.82","MR_D3":"78.37","PP_C2":"61.21","PP_D1":"70.85","MR_C3":"151.87","PP_B1":"85.83","MR_D2":"19.53","MR_B3":"16.75","PP_B3":"17.83","MR_A1":"267.28","MR_B1":"9.20","PP_A2":"41.59","MR_C2":"6.60"}],

"Metabolites":[{"Metabolite":"1-Methyladenosine","RT":"6.511","Precursor Ion":"282.1","Product Ion":"150","Collision Energy":"29","Transition":"282.1 -> 150.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"1-Methylhistidine","RT":"6.93","Precursor Ion":"170.1","Product Ion":"95.9","Collision Energy":"21","Transition":"170.1 -> 95.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2/3-Aminoisobutyric acid/Dimethylglycine","RT":"5.295","Precursor Ion":"104.1","Product Ion":"57.9","Collision Energy":"9","Transition":"104.1 -> 57.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-Aminoadipic acid","RT":"6.839","Precursor Ion":"162.1","Product Ion":"98","Collision Energy":"13","Transition":"162.1 -> 98.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-Aminobutyric acid","RT":"5.706","Precursor Ion":"104.1","Product Ion":"57.9","Collision Energy":"13","Transition":"104.1 -> 57.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-Deoxyadenosine","RT":"2.585","Precursor Ion":"252.1","Product Ion":"136.1","Collision Energy":"13","Transition":"252.1 -> 136.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-Deoxycytidine","RT":"3.591","Precursor Ion":"228.1","Product Ion":"112","Collision Energy":"9","Transition":"228.1 -> 112.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-deoxyguanosine","RT":"4","Precursor Ion":"268.1","Product Ion":"151.9","Collision Energy":"17","Transition":"268.1 -> 151.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-Deoxyuridine","RT":"2.289","Precursor Ion":"229.1","Product Ion":"113","Collision Energy":"9","Transition":"229.1 -> 113.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-Phenylglycinol","RT":"2.549","Precursor Ion":"138.1","Product Ion":"103","Collision Energy":"21","Transition":"138.1 -> 103.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"2-Pyrrolidinone","RT":"1.62","Precursor Ion":"86.1","Product Ion":"44","Collision Energy":"29","Transition":"86.1 -> 44.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"3-Aminobutyric acid","RT":"5.934","Precursor Ion":"104.1","Product Ion":"85.9","Collision Energy":"5","Transition":"104.1 -> 85.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"3-hydroxyanthranilic acid","RT":"13.765","Precursor Ion":"154.1","Product Ion":"112.9","Collision Energy":"5","Transition":"154.1 -> 112.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"3-hydroxykynurenine","RT":"1.102","Precursor Ion":"225.1","Product Ion":"207","Collision Energy":"5","Transition":"225.1 -> 207.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"3-Indolepropionic acid","RT":"1.4","Precursor Ion":"190.1","Product Ion":"130.1","Collision Energy":"25","Transition":"190.1 -> 130.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"3-Nitrotyrosine","RT":"4.801","Precursor Ion":"227.1","Product Ion":"181","Collision Energy":"5","Transition":"227.1 -> 181.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"4-Aminobutyric acid","RT":"6.596","Precursor Ion":"104.1","Product Ion":"87","Collision Energy":"9","Transition":"104.1 -> 87.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"4-Aminophenol","RT":"5.184","Precursor Ion":"110.1","Product Ion":"69","Collision Energy":"9","Transition":"110.1 -> 69.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"4-Imidazoleacetic acid","RT":"5.497","Precursor Ion":"127.1","Product Ion":"80.9","Collision Energy":"13","Transition":"127.1 -> 80.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"4-Pyridoxic acid","RT":"1.288","Precursor Ion":"184.1","Product Ion":"166.1","Collision Energy":"9","Transition":"184.1 -> 166.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"5-Aminolevulinic acid","RT":"6.232","Precursor Ion":"132.1","Product Ion":"85.9","Collision Energy":"13","Transition":"132.1 -> 85.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"5-Hydroxytryptophan","RT":"5.236","Precursor Ion":"221.1","Product Ion":"204","Collision Energy":"5","Transition":"221.1 -> 204.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"5-Methylcytidine","RT":"3.932","Precursor Ion":"258.1","Product Ion":"126.1","Collision Energy":"9","Transition":"258.1 -> 126.