{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001823","ANALYSIS_ID":"AN002959","VERSION":"1","CREATED_ON":"June 8, 2021, 12:50 pm"},

"PROJECT":{"PROJECT_SUMMARY":"Horses receiving antimicrobials may develop diarrhea due to changes in the gastrointestinal microbiome and metabolome. This matched, case-controlled study compared the fecal microbiome and metabolome in hospitalized horses on antibiotics that developed diarrhea (AAD), hospitalized horses on antibiotics that did not develop diarrhea (ABX) and a healthy, non-hospitalized control population (CON). Naturally-voided fecal samples were collected from AAD horses (n=17) the day that diarrhea developed and matched to ABX (n=15) and CON (n=31) horses for diet, antimicrobial agent and duration of antimicrobial therapy (< 5 days or > 5 days). Illumina sequencing of 16S rRNA genes on fecal DNA was performed. Alpha and beta diversity metrics were generated using QIIME 2.0. A Kruskal-Wallis with Dunn’s post-test and ANOSIM testing was used for statistical analysis. Microbiome composition in AAD was significantly different from CON (ANOSIM, R= 0.568, p=0.001) and ABX (ANOSIM, R=0.121, p=0.0012). Fecal samples were lyophilized and extracted using a solvent-based method. Untargeted metabolomics using gas chromatography-mass spectrometry platforms was performed. Metabolomic data was analyzed using Metaboanalyst 4.0 and Graphpad Prism v 7. Principal component analysis plots (PCA) were used to visualize the distribution of metabolites between groups. Heat maps were used to identify the relative concentrations amongst the most abundant 25 metabolites. A one-way ANOVA was used to compare differences in metabolites amongst the three groups of horses. Only named metabolites were included in the analysis. The microbiome of AAD and ABX horses had significantly decreased richness and evenness than CON horses (p<0.05). Actinobacteria (q=0.0192) and Bacteroidetes (q=0.0005) were different between AAD and CON. Verrucomicrobia was markedly decreased in AAD compared to ABX and CON horses (q=0.0005). Horses with AAD have a dysbiosis compared to CON horses, and show minor differences in bacterial community composition to ABX horses. Metabolite profiles of horses with AAD clustered separately from those with AAD or CON. Ten metabolites were found to be significantly different between groups (P<0.05) and are listed according to their metabolic pathway: amino acid metabolism (R-equol, L-tyrosine, kynurenic acid, xanthurenic acid, 5-hydroxyindole-3-acetic acid ) lipid metabolism (docosahexaenoic acid ethyl ester), biosynthesis of secondary metabolites (daidzein, isoquinoline) and two metabolites with unidentified pathways (1,3-divinyl-2-imidazolidinone, N-acetyltyramine).","INSTITUTE":"Texas A&M University","DEPARTMENT":"Department of Large Animal Clinical Sciences","FIRST_NAME":"Carolyn","ADDRESS":"4475 TAMU College of Veterinary Medicine and Biomedical Sciences College Station, Texas 77843-4475","EMAIL":"carnold@cvm.tamu.edu","PHONE":"979-412-3145","PROJECT_TITLE":"Alterations in the fecal microbiome and metabolome of horses with antimicrobial-associated diarrhea compared to antibiotic-treated and non-treated healthy case controls","LAST_NAME":"Arnold"},

"STUDY":{"STUDY_TITLE":"Alterations in the fecal microbiome and metabolome of horses with antimicrobial-associated diarrhea compared to antibiotic-treated and non-treated healthy case controls","STUDY_SUMMARY":"Horses receiving antimicrobials may develop diarrhea due to changes in the gastrointestinal microbiome and metabolome. This matched, case-controlled study compared the fecal microbiome and metabolome in hospitalized horses on antibiotics that developed diarrhea (AAD), hospitalized horses on antibiotics that did not develop diarrhea (ABX) and a healthy, non-hospitalized control population (CON). Naturally-voided fecal samples were collected from AAD horses (n=17) the day that diarrhea developed and matched to ABX (n=15) and CON (n=31) horses for diet, antimicrobial agent and duration of antimicrobial therapy (< 5 days or > 5 days). Illumina sequencing of 16S rRNA genes on fecal DNA was performed. Alpha and beta diversity metrics were generated using QIIME 2.0. A Kruskal-Wallis with Dunn’s post-test and ANOSIM testing was used for statistical analysis. Microbiome composition in AAD was significantly different from CON (ANOSIM, R= 0.568, p=0.001) and ABX (ANOSIM, R=0.121, p=0.0012). Fecal samples were lyophilized and extracted using a solvent-based method. Untargeted metabolomics using gas chromatography-mass spectrometry platforms was performed. Metabolomic data was analyzed using Metaboanalyst 4.0 and Graphpad Prism v 7. Principal component analysis plots (PCA) were used to visualize the distribution of metabolites between groups. Heat maps were used to identify the relative concentrations amongst the most abundant 25 metabolites. A one-way ANOVA was used to compare differences in metabolites amongst the three groups of horses. Only named metabolites were included in the analysis. The microbiome of AAD and ABX horses had significantly decreased richness and evenness than CON horses (p<0.05). Actinobacteria (q=0.0192) and Bacteroidetes (q=0.0005) were different between AAD and CON. Verrucomicrobia was markedly decreased in AAD compared to ABX and CON horses (q=0.0005). Horses with AAD have a dysbiosis compared to CON horses, and show minor differences in bacterial community composition to ABX horses. Metabolite profiles of horses with AAD clustered separately from those with AAD or CON. Ten metabolites were found to be significantly different between groups (P<0.05) and are listed according to their metabolic pathway: amino acid metabolism (R-equol, L-tyrosine, kynurenic acid, xanthurenic acid, 5-hydroxyindole-3-acetic acid ) lipid metabolism (docosahexaenoic acid ethyl ester), biosynthesis of secondary metabolites (daidzein, isoquinoline) and two metabolites with unidentified pathways (1,3-divinyl-2-imidazolidinone, N-acetyltyramine).","INSTITUTE":"Texas A&M University","LAST_NAME":"Arnold","FIRST_NAME":"Carolyn","ADDRESS":"4475 TAMU College of Veterinary Medicine and Biomedical Sciences College Station, Texas 77843-4475","EMAIL":"carnold@cvm.tamu.edu","PHONE":"979-412-3145"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Equus caballus","TAXONOMY_ID":"9796"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"Horse 01",
"Sample ID":"1",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 02",
"Sample ID":"2",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 03",
"Sample ID":"3",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 04",
"Sample ID":"4",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 05",
"Sample ID":"5",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 06",
"Sample ID":"6",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 07",
"Sample ID":"7",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 08",
"Sample ID":"8",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 09",
"Sample ID":"9",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 10",
"Sample ID":"10",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 11",
"Sample ID":"11",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 12",
"Sample ID":"12",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 13",
"Sample ID":"13",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 14",
"Sample ID":"14",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 15",
"Sample ID":"15",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 16",
"Sample ID":"16",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 17",
"Sample ID":"17",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 18",
"Sample ID":"18",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 19",
"Sample ID":"19",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 20",
"Sample ID":"20",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 21",
"Sample ID":"21",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 22",
"Sample ID":"22",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 24",
"Sample ID":"24",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 25",
"Sample ID":"25",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 26",
"Sample ID":"26",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 27",
"Sample ID":"27",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 28",
"Sample ID":"28",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 29",
"Sample ID":"29",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 30",
"Sample ID":"30",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 31",
"Sample ID":"31",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 32",
"Sample ID":"32",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 33",
"Sample ID":"33",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 34",
"Sample ID":"34",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 35",
"Sample ID":"35",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 36",
"Sample ID":"36",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 37",
"Sample ID":"37",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 38",
"Sample ID":"38",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 39",
"Sample ID":"39",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 40",
"Sample ID":"40",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 41",
"Sample ID":"41",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 42",
"Sample ID":"42",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 43",
"Sample ID":"43",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 44",
"Sample ID":"44",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 45",
"Sample ID":"45",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 46",
"Sample ID":"46",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 47",
"Sample ID":"47",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 48",
"Sample ID":"48",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 49",
"Sample ID":"49",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 50",
"Sample ID":"50",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 51",
"Sample ID":"51",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 52",
"Sample ID":"52",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 53",
"Sample ID":"53",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 54",
"Sample ID":"54",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 55",
"Sample ID":"55",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 56",
"Sample ID":"56",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 57",
"Sample ID":"57",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 58",
"Sample ID":"58",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 59",
"Sample ID":"59",
"Factors":{"Group":"AAD"}
},
{
"Subject ID":"Horse 60",
"Sample ID":"60",
"Factors":{"Group":"ABX"}
},
{
"Subject ID":"Horse 61",
"Sample ID":"61",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 62",
"Sample ID":"62",
"Factors":{"Group":"CON"}
},
{
"Subject ID":"Horse 63",
"Sample ID":"63",
"Factors":{"Group":"CON"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Fecal samples were collected from horses that were matched for diet and antimicrobial agent (including dose, route and duration of therapy).","COLLECTION_PROTOCOL_FILENAME":"Collection_protocol.docx","SAMPLE_TYPE":"Feces","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"Horses were prescribed antimicrobials as prophylaxis before elective surgery (excluding surgery of the gastrointestinal tract including colic) or to treat a suspected or confirmed infection."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Five-hundred mg of feces was aliquoted into a 2ml tube, lyophilized overnight and vortexed with a 5mm stainless steel bead (Quiagen, Germantown, MD ) for 5 minutes. Samples were then extracted using a methanol:chloroform:water-based extraction method. Briefly 800 uL ice cold methanol:chloroform (1:1, v:v) was added to samples in a bead-based lysis tube (Bertin, Rockville, MD). Samples were homogenized for 30 seconds on a Precyllys 24 (Bertin, Rockville, MD) at a speed of 6000. The supernatant was collected and samples were homogenized a second time with 800 uL ice methanol:chloroform. 600 uL ice cold water was added to the combined extract, vortexed and centrifuged to separate the phases. The upper aqueous layer was passed through a 0.2 um nylon filter (Merck Millipore, Burlington, MA). 500 uL of the filtered aqueous phase was then passed through a 3 kDa cutoff column (Thermo Scientific, Waltham, MA) and the flow through was collected for analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Samples were maintained at 4 °C before injection. The injection volume was 10 µL. Chromatographic separation was achieved on a Synergi Fusion 4µm, 150 mm x 2 mm reverse phase column (Phenomenex, Torrance, CA) maintained at 30 °C using a solvent gradient method. Solvent A was water (0.1% formic acid). Solvent B was methanol (0.1% formic acid). The gradient method used was 0-5 min (10% B to 40% B), 5-7 min (40% B to 95% B), 7-9 min (95% B), 9-9.1 min (95% B to 10% B), 9.1-13 min (10% B). The flow rate was 0.4 mL min-1.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Xcalibur","COLUMN_NAME":"Phenomenex Synergi Fusion (150mm x 2mm, 4um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"MS_protocol.docx"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Sample acquisition was performed Xcalibur (Thermo Scientific)."},

"MS_METABOLITE_DATA":{
"Units":"peak intensity",