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"6-Hydroxynicotinic acid","RT":"4.337","Precursor Ion":"140","Product Ion":"121.9","Collision Energy":"17","Transition":"140.0 -> 121.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"6-Methyl-DL-Tryptophan","RT":"4.071","Precursor Ion":"219.1","Product Ion":"202.1","Collision Energy":"5","Transition":"219.1 -> 202.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"13C5-15N-Glutamic acid","RT":"6.362","Precursor Ion":"154.1","Product Ion":"89","Collision Energy":"17","Transition":"154.1 -> 89.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetamide","RT":"5.05","Precursor Ion":"60.1","Product Ion":"42.8","Collision Energy":"13","Transition":"60.1 -> 42.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetohydroxamic acid","RT":"6.215","Precursor Ion":"76","Product Ion":"43","Collision Energy":"9","Transition":"76.0 -> 43.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetylcarnitine","RT":"5.374","Precursor Ion":"204.1","Product Ion":"85","Collision Energy":"17","Transition":"204.1 -> 85.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetylcholine","RT":"3.439","Precursor Ion":"146.1","Product Ion":"86.8","Collision Energy":"9","Transition":"146.1 -> 86.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetyl-CoA","RT":"6","Precursor Ion":"810.1","Product Ion":"303.1","Collision Energy":"37","Transition":"810.1 -> 303.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetylcysteine","RT":"2.555","Precursor Ion":"164","Product Ion":"123","Collision Energy":"9","Transition":"164.0 -> 123.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetylglucosamine","RT":"4.505","Precursor Ion":"222.1","Product Ion":"138.1","Collision Energy":"17","Transition":"222.1 -> 138.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetylglycine","RT":"4.335","Precursor Ion":"118.1","Product Ion":"75.9","Collision Energy":"5","Transition":"118.1 -> 75.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetyl-L-glutamine","RT":"4.651","Precursor Ion":"189.1","Product Ion":"130","Collision Energy":"13","Transition":"189.1 -> 130.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Acetylornithine","RT":"6.769","Precursor Ion":"175.1","Product Ion":"70","Collision Energy":"25","Transition":"175.1 -> 70.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Adenine","RT":"2.755","Precursor Ion":"136.1","Product Ion":"119.1","Collision Energy":"25","Transition":"136.1 -> 119.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Adenosine","RT":"3.018","Precursor Ion":"268.1","Product Ion":"136","Collision Energy":"13","Transition":"268.1 -> 136.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Adenosyl-L-homocysteine","RT":"6.875","Precursor Ion":"385.1","Product Ion":"136","Collision Energy":"25","Transition":"385.1 -> 136.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Adenylosuccinate","RT":"8.036","Precursor Ion":"464.1","Product Ion":"252","Collision Energy":"25","Transition":"464.1 -> 252.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"ADP","RT":"6.9","Precursor Ion":"428","Product Ion":"136.1","Collision Energy":"21","Transition":"428.0 -> 136.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"ADP ribose","RT":"6.02","Precursor Ion":"560.1","Product Ion":"136.2","Collision Energy":"21","Transition":"560.1 -> 136.2","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Agmatine","RT":"7.19","Precursor Ion":"131.1","Product Ion":"71.9","Collision Energy":"17","Transition":"131.1 -> 71.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Alanine","RT":"6.14","Precursor Ion":"90.1","Product Ion":"44","Collision Energy":"9","Transition":"90.1 -> 44.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Allopurinol","RT":"2.07","Precursor Ion":"137.1","Product Ion":"54.2","Collision Energy":"29","Transition":"137.1 -> 54.2","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Amiloride","RT":"4.192","Precursor Ion":"230.1","Product Ion":"171","Collision Energy":"13","Transition":"230.1 -> 171.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Amino valerate","RT":"6.822","Precursor Ion":"118.1","Product Ion":"100.9","Collision Energy":"9","Transition":"118.1 -> 100.