"Data":[{"Metabolite":"(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid","1":"48456.85681","2":"14822.24273","3":"35339.75633","4":"15863.99039","5":"52851.75435","6":"52585.78018","7":"2853.784543","8":"2892.438339","9":"109666.2251","10":"2665.599462","11":"11917.29193","12":"2711.164134","13":"10683.0359","14":"151175.1676","15":"21088.89896","16":"15289.71298","17":"465412.4599","18":"3116.134183","19":"694167.2437","20":"66016.73284","21":"3276.054098","22":"4937.232252","24":"135997.998","25":"11110.96353","26":"2575.669385","27":"5829.074405","28":"2165.863075","29":"4731.248845","30":"8645.862382","31":"62318.97188","32":"59477.69126","33":"7956.024248","34":"7200.344288","35":"7219.392545","36":"95566.58786","37":"178001.895","38":"5407.898497","39":"10307.04952","40":"1836.85127","41":"18607.16283","42":"1877.208172","43":"9543.591436","44":"3356.487373","45":"6885.778504","46":"1827.270651","47":"20339.42038","48":"9756.549188","49":"13987.87957","50":"138398.4907","51":"4939.227997","52":"826413.1478","53":"11417.265","54":"64493.29284","55":"98179.32262","56":"88688.93355","57":"113848.1859","58":"50391.1774","59":"7939.97475","60":"3437.516439","61":"259505.36","62":"22773.48075","63":"5180.535667"},{"Metabolite":"(3aR,4aS,5R,7aS,8S,9aR)-5-Hydroxy-4a,8-dimethyl-3-methyleneoctahydroazuleno[6,5-b]furan-2,6(3H,4H)-dione","1":"5535.65501","2":"13517.3653","3":"3417.485901","4":"8811.509596","5":"3529.671709","6":"3443.683838","7":"3206.750435","8":"3171.485051","9":"3245.429803","10":"3662.322292","11":"3198.492406","12":"3166.421928","13":"4323.106584","14":"3266.405643","15":"3184.758029","16":"3463.88367","17":"3326.645775","18":"13581.54397","19":"3813.713878","20":"2973.501075","21":"3268.736887","22":"448905.606","24":"3208.639111","25":"3064.156633","26":"19057.02039","27":"3119.13178","28":"3026.12407","29":"3023.884408","30":"3033.197529","31":"3135.642474","32":"3173.45256","33":"3040.226388","34":"3005.952096","35":"2989.603129","36":"3810.271463","37":"3045.541084","38":"2973.697663","39":"3107.483138","40":"3001.3158","41":"4392.440411","42":"3102.817205","43":"2987.07573","44":"3070.574056","45":"2922.762383","46":"3021.513643","47":"4455.331151","48":"3123.425972","49":"3606.520271","50":"3591.673231","51":"3713.154255","52":"5250.465423","53":"3737.259953","54":"3807.302612","55":"3534.21616","56":"22644.00764","57":"5123.67286","58":"16752.35156","59":"23939.77416","60":"6001.188331","61":"3633.660757","62":"5207.256146","63":"3728.732814"},{"Metabolite":"(3aR,8R,8aR,9aR)-8-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one","1":"11535.45577","2":"9469.527981","3":"9578.626352","4":"8670.838366","5":"9944.37328","6":"8534.291117","7":"8736.76106","8":"9518.144052","9":"8691.378679","10":"9128.206607","11":"11417.76697","12":"9167.942268","13":"8480.002842","14":"9181.197505","15":"9085.928654","16":"9956.759609","17":"9565.254336","18":"8732.651492","19":"12428.26066","20":"8072.097542","21":"8339.934112","22":"8417.203516","24":"8699.954675","25":"8260.5809","26":"9254.252641","27":"8454.211493","28":"7915.588593","29":"7807.084555","30":"8001.646806","31":"7996.916341","32":"8146.547046","33":"8037.056881","34":"8021.923988","35":"8188.40887","36":"8214.458035","37":"8912.656277","38":"7992.310766","39":"8333.765197","40":"7950.83736","41":"8351.453516","42":"8040.435222","43":"8078.39405","44":"7790.67848","45":"7832.808915","46":"7933.703377","47":"7956.907497","48":"8304.74065","49":"10237.59052","50":"10006.4507","51":"10630.24353","52":"10484.36149","53":"10701.81494","54":"20121.97135","55":"9590.480096","56":"15684.41948","57":"11953.82531","58":"10314.49487","59":"9731.126476","60":"1155565.506","61":"10676.47822","62":"9735.750261","63":"10401.30645"},{"Metabolite":"(4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid","1":"8270.894703","2":"7695.731164","3":"8071.136509","4":"7492.413868","5":"7523.835676","6":"7708.613309","7":"7554.738837","8":"7504.445166","9":"7372.030149","10":"7735.933339","11":"7771.854235","12":"7359.274922","13":"7368.926384","14":"7399.914316","15":"7259.817557","16":"15388.43138","17":"9020.615169","18":"7719.525678","19":"7707.764608","20":"7115.778954","21":"7514.387356","22":"8132.168445","24":"7435.17273","25":"8032.86795","26":"13158.63008","27":"7584.237047","28":"7113.474207","29":"7277.419133","30":"7169.865414","31":"7283.726752","32":"7154.196073","33":"7131.528981","34":"6903.621634","35":"7134.064342","36":"7184.084343","37":"7889.619799","38":"7256.80862","39":"7207.981958","40":"7149.564968","41":"8557.778752","42":"8013.144814","43":"7187.487792","44":"7007.167048","45":"7071.128448","46":"7119.387865","47":"7251.66771","48":"7360.609173","49":"8690.672262","50":"8640.072452","51":"8170.340405","52":"8551.615069","53":"10106.12627","54":"9182.887688","55":"8373.750511","56":"8347.974205","57":"78100.4587","58":"16901.72283","59":"63344.29872","60":"1901275.579","61":"10939.75756","62":"22030.25175","63":"8275.871466"},{"Metabolite":"(R)-Equol","1":"3140.301627","2":"152204.5854","3":"69206.26725","4":"250068.5934","5":"3186.236235","6":"271873.3384","7":"45725.17638","8":"692483.1154","9":"2584.875713","10":"311680.0606","11":"10060.31234","12":"250731.1723","13":"48884.99097","14":"165089.3836","15":"276402.6075","16":"23786.83356","17":"17778.34441","18":"2725.939834","19":"3119.391216","20":"22947.39392","21":"39063.92071","22":"2805.48887","24":"48246.31156","25":"193164.1046","26":"138041.1993","27":"78879.7495","28":"12379.40444","29":"21592.4892","30":"11176.22485","31":"20450.86796","32":"5721.422576","33":"13325.71112","34":"16474.58678","35":"25783.9105","36":"5105.353532","37":"8688.617907","38":"4045.314826","39":"2404.81439","40":"36266.46795","41":"136364.9606","42":"35934.55352","43":"2458.168566","44":"24043.5174","45":"29765.99118","46":"25483.02015","47":"46581.39395","48":"16761.81204","49":"692663.4231","50":"534289.3731","51":"3235.325264","52":"244153.6437","53":"843410.9105","54":"56345.72013","55":"61697.80794","56":"192954.6505","57":"41229.40578","58":"365913.8","59":"3246.666901","60":"41378.73958","61":"67941.75704","62":"551889.0938","63":"507334.9438"},{"Metabolite":"1,2,3,4-Tetramethyl-1,3-cyclopentadiene","1":"10165.34331","2":"7628.226311","3":"5731.740586","4":"104482.7554","5":"25334.10304","6":"121319.323","7":"4655.048638","8":"98652.48741","9":"103924.0641","10":"4333.257265","11":"3922.160399","12":"95010.13742","13":"98791.99347","14":"3982.17518","15":"3753.909885","16":"91017.39632","17":"83183.29735","18":"3876.754482","19":"3893.900643","20":"89585.9403","21":"3671.456978","22":"90091.05744","24":"3649.228957","25":"88049.8061","26":"3727.672384","27":"89847.85293","28":"87053.44935","29":"83657.07847","30":"97167.53296","31":"126098.6029","32":"131827.2654","33":"3637.232178","34":"92772.40452","35":"91254.19212","36":"3660.974095","37":"92201.12896","38":"3606.343322","39":"86988.37613","40":"3589.490498","41":"20839.78015","42":"102644.9534","43":"97161.77631","44":"95081.68609","45":"4396.096071","46":"87497.84636","47":"3677.101754","48":"3586.78527","49":"92005.69096","50":"96619.91561","51":"3701.322296","52":"26505.02893","53":"93700.78131","54":"3904.037653","55":"3599.674164","56":"3703.344061","57":"3566.600193","58":"3525.130729","59":"89736.94992","60":"87854.2027","61":"3542.840658","62":"88686.16072","63":"89999.19141"},{"Metabolite":"1,3-Divinyl-2-imidazolidinone","1":"8605.095838","2":"6020.147754","3":"4377.402795","4":"4295.950646","5":"4314.412816","6":"4275.304558","7":"4355.947427","8":"4315.672931","9":"5560.235785","10":"4476.771077","11":"4646.20256","12":"4379.600347","13":"4238.741879","14":"4677.018816","15":"4307.531326","16":"5680.078844","17":"4337.108765","18":"23442.32365","19":"4402.645955","20":"4294.40209","21":"4417.394071","22":"65188.69971","24":"4737.110041","25":"4360.465273","26":"4334.569736","27":"4315.750405","28":"4008.315845","29":"4225.907082","30":"4825.656669","31":"4125.028023","32":"4213.041848","33":"4230.694103","34":"4268.389118","35":"4394.955385","36":"4192.097778","37":"4221.882967","38":"4196.75678","39":"4187.864255","40":"4044.762968","41":"4154.471169","42":"4260.441826","43":"38583.42594","44":"9465.506086","45":"4099.018097","46":"4068.96847","47":"4823.689732","48":"4401.489806","49":"4648.522758","50":"4905.940107","51":"4759.840471","52":"4936.229664","53":"5060.826317","54":"5005.40624","55":"17673.35648","56":"4754.705953","57":"4895.191198","58":"4764.153063","59":"7498.148069","60":"5381.471224","61":"4792.740007","62":"5039.984734","63":"5776.326178"},{"Metabolite":"1,5-Isoquinolinediol","1":"247896.7178","2":"109932.167","3":"97447.05265","4":"548604.4276","5":"6293976.685","6":"22186.39154","7":"167904.5286","8":"12837.52605","9":"9080.2702","10":"104118.2374","11":"8299420.19","12":"29927.06399","13":"150044.0084","14":"8711324.211","15":"285657.3747","16":"183786.5109","17":"204587.3786","18":"32390.42593","19":"9865363.454","20":"20777.6814","21":"84944.45102","22":"82517.92535","24":"378559.0836","25":"51689.0801","26":"9400.4001","27":"2462999.041","28":"192163.4065","29":"33199.71689","30":"82755.94725","31":"242099.2661","32":"91980.88155","33":"45603.22961","34":"172571.9374","35":"91349.42167","36":"71898.16147","37":"73379.87945","38":"116694.1472","39":"86074.03404","40":"46204.97347","41":"87635.55552","42":"21963.82763","43":"85565.15704","44":"79472.16576","45":"8708.921169","46":"406008.2642","47":"335938.9416","48":"82638.43738","49":"416034.6656","50":"7465667.788","51":"26598.5014","52":"282487.627","53":"4062556.384","54":"8809089.603","55":"51469.426","56":"103032.9841","57":"43002.15959","58":"13257737.14","59":"185770.6641","60":"139557.7363","61":"860877.2037","62":"32253.2968","63":"4371636.355"},{"Metabolite":"2,3,4,9-Tetrahydro-1H-?-carboline-3-carboxylic acid","1":"21994.63712","2":"5485996.063","3":"42127.73323","4":"9553.038615","5":"11665.47646","6":"4629599.15","7":"29831.9373","8":"279520.1961","9":"146221.8104","10":"4857840.103","11":"11581.28","12":"7150.288217","13":"531490.5088","14":"2442676.949","15":"366940.0035","16":"23304.29794","17":"195543.8414","18":"133313.5449","19":"8586.200372","20":"4136.780097","21":"6085.337551","22":"127604.1925","24":"6931.946889","25":"118561.6134","26":"5768.498839","27":"5325.953943","28":"5511.784977","29":"4152.604184","30":"11928.50529","31":"42245.97352","32":"14833.48667","33":"4055.226374","34":"3986.658385","35":"4041.118104","36":"4194.469138","37":"129020.9495","38":"49845.32404","39":"74617.31016","40":"118863.759","41":"93957.54131","42":"15324.06919","43":"4354.115014","44":"4110.281319","45":"4130.362731","46":"5656.899862","47":"361636.7227","48":"367465.5745","49":"2101177.923","50":"18137.50753","51":"558864.9324","52":"413468.2899","53":"11646.4879","54":"11577.26241","55":"896972.0636","56":"11950.25014","57":"6808.67475","58":"10174.26313","59":"783228.6378","60":"72880.24075","61":"12715.30869","62":"252059.3008","63":"408372.6484"},{"Metabolite":"2,3,5,6-Tetramethylpyrazine","1":"4337.416732","2":"4284.190771","3":"4218.134209","4":"4245.277921","5":"4647.30283","6":"4116.827455","7":"4182.593147","8":"4418.005735","9":"4226.672553","10":"4279.155486","11":"4229.041553","12":"4166.92785","13":"4129.901847","14":"4130.370286","15":"4063.17558","16":"4247.187567","17":"4438.600917","18":"4427.882025","19":"4290.973035","20":"3955.855658","21":"4122.9764","22":"4083.845685","24":"4179.387642","25":"6673.681308","26":"4054.51053","27":"5063.392325","28":"3852.623815","29":"3962.166493","30":"3946.708347","31":"4156.840328","32":"3965.694993","33":"3914.265942","34":"3849.876449","35":"3952.142111","36":"3975.082873","37":"4228.562883","38":"3926.292","39":"3887.540297","40":"4000.507533","41":"4074.987153","42":"4016.249137","43":"3958.030875","44":"3927.618146","45":"3892.979826","46":"3993.455653","47":"6640.290959","48":"4152.704426","49":"4401.456294","50":"4622.202133","51":"530245.6726","52":"6431.357206","53":"4590.044645","54":"4454.4378","55":"859292.4283","56":"4967.185318","57":"4792.096656","58":"4533.15153","59":"4874.925406","60":"4897.363685","61":"6314.854178","62":"4893.977642","63":"47216.19731"},{"Metabolite":"2,4-Dimethylbenzaldehyde","1":"223202.5775","2":"250700.2985","3":"511391.1384","4":"86733.33473","5":"322845.8743","6":"111668.4081","7":"67847.24322","8":"336075.6747","9":"390866.4584","10":"221165.8235","11":"360368.5813","12":"457259.1542","13":"428136.2324","14":"244156.8897","15":"316083.7731","16":"270259.9368","17":"287765.1664","18":"393650.6699","19":"389573.9811","20":"219542.8634","21":"286185.9634","22":"295229.3216","24":"231458.7728","25":"351825.6173","26":"305033.8218","27":"384516.4005","28":"208038.2651","29":"230596.5137","30":"242838.3425","31":"162854.1906","32":"224455.1469","33":"218068.9598","34":"238963.633","35":"261492.2956","36":"206380.0901","37":"168648.1778","38":"264950.1973","39":"211038.5911","40":"235317.7565","41":"220519.3094","42":"230951.0846","43":"231284.5151","44":"236189.0285","45":"221994.0713","46":"213791.1131","47":"156974.116","48":"369428.2518","49":"105736.5787","50":"408393.7146","51":"429234.4311","52":"391099.4763","53":"580161.5321","54":"430147.577","55":"472164.244","56":"114366.5696","57":"481085.6538","58":"384694.6929","59":"366642.7074","60":"537378.6538","61":"551265.0966","62":"1157581.454","63":"1008862.002"},{"Metabolite":"2-Acetamidophenol","1":"28800.77997","2":"107823.9844","3":"8362.654097","4":"20559.5012","5":"17132.73836","6":"26173.55203","7":"30338.80906","8":"35792.57435","9":"22344.68207","10":"85397.51304","11":"26704.62047","12":"30046.34514","13":"70436.68962","14":"84242.48684","15":"12416.53375","16":"40700.06497","17":"17239.60512","18":"22010.7487","19":"17284.21887","20":"8064.121932","21":"10035.70327","22":"46395.66891","24":"19444.0539","25":"45820.02232","26":"36484.10453","27":"56945.43023","28":"11450.38873","29":"8953.991965","30":"7964.517136","31":"10492.74698","32":"8048.656547","33":"7579.483314","34":"7866.997475","35":"8068.121039","36":"7871.22556","37":"47570.91014","38":"17563.36693","39":"11419.10631","40":"10941.37415","41":"9883.182788","42":"8662.292692","43":"7917.62093","44":"8000.175955","45":"16957.76541","46":"8143.700234","47":"11251.38575","48":"54813.36084","49":"42702.85157","50":"23789.87798","51":"783307.2464","52":"18678.89766","53":"90191.25419","54":"9275.753499","55":"668345.0657","56":"28172.40123","57":"30342.49604","58":"153921.5367","59":"24063.30909","60":"40347.46618","61":"84571.64769","62":"10659.2985","63":"127191.2497"},{"Metabolite":"2-Anisic