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"AMP","RT":"6.544","Precursor Ion":"348.1","Product Ion":"136.2","Collision Energy":"21","Transition":"348.1 -> 136.2","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Anthranilic acid","RT":"1.4","Precursor Ion":"138.1","Product Ion":"120","Collision Energy":"9","Transition":"138.1 -> 120.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Arginine","RT":"13.2","Precursor Ion":"175.1","Product Ion":"70","Collision Energy":"25","Transition":"175.1 -> 70.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Asparagine","RT":"6.813","Precursor Ion":"133.1","Product Ion":"73.9","Collision Energy":"13","Transition":"133.1 -> 73.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Aspartate","RT":"6.471","Precursor Ion":"134.1","Product Ion":"73.9","Collision Energy":"13","Transition":"134.1 -> 73.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"ATP","RT":"7.3","Precursor Ion":"508","Product Ion":"136","Collision Energy":"45","Transition":"508.0 -> 136.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Betaine","RT":"4.791","Precursor Ion":"118.1","Product Ion":"58","Collision Energy":"29","Transition":"118.1 -> 58.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Biotin","RT":"3.955","Precursor Ion":"245.1","Product Ion":"227","Collision Energy":"9","Transition":"245.1 -> 227.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Cadaverine","RT":"6.506","Precursor Ion":"103.1","Product Ion":"85.9","Collision Energy":"5","Transition":"103.1 -> 85.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Caffeine","RT":"1.447","Precursor Ion":"195.1","Product Ion":"138","Collision Energy":"17","Transition":"195.1 -> 138.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Carnitine","RT":"6.337","Precursor Ion":"162.1","Product Ion":"43","Collision Energy":"25","Transition":"162.1 -> 43.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Carnosine","RT":"7.655","Precursor Ion":"227.1","Product Ion":"110","Collision Energy":"21","Transition":"227.1 -> 110.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"cGMP","RT":"4.63","Precursor Ion":"346.1","Product Ion":"152","Collision Energy":"21","Transition":"346.1 -> 152.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Choline","RT":"6.2","Precursor Ion":"104.1","Product Ion":"58","Collision Energy":"33","Transition":"104.1 -> 58.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Citrulline","RT":"7.02","Precursor Ion":"176.1","Product Ion":"69.9","Collision Energy":"25","Transition":"176.1 -> 69.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Creatine","RT":"6.204","Precursor Ion":"132.1","Product Ion":"44","Collision Energy":"21","Transition":"132.1 -> 44.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Creatinine","RT":"2.988","Precursor Ion":"114.1","Product Ion":"44.1","Collision Energy":"21","Transition":"114.1 -> 44.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Cystamine","RT":"9.759","Precursor Ion":"153.1","Product Ion":"107.7","Collision Energy":"5","Transition":"153.1 -> 107.7","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Cysteine","RT":"13.454","Precursor Ion":"122","Product Ion":"80.9","Collision Energy":"13","Transition":"122.0 -> 80.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Cystine","RT":"7.98","Precursor Ion":"241","Product Ion":"74","Collision Energy":"21","Transition":"241.0 -> 74.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Cytidine","RT":"4.229","Precursor Ion":"244.1","Product Ion":"112","Collision Energy":"9","Transition":"244.1 -> 112.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Cytosine","RT":"3.445","Precursor Ion":"112.1","Product Ion":"94.9","Collision Energy":"21","Transition":"112.1 -> 94.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"DCDP","RT":"6.922","Precursor Ion":"388","Product Ion":"112","Collision Energy":"17","Transition":"388.0 -> 112.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"DCTP","RT":"7.5","Precursor Ion":"468","Product Ion":"111.9","Collision Energy":"17","Transition":"468.0 -> 111.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Decanoylcarnitine","RT":"2.332","Precursor Ion":"316.3","Product Ion":"84.9","Collision Energy":"25","Transition":"316.3 -> 84.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Dihydrofolic acid","RT":"6.783","Precursor Ion":"444.2","Product Ion":"297.1","Collision Energy":"17","Transition":"444.2 -> 297.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Dihydroxyacetone","RT":"1.734","Precursor Ion":"91","Product Ion":"91","Collision Energy":"","Transition":"91.0 -> 91.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Dimethylarginine","RT":"10.863","Precursor Ion":"203.2","Product Ion":"70","Collision Energy":"21","Transition":"203.2 -> 70.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"DOPA","RT":"5.838","Precursor Ion":"198.1","Product Ion":"152.1","Collision Energy":"5","Transition":"198.1 -> 152.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Dopamine","RT":"4.015","Precursor Ion":"154.1","Product Ion":"137","Collision Energy":"9","Transition":"154.1 -> 137.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"dTMP","RT":"6.033","Precursor Ion":"323.1","Product Ion":"80.8","Collision Energy":"21","Transition":"323.1 -> 80.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"dUTP","RT":"7","Precursor Ion":"469","Product Ion":"80.9","Collision Energy":"13","Transition":"469.0 -> 80.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Epinephrine","RT":"5.366","Precursor Ion":"184.1","Product Ion":"166.1","Collision Energy":"5","Transition":"184.1 -> 166.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Folic acid","RT":"6.806","Precursor Ion":"442.2","Product Ion":"295","Collision Energy":"25","Transition":"442.2 -> 295.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Folinic acid","RT":"1.464","Precursor Ion":"474.2","Product Ion":"327.1","Collision Energy":"17","Transition":"474.2 -> 327.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"GDP","RT":"7.255","Precursor Ion":"444","Product Ion":"152.1","Collision Energy":"33","Transition":"444.0 -> 152.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glucosamine","RT":"6.791","Precursor Ion":"180.1","Product Ion":"162","Collision Energy":"5","Transition":"180.1 -> 162.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glucosamine 6-phosphate","RT":"5.7","Precursor Ion":"260.1","Product Ion":"126.1","Collision Energy":"9","Transition":"260.1 -> 126.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glutamic acid","RT":"6.39","Precursor Ion":"148.1","Product Ion":"84","Collision Energy":"17","Transition":"148.1 -> 84.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glutamine","RT":"6.673","Precursor Ion":"147.1","Product Ion":"84","Collision Energy":"17","Transition":"147.1 -> 84.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glutathione oxidized","RT":"7.99","Precursor Ion":"613.2","Product Ion":"484","Collision Energy":"17","Transition":"613.2 -> 484.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glutathione reduced","RT":"6.823","Precursor Ion":"308.1","Product Ion":"84.1","Collision Energy":"25","Transition":"308.1 -> 84.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glycine","RT":"6.598","Precursor Ion":"76","Product Ion":"30.1","Collision Energy":"13","Transition":"76.0 -> 30.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glycocyamine","RT":"6.344","Precursor Ion":"118.1","Product Ion":"42.9","Collision Energy":"45","Transition":"118.1 -> 42.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Glycylproline","RT":"6.701","Precursor Ion":"173.1","Product Ion":"116.1","Collision Energy":"13","Transition":"173.1 -> 116.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Guanine","RT":"4.009","Precursor Ion":"152.1","Product Ion":"135.1","Collision Energy":"21","Transition":"152.1 -> 135.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Guanosine","RT":"4.616","Precursor Ion":"284.1","Product Ion":"152.1","Collision Energy":"13","Transition":"284.1 -> 152.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"HIAA","RT":"4.144","Precursor Ion":"192.1","Product Ion":"146.1","Collision Energy":"13","Transition":"192.1 -> 146.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Hippuric acid","RT":"2.499","Precursor Ion":"180.1","Product Ion":"104.9","Collision Energy":"13","Transition":"180.1 -> 104.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Histamine","RT":"8","Precursor Ion":"112.1","Product Ion":"95","Collision Energy":"17","Transition":"112.1 -> 95.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Histidine","RT":"9","Precursor Ion":"156.1","Product Ion":"110.1","Collision Energy":"13","Transition":"156.1 -> 110.