acid","1":"10327.80489","2":"46977.53698","3":"36056.21706","4":"41374.89993","5":"11000.24766","6":"47683.18375","7":"25290.13471","8":"28360.9767","9":"29965.51834","10":"49724.12791","11":"62971.9066","12":"24480.43319","13":"32149.23197","14":"29207.22441","15":"35753.69361","16":"29709.63802","17":"17084.77676","18":"44692.86743","19":"31237.22464","20":"7899.721863","21":"33541.85229","22":"44540.27061","24":"29763.01421","25":"25458.98816","26":"30028.38091","27":"24166.10917","28":"20546.86205","29":"23580.85678","30":"20598.81817","31":"22345.75207","32":"7949.375656","33":"7764.879975","34":"22548.44335","35":"23751.80612","36":"8307.521277","37":"74581.69385","38":"46554.59969","39":"20926.7377","40":"26631.14344","41":"25398.25575","42":"20312.99475","43":"26584.43151","44":"27309.48608","45":"20532.15801","46":"22316.89176","47":"35858.23273","48":"28715.14858","49":"31628.6154","50":"35824.12134","51":"14905.44113","52":"60666.26875","53":"41472.29414","54":"50764.92897","55":"34625.11763","56":"34533.3233","57":"23615.4857","58":"20288.06373","59":"43718.23657","60":"40062.45904","61":"16099.84879","62":"25185.12754","63":"46147.9715"},{"Metabolite":"2'-Deoxyadenosine","1":"344428.1728","2":"820748.9712","3":"5392.168282","4":"769323.9874","5":"18717.70492","6":"276040.8331","7":"501414.4709","8":"2186163.181","9":"6689.950446","10":"480532.908","11":"423839.9626","12":"1069973.527","13":"55726.8746","14":"264313.3201","15":"741374.8264","16":"538265.8421","17":"260710.7574","18":"26079.60096","19":"186754.4965","20":"43405.53342","21":"396063.3953","22":"15430.92613","24":"477074.093","25":"342201.8611","26":"390626.0288","27":"274060.9045","28":"296242.8261","29":"455310.0748","30":"194237.8964","31":"98278.69876","32":"38884.32243","33":"35628.48868","34":"95218.76896","35":"91853.48198","36":"68049.83052","37":"194197.369","38":"117363.1855","39":"76685.81984","40":"133933.4244","41":"258177.9464","42":"176286.9176","43":"309766.0317","44":"191958.795","45":"21811.51299","46":"62033.47323","47":"185001.9106","48":"117609.4774","49":"538701.8579","50":"818261.9668","51":"186900.7543","52":"165002.3681","53":"1107439.073","54":"7967.397655","55":"244690.5624","56":"52324.19619","57":"64410.96886","58":"724882.0593","59":"389799.3796","60":"495019.5477","61":"138201.1855","62":"311415.585","63":"726645.0906"},{"Metabolite":"2'-Deoxyinosine","1":"31465.98981","2":"2397985.723","3":"61632.8787","4":"1075557.638","5":"68284.69189","6":"622527.1681","7":"1354711.486","8":"1369238.901","9":"34916.78418","10":"1011203.455","11":"897998.1586","12":"1200580.84","13":"36977.30914","14":"468312.8713","15":"1201304.113","16":"1782312.418","17":"352266.5944","18":"27967.07414","19":"215750.3575","20":"161678.5756","21":"1564538.128","22":"83605.39305","24":"1860875.95","25":"1465367.636","26":"1539878.411","27":"1022598.933","28":"445971.0781","29":"414602.6379","30":"242270.7972","31":"199114.5001","32":"96084.40013","33":"146655.1839","34":"182306.0409","35":"446088.5789","36":"441121.1878","37":"440142.9526","38":"188347.2951","39":"125741.1841","40":"331057.6054","41":"367195.1633","42":"211264.5722","43":"1052878.333","44":"419239.7751","45":"348165.6319","46":"464687.4483","47":"536521.7674","48":"395226.6278","49":"1150842.207","50":"1248058.525","51":"112533.7275","52":"22869.78761","53":"1110905.973","54":"30863.57619","55":"2125753.202","56":"1998015.218","57":"1182164.116","58":"1230299.924","59":"1261470.624","60":"991252.4506","61":"3116299.208","62":"1410135.062","63":"1319755.284"},{"Metabolite":"2-Hydroxyquinoline","1":"196807.552","2":"19302.40523","3":"755579.7353","4":"1099146.871","5":"926110.5511","6":"38982.5114","7":"1387758.4","8":"140208.0584","9":"6090.080871","10":"8191.126161","11":"939233.9114","12":"428574.0848","13":"245195.1061","14":"884783.5797","15":"918561.3947","16":"238821.4929","17":"105978.036","18":"24629.81779","19":"8414156.479","20":"70166.79739","21":"330490.1845","22":"7238.162651","24":"389810.4084","25":"3405247.855","26":"355713.3868","27":"234920.9436","28":"49063.79829","29":"79292.25022","30":"81117.03994","31":"56032.14931","32":"17526.89034","33":"29051.24997","34":"69462.27373","35":"65467.32861","36":"13434.5731","37":"20833.98635","38":"106509.9062","39":"86995.58131","40":"48840.70174","41":"31759.42108","42":"56089.69317","43":"23484.09916","44":"11615.43137","45":"34206.47299","46":"291601.241","47":"248980.321","48":"917911.8865","49":"1992158.563","50":"1322823.857","51":"36501.87402","52":"92680.64037","53":"1865460.718","54":"178721.7752","55":"166933.7534","56":"387073.7474","57":"978459.9593","58":"1399304.729","59":"284813.3427","60":"1819227.02","61":"836886.038","62":"416767.968","63":"5745062.386"},{"Metabolite":"2-Oxindole","1":"1789159.068","2":"1090644.973","3":"1666702.205","4":"674364.434","5":"1447600.449","6":"808272.8915","7":"503884.7437","8":"485978.5487","9":"133469.7609","10":"3403857.237","11":"221077.5864","12":"3987224.626","13":"509480.3718","14":"1799921.817","15":"824946.7626","16":"5536668.62","17":"974846.9394","18":"415940.8497","19":"2395159.087","20":"195039.2101","21":"2603869.387","22":"166786.0259","24":"714859.1891","25":"1210684.099","26":"3490978.55","27":"1909380.294","28":"247977.6448","29":"180964.296","30":"164865.0097","31":"204880.0769","32":"102745.5648","33":"107914.3972","34":"91068.26536","35":"273589.0741","36":"584764.0885","37":"498345.2735","38":"408833.9907","39":"1013893.179","40":"620612.3453","41":"221317.7224","42":"50956.64243","43":"439403.2014","44":"190333.2422","45":"355663.0264","46":"524980.8684","47":"194013.0155","48":"301190.3262","49":"1707044.151","50":"2324376.805","51":"945831.8232","52":"866953.6136","53":"5103918.02","54":"119545.1749","55":"1889781.762","56":"1400892.931","57":"1253503.08","58":"3492999.292","59":"3917606.546","60":"7213297.853","61":"4307363.385","62":"1082706.293","63":"8042542.13"},{"Metabolite":"3-(2-Hydroxyethyl)indole","1":"7961.909565","2":"20022.91219","3":"183605.5271","4":"11777.41453","5":"46311.67501","6":"32874.67723","7":"13173.19434","8":"30490.26993","9":"18308.10437","10":"33027.39671","11":"14418.17088","12":"23236.66377","13":"45462.439","14":"7702.897237","15":"10648.06104","16":"22098.049","17":"7120.07393","18":"228546.7999","19":"7818.548613","20":"6984.91728","21":"10709.31018","22":"8830.368376","24":"16444.67371","25":"14441.77713","26":"13178.883","27":"31020.50419","28":"4660.966826","29":"4657.341523","30":"3851.472875","31":"4747.506907","32":"4383.281231","33":"3584.675133","34":"3690.309477","35":"4400.852479","36":"3820.85168","37":"3996.198838","38":"3809.99545","39":"3954.675297","40":"5849.844656","41":"7902.300761","42":"4855.492562","43":"6175.985577","44":"4020.739847","45":"4498.881904","46":"4188.361861","47":"9286.962352","48":"17681.39046","49":"19168.30496","50":"27191.40558","51":"126746.8833","52":"94312.47558","53":"154892.5632","54":"137102.9892","55":"43487.55026","56":"25960.80308","57":"148961.8058","58":"67777.67233","59":"29863.73805","60":"20724.13545","61":"39776.81217","62":"41300.96936","63":"86230.82992"},{"Metabolite":"4-Acetamidobenzoic acid","1":"8343.776072","2":"14428.47918","3":"3303.93571","4":"31381.4798","5":"3667.404172","6":"16245.425","7":"20218.055","8":"23806.04161","9":"3310.136227","10":"19191.73217","11":"35413.4135","12":"23516.66275","13":"3262.440731","14":"5276.572719","15":"8713.680943","16":"139046.1785","17":"4553.092627","18":"3285.354718","19":"3994.991812","20":"3132.985487","21":"3809.814734","22":"4566.168473","24":"3225.631004","25":"8829.495869","26":"3315.965216","27":"3176.191835","28":"4296.380802","29":"3244.065426","30":"3080.586509","31":"5555.89375","32":"3963.954262","33":"4107.297253","34":"3408.572073","35":"3095.422338","36":"3090.945938","37":"73087.44617","38":"27503.50806","39":"3103.810731","40":"3098.948165","41":"3131.709826","42":"3872.228537","43":"4496.429038","44":"3084.262711","45":"7408.606794","46":"3088.75841","47":"3092.399368","48":"3247.119789","49":"44968.84323","50":"12800.59494","51":"22144.46615","52":"18714.52035","53":"3777.88542","54":"8280.194865","55":"3926.528552","56":"16565.85938","57":"71936.15499","58":"21369.55704","59":"22869.81535","60":"214193.2739","61":"39549.35271","62":"10429.93685","63":"60399.06057"},{"Metabolite":"4-Amino-3-hydroxybenzoic acid","1":"21973.09725","2":"939169.1702","3":"12694.54779","4":"21498.26887","5":"14391.15143","6":"221080.7865","7":"11112.69778","8":"51144.09582","9":"45794.0349","10":"263322.4354","11":"11684.80408","12":"51054.36738","13":"105613.8333","14":"31636.53877","15":"14037.32422","16":"16006.90738","17":"95548.29306","18":"132758.6146","19":"20202.8852","20":"4513.768441","21":"22109.17281","22":"270611.9603","24":"145786.8722","25":"37247.8991","26":"30790.07327","27":"12529.27902","28":"4844.797276","29":"6126.400599","30":"6367.09883","31":"22017.24904","32":"4571.671793","33":"4702.771709","34":"5893.782189","35":"9762.040558","36":"12484.07965","37":"760692.2713","38":"297149.1085","39":"26432.15321","40":"26243.47786","41":"20229.60699","42":"4686.394021","43":"5900.474794","44":"24308.27291","45":"17455.43817","46":"8661.60969","47":"73531.01236","48":"295632.8637","49":"341664.3839","50":"246151.0509","51":"956604.5499","52":"516215.6472","53":"49443.73359","54":"40382.21421","55":"290589.5709","56":"154494.6459","57":"69689.22474","58":"28608.76022","59":"47387.38433","60":"21312.50377","61":"57793.50579","62":"471412.3444","63":"141496.8654"},{"Metabolite":"4-Amino-6-chloro-1,3-benzenedisulfonamide","1":"4414.686737","2":"4608.401081","3":"4341.166337","4":"4317.395634","5":"4570.191109","6":"4615.364486","7":"4429.076547","8":"4468.943458","9":"4438.975354","10":"4548.3475","11":"5369.776887","12":"4265.896248","13":"4673.253712","14":"4288.492799","15":"4221.440773","16":"4334.659201","17":"4536.745774","18":"8249.711212","19":"4330.802157","20":"3997.458117","21":"4439.800981","22":"12060.19452","24":"4331.979744","25":"4213.265173","26":"4324.69323","27":"4179.960512","28":"4149.895046","29":"4059.177387","30":"3983.874804","31":"4551.200222","32":"4051.719505","33":"5493.75202","34":"4210.073415","35":"4063.45895","36":"5251.63264","37":"5574.913897","38":"5957.900118","39":"4914.399853","40":"4187.523577","41":"11957.23661","42":"4054.49071","43":"4252.527806","44":"6865.814577","45":"4031.086127","46":"4013.782793","47":"4021.752885","48":"4621.480296","49":"5028.332106","50":"4944.682957","51":"19198.47436","52":"5726.246384","53":"5009.045376","54":"5505.978041","55":"12070.69182","56":"370722.7411","57":"5191.621295","58":"5060.212748","59":"4957.424031","60":"5390.841446","61":"5127.64555","62":"5112.488915","63":"5052.279051"},{"Metabolite":"4-Aminobenzoic acid","1":"99733.06149","2":"515847.4634","3":"75556.02191","4":"52819.45462","5":"58317.26265","6":"151249.795","7":"58488.06332","8":"59548.952","9":"42299.90118","10":"174482.499","11":"86120.28854","12":"64593.47253","13":"178957.1867","14":"96548.44673","15":"80866.53265","16":"94916.01623","17":"108272.5057","18":"235235.7532","19":"73709.64055","20":"25880.59838","21":"120844.6929","22":"113320.6032","24":"87860.43839","25":"50497.05493","26":"101399.0552","27":"57094.61495","28":"25840.16257","29":"24908.40834","30":"16783.05774","31":"124010.0918","32":"57860.95863","33":"16465.85054","34":"17410.30508","35":"17060.46767","36":"19909.91724","37":"82422.69385","38":"32391.48748","39":"40684.63477","40":"37583.60488","41":"41089.12297","42":"18727.26414","43":"17733.12515","44":"17778.60834","45":"17382.723","46":"39520.94584","47":"76805.1849","48":"49198.46167","49":"97123.65125","50":"204923.4822","51":"2748632.527","52":"316078.4319","53":"129965.1608","54":"84667.55561","55":"178740.1228","56":"135818.7423","57":"96350.74558","58":"106931.2066","59":"94875.8202","60":"174372.7633","61":"152230.2359","62":"99993.43711","63":"210812.8538"},{"Metabolite":"4-Coumaric acid","1":"106971.0261","2":"1658646.05","3":"198933.6255","4":"855438.2407","5":"81969.26167","6":"233543.4013","7":"939091.8583","8":"710260.6628","9":"73748.87199","10":"186010.0042","11":"884560.5291","12":"258758.1292","13":"235943.7932","14":"135045.777","15":"420658.7915","16":"396522.0426","17":"368883.1556","18":"88528.92521","19":"103845.3325","20":"28598.12055","21":"704789.6731","22":"55076.8415","24":"690821.1015","25":"526865.1125","26":"835510.3049","27":"621086.1176","28":"145332.3263","29":"180732.1088","30":"96951.32977","31":"108749.6233","32":"40011.46442","33":"53184.90233","34":"93422.10107","35":"66984.40183","36":"168159.1306","37":"234504.8808","38":"50400.7225","39":"27576.42564","40":"93973.2506","41":"133403.7692","42":"105892.954","43":"56738.84328","44":"35995.2005","45":"76834.98656","46":"123087.8133","47":"93085.44912","48":"403699.7424","49":"861757.7078","50":"497460.163","51":"312988.6256","52":"496569.2561","53":"664635.8218","54":"298451.1369","55":"206893.6357","56":"857643.2016","57":"748486.2624","58":"256910.3079","59":"187500.1592","60":"1827252.635","61":"268827.9583","62":"3733149.593","63":"1012148.977"},{"Metabolite":"4-Ethoxy ethylbenzoate","1":"2147937.79","2":"2243863.519","3":"2355804.412","4":"2436151.345","5":"2203920.007","6":"2312632.025","7":"2348034.723","8":"2190712.25","9":"2317413.624","10":"2144265.171","11":"2307403.949","12":"2088685.257","13":"2427331.647","14":"2151285.579","15":"2671154.717","16":"2272067.598","17":"1317542.008","18":"2319726.179","19":"2474601.55","20":"986234.3551","21":"2829204.782","22":"2231442.751","24":"2498330.487","25":"2047416.417","26":"2778744.055","27":"2171135.272","28":"1021200.514","29":"1114413.534","30":"950145.7727","31":"1038689.776","32":"697684.6826","33":"769296.6624","34":"810004.7017","35":"779934.0292","36":"776337.6827","37":"897133.6444","38":"797446.0688","39":"856290.0991","40":"782914.5616","41":"920585.3449","42":"822127.603","43":"774492.178","44":"750535.0305","45":"653277.9757","46":"803079.6592","47":"713297.359","48":"2325689.526","49":"3395896.637","50":"4007954.308","51":"4632751.065","52":"3259488.029","53":"4363628.871","54":"4906862.45","55":"4202913.969","56":"4065464.117","57":"4163843.308","58":"3879675.609","59":"3045292.102","60":"4195149.716","61":"3534118.364","62":"2893952.137","63":"2836939.998"},{"Metabolite":"4-Ethylbenzaldehyde","1":"10126.3868","2":"13127.54972","3":"533279.6994","4":"8626.242917","5":"9296.130999","6":"9333.35194","7":"39964.49375","8":"9032.698335","9":"5389.269378","10":"24815.61256","11":"16071.22789","12":"10860.12101","13":"5244.419744","14":"6788.545886","15":"10731.58697","16":"13833.86276","17":"5911.935344","18":"6605.853275","19":"18247.15514","20":"4899.82049","21":"14430.58339","22":"7203.629262","24":"9591.973442","25":"48325.45687","26":"5298.201566","27":"5083.239382","28":"5265.510501","29":"5000.970987","30":"4960.92463","31":"5117.099681","32":"5027.563079","33":"4899.178663","34":"4707.210806","35":"4924.692705","36":"6615.051789","37":"5088.58066","38":"4930.111414","39":"6816.622467","40":"4985.815408","41":"4966.158621","42":"4926.466317","43":"6902.308824","44":"5426.234188","45":"4940.980428","46":"5563.570478","47":"8005.58548","48":"5371.941277","49":"16189.3597","50":"19811.95875","51":"11052.46891","52":"6535.651614","53":"15391.99571","54":"6367.75335","55":"12204.2891","56":"34956.72198","57":"14350.60501","58":"71714.40068","59":"34309.92556","60":"16454.91172","61":"32291.05809","62":"6039.689146","63":"677852.4214"},{"Metabolite":"4-Indolecarbaldehyde","1":"57922.17366","2":"235030.5333","3":"177384.3906","4":"56095.14579","5":"100713.1421","6":"183208.5251","7":"36823.62274","8":"57936.15751","9":"193541.5042","10":"97472.83228","11":"21343.78303","12":"57662.66156","13":"101116.9098","14":"45693.51068","15":"55574.53865","16":"88390.18331","17":"70642.16207","18":"479828.0447","19":"107982.1635","20":"10021.47124","21":"64953.72719","22":"115029.4302","24":"39919.87442","25":"56413.31152","26":"83396.92711","27":"154624.8675","28":"20478.42306","29":"18191.66067","30":"13000.07824","31":"24546.77769","32":"12038.89055","33":"5539.578967","34":"11765.39899","35":"23894.99771","36":"18583.94689","37":"53574.40516","38":"29402.0093","39":"25596.2836","40":"34001.98225","41":"23611.56832","42":"9764.026202","43":"133662.5584","44":"39171.62004","45":"22498.023","46":"18391.16026","47":"31799.85101","48":"43958.84718","49":"59829.42584","50":"162212.0818","51":"251921.4308","52":"766597.7558","53":"75360.48372","54":"126338.5389","55":"461095.1409","56":"98657.62877","57":"47689.18514","58":"145107.1097","59":"99989.73118","60":"248762.789","61":"120346.3638","62":"212682.1168","63":"282822.0353"},{"Metabolite":"4-Methoxycinnamic