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Homocysteine","RT":"8.604","Precursor Ion":"223.1","Product Ion":"88","Collision Energy":"29","Transition":"223.1 -> 88.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Homoserine/Threonine","RT":"6.343","Precursor Ion":"120.1","Product Ion":"73.9","Collision Energy":"9","Transition":"120.1 -> 73.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Hydroxybutyryl coenzyme A","RT":"6.954","Precursor Ion":"854.2","Product Ion":"347.1","Collision Energy":"37","Transition":"854.2 -> 347.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Hydroxyproline","RT":"6.113","Precursor Ion":"132.1","Product Ion":"85.9","Collision Energy":"17","Transition":"132.1 -> 85.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Hypoxanthine","RT":"2.938","Precursor Ion":"137.1","Product Ion":"54.8","Collision Energy":"33","Transition":"137.1 -> 54.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Imidazole","RT":"1.826","Precursor Ion":"69.1","Product Ion":"42","Collision Energy":"21","Transition":"69.1 -> 42.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Indole","RT":"5.385","Precursor Ion":"118.1","Product Ion":"85.8","Collision Energy":"13","Transition":"118.1 -> 85.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Indole-3-acetic acid","RT":"6.193","Precursor Ion":"176.1","Product Ion":"158.1","Collision Energy":"13","Transition":"176.1 -> 158.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Indole-3-lactic acid","RT":"4.453","Precursor Ion":"206.1","Product Ion":"118.1","Collision Energy":"25","Transition":"206.1 -> 118.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Indole-3-pyruvic acid","RT":"12.162","Precursor Ion":"204.1","Product Ion":"163.2","Collision Energy":"5","Transition":"204.1 -> 163.2","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Inosine","RT":"3.794","Precursor Ion":"269.1","Product Ion":"137","Collision Energy":"21","Transition":"269.1 -> 137.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Isobutyryl-CoA","RT":"7","Precursor Ion":"838.2","Product Ion":"331.2","Collision Energy":"37","Transition":"838.2 -> 331.2","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Isoleucine","RT":"4.697","Precursor Ion":"132.1","Product Ion":"86","Collision Energy":"9","Transition":"132.1 -> 86.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Isovalerylglycine","RT":"2.889","Precursor Ion":"160.1","Product Ion":"57","Collision Energy":"17","Transition":"160.1 -> 57.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Kynurenic acid","RT":"2.338","Precursor Ion":"190.1","Product Ion":"144","Collision Energy":"25","Transition":"190.1 -> 144.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Kynurenine","RT":"4.483","Precursor Ion":"209.1","Product Ion":"192","Collision Energy":"5","Transition":"209.1 -> 192.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"L-Alloisoleucine/Leucine/Norleucine","RT":"4.468","Precursor Ion":"132.1","Product Ion":"86","Collision Energy":"9","Transition":"132.1 -> 86.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Lysine","RT":"13.2","Precursor Ion":"147.1","Product Ion":"83.9","Collision Energy":"21","Transition":"147.1 -> 83.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Melatonin","RT":"1.307","Precursor Ion":"233.1","Product Ion":"174","Collision Energy":"13","Transition":"233.1 -> 174.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Metanephrine","RT":"3.959","Precursor Ion":"198.1","Product Ion":"180.1","Collision Energy":"5","Transition":"198.1 -> 180.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Methionine","RT":"4.923","Precursor Ion":"150.1","Product Ion":"103.9","Collision Energy":"9","Transition":"150.1 -> 103.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Methylguanidine","RT":"5.73","Precursor Ion":"74.1","Product Ion":"57","Collision Energy":"13","Transition":"74.1 -> 57.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Methylhistamine","RT":"4.879","Precursor Ion":"126.1","Product Ion":"109.1","Collision Energy":"13","Transition":"126.1 -> 109.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"N,N-Dicyclohexylurea","RT":"1.239","Precursor Ion":"225.2","Product Ion":"100.1","Collision Energy":"13","Transition":"225.2 -> 100.