acid","1":"4886.902573","2":"4984.488909","3":"48307.896","4":"8359.222393","5":"4895.630295","6":"4844.940554","7":"4752.732727","8":"10493.4453","9":"4840.561848","10":"5065.326323","11":"4802.617868","12":"4672.697848","13":"4691.466307","14":"4518.274804","15":"12018.61301","16":"672725.8012","17":"18510.42294","18":"5621.080764","19":"6625.757116","20":"3585.810729","21":"4899.916935","22":"5285.742949","24":"4449.736699","25":"4331.934594","26":"272756.8473","27":"4675.729909","28":"3491.67365","29":"3662.801428","30":"3573.37586","31":"3798.134296","32":"3497.092512","33":"3489.224624","34":"3429.164957","35":"3549.469097","36":"3522.719687","37":"3567.630529","38":"3476.100785","39":"3640.878604","40":"3712.543948","41":"3804.948124","42":"3675.530089","43":"3708.8981","44":"3535.782741","45":"3683.938393","46":"3811.915898","47":"3898.106896","48":"4743.078895","49":"5639.182942","50":"5369.918035","51":"5665.84709","52":"11295.62559","53":"7011.961329","54":"279492.1477","55":"5701.342292","56":"10601.30039","57":"123200.9578","58":"7576.030266","59":"5258.786884","60":"515770.3737","61":"5876.068848","62":"94366.26122","63":"5057.635755"},{"Metabolite":"5-Hydroxyindole-3-acetic acid","1":"13658.51707","2":"15872.20963","3":"28029.78235","4":"20329.72405","5":"16718.62524","6":"218640.3425","7":"13709.49051","8":"16390.99254","9":"175566.9337","10":"75811.6509","11":"14383.23408","12":"15738.56927","13":"102489.1024","14":"13985.3539","15":"14452.33729","16":"17903.27043","17":"14857.74401","18":"130378.926","19":"13828.80876","20":"13084.09886","21":"15920.24559","22":"161545.4488","24":"13986.56987","25":"14532.96207","26":"17049.12216","27":"60213.08131","28":"13914.61109","29":"13024.13717","30":"13229.49038","31":"13434.19303","32":"13208.31236","33":"12847.23495","34":"13002.51034","35":"13133.61311","36":"13105.65477","37":"15961.21969","38":"14940.9209","39":"16930.23384","40":"15494.16616","41":"13381.92011","42":"13561.65432","43":"132721.5845","44":"30168.36518","45":"13564.89186","46":"13103.93575","47":"19927.02871","48":"14681.38528","49":"18354.32935","50":"40272.38791","51":"18304.56311","52":"65764.297","53":"15913.22891","54":"28821.15812","55":"76393.44121","56":"22036.20145","57":"19297.64496","58":"16293.9694","59":"15460.19309","60":"23618.49034","61":"37120.93484","62":"17982.07893","63":"17091.08016"},{"Metabolite":"5-Methoxyindole","1":"29556.72078","2":"2962.72952","3":"58481.00965","4":"245079.3361","5":"13098.62325","6":"2851.182678","7":"11576.29553","8":"29369.44283","9":"2994.731932","10":"3323.11991","11":"6079.695032","12":"37409.178","13":"2504.0118","14":"2667.921449","15":"53886.38774","16":"88563.92058","17":"5393.943282","18":"2855.170979","19":"9420.288687","20":"2398.263423","21":"150945.6615","22":"4253.653974","24":"14475.28042","25":"18314.64569","26":"70812.82221","27":"2455.142157","28":"2325.061127","29":"4453.724458","30":"9930.413567","31":"5667.511797","32":"2361.21524","33":"2391.390882","34":"2333.759502","35":"3145.286414","36":"2407.279679","37":"5351.537029","38":"13014.61477","39":"10301.14924","40":"2393.609736","41":"2454.132914","42":"2458.359844","43":"2470.330362","44":"2438.177967","45":"5551.78989","46":"13335.00973","47":"2495.824212","48":"7552.518345","49":"74925.10705","50":"33381.93504","51":"16028.97988","52":"28972.21857","53":"104449.9653","54":"209673.2378","55":"2998.298075","56":"25539.68516","57":"150482.0877","58":"2919.798959","59":"78379.04079","60":"2587729.038","61":"10731.41025","62":"464384.7452","63":"171310.041"},{"Metabolite":"5'-S-Methyl-5'-thioadenosine","1":"18857.59693","2":"6847.188366","3":"30896.57823","4":"21633.00198","5":"93693.62032","6":"8240.623814","7":"6756.712722","8":"15341.46587","9":"6977.291108","10":"6608.665328","11":"6494.211485","12":"6268.946572","13":"22663.57787","14":"6599.227384","15":"9801.75686","16":"10861.07466","17":"6524.094819","18":"8155.93034","19":"8617.003678","20":"5250.158522","21":"15026.62644","22":"9690.863232","24":"6254.561016","25":"6130.724655","26":"70068.57102","27":"9933.808154","28":"5377.545814","29":"6332.283602","30":"5679.908449","31":"7110.878785","32":"5437.839168","33":"5376.34308","34":"5298.46521","35":"5319.070861","36":"5543.226531","37":"6849.158813","38":"5474.440946","39":"5523.081127","40":"5567.61045","41":"5642.616266","42":"7865.149921","43":"9248.797545","44":"7037.617585","45":"5441.767385","46":"5843.109883","47":"5597.664833","48":"6641.49674","49":"7506.234244","50":"11761.55446","51":"24298.84802","52":"25793.04195","53":"46437.73549","54":"411203.2551","55":"14737.37296","56":"31063.07213","57":"31196.73305","58":"7719.409566","59":"12294.70071","60":"47017.59046","61":"10622.18108","62":"30666.13327","63":"24039.20188"},{"Metabolite":"6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","1":"7986.331814","2":"6334.87776","3":"8743.125828","4":"8026.813916","5":"7471.943411","6":"5977.962469","7":"7528.029781","8":"5891.388047","9":"5826.923305","10":"6021.477356","11":"6502.783725","12":"5923.259555","13":"5703.824798","14":"6854.004483","15":"5761.934904","16":"5794.845196","17":"6069.659235","18":"6078.545508","19":"6110.956998","20":"5586.077081","21":"5739.671147","22":"5655.36914","24":"6520.470796","25":"5709.978366","26":"42050.57036","27":"5809.569527","28":"5442.217624","29":"5585.586371","30":"5596.02157","31":"5634.995781","32":"5783.367338","33":"5468.063311","34":"5442.591777","35":"5620.673302","36":"5675.230351","37":"5522.513304","38":"6004.011217","39":"5462.990724","40":"5584.471981","41":"6211.137626","42":"5864.614962","43":"5518.417699","44":"5427.61714","45":"6610.198099","46":"17378.01851","47":"11887.13255","48":"7159.767567","49":"8093.967763","50":"7561.39288","51":"6706.699253","52":"6804.651816","53":"11147.36583","54":"7926.876225","55":"6722.972754","56":"8420.984968","57":"19563.4399","58":"6703.308083","59":"6756.588031","60":"43310.12624","61":"8413.126701","62":"27629.50827","63":"7809.545586"},{"Metabolite":"6-Hydroxymelatonin","1":"16643.54701","2":"55193.60551","3":"15227.4381","4":"18791.13212","5":"15959.68983","6":"88071.30794","7":"39672.05931","8":"21734.63393","9":"16351.70841","10":"147187.7221","11":"54395.60929","12":"26887.38035","13":"16967.59717","14":"58276.43808","15":"21474.03992","16":"67838.14555","17":"56908.12717","18":"281238.3076","19":"15368.2029","20":"13008.99559","21":"17495.93713","22":"194800.0811","24":"35856.0642","25":"61932.47052","26":"27947.1644","27":"16792.35019","28":"16031.55314","29":"15986.305","30":"17080.53445","31":"16833.92742","32":"13006.45156","33":"38937.72192","34":"12749.33165","35":"13037.96421","36":"13316.9117","37":"86736.63106","38":"36673.5236","39":"13869.70209","40":"13847.00224","41":"13945.3626","42":"13225.51515","43":"1074604.955","44":"257339.4452","45":"15684.87951","46":"15798.0319","47":"101272.0169","48":"15573.75698","49":"43391.06734","50":"80914.29024","51":"37156.64947","52":"37710.98371","53":"27316.85874","54":"21622.7977","55":"117955.0123","56":"31865.52609","57":"26371.36482","58":"20320.50839","59":"33064.46749","60":"41223.91446","61":"37187.72455","62":"23754.01762","63":"74769.36796"},{"Metabolite":"6-Hydroxynicotinic acid","1":"4471.22853","2":"5549.633585","3":"4850.471694","4":"4938.597213","5":"4875.689005","6":"5269.036051","7":"5183.601882","8":"5212.739674","9":"4972.073869","10":"5771.294334","11":"5371.953335","12":"5035.472538","13":"8046.450112","14":"4546.104664","15":"4983.776942","16":"5468.368979","17":"6558.427033","18":"44078.9296","19":"7621.207831","20":"4211.552066","21":"5821.050791","22":"12591.93095","24":"4838.893832","25":"5294.420643","26":"5541.464566","27":"5033.43367","28":"5930.208848","29":"4329.080129","30":"4396.253529","31":"4557.671639","32":"4212.819163","33":"4214.947512","34":"4129.537442","35":"4176.477231","36":"4134.189687","37":"5332.369381","38":"6005.432201","39":"4304.747914","40":"4485.075436","41":"4357.512086","42":"4236.572536","43":"6026.124522","44":"4449.666312","45":"5204.438484","46":"4358.778061","47":"4277.949696","48":"5298.395079","49":"5849.37789","50":"6071.219035","51":"7680.079956","52":"6326.132114","53":"6806.193132","54":"6590.243644","55":"7982.334073","56":"6538.420964","57":"6869.817201","58":"7993.39419","59":"7380.459255","60":"6448.080996","61":"9172.310959","62":"8328.595082","63":"7929.683725"},{"Metabolite":"6-Methylindole","1":"6771.496109","2":"24262.33827","3":"6186.178668","4":"4018.028885","5":"15549.34041","6":"33462.65965","7":"3991.493597","8":"3690.8837","9":"16014.44897","10":"28467.42973","11":"3844.281223","12":"11514.20259","13":"57892.34895","14":"15907.12993","15":"11205.0338","16":"4516.029066","17":"3968.905882","18":"5278.870091","19":"18054.04754","20":"2569.343707","21":"6673.037909","22":"3953.499641","24":"4087.624982","25":"3407.280722","26":"3543.402431","27":"6163.500888","28":"2371.295995","29":"2278.223394","30":"1898.584122","31":"3348.387136","32":"1630.151126","33":"1992.272874","34":"1649.862106","35":"2067.65788","36":"2115.874067","37":"2670.788179","38":"2310.511438","39":"2296.483111","40":"2245.381461","41":"2736.094385","42":"2452.075427","43":"2482.162827","44":"2475.032652","45":"2513.444991","46":"2579.02329","47":"4237.379273","48":"8062.016485","49":"6664.283091","50":"8785.196798","51":"56085.99512","52":"43265.33362","53":"19096.0036","54":"5267.869378","55":"5558.815805","56":"26163.81599","57":"6399.811578","58":"26083.45028","59":"5881.293506","60":"13881.34113","61":"23506.43854","62":"5006.466776","63":"52387.55959"},{"Metabolite":"6-Methylquinoline","1":"5199.044645","2":"843137.0072","3":"4697.109954","4":"5240.957492","5":"4997.076783","6":"657783.2275","7":"5193.222702","8":"40364.22964","9":"17199.0519","10":"684760.0537","11":"6337.321351","12":"4882.829428","13":"87352.40003","14":"303096.948","15":"46084.44885","16":"4877.866228","17":"23770.33559","18":"17762.53107","19":"5182.00412","20":"3930.133123","21":"4875.350438","22":"16021.52501","24":"4894.598631","25":"14252.13813","26":"6331.228486","27":"5059.903479","28":"3900.646438","29":"3945.166741","30":"3875.684266","31":"4145.168499","32":"3819.205722","33":"3852.653301","34":"3787.510527","35":"3839.249789","36":"3984.94039","37":"19085.83673","38":"3883.895798","39":"5498.883717","40":"12575.75648","41":"9852.366496","42":"4121.238745","43":"4136.611382","44":"3904.958054","45":"3924.036327","46":"3983.963668","47":"52003.69922","48":"48990.91522","49":"286103.7643","50":"8247.660468","51":"60837.53172","52":"79721.34568","53":"6511.224704","54":"5967.430985","55":"117290.9697","56":"10011.16002","57":"6468.557074","58":"6307.292067","59":"111248.2565","60":"9625.17148","61":"7244.99055","62":"31976.30929","63":"56404.43916"},{"Metabolite":"8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic acid","1":"4675406.21","2":"10912392.04","3":"1218690.106","4":"1596776.071","5":"4467999.247","6":"4911489.037","7":"1368180.895","8":"2299117.937","9":"124213.0245","10":"9277288.438","11":"815867.3312","12":"2449655.32","13":"950150.0375","14":"4691781.174","15":"1041573.555","16":"3062805.868","17":"800936.0459","18":"997452.5938","19":"946670.622","20":"341195.7669","21":"2994802.087","22":"655580.8204","24":"2831573.092","25":"616080.0074","26":"820342.0939","27":"289289.8162","28":"403518.7301","29":"595767.7905","30":"243162.8357","31":"632192.9737","32":"415582.2431","33":"224029.6623","34":"210775.5733","35":"274485.1112","36":"257336.5644","37":"1168893.268","38":"388988.7713","39":"827617.8879","40":"671207.9234","41":"665705.8293","42":"396130.1124","43":"64082.71545","44":"358232.1804","45":"528321.1972","46":"317422.8794","47":"3456126.612","48":"3116279.875","49":"2314421.041","50":"7675246.883","51":"4747797.99","52":"5770446.055","53":"3614398.761","54":"196206.0888","55":"4618698.391","56":"6689955.704","57":"3302536.644","58":"3460496.362","59":"8490493.112","60":"2032725.453","61":"3073767.167","62":"1879767.629","63":"3135658.627"},{"Metabolite":"8-Hydroxyquinoline","1":"155682.4536","2":"78497.35542","3":"174004.1335","4":"55897.2227","5":"616802.0202","6":"83679.63531","7":"41020.19726","8":"28365.63645","9":"87362.40212","10":"92899.30344","11":"28746.20196","12":"47671.96093","13":"104334.5704","14":"113153.8444","15":"58868.64946","16":"115961.4886","17":"16093.54158","18":"19312.69344","19":"262722.3785","20":"8770.647221","21":"62781.44568","22":"5070.68555","24":"59638.91956","25":"181011.3797","26":"60487.72377","27":"29861.72671","28":"5637.958006","29":"13748.84231","30":"6769.049286","31":"29785.86904","32":"16046.10414","33":"3056.701969","34":"2967.756285","35":"4684.050371","36":"13806.26063","37":"88698.50386","38":"40659.05031","39":"10187.96645","40":"8212.240542","41":"13632.80805","42":"3090.642049","43":"131047.8876","44":"43238.97656","45":"9497.772679","46":"13407.40829","47":"32726.07049","48":"39898.42097","49":"148131.1389","50":"63167.36988","51":"68917.95409","52":"230600.0408","53":"120774.1899","54":"119778.3852","55":"48424.71005","56":"329453.8057","57":"209645.4031","58":"78894.32479","59":"335430.6954","60":"561395.5897","61":"101386.226","62":"83293.57124","63":"407970.6261"},{"Metabolite":"9-Oxo-10(E),12(E)-octadecadienoic