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"N-Acetyl-D-galactosamine","RT":"4.387","Precursor Ion":"222.1","Product Ion":"204.1","Collision Energy":"","Transition":"222.1 -> 204.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"N-Acetyl-D-Glucosamine","RT":"4.542","Precursor Ion":"222.1","Product Ion":"138.2","Collision Energy":"","Transition":"222.1 -> 138.2","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"N-Acetylethanolamine","RT":"1.915","Precursor Ion":"104.1","Product Ion":"61.8","Collision Energy":"5","Transition":"104.1 -> 61.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"N-Acetylneuraminic acid","RT":"5.871","Precursor Ion":"310.1","Product Ion":"274","Collision Energy":"5","Transition":"310.1 -> 274.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"NAD","RT":"6.987","Precursor Ion":"664.1","Product Ion":"136","Collision Energy":"41","Transition":"664.1 -> 136.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"NADH","RT":"5.7","Precursor Ion":"666.1","Product Ion":"348.1","Collision Energy":"41","Transition":"666.1 -> 348.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"NADP","RT":"7.43","Precursor Ion":"745.1","Product Ion":"604.1","Collision Energy":"","Transition":"745.1 -> 604.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"NADPH","RT":"6.5","Precursor Ion":"746.1","Product Ion":"746.1","Collision Energy":"","Transition":"746.1 -> 746.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Neopterin","RT":"5.621","Precursor Ion":"254.1","Product Ion":"206","Collision Energy":"21","Transition":"254.1 -> 206.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Nicotinamide","RT":"1.746","Precursor Ion":"123.1","Product Ion":"79.8","Collision Energy":"25","Transition":"123.1 -> 79.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Nicotinic acid","RT":"3.887","Precursor Ion":"124","Product Ion":"77.9","Collision Energy":"21","Transition":"124.0 -> 77.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Nicotinuric acid","RT":"4.234","Precursor Ion":"181.1","Product Ion":"134.8","Collision Energy":"17","Transition":"181.1 -> 134.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Normetanephrine","RT":"4.462","Precursor Ion":"184.1","Product Ion":"166.1","Collision Energy":"5","Transition":"184.1 -> 166.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Norvaline","RT":"5.019","Precursor Ion":"118.1","Product Ion":"72","Collision Energy":"5","Transition":"118.1 -> 72.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Ornithine","RT":"13","Precursor Ion":"133.1","Product Ion":"70","Collision Energy":"21","Transition":"133.1 -> 70.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Pantothenic acid","RT":"4.071","Precursor Ion":"220.1","Product Ion":"90","Collision Energy":"9","Transition":"220.1 -> 90.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Phenylalanine","RT":"4.373","Precursor Ion":"166.1","Product Ion":"120.2","Collision Energy":"17","Transition":"166.1 -> 120.2","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Phenylbutazone","RT":"1.03","Precursor Ion":"309.2","Product Ion":"76.9","Collision Energy":"45","Transition":"309.2 -> 76.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Phosphocreatine","RT":"1.674","Precursor Ion":"212.1","Product Ion":"45","Collision Energy":"17","Transition":"212.1 -> 45.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Picolinic acid","RT":"5.315","Precursor Ion":"124","Product Ion":"77.7","Collision Energy":"25","Transition":"124.0 -> 77.7","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Pipecolinic acid","RT":"5.405","Precursor Ion":"130.1","Product Ion":"84","Collision Energy":"13","Transition":"130.1 -> 84.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Proline","RT":"5.408","Precursor Ion":"116.1","Product Ion":"70","Collision Energy":"13","Transition":"116.1 -> 70.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Propranolol","RT":"2.516","Precursor Ion":"260.2","Product Ion":"116","Collision Energy":"17","Transition":"260.2 -> 116.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Putrescine","RT":"6.118","Precursor Ion":"89.1","Product Ion":"72","Collision Energy":"9","Transition":"89.1 -> 72.