acid","1":"1221046.896","2":"4550929.794","3":"623193.5787","4":"1122317.477","5":"913851.0168","6":"532631.6587","7":"359643.2037","8":"640509.9906","9":"399627.9732","10":"1389756.358","11":"225217.418","12":"899466.7554","13":"821635.851","14":"879256.4264","15":"587600.3352","16":"561603.6619","17":"658779.413","18":"1140726.575","19":"557540.0259","20":"113519.0534","21":"736501.9285","22":"2227121.633","24":"665273.4342","25":"334560.8407","26":"475846.1478","27":"18120.19554","28":"40645.44412","29":"96904.62412","30":"27050.72211","31":"80420.95956","32":"28967.35824","33":"27243.42564","34":"46995.92215","35":"21653.60128","36":"24037.3869","37":"59658.35936","38":"41956.33346","39":"155897.8368","40":"131305.2765","41":"106743.7659","42":"67839.25393","43":"60063.58773","44":"93470.35695","45":"201619.6019","46":"92462.67945","47":"1580567.592","48":"1516627.904","49":"1101904.08","50":"3112820.845","51":"1114456.805","52":"2801035.928","53":"933203.8538","54":"64294.91939","55":"2396253.086","56":"2850168.814","57":"841212.4421","58":"750121.7161","59":"607052.5626","60":"1324728.77","61":"1103716.849","62":"804975.3472","63":"1868762.151"},{"Metabolite":"Abietic acid","1":"116356.6197","2":"24471.64838","3":"15401.61999","4":"17273.30442","5":"2395898.639","6":"45324.56131","7":"17263.50461","8":"10476.77452","9":"52293.49677","10":"15909.19283","11":"235645.6203","12":"47301.18753","13":"24714.2588","14":"17835.33345","15":"14690.08831","16":"8876.724898","17":"14758.02275","18":"9410.860959","19":"1408408.73","20":"29228.49151","21":"379227.8325","22":"78624.57609","24":"43168.02223","25":"14998.5128","26":"14532.75719","27":"12513.87938","28":"21553.28545","29":"19417.01153","30":"12861.94131","31":"9115336.367","32":"9880508.779","33":"319323.6527","34":"323914.6479","35":"169486.106","36":"108665.3148","37":"93126.83317","38":"24885.81825","39":"37587.57361","40":"28210.60916","41":"815082.9704","42":"244861.8278","43":"120402.3377","44":"76481.43957","45":"43043.63286","46":"34018.60383","47":"50425.78418","48":"159132.4536","49":"51237.80166","50":"218524.6436","51":"265535.3945","52":"2482222.012","53":"97904.49442","54":"22902.23745","55":"39982.35343","56":"75742.57831","57":"37417.14162","58":"27826.31832","59":"13876.79343","60":"29689.57682","61":"92335.13971","62":"19045.63068","63":"25693.38789"},{"Metabolite":"Acetophenone","1":"170831.3042","2":"908320.1435","3":"21887.09163","4":"8181.779576","5":"3661.694731","6":"547558.4316","7":"23100.18616","8":"16945.18142","9":"42771.59272","10":"30036.44919","11":"17466.29998","12":"15906.26383","13":"100514.4476","14":"18495.85049","15":"15093.31934","16":"19153.22619","17":"20288.96984","18":"55886.15316","19":"12880.35112","20":"2866.011136","21":"16281.8328","22":"32597.14095","24":"9372.267314","25":"12885.39917","26":"19468.16858","27":"216195.4775","28":"15312.65936","29":"12455.04958","30":"2895.606745","31":"9643.181661","32":"18104.28825","33":"8755.268554","34":"2770.913381","35":"2867.803123","36":"2834.364558","37":"2975.061792","38":"3902.328856","39":"32928.55371","40":"17730.77536","41":"14357.05918","42":"2828.926431","43":"9255.616924","44":"11466.43307","45":"2815.55547","46":"2841.160548","47":"2952.275939","48":"13551.70603","49":"6452.235469","50":"6508.164351","51":"82976.17682","52":"43763.05749","53":"9948.822151","54":"24192.07147","55":"57157.14971","56":"24756.96728","57":"27657.18474","58":"16602.20547","59":"3493.332848","60":"25924.1475","61":"23763.14406","62":"23600.01761","63":"3800.290163"},{"Metabolite":"Alizarin","1":"4337.495622","2":"4472.819668","3":"3656.616294","4":"3225.628599","5":"3853.986137","6":"4166.067612","7":"3531.852435","8":"3656.34741","9":"3209.448706","10":"4695.86015","11":"3477.867006","12":"3649.808557","13":"3566.686153","14":"3988.285013","15":"3639.471631","16":"14291.44585","17":"3987.44496","18":"3590.937052","19":"4640.902653","20":"2167.905036","21":"4143.676667","22":"3689.947245","24":"3970.836393","25":"2764.286514","26":"3606.73682","27":"3419.110879","28":"2141.480492","29":"2196.063801","30":"2029.131106","31":"2326.496081","32":"2227.236026","33":"1918.971184","34":"1946.845509","35":"2160.136382","36":"2107.675963","37":"2574.795528","38":"2196.7786","39":"2300.649054","40":"2316.012342","41":"2499.291741","42":"2233.07841","43":"2207.311708","44":"2088.242032","45":"2089.82901","46":"2146.009336","47":"3115.442432","48":"4457.539696","49":"38362.20381","50":"6656.658161","51":"5846.413985","52":"6781.36163","53":"36142.79392","54":"5333.03176","55":"5304.048096","56":"6166.456316","57":"5205.398047","58":"183186.0651","59":"6122.116195","60":"5889.171362","61":"104923.3505","62":"5599.557499","63":"5850.960192"},{"Metabolite":"Biotin","1":"418167.7205","2":"319904.1774","3":"72094.1789","4":"191314.6036","5":"158445.1885","6":"168780.4273","7":"275034.6482","8":"166743.4139","9":"18706.53348","10":"346598.1841","11":"149916.9861","12":"146804.3892","13":"41934.15835","14":"143542.9024","15":"145344.1661","16":"854889.7626","17":"55099.53088","18":"84290.89669","19":"113496.8165","20":"17879.45687","21":"351274.1543","22":"28131.6888","24":"173940.0708","25":"177554.9373","26":"322598.3376","27":"49478.25555","28":"19181.10985","29":"45456.88896","30":"17577.85732","31":"63151.16398","32":"25840.49324","33":"8913.297666","34":"10887.10128","35":"14023.72702","36":"25911.59955","37":"73387.76435","38":"22016.1281","39":"21178.17755","40":"14889.87731","41":"37872.18653","42":"19116.08795","43":"7223.948977","44":"8883.607009","45":"13242.68656","46":"45282.66262","47":"154876.882","48":"137939.5661","49":"296384.0336","50":"404070.6508","51":"48409.68173","52":"386808.1754","53":"437984.1128","54":"412326.3452","55":"36032.25926","56":"283631.8047","57":"583998.6333","58":"314687.6212","59":"564462.1134","60":"467079.7228","61":"473361.7354","62":"320644.7582","63":"320715.1429"},{"Metabolite":"Bis(2-butoxyethyl) ether","1":"324875.7238","2":"313788.2975","3":"255577.5325","4":"386724.2189","5":"276460.2468","6":"353465.9197","7":"311105.3728","8":"315343.5707","9":"434010.4034","10":"359045.1125","11":"335914.5813","12":"339835.1265","13":"317627.7558","14":"227792.0875","15":"225523.8177","16":"288083.006","17":"244689.4458","18":"268050.8445","19":"297301.0489","20":"121280.4542","21":"317163.0264","22":"216842.0205","24":"263694.0165","25":"268388.2814","26":"336308.7212","27":"253853.3348","28":"136199.4013","29":"143002.8045","30":"121594.8845","31":"117288.9151","32":"112088.2642","33":"113159.6639","34":"109508.472","35":"137997.6008","36":"115996.3675","37":"132483.6079","38":"118333.692","39":"119859.6588","40":"135762.6775","41":"124407.615","42":"117240.3414","43":"113826.2355","44":"110279.9568","45":"108191.8705","46":"115648.1466","47":"112658.9894","48":"267699.0461","49":"453599.7817","50":"496608.5177","51":"596768.4767","52":"402398.0843","53":"591213.5173","54":"458100.7286","55":"493552.4644","56":"573030.4329","57":"523484.2195","58":"473890.06","59":"256981.9131","60":"556966.3461","61":"545275.8754","62":"563243.5796","63":"513746.0011"},{"Metabolite":"Bis(2-ethylhexyl) amine","1":"3520.925242","2":"3622.772454","3":"1889.998664","4":"2865.858514","5":"3066.81216","6":"3358.113072","7":"2864.82451","8":"4066.406724","9":"3426.550069","10":"3980.502003","11":"3726.424223","12":"4361.816603","13":"2445.951393","14":"4130.011256","15":"3306.979661","16":"4347.539642","17":"3025.121572","18":"2288.087498","19":"2550.25518","20":"3466.794017","21":"3382.13724","22":"2606.437955","24":"4632.824251","25":"2232.179141","26":"2342.294647","27":"2105.610842","28":"4669.11591","29":"3849.109499","30":"2398.68862","31":"2300.597735","32":"2554.293117","33":"3041.985538","34":"3241.182895","35":"3239.6204","36":"3723.762451","37":"1958.640508","38":"2907.79759","39":"3429.762705","40":"5113.185218","41":"2754.909802","42":"3623.692674","43":"2791.589851","44":"3419.678501","45":"2902.060817","46":"3637.145615","47":"3276.469852","48":"3180.08446","49":"4096.54942","50":"4400.401693","51":"2922.925198","52":"5172.809504","53":"4467.532268","54":"2843.895436","55":"4269.532903","56":"6614.977769","57":"6058.339256","58":"3798.702209","59":"5040.5044","60":"4029.843799","61":"5048.368023","62":"2902.484076","63":"11145.39997"},{"Metabolite":"Bis(4-ethylbenzylidene)sorbitol","1":"1537341.599","2":"1607893.223","3":"1542810.948","4":"1916809.973","5":"1248840.567","6":"1950362.403","7":"2099901.21","8":"1618085.853","9":"1843184.663","10":"1520892.264","11":"1711541.827","12":"1405817.371","13":"1356042.754","14":"955641.9781","15":"1669371.124","16":"1158484.419","17":"1221124.563","18":"1301747.822","19":"1439125.458","20":"220657.9724","21":"1403625.176","22":"1322262.478","24":"1042176.142","25":"1087723.208","26":"1765741.65","27":"1042714.964","28":"286050.7198","29":"365269.1542","30":"218706.4802","31":"360661.8462","32":"171076.9977","33":"113145.3667","34":"142448.579","35":"267461.566","36":"186868.8144","37":"261596.3392","38":"171648.586","39":"227006.8605","40":"207335.6566","41":"293512.1007","42":"168775.2372","43":"152579.776","44":"144470.0614","45":"124134.2957","46":"181045.0696","47":"217109.3169","48":"1226025.872","49":"2295274.75","50":"2109788.623","51":"2978680.097","52":"1739354.253","53":"2828088.838","54":"3246045.387","55":"2578964.764","56":"2060221.776","57":"2282998.311","58":"1845435.934","59":"1313752.656","60":"2557894.954","61":"1874075.574","62":"2334222.073","63":"1859612.231"},{"Metabolite":"Bis(methylbenzylidene)sorbitol","1":"1083126.187","2":"1397809.064","3":"2062021.724","4":"1473053.167","5":"1678973.378","6":"1864369.174","7":"2181645.068","8":"2114064.493","9":"2366406.459","10":"1344434.957","11":"2327505.279","12":"2519874.094","13":"914041.4475","14":"1190305.536","15":"1292180.737","16":"950601.8002","17":"1116484.472","18":"1213859.375","19":"1271105.001","20":"196917.5685","21":"774465.1856","22":"876569.171","24":"752264.5425","25":"754066.7042","26":"1378498.713","27":"717543.7915","28":"205295.6595","29":"296709.5812","30":"198041.599","31":"298511.8687","32":"120195.1103","33":"76470.90522","34":"131762.014","35":"296564.8671","36":"160544.0956","37":"404014.5236","38":"342538.0111","39":"200235.7442","40":"177976.7893","41":"250419.5701","42":"168459.3613","43":"222847.9183","44":"147447.9514","45":"112367.2721","46":"148790.0465","47":"135246.9891","48":"1766200.735","49":"2407400.82","50":"1628670.59","51":"2392685.26","52":"2087743.198","53":"2700808.459","54":"2323454.861","55":"3074575.964","56":"2520201.218","57":"2869173.907","58":"2219230.301","59":"1235341.94","60":"3429867.05","61":"3158001.409","62":"7441665.734","63":"7478964.037"},{"Metabolite":"Butyl 4-aminobenzoate","1":"30580.07317","2":"20822.53013","3":"2355.261698","4":"62909.14478","5":"47733.85687","6":"21851.15575","7":"4763.725967","8":"4367.706741","9":"5113.901091","10":"29191.13185","11":"683597.882","12":"6085.523953","13":"9653.513563","14":"35830.59668","15":"8087.303588","16":"13838.83","17":"28828.96861","18":"2967.670318","19":"27162.38988","20":"3558.91276","21":"3803.25263","22":"8413.907428","24":"5056.047931","25":"9013.75731","26":"2779.969426","27":"2361.829115","28":"3372.493361","29":"8939.809073","30":"2802.35219","31":"30640.41891","32":"7072.225656","33":"1789.713188","34":"7142.321461","35":"4480.769791","36":"3617.428126","37":"15816.11291","38":"4574.612064","39":"3758.842346","40":"2103.098995","41":"9783.627486","42":"5559.18305","43":"1860.464436","44":"1794.425828","45":"1807.191614","46":"2763.539434","47":"21227.33358","48":"22359.57445","49":"46221.46311","50":"53762.12182","51":"22968.29097","52":"24055.40876","53":"25329.65462","54":"9936.385805","55":"31647.13257","56":"23626.06691","57":"111902.0542","58":"25181.37995","59":"14873.02291","60":"11060.1303","61":"4641.812956","62":"6831.553302","63":"33666.91697"},{"Metabolite":"Cinnamoylglycine","1":"15597.02259","2":"26346.64669","3":"14117.62139","4":"6620.888838","5":"11867.64209","6":"8632.885868","7":"18323.32302","8":"8434.38919","9":"6342.193767","10":"9058.982076","11":"7205.393751","12":"11901.77648","13":"4233.14117","14":"5920.039353","15":"9828.903981","16":"8332.118749","17":"136010.2926","18":"4893.311048","19":"7704.983716","20":"3738.085628","21":"6986.803188","22":"20993.95244","24":"11031.42212","25":"22364.70935","26":"6301.44694","27":"5603.786176","28":"4791.421619","29":"4116.318956","30":"4123.542571","31":"19506.20465","32":"4714.633732","33":"3661.314034","34":"3799.091354","35":"5285.360721","36":"4036.343679","37":"69089.80422","38":"24322.19777","39":"4366.191285","40":"4999.356402","41":"7750.464543","42":"7901.319192","43":"4614.164072","44":"4083.707174","45":"5439.038351","46":"4611.887185","47":"10006.82942","48":"10503.40997","49":"7054.353142","50":"10142.63723","51":"5675.633002","52":"12037.92864","53":"12226.84413","54":"50376.94847","55":"5876.218077","56":"12110.67594","57":"11290.56176","58":"18263.18408","59":"12131.38951","60":"13372.99981","61":"5807.878953","62":"26390.34747","63":"7876.292115"},{"Metabolite":"Citral","1":"409838.0508","2":"603625.1044","3":"236363.6018","4":"500692.0538","5":"156920.53","6":"445886.683","7":"280733.0168","8":"202210.0505","9":"196987.6305","10":"679458.5238","11":"472351.4215","12":"348614.2568","13":"155000.1342","14":"443268.4478","15":"293919.9108","16":"376590.3875","17":"217003.5641","18":"159249.2451","19":"108616.4377","20":"181322.4796","21":"420834.7148","22":"189330.375","24":"416313.4953","25":"245742.6325","26":"217619.3133","27":"80204.27122","28":"107298.5751","29":"138008.5212","30":"142067.6155","31":"133420.493","32":"86623.94065","33":"117054.1488","34":"116724.7462","35":"117790.6174","36":"92959.88259","37":"120886.2471","38":"111695.4055","39":"72724.00365","40":"137209.1378","41":"120547.0135","42":"116655.5472","43":"94171.31498","44":"81984.60108","45":"129730.1375","46":"61141.82985","47":"636241.7826","48":"199046.1504","49":"948889.7628","50":"820167.4881","51":"319597.0158","52":"693434.2455","53":"318007.5931","54":"248927.0164","55":"345927.0034","56":"646592.2425","57":"1153699.316","58":"643298.1042","59":"284013.935","60":"492976.6577","61":"566794.259","62":"253084.7745","63":"624504.0385"},{"Metabolite":"Coumestrol","1":"307139.1443","2":"65463.50684","3":"156522.4832","4":"71287.3076","5":"968533.7433","6":"48883.66791","7":"5099.300095","8":"4676.049852","9":"109020.202","10":"40047.40016","11":"6253.556081","12":"59777.02117","13":"46551.17063","14":"36966.04772","15":"4276.439383","16":"109019.8672","17":"6339.911219","18":"10447.72159","19":"172551.9458","20":"17976.21259","21":"63599.77129","22":"10425.78116","24":"132899.0567","25":"5277.868145","26":"11655.24823","27":"3158.761161","28":"16975.43826","29":"39900.77115","30":"11426.50789","31":"48695.62973","32":"26113.13614","33":"2538.620288","34":"2925.835651","35":"12237.88604","36":"9361.10507","37":"44645.21027","38":"19150.13286","39":"19980.28309","40":"16085.84025","41":"27104.5055","42":"3669.051437","43":"3005.316601","44":"4562.869913","45":"8037.972348","46":"2646.928483","47":"4082.267252","48":"22287.92939","49":"365185.4712","50":"503571.0163","51":"335927.4903","52":"483710.7884","53":"227905.628","54":"144661.21","55":"726100.4143","56":"58165.02757","57":"21280.87592","58":"541027.8051","59":"199460.0554","60":"142284.5711","61":"312556.7331","62":"94331.31865","63":"105212.3266"},{"Metabolite":"D-(+)-Tryptophan","1":"663442.3257","2":"12908822.04","3":"176571.1462","4":"1795372.092","5":"1370488.098","6":"6971357.464","7":"2184418.401","8":"2003860.223","9":"6962692.413","10":"6627068.736","11":"849203.8325","12":"3549137.975","13":"3625432.873","14":"1016163.267","15":"1419246.116","16":"5143373.401","17":"2990455.329","18":"62435668.79","19":"1239744.963","20":"160799.9633","21":"2462179.703","22":"34409390.87","24":"2006765.25","25":"3288792.596","26":"4738059.484","27":"5935373.574","28":"723043.5772","29":"458009.8242","30":"247689.4215","31":"720499.6008","32":"317378.7748","33":"166021.6918","34":"256369.9019","35":"590265.1002","36":"608643.384","37":"1152788.407","38":"381396.1741","39":"1760883.818","40":"1710652.599","41":"507031.147","42":"150135.1765","43":"12733972.43","44":"3927228.033","45":"648387.6367","46":"826511.3267","47":"2807354.78","48":"1370940.126","49":"2981550.197","50":"3574662.735","51":"16795068.35","52":"1489617.414","53":"2461179.261","54":"21050356.39","55":"13030375.64","56":"4360605.45","57":"3950510.816","58":"3575297.892","59":"2682029.951","60":"6094593.424","61":"2432328.609","62":"7231072.754","63":"5864536.682"},{"Metabolite":"Daidzein","1":"15412.53527","2":"42816.07407","3":"23658.13786","4":"16171.03724","5":"35462.52623","6":"7087.475327","7":"5234.65172","8":"5943.31207","9":"193592.3007","10":"7461.12821","11":"26040.09692","12":"7860.666967","13":"126957.9404","14":"69684.21013","15":"5724.199724","16":"17365.37905","17":"41430.96673","18":"63550.65073","19":"22777.80193","20":"3718.377169","21":"20961.6444","22":"123899.5536","24":"32641.69276","25":"9322.811457","26":"33377.8113","27":"169776.2959","28":"42544.78849","29":"39523.6306","30":"5550.371776","31":"27057.13902","32":"4028.486517","33":"3534.998046","34":"5097.393876","35":"19296.14739","36":"18779.93959","37":"83466.13541","38":"45071.25861","39":"24347.99841","40":"17636.72235","41":"20526.37607","42":"5919.192465","43":"4582.326551","44":"3680.608153","45":"4894.795937","46":"12967.34654","47":"15077.53083","48":"87874.88923","49":"14907.05677","50":"66827.68533","51":"1145302.857","52":"61466.45693","53":"10891.05947","54":"34620.33746","55":"639445.167","56":"14956.31597","57":"16750.61022","58":"39827.97079","59":"32343.7925","60":"12750.39747","61":"58080.17647","62":"20458.1008","63":"29391.51852"},{"Metabolite":"Decarbamoyloxysaxitoxin","1":"3009988.674","2":"3110210.416","3":"3367051.096","4":"3176650.467","5":"2462197.232","6":"3184250.355","7":"3260766.84","8":"3798368.534","9":"3386188.983","10":"1658549.151","11":"4013174.192","12":"2526309.276","13":"3781039.587","14":"2227904.552","15":"3892692.911","16":"2460657.037","17":"2590255.313","18":"2537126.437","19":"2397011.315","20":"719551.6305","21":"2915231.797","22":"1968337.106","24":"2028856.171","25":"2638692.666","26":"3907649.475","27":"3076157.31","28":"934168.3486","29":"1182888.184","30":"709442.6653","31":"829350.8867","32":"348042.9114","33":"311124.9301","34":"348605.5247","35":"681526.1722","36":"449523.1107","37":"382703.2715","38":"373091.3552","39":"649343.2812","40":"587231.8434","41":"770880.6182","42":"564459.3703","43":"673041.5493","44":"405953.1827","45":"273120.8371","46":"425003.831","47":"452427.7415","48":"3862107.957","49":"5867967.436","50":"2366596.43","51":"6418276.327","52":"2765093.475","53":"5479867.64","54":"3219163.76","55":"5683686.187","56":"4684455.818","57":"46231.25453","58":"3943468.753","59":"2822835.504","60":"19141.3148","61":"4508732.404","62":"2973032.648","63":"2817490.22"},{"Metabolite":"Desthiobiotin","1":"41098.74788","2":"11253.69474","3":"10379.56514","4":"15268.9239","5":"8714.14349","6":"5834.882648","7":"47302.89918","8":"23692.11629","9":"13065.131","10":"20349.43838","11":"28360.6956","12":"5466.750341","13":"2498.356396","14":"8173.93579","15":"16771.16337","16":"52841.43049","17":"3922.95421","18":"4221.88134","19":"6696.967189","20":"2326.578884","21":"64078.61111","22":"2557.889802","24":"11633.26728","25":"23667.64815","26":"31439.50295","27":"9064.054755","28":"5501.74953","29":"9892.790677","30":"2407.359409","31":"3834.44696","32":"3753.550833","33":"2307.927979","34":"2236.624411","35":"2670.705008","36":"2396.790647","37":"7198.524716","38":"3431.476708","39":"2895.991886","40":"2310.069392","41":"3220.011895","42":"3735.439313","43":"2679.044622","44":"3191.03572","45":"2360.319072","46":"2351.608761","47":"7986.028093","48":"9598.944531","49":"90334.68574","50":"34658.53187","51":"2872.850151","52":"46779.67243","53":"16724.80105","54":"10071.27836","55":"2796.026356","56":"60342.23614","57":"73154.86509","58":"44486.82333","59":"25804.81762","60":"53856.92746","61":"81232.15235","62":"67829.14561","63":"13881.09905"},{"Metabolite":"Diethyleneglycol diacetate","1":"12442.16139","2":"2575.692118","3":"9817.618453","4":"12161.12279","5":"14703.40674","6":"2323.588762","7":"2004.848961","8":"1958.117052","9":"1749.177079","10":"2243.287782","11":"30463.6194","12":"9487.044704","13":"1646.255845","14":"1929.834731","15":"6089.88584","16":"2730.915456","17":"6513.979117","18":"2018.075785","19":"1796.845452","20":"1433.479459","21":"1748.935166","22":"3013.881137","24":"2028.492343","25":"7137.300273","26":"3113.305976","27":"1767.228017","28":"1550.515301","29":"7068.188796","30":"4912.091045","31":"6827.687435","32":"1778.233414","33":"1519.073534","34":"2461.166456","35":"20019.05633","36":"14901.45425","37":"1575.745641","38":"1612.843108","39":"1636.452802","40":"1554.627484","41":"4379.818419","42":"1758.43177","43":"3856.625658","44":"5670.414252","45":"1580.415231","46":"5008.314452","47":"2049.475573","48":"4206.038891","49":"8412.582983","50":"21572.82701","51":"2203.724534","52":"3521.666663","53":"4746.583036","54":"7622.278176","55":"3059.270196","56":"2692.572382","57":"10201.20652","58":"5743.881714","59":"2436.326606","60":"3343.606334","61":"2214.433808","62":"3707.541187","63":"4919.76365"},{"Metabolite":"Diisobutylphthalate","1":"7793613.468","2":"8240838.449","3":"7248113.569","4":"9990028.948","5":"8455417.205","6":"6612466.912","7":"9334043.079","8":"4980998.379","9":"6148942.075","10":"7472519.482","11":"9459770.007","12":"7572991.406","13":"7519902.767","14":"8125035.906","15":"7942767.028","16":"7811077.102","17":"8621922.464","18":"7389416.602","19":"6793866.046","20":"3498499.838","21":"7358640.406","22":"6268223.03","24":"6492157.159","25":"5625943.652","26":"7840909.098","27":"6971269.003","28":"3817813.47","29":"3550508.78","30":"3683325.83","31":"3294228.797","32":"3463919.279","33":"2639143.915","34":"3533325.218","35":"3848688.614","36":"3605304.883","37":"3093450.904","38":"3622864.039","39":"2885315.175","40":"3826191.942","41":"3817816.447","42":"3024936.562","43":"2796625.787","44":"3654947.412","45":"3387010.855","46":"3948519.15","47":"2913695.858","48":"9162577.406","49":"14070413.29","50":"13062886","51":"14480403.59","52":"12736672.39","53":"14753210.6","54":"16889815.9","55":"13017740.88","56":"16203345","57":"16232350.42","58":"13816161.59","59":"8151013.434","60":"15385304.95","61":"18480332.62","62":"13052532.89","63":"15107717.1"},{"Metabolite":"Dimethyl sebacate","1":"3296056.862","2":"2620092.433","3":"674995.575","4":"3597952.988","5":"1329395.493","6":"1328563.173","7":"2454514.966","8":"2929932.405","9":"337274.8627","10":"3801742.127","11":"3685739.406","12":"3355300.823","13":"405030.5788","14":"3306729.244","15":"1823564.719","16":"8292320.082","17":"188002.5811","18":"1793494.425","19":"893422.5402","20":"812089.1521","21":"4150804.505","22":"1033210.783","24":"3002812.547","25":"1663836.203","26":"5334878.598","27":"1047974.544","28":"416728.8412","29":"964219.6376","30":"676469.4285","31":"1410809.574","32":"947783.3306","33":"491902.6034","34":"617557.769","35":"638764.6944","36":"872001.0026","37":"1211257.388","38":"697815.0672","39":"476093.2252","40":"514812.4838","41":"948566.1639","42":"781410.6416","43":"258895.0699","44":"208625.9486","45":"617318.7814","46":"1036200.344","47":"2915946.006","48":"1121137.252","49":"4721096.365","50":"4009409.947","51":"1358702.829","52":"4820769.879","53":"3570551.478","54":"289219.4073","55":"1478867.191","56":"6501947.061","57":"10430750.33","58":"3529327.634","59":"4824045.068","60":"5292600.672","61":"4195141.019","62":"4089756.387","63":"4811997.444"},{"Metabolite":"Docosahexaenoic acid ethyl ester","1":"174998.3521","2":"20723.17638","3":"15652.72406","4":"17796.49004","5":"17345.81448","6":"15672.27893","7":"477950.1233","8":"4896.979104","9":"212284.7296","10":"13433.33364","11":"21663.65059","12":"12138.66013","13":"8705.490949","14":"459164.9511","15":"26575.40184","16":"16416.18286","17":"153613.6229","18":"3752703.82","19":"592179.0697","20":"4209.392045","21":"34868.6867","22":"4811622.229","24":"1243195.258","25":"23884.98542","26":"6845.648535","27":"23245.13667","28":"13783.10206","29":"10710.45882","30":"4858.596491","31":"22412.29333","32":"17095.89531","33":"3669.751526","34":"5128.594834","35":"10860.04748","36":"17116.40431","37":"22815.57335","38":"3991.708961","39":"12435.94205","40":"3721.237838","41":"3778.752011","42":"7886.953171","43":"95411.56456","44":"70541.51109","45":"55709.65687","46":"5427.706091","47":"120871.4722","48":"4051.678344","49":"4616.367107","50":"290642.8335","51":"49532.36901","52":"908960.6127","53":"4239.945197","54":"45900.49884","55":"40318.88567","56":"88090.1664","57":"10308.42472","58":"13377.33171","59":"170325.8198","60":"137211.2602","61":"128794.51","62":"23365.88943","63":"5254.471456"},{"Metabolite":"Dodecyltrimethylammonium","1":"85727.07922","2":"298386.5246","3":"237760.2683","4":"279337.5924","5":"70512.23664","6":"372191.327","7":"305872.1784","8":"198194.8676","9":"247753.9044","10":"163613.9919","11":"233748.9745","12":"197539.4886","13":"262328.0126","14":"199139.698","15":"278708.4307","16":"291196.6865","17":"278767.8846","18":"256077.0957","19":"46803.47958","20":"35913.09357","21":"286465.5105","22":"317812.295","24":"225659.4527","25":"212753.2733","26":"328888.4057","27":"268086.2744","28":"59394.58356","29":"62344.62632","30":"51333.22584","31":"64379.92545","32":"21752.71738","33":"33355.80299","34":"37371.74683","35":"57173.7053","36":"44590.01136","37":"43704.14535","38":"46736.9341","39":"75023.45286","40":"92154.31701","41":"81026.26262","42":"65181.8851","43":"72133.93875","44":"56936.34834","45":"46591.3809","46":"76270.90604","47":"97181.66112","48":"328107.5437","49":"683876.1681","50":"171044.7115","51":"488248.3993","52":"94644.39052","53":"422122.5409","54":"99092.79663","55":"646407.5094","56":"559087.0894","57":"500744.1706","58":"456665.1771","59":"163594.6848","60":"453332.8217","61":"447305.8591","62":"328236.9191","63":"410768.6331"},{"Metabolite":"Ethyl palmitoleate","1":"10851754.44","2":"426451.6376","3":"212302.9073","4":"470913.0406","5":"21512670.13","6":"601952.8621","7":"692493.2999","8":"119942.7207","9":"9729637.436","10":"263733.3355","11":"233643.1263","12":"178895.0385","13":"158858.2375","14":"236792.6313","15":"142826.5441","16":"144782.5394","17":"387064.1673","18":"46267258.03","19":"14057771","20":"556350.7849","21":"1104550.888","22":"20911717.67","24":"1358985.853","25":"417652.0958","26":"166627.0674","27":"135533.3879","28":"221292.7521","29":"255930.8997","30":"856149.8633","31":"1943112.745","32":"937364.4286","33":"292211.1374","34":"163750.4185","35":"338113.1857","36":"495598.5622","37":"4126929.762","38":"2342827.527","39":"398203.253","40":"265241.1185","41":"849818.2746","42":"240791.0861","43":"739267.1479","44":"450502.9774","45":"132354.5997","46":"235962.7226","47":"1894614.772","48":"141544.1702","49":"108197.2414","50":"22674336.16","51":"444952.0796","52":"16563553.67","53":"215843.237","54":"6668870.609","55":"216487.939","56":"2215746.295","57":"389060.45","58":"228967.5869","59":"29112414.51","60":"1419983.618","61":"1154389.248","62":"183936.0675","63":"183246.1157"},{"Metabolite":"Ethyl paraben","1":"319742.3096","2":"315491.6905","3":"346121.1531","4":"423071.5941","5":"357032.4036","6":"357714.1908","7":"357609.7123","8":"306944.1237","9":"348110.9443","10":"316316.8612","11":"384801.1496","12":"351344.9495","13":"370437.5984","14":"319574.5009","15":"414822.0983","16":"352062.5873","17":"332759.2389","18":"346295.294","19":"411084.9768","20":"135196.384","21":"420215.615","22":"363571.3393","24":"395411.65","25":"316062.4684","26":"412544.0595","27":"333310.229","28":"148494.6439","29":"166952.5598","30":"141187.0876","31":"132193.1636","32":"104288.5095","33":"134102.0313","34":"119529.8064","35":"127314.3334","36":"112215.6225","37":"132176.8517","38":"118001.389","39":"123281.1902","40":"130011.7546","41":"144875.8023","42":"84668.0399","43":"138534.4706","44":"98588.04298","45":"99230.11054","46":"124449.2807","47":"112322.0153","48":"441954.6574","49":"539770.8562","50":"601213.361","51":"698013.743","52":"487800.7479","53":"657794.1079","54":"708762.7619","55":"587896.5124","56":"591195.9806","57":"643453.4952","58":"609340.3115","59":"441891.3597","60":"667917.0219","61":"593810.3658","62":"429392.3342","63":"102052.1145"},{"Metabolite":"Ferulic