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Pyridoxine","RT":"2.1","Precursor Ion":"170.1","Product Ion":"134.1","Collision Energy":"17","Transition":"170.1 -> 134.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Pyroglutamic acid","RT":"4.675","Precursor Ion":"130.1","Product Ion":"83.8","Collision Energy":"9","Transition":"130.1 -> 83.8","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Quinolinic acid","RT":"5.263","Precursor Ion":"168","Product Ion":"150","Collision Energy":"5","Transition":"168.0 -> 150.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"SAICAR","RT":"6.947","Precursor Ion":"455.1","Product Ion":"110","Collision Energy":"9","Transition":"455.1 -> 110.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Sarcosine","RT":"6.184","Precursor Ion":"90.1","Product Ion":"44.1","Collision Energy":"9","Transition":"90.1 -> 44.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Serine","RT":"6.824","Precursor Ion":"106.1","Product Ion":"60","Collision Energy":"9","Transition":"106.1 -> 60.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Serotonin","RT":"4.326","Precursor Ion":"177.1","Product Ion":"160","Collision Energy":"9","Transition":"177.1 -> 160.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Siacar","RT":"6.947","Precursor Ion":"455.1","Product Ion":"110","Collision Energy":"","Transition":"455.1 -> 110.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Spermidine","RT":"6.499","Precursor Ion":"146.2","Product Ion":"72","Collision Energy":"17","Transition":"146.2 -> 72.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Taurine","RT":"5.223","Precursor Ion":"126","Product Ion":"44.1","Collision Energy":"17","Transition":"126.0 -> 44.1","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Tetracaine","RT":"1.534","Precursor Ion":"265.2","Product Ion":"176","Collision Energy":"17","Transition":"265.2 -> 176.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Threonine","RT":"6.343","Precursor Ion":"120.1","Product Ion":"73.9","Collision Energy":"17","Transition":"120.1 -> 73.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"TMAO","RT":"6.187","Precursor Ion":"76.1","Product Ion":"58","Collision Energy":"21","Transition":"76.1 -> 58.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Tryptamine","RT":"3.433","Precursor Ion":"161.1","Product Ion":"144","Collision Energy":"9","Transition":"161.1 -> 144.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Tryptophan","RT":"4.437","Precursor Ion":"205.1","Product Ion":"187.9","Collision Energy":"5","Transition":"205.1 -> 187.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Tyrosine","RT":"5.284","Precursor Ion":"182.1","Product Ion":"90.9","Collision Energy":"33","Transition":"182.1 -> 90.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"UDP-GlcNAc","RT":"6.21","Precursor Ion":"608.1","Product Ion":"204.3","Collision Energy":"9","Transition":"608.1 -> 204.3","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Uracil","RT":"8.707","Precursor Ion":"113","Product Ion":"71.6","Collision Energy":"25","Transition":"113.0 -> 71.6","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Urate","RT":"4.768","Precursor Ion":"169","Product Ion":"141","Collision Energy":"13","Transition":"169.0 -> 141.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Uridine","RT":"2.95","Precursor Ion":"245.1","Product Ion":"113","Collision Energy":"5","Transition":"245.1 -> 113.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Urocanic acid","RT":"4.444","Precursor Ion":"139.1","Product Ion":"92.9","Collision Energy":"21","Transition":"139.1 -> 92.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Valine","RT":"5.224","Precursor Ion":"118.1","Product Ion":"72","Collision Energy":"5","Transition":"118.1 -> 72.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Xanthine","RT":"3.415","Precursor Ion":"153","Product Ion":"109.9","Collision Energy":"21","Transition":"153.0 -> 109.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Xanthosine","RT":"4.844","Precursor Ion":"285.1","Product Ion":"153","Collision Energy":"9","Transition":"285.1 -> 153.0","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"},{"Metabolite":"Xanthurenic acid","RT":"2","Precursor Ion":"206.1","Product Ion":"131.9","Collision Energy":"29","Transition":"206.1 -> 131.9","Scan":"MRM","Scan time range (min)":"0-25","Dwell":"5","Polarity":"Positive"}]
}

}