acid","1":"80251.06162","2":"128109.9233","3":"305283.3104","4":"1952789.914","5":"87693.2905","6":"1913893.897","7":"1818579.24","8":"1167777.351","9":"108881.1223","10":"408921.6675","11":"1262917.518","12":"1206660.418","13":"135938.3004","14":"285159.3119","15":"574994.9859","16":"688734.3931","17":"1231609.206","18":"136908.6427","19":"117642.1094","20":"33198.61176","21":"907988.965","22":"393223.5782","24":"986467.9764","25":"1952067.138","26":"3145544.655","27":"938763.2926","28":"232907.4099","29":"317485.7985","30":"174326.4857","31":"148915.3074","32":"27158.65766","33":"53886.9002","34":"133020.057","35":"155397.4658","36":"112143.2359","37":"92036.26127","38":"59087.51299","39":"42261.69744","40":"280836.2166","41":"366713.3865","42":"135014.7438","43":"21849.15555","44":"58981.28166","45":"132723.3894","46":"312033.6581","47":"176726.2447","48":"971352.6675","49":"1350244.041","50":"1458983.765","51":"1786118.76","52":"795879.2196","53":"2444139.146","54":"365653.4066","55":"999574.0391","56":"511073.5025","57":"922285.8997","58":"528900.4089","59":"352318.8564","60":"3908257.242","61":"810505.8276","62":"9005769.892","63":"2886057.612"},{"Metabolite":"Flavanone","1":"2888.813287","2":"3397.835067","3":"2330.403339","4":"16662.03691","5":"2528.30608","6":"3465.59172","7":"2052.268891","8":"485937.6875","9":"1887.147539","10":"4949.976177","11":"3116.595385","12":"1595801.027","13":"9710.971063","14":"2660.737671","15":"8863.301228","16":"223421.6877","17":"2469.079989","18":"2061.039321","19":"2205.311648","20":"13749.22337","21":"2876.106509","22":"2209.483236","24":"2606.55209","25":"5891.33772","26":"39605.16161","27":"2173.021437","28":"1594.985932","29":"4209.363863","30":"5292.767712","31":"2097.39222","32":"1779.222748","33":"1583.533632","34":"1684.758399","35":"1728.112616","36":"1646.015626","37":"1960.961301","38":"26866.8494","39":"27001.2864","40":"1722.128369","41":"2385.16498","42":"2063.915462","43":"1685.113545","44":"1620.562177","45":"3748.723848","46":"2214.104728","47":"2725.88299","48":"2594.215215","49":"75775.67894","50":"4142.416963","51":"3072.329153","52":"4073.985421","53":"4020.253726","54":"4588.421637","55":"3174.798585","56":"3504.987471","57":"12577.67047","58":"3033.122792","59":"3065.307865","60":"12603.75111","61":"3168.081768","62":"5978.959599","63":"50057.53363"},{"Metabolite":"Glycyl-L-leucine","1":"49443.88187","2":"1151299.986","3":"11201.86339","4":"124690.427","5":"11613.34332","6":"1118059.061","7":"316816.2903","8":"75282.7385","9":"80657.97367","10":"966809.9445","11":"10402.34364","12":"189633.7498","13":"70770.8338","14":"62682.76257","15":"63344.6884","16":"236868.9205","17":"362951.5866","18":"1357417.638","19":"51635.55618","20":"4294.220465","21":"108669.7276","22":"1373452.98","24":"225395.543","25":"155987.0781","26":"255262.4834","27":"88580.41478","28":"19068.74032","29":"44593.41232","30":"24800.40245","31":"40639.46954","32":"20529.58174","33":"10934.12205","34":"23515.17674","35":"19478.82621","36":"66333.65729","37":"236537.4515","38":"92442.09138","39":"148636.2389","40":"92402.18369","41":"26131.39072","42":"4796.986359","43":"1450688.054","44":"450063.3663","45":"53909.67632","46":"78181.85803","47":"342718.949","48":"56563.02336","49":"218360.7194","50":"137716.9103","51":"155193.2468","52":"10387.4738","53":"106645.037","54":"80427.40735","55":"621068.395","56":"157378.0311","57":"18934.46116","58":"212723.5484","59":"62652.6082","60":"439585.3699","61":"118117.3594","62":"146368.4105","63":"382632.977"},{"Metabolite":"Ibuprofen","1":"108000.7625","2":"116874.1019","3":"116485.646","4":"157242.4511","5":"232533.1041","6":"84447.17239","7":"66176.98503","8":"45266.1232","9":"7059.167166","10":"138144.8021","11":"110074.4597","12":"174617.6977","13":"11555.97157","14":"86753.00176","15":"344974.8294","16":"176479.279","17":"31714.7601","18":"7160.393832","19":"38461.14514","20":"13037.85078","21":"79666.15946","22":"19973.98756","24":"198733.1237","25":"176175.0875","26":"285939.0793","27":"161062.7191","28":"16991.06746","29":"17454.73651","30":"35070.51794","31":"15495.83408","32":"6585.085044","33":"5614.71522","34":"9775.821874","35":"10195.48244","36":"16765.70435","37":"51983.27796","38":"15219.3281","39":"10051.67902","40":"24653.8522","41":"33444.60718","42":"196592.7077","43":"64098.31878","44":"15714.7281","45":"31266.39034","46":"35454.28122","47":"68749.29624","48":"30086.14714","49":"45900.68367","50":"80534.6223","51":"17690.15128","52":"86790.39187","53":"323664.9484","54":"1276484.267","55":"42186.13857","56":"584635.39","57":"490086.4131","58":"24197.78204","59":"1112240.469","60":"2304761.263","61":"31566.10615","62":"795212.039","63":"266109.9158"},{"Metabolite":"Icaritin","1":"4305.147408","2":"3926.460165","3":"8546.605102","4":"3266.516814","5":"3528.192152","6":"3213.651756","7":"2919.966512","8":"2635.903012","9":"2979.433843","10":"2739.757454","11":"3002.004784","12":"6078.082967","13":"2965.611296","14":"2761.659885","15":"2890.427618","16":"2619.328708","17":"4573.46428","18":"3529.542184","19":"3693.176465","20":"2236.189174","21":"3257.743514","22":"3595.795079","24":"2923.497873","25":"2586.906295","26":"2889.72845","27":"2402.469902","28":"2165.469271","29":"2213.981685","30":"2079.201943","31":"2139.702719","32":"2212.735521","33":"1898.752046","34":"1966.147558","35":"1962.299497","36":"2002.073353","37":"2440.539343","38":"2036.531833","39":"2026.349743","40":"1988.000117","41":"2055.157094","42":"2003.999546","43":"1900.0401","44":"1940.625665","45":"1901.929169","46":"1847.451225","47":"1861.551582","48":"2790.740595","49":"3458.310543","50":"4337.999839","51":"3849.923999","52":"6367.245134","53":"4062.280011","54":"281039.6205","55":"4289.894255","56":"4249.962965","57":"3767.21358","58":"3643.700164","59":"3240.609763","60":"4324.482319","61":"3904.834289","62":"4325.626448","63":"3286.402887"},{"Metabolite":"Indole","1":"4982.855001","2":"63816.57797","3":"3142.808443","4":"3874.567994","5":"3748.391934","6":"5332.999842","7":"3887.488276","8":"5399.826155","9":"54233.11423","10":"35790.98644","11":"4822.540307","12":"29662.10157","13":"105032.7152","14":"5947.462536","15":"4917.975533","16":"6411.275362","17":"5087.654367","18":"45175.28169","19":"3921.990944","20":"2641.441048","21":"12015.81671","22":"37572.87281","24":"4823.13263","25":"2731.959544","26":"3709.52892","27":"32288.78164","28":"2966.103828","29":"2637.198498","30":"2475.898388","31":"9375.539513","32":"2846.989564","33":"2402.810703","34":"2507.01455","35":"2544.427595","36":"2729.82893","37":"5068.804692","38":"2516.825185","39":"2654.129792","40":"3461.008728","41":"2650.846628","42":"2559.990241","43":"4205.822559","44":"2857.707392","45":"6280.717784","46":"2638.060407","47":"4086.149354","48":"29287.76136","49":"5513.474325","50":"15064.56199","51":"646105.1069","52":"19298.7963","53":"13440.67965","54":"47914.09285","55":"103274.6465","56":"14291.56943","57":"8496.840698","58":"20910.6357","59":"7557.703972","60":"5519.826259","61":"15529.88396","62":"4821.692154","63":"11764.02492"},{"Metabolite":"Isoquinoline","1":"49316.40251","2":"96509.77116","3":"49221.44996","4":"15129.63575","5":"15932.44669","6":"834353.9553","7":"13752.1786","8":"14465.23825","9":"393933.8963","10":"198152.4287","11":"18672.67121","12":"34592.89024","13":"260843.125","14":"14181.76278","15":"4577.461669","16":"44171.51207","17":"53354.43858","18":"642883.7604","19":"13728.21782","20":"1713.533083","21":"21018.84087","22":"651935.9175","24":"14421.22173","25":"42100.5547","26":"15526.42746","27":"110831.5799","28":"13775.61141","29":"3219.844025","30":"5321.191134","31":"23819.2344","32":"15562.81577","33":"1746.296427","34":"1672.934264","35":"8702.403773","36":"5939.420356","37":"105375.343","38":"41042.07551","39":"41729.60003","40":"32310.1447","41":"11554.33743","42":"2475.252628","43":"485340.7212","44":"142495.5084","45":"12156.31341","46":"6208.094751","47":"175779.8104","48":"46812.03409","49":"21724.22316","50":"171007.3946","51":"56436.02385","52":"143062.9986","53":"29623.02122","54":"38484.34702","55":"296313.5896","56":"42473.68878","57":"23969.90365","58":"51573.04249","59":"56720.18902","60":"21984.16549","61":"29601.99255","62":"33314.48924","63":"71746.38048"},{"Metabolite":"Jasmonic acid","1":"3227825.58","2":"3361123.147","3":"848239.6962","4":"1096527.121","5":"1061654.908","6":"1319043.919","7":"1264319.319","8":"495045.8635","9":"173664.8329","10":"2338943.322","11":"518313.8368","12":"707072.6314","13":"797620.5211","14":"1679121.422","15":"789282.646","16":"3366943.929","17":"349325.5273","18":"30307.48024","19":"721289.1845","20":"105029.8394","21":"1195716.98","22":"42703.83929","24":"1324422.711","25":"911195.5275","26":"3636191.677","27":"234732.8278","28":"97432.93901","29":"156647.346","30":"93275.12588","31":"398689.0554","32":"89927.67554","33":"39391.01306","34":"56123.76062","35":"83919.10865","36":"90818.2581","37":"236891.7911","38":"128355.1273","39":"88958.25801","40":"68583.54657","41":"274753.3255","42":"95647.65147","43":"22979.23585","44":"60472.62222","45":"161489.4466","46":"311972.857","47":"569415.8359","48":"541785.9243","49":"806921.1821","50":"2651486.072","51":"1439128.737","52":"1575637.026","53":"1797608.467","54":"59936.09371","55":"957197.5555","56":"1946270.41","57":"3258124.964","58":"2177270.849","59":"3479737.303","60":"4073987.601","61":"3051381.241","62":"3397646.612","63":"1868751.45"},{"Metabolite":"Kahweol","1":"95031.38087","2":"39009.61233","3":"213843.823","4":"25161.04661","5":"524180.7205","6":"70080.69792","7":"44956.64612","8":"17066.53824","9":"158763.578","10":"10135.7679","11":"45526.57765","12":"11852.66156","13":"23657.50784","14":"268062.0722","15":"95210.85338","16":"18973.72785","17":"3050040.328","18":"39183.44589","19":"878864.8016","20":"44507.66894","21":"29437.3639","22":"38755.44507","24":"192038.2334","25":"33217.05186","26":"16221.81104","27":"10042.49855","28":"13891.42322","29":"26037.55096","30":"18630.92907","31":"98628.95767","32":"86008.59112","33":"9841.44519","34":"12632.49298","35":"106310.7695","36":"219652.6143","37":"154931.0341","38":"9006.074783","39":"18907.40487","40":"16526.51303","41":"39019.66134","42":"19874.33355","43":"11395.7988","44":"11691.71756","45":"12095.59437","46":"11083.80162","47":"63646.44758","48":"44493.00468","49":"18774.64086","50":"269758.4435","51":"50342.85469","52":"1104107.45","53":"23527.61303","54":"42985.16147","55":"398095.8524","56":"83559.44805","57":"300104.6514","58":"175362.2868","59":"40034.31364","60":"11253.59669","61":"681522.4368","62":"24851.59791","63":"27541.72084"},{"Metabolite":"Kynurenic acid","1":"2460699.875","2":"10023560.8","3":"97355.65261","4":"172684.7359","5":"235017.4532","6":"35318.3788","7":"11081.46383","8":"19530.31912","9":"381641.1318","10":"2233424.789","11":"16797.93434","12":"19839.25451","13":"852897.2174","14":"298175.2728","15":"227677.9466","16":"278262.7836","17":"964614.8954","18":"1379841.433","19":"25688.50122","20":"20347.10855","21":"158237.1071","22":"1657176.87","24":"226213.7322","25":"19549.62183","26":"105494.6642","27":"213056.9064","28":"25944.11475","29":"18794.94343","30":"19807.80717","31":"318299.1909","32":"146932.8826","33":"14562.97189","34":"10757.00435","35":"13573.07758","36":"33844.09843","37":"212591.8721","38":"52881.55235","39":"532955.1848","40":"363058.4918","41":"82020.80575","42":"13248.93359","43":"456015.982","44":"387583.289","45":"104082.2521","46":"31028.76009","47":"1184395.393","48":"1347666.536","49":"16917.06289","50":"74722.3705","51":"2588063.804","52":"1426666.903","53":"36355.84761","54":"155810.0066","55":"682188.419","56":"19436.61307","57":"613925.0678","58":"111831.3005","59":"442471.8502","60":"459418.3971","61":"328604.3355","62":"204333.7897","63":"38873.94461"},{"Metabolite":"L-Phenylalanine","1":"2977865.54","2":"78880815.94","3":"174629.5352","4":"10386238.52","5":"10157749.6","6":"41796474.18","7":"14679476.08","8":"12745952.57","9":"55688555.73","10":"40829911.61","11":"5762745.518","12":"21614354.22","13":"57406075.94","14":"9510249.026","15":"9529135.601","16":"31210060.97","17":"26304469.33","18":"201954208.5","19":"7893865.298","20":"1335349.457","21":"17927892.14","22":"144533619.4","24":"14573774.42","25":"22569440.35","26":"37521875.39","27":"22848745.03","28":"4048992.695","29":"3453886.21","30":"1777821.616","31":"6376714.76","32":"2289245.21","33":"278771.4394","34":"1894332.034","35":"4315055.019","36":"8006108.177","37":"10829768.33","38":"2887537.693","39":"14199775.31","40":"11718324.08","41":"3821081.547","42":"845614.934","43":"64978744.44","44":"22546375.56","45":"6490109.596","46":"9012642.439","47":"14559659.33","48":"8856556.948","49":"22553637.69","50":"19822763.35","51":"155054838.7","52":"12025614.7","53":"13441333.93","54":"244444435.7","55":"88244105.51","56":"24379559.56","57":"38881202.68","58":"27086599.42","59":"18144359.65","60":"49110656.48","61":"33071479.83","62":"46228077.92","63":"46274488.82"},{"Metabolite":"L-Tyrosine","1":"11720.61186","2":"17795.88323","3":"4362.00298","4":"5148.905056","5":"4375.091405","6":"7153.728837","7":"4538.206796","8":"4533.493872","9":"16783.48321","10":"10399.50444","11":"12037.06403","12":"4633.590288","13":"14802.00444","14":"4852.944928","15":"4463.89309","16":"5041.606638","17":"6174.342233","18":"151095.8431","19":"4430.723484","20":"3934.577436","21":"4496.177121","22":"89155.25617","24":"4215.394531","25":"4534.469753","26":"4957.335286","27":"4485.809163","28":"4035.523226","29":"4063.930076","30":"4120.604264","31":"4789.862747","32":"4355.516321","33":"3861.655845","34":"3940.363956","35":"4023.510816","36":"3878.31565","37":"3961.184461","38":"4076.705801","39":"4022.123359","40":"4104.432025","41":"4296.796596","42":"3949.253983","43":"128395.277","44":"35206.00155","45":"3953.292581","46":"3950.631016","47":"4010.608581","48":"4295.880819","49":"5249.651928","50":"5105.670021","51":"9174.500909","52":"5369.567022","53":"6696.870293","54":"11473.77654","55":"7351.681916","56":"5351.18439","57":"8477.16415","58":"5459.227282","59":"5143.922767","60":"9334.07889","61":"5603.490169","62":"5523.83549","63":"5504.132102"},{"Metabolite":"Methocarbamol","1":"6415.534887","2":"5993.347681","3":"5180.661803","4":"5188.891676","5":"5607.413674","6":"7173.113397","7":"5250.661903","8":"5134.228395","9":"4943.661389","10":"6660.72734","11":"5535.037808","12":"5223.69294","13":"4845.995772","14":"5243.291368","15":"5428.947962","16":"5743.266896","17":"5003.571784","18":"12130.42989","19":"5952.053846","20":"4688.200791","21":"5259.56998","22":"5609.675204","24":"7004.536365","25":"5448.25202","26":"5799.681239","27":"4898.071758","28":"4742.603541","29":"4750.718783","30":"4662.012414","31":"4667.86094","32":"4737.164637","33":"4653.032618","34":"4541.03329","35":"4600.517156","36":"4579.376289","37":"4982.714893","38":"4546.135624","39":"4676.581773","40":"4654.597444","41":"4775.3408","42":"4624.079948","43":"4816.886509","44":"4707.530246","45":"4591.02647","46":"4637.193277","47":"5054.54815","48":"6115.094841","49":"5965.360693","50":"7596.398092","51":"18055.59634","52":"7378.298442","53":"6848.467045","54":"7890.369018","55":"6539.885787","56":"7168.903328","57":"7298.941853","58":"6245.040012","59":"48479.82073","60":"7727.045796","61":"1939352.627","62":"6828.361565","63":"8096.190916"},{"Metabolite":"Methyl indole-3-acetate","1":"97371.56917","2":"235273.6291","3":"49640.27903","4":"205768.0784","5":"161473.7723","6":"223459.6193","7":"67707.28956","8":"69872.87309","9":"420789.7817","10":"156812.1568","11":"1777137.681","12":"165360.584","13":"567834.1197","14":"168781.8691","15":"60890.24172","16":"76465.73053","17":"147810.2213","18":"1391065.01","19":"131477.6319","20":"15885.18337","21":"98186.68913","22":"1519794.483","24":"59601.72937","25":"110669.4197","26":"108567.5787","27":"139005.721","28":"25356.19192","29":"33344.96387","30":"17549.49838","31":"99285.52479","32":"15623.5831","33":"15352.94499","34":"24780.39407","35":"18365.66846","36":"24481.68728","37":"612305.1442","38":"244586.2341","39":"39201.86935","40":"30166.98217","41":"51230.32567","42":"18587.94738","43":"249341.3202","44":"80788.48819","45":"12817.1533","46":"37683.7878","47":"314183.5235","48":"84041.20774","49":"109372.5466","50":"234036.6822","51":"722468.0872","52":"122907.1233","53":"184715.4231","54":"17151.23803","55":"887273.7162","56":"119210.0201","57":"315868.4256","58":"211273.6197","59":"201532.7009","60":"50237.76205","61":"161134.2337","62":"103431.9534","63":"408206.802"},{"Metabolite":"Methylparaben","1":"3246.132729","2":"19960.78722","3":"18609.68586","4":"19939.36462","5":"3046.58447","6":"3894.253311","7":"19738.18179","8":"18414.47139","9":"2120.570207","10":"21937.95186","11":"3221.118086","12":"8001.854738","13":"20203.56182","14":"2989.846272","15":"3676.234735","16":"17679.78692","17":"2774.482309","18":"2341.931793","19":"19171.64439","20":"1895.085435","21":"3231.85424","22":"18883.03545","24":"19121.65357","25":"18569.43926","26":"42604.78703","27":"2342.386747","28":"1792.270915","29":"16953.47196","30":"1823.256105","31":"2356.820207","32":"19736.51869","33":"16775.23228","34":"1941.666045","35":"16088.26448","36":"19233.39716","37":"18500.42266","38":"16846.16942","39":"16850.18857","40":"17065.40407","41":"2320.936721","42":"2092.744589","43":"17652.39354","44":"1821.010705","45":"18876.26688","46":"1906.454242","47":"17419.10216","48":"21940.7726","49":"529379.3161","50":"24848.72684","51":"20888.80703","52":"4577.899676","53":"24091.37856","54":"5155.966886","55":"18131.5977","56":"3938.52195","57":"24063.05287","58":"22141.2984","59":"3444.45805","60":"4526.287657","61":"23714.48879","62":"24001.90746","63":"21189.78527"},{"Metabolite":"MMAI","1":"4590.020059","2":"5944.036048","3":"5737.194447","4":"6285.787419","5":"5320.252443","6":"5422.81731","7":"5570.447267","8":"5441.037667","9":"5331.435631","10":"5425.891192","11":"5094.445107","12":"5582.204765","13":"5309.434378","14":"5533.080806","15":"5179.694183","16":"5577.963196","17":"5166.790797","18":"4889.580373","19":"4950.613968","20":"4299.040846","21":"6050.108952","22":"5820.391711","24":"5009.397567","25":"5841.950317","26":"1853923.064","27":"25266.23524","28":"4282.091993","29":"4455.427983","30":"4524.561895","31":"4315.378529","32":"4335.773842","33":"4201.565656","34":"4250.061473","35":"4346.27876","36":"4319.134871","37":"4468.220268","38":"4365.246272","39":"5535.558521","40":"4393.369891","41":"5482.962552","42":"4403.565275","43":"4786.671321","44":"4462.201148","45":"4488.400251","46":"4558.043919","47":"4480.196727","48":"5191.599556","49":"110282.885","50":"6312.091569","51":"8301.266385","52":"6650.756056","53":"6638.542198","54":"6573.643965","55":"8176.248797","56":"11549.08341","57":"7099.768548","58":"6773.955857","59":"5977.036806","60":"6636.273676","61":"7620.019738","62":"7691.512867","63":"7054.357921"},{"Metabolite":"N,N'-Dicyclohexylurea","1":"11926.3312","2":"110580.0126","3":"10238.85363","4":"10793.45977","5":"2865.284331","6":"6631.26594","7":"38861.8913","8":"21717.99219","9":"9694.284277","10":"6631.450429","11":"6417.431227","12":"8667.852993","13":"4539.106471","14":"4149.814573","15":"6091.178223","16":"13425.3776","17":"2619.772982","18":"5081.48073","19":"2580.763529","20":"2541.158729","21":"3003.290556","22":"2246.972681","24":"2808.108089","25":"4920.242427","26":"2718.578994","27":"6044.758152","28":"4213.686481","29":"3724.748327","30":"3190.997341","31":"1725.800536","32":"1907.399472","33":"1905.455221","34":"1449.158406","35":"1890.53624","36":"2372.383673","37":"4027.185485","38":"3522.64688","39":"2766.120922","40":"2533.925028","41":"3099.156849","42":"2845.780767","43":"1715.833404","44":"2073.828096","45":"1643.542643","46":"1747.078258","47":"2563.790808","48":"1805.498224","49":"2466.682223","50":"3490.148468","51":"1928.500737","52":"3707.653852","53":"2757.158791","54":"9858.737886","55":"2033.551135","56":"2957.685589","57":"2970.336531","58":"2429.694648","59":"2709.01458","60":"2940.905296","61":"2641.494018","62":"2359.800603","63":"2351.592373"},{"Metabolite":"N4-Acetylsulfamethoxazole","1":"20359.18745","2":"5215.627","3":"6500.406079","4":"10859.70265","5":"13262.27466","6":"6363.526468","7":"29905.01714","8":"40696.94364","9":"4210.99546","10":"6098.55864","11":"19393.02058","12":"21671.98728","13":"3688.510391","14":"12214.37152","15":"11333.32615","16":"20849.83892","17":"6562.462761","18":"4669.224374","19":"8014.502145","20":"3314.861789","21":"14244.49397","22":"6717.933618","24":"18978.14692","25":"14762.84314","26":"10331.71579","27":"15964.95211","28":"3523.592005","29":"9513.065815","30":"3644.757573","31":"4606.673867","32":"4148.022842","33":"4528.903536","34":"7588.62576","35":"3544.522894","36":"4690.853384","37":"3781.71584","38":"3614.934369","39":"3670.508909","40":"3922.777419","41":"4006.683932","42":"5698.764268","43":"3995.684648","44":"3605.721822","45":"3515.171419","46":"3818.85932","47":"9296.851138","48":"5162.88563","49":"23046.36403","50":"15461.50723","51":"5740.720498","52":"14171.19483","53":"26120.00658","54":"26728.00161","55":"6156.754015","56":"31465.95944","57":"18317.58931","58":"96895.82488","59":"28419.18935","60":"1595636.857","61":"16432.14255","62":"18453.349","63":"21140.41288"},{"Metabolite":"N-Acetyl-DL-tryptophan","1":"9136.720975","2":"152290.0831","3":"33803.72629","4":"6762.444939","5":"9918.658425","6":"18596.01994","7":"51624.65069","8":"19290.05517","9":"13762.95007","10":"81608.71779","11":"56252.2992","12":"6123.393843","13":"23738.56851","14":"5484.775551","15":"5016.096004","16":"80689.35009","17":"60892.82784","18":"409034.7512","19":"11328.89414","20":"12657.45353","21":"9203.91639","22":"30101.81696","24":"13140.22562","25":"11124.40006","26":"5454.569329","27":"11067.54749","28":"4258.284926","29":"6119.727393","30":"4544.61232","31":"9425.926716","32":"6623.978694","33":"14273.02534","34":"4846.418892","35":"15145.0453","36":"11127.69626","37":"81990.06592","38":"18685.70055","39":"4806.240089","40":"8841.274036","41":"7015.400133","42":"5299.935777","43":"16824.90067","44":"4080.136994","45":"7587.20458","46":"4083.446625","47":"23615.01184","48":"20005.22784","49":"18376.80189","50":"14282.13533","51":"121304.0075","52":"68111.81434","53":"57208.16288","54":"90919.78563","55":"132019.9654","56":"32159.80941","57":"302535.8633","58":"7776.271827","59":"34075.50093","60":"13035.57019","61":"18549.44328","62":"184659.5591","63":"25711.75466"},{"Metabolite":"N-Acetyl-L-leucine","1":"125821.6601","2":"65347.59248","3":"46367.37663","4":"74203.66031","5":"88508.90472","6":"59889.22705","7":"23751.13627","8":"35797.00626","9":"117868.7525","10":"58514.42221","11":"58992.535","12":"32638.03283","13":"341602.553","14":"62145.94871","15":"41421.03672","16":"99056.29616","17":"75511.78303","18":"1574245.334","19":"143830.9799","20":"9843.831736","21":"111473.7323","22":"365387.11","24":"39503.11457","25":"73932.64774","26":"110694.299","27":"49123.09086","28":"10783.95727","29":"15516.9379","30":"9767.431754","31":"32646.2634","32":"10502.77315","33":"10792.22395","34":"9578.225714","35":"9473.252896","36":"25346.16391","37":"89135.75584","38":"38684.04012","39":"9538.207381","40":"22770.3208","41":"13257.27534","42":"11668.96837","43":"319608.0406","44":"91964.4588","45":"14000.79823","46":"16806.40211","47":"276206.6706","48":"23315.82182","49":"55901.17392","50":"71191.85369","51":"671765.3962","52":"266737.0191","53":"89103.75145","54":"1246238.499","55":"441144.4948","56":"141921.0301","57":"111489.6085","58":"110917.1482","59":"136288.8972","60":"178519.3487","61":"103722.0475","62":"209039.1622","63":"138492.7882"},{"Metabolite":"N-Acetylserotonin","1":"23790.17627","2":"10329.11609","3":"9106.834213","4":"14536.40185","5":"12003.90759","6":"12344.61205","7":"150951.6257","8":"8941.353882","9":"18395.56189","10":"144670.815","11":"106639.664","12":"11450.48234","13":"16874.69583","14":"9751.147188","15":"12247.66842","16":"11252.52126","17":"101196.5047","18":"21354.08598","19":"15403.10331","20":"9316.791969","21":"228116.68","22":"8914.367099","24":"138440.8924","25":"12145.0231","26":"39219.6947","27":"94189.42603","28":"7284.813985","29":"8375.858686","30":"9468.248435","31":"7406.479742","32":"8099.857181","33":"6739.547725","34":"15137.36944","35":"8033.534479","36":"10790.36896","37":"8105.972711","38":"7075.077198","39":"9181.255129","40":"12945.53862","41":"7389.161263","42":"8372.216246","43":"7599.503862","44":"6787.730687","45":"7641.888529","46":"9777.965826","47":"6983.61093","48":"323898.6209","49":"95194.17517","50":"214762.7485","51":"43065.84806","52":"67505.96562","53":"49423.70146","54":"23809.46018","55":"12141.07174","56":"292312.4262","57":"95554.28216","58":"14488.20432","59":"118395.1475","60":"40786.32726","61":"41256.17225","62":"42673.01819","63":"40328.05245"},{"Metabolite":"N-Acetyltyramine","1":"28880.68524","2":"47756.27341","3":"40285.51515","4":"116170.9951","5":"138545.8013","6":"92568.91855","7":"10711.1477","8":"35747.10576","9":"405477.7481","10":"186836.1015","11":"29941.45989","12":"33111.284","13":"819646.4325","14":"98610.67184","15":"23685.68191","16":"85738.85689","17":"73601.54542","18":"588418.0798","19":"15693.9973","20":"9328.149935","21":"61514.96711","22":"17881.24298","24":"53246.32272","25":"14147.48833","26":"95094.19167","27":"1500721.62","28":"141751.7238","29":"39395.69047","30":"8386.758236","31":"34431.63831","32":"8313.109705","33":"7311.239908","34":"7942.36598","35":"18061.61837","36":"34602.00663","37":"20363.94047","38":"10293.13463","39":"47363.36377","40":"137091.4986","41":"16791.54217","42":"14771.84748","43":"36462.30539","44":"15385.40622","45":"18559.46411","46":"7353.582792","47":"83786.60533","48":"105775.5232","49":"102430.2093","50":"58052.87145","51":"1170351.655","52":"682067.146","53":"167231.4897","54":"12178.74442","55":"2685010.545","56":"264378.4673","57":"77232.15336","58":"144402.5773","59":"24903.23497","60":"42240.23094","61":"55240.20319","62":"180920.9758","63":"73262.27477"},{"Metabolite":"N-Benzylformamide","1":"15580.66683","2":"31277.49308","3":"27014.04957","4":"11085.09123","5":"20472.68027","6":"34944.78792","7":"11427.75958","8":"11656.80409","9":"25328.83634","10":"23584.8827","11":"11148.42285","12":"16240.73961","13":"45172.48849","14":"16453.69558","15":"17290.55148","16":"39210.86276","17":"25494.54575","18":"300280.992","19":"18757.05945","20":"7861.391058","21":"17463.49659","22":"119920.5665","24":"10688.45309","25":"9860.863839","26":"31085.56347","27":"34538.21199","28":"8781.931645","29":"7784.00449","30":"7792.779302","31":"9061.876253","32":"7781.162538","33":"7887.660753","34":"7812.527187","35":"7890.464929","36":"8048.695573","37":"78957.27588","38":"30777.35399","39":"9067.197969","40":"9286.92659","41":"8133.454985","42":"9002.873942","43":"37965.77567","44":"12383.87573","45":"7820.856156","46":"7874.232355","47":"23542.29592","48":"12353.30656","49":"20067.01059","50":"21561.71258","51":"115633.9195","52":"25030.37599","53":"18450.85581","54":"25213.29829","55":"104390.6235","56":"22655.46859","57":"13371.03166","58":"27213.26395","59":"18549.31532","60":"34580.11829","61":"28542.18648","62":"20429.83877","63":"69642.95847"},{"Metabolite":"Oxprenolol","1":"46038.76506","2":"64835.50285","3":"3668.053005","4":"19195.21319","5":"26529.71459","6":"32720.56002","7":"21673.75453","8":"8875.141165","9":"3802.892104","10":"64616.26703","11":"24669.21306","12":"11692.06745","13":"3613.881023","14":"30068.44926","15":"3690.626267","16":"24162.81661","17":"13649.64581","18":"5415.120421","19":"8121.233957","20":"4092.857318","21":"9159.111397","22":"3876.251265","24":"14183.87764","25":"15203.50447","26":"3700.319572","27":"3594.183596","28":"3446.564997","29":"3581.514028","30":"3520.026976","31":"4067.86438","32":"3531.632912","33":"3413.241663","34":"3451.506255","35":"3519.287053","36":"3527.025463","37":"9849.617503","38":"3365.996956","39":"3760.166786","40":"3438.495208","41":"3431.677731","42":"3503.296974","43":"3617.000828","44":"3519.681988","45":"3382.447291","46":"3429.331736","47":"18215.19966","48":"6756.265225","49":"45793.02056","50":"96092.84385","51":"31573.32616","52":"40716.4535","53":"12935.25794","54":"4909.159408","55":"36219.51865","56":"55015.68397","57":"25450.95334","58":"27438.90003","59":"63983.30825","60":"4493.574035","61":"39132.52304","62":"4501.62749","63":"23497.86046"},{"Metabolite":"Oxyphenbutazone","1":"8115.671741","2":"32250.93664","3":"6618.682118","4":"8854.298247","5":"13418.89879","6":"62757.95433","7":"9160.678401","8":"6566.23444","9":"1091359.154","10":"178379.788","11":"12396.80124","12":"10628.23814","13":"286182.1373","14":"50961.11746","15":"6188.555373","16":"7354.441577","17":"6523.382842","18":"6139.621687","19":"2103279.65","20":"5245.846246","21":"7836.272712","22":"6498.060797","24":"6689.022401","25":"5566.408468","26":"6590.471425","27":"5310.660557","28":"63495.47001","29":"101508.3813","30":"3210.963776","31":"4690.897074","32":"2866.291964","33":"3274.544438","34":"2711.75041","35":"3398.448927","36":"5763.214891","37":"4845.596217","38":"3987.162682","39":"4473.287509","40":"3971.351653","41":"4643.454691","42":"4030.28624","43":"4055.634536","44":"14341.67344","45":"3997.926745","46":"4238.940599","47":"92888.41489","48":"212492.1146","49":"23404.9088","50":"14115.82247","51":"8790.022867","52":"11498.18883","53":"8158.021013","54":"8136.532318","55":"11165.04364","56":"9746.923661","57":"10627.35836","58":"15177.61482","59":"828253.7888","60":"10083.01426","61":"111253.5389","62":"8228.741228","63":"14228.67007"},{"Metabolite":"PEG n5","1":"13941396.45","2":"12315410.63","3":"9454776.515","4":"11422453.99","5":"14018106.84","6":"12112981.67","7":"12257952.97","8":"11757383.25","9":"9178697.327","10":"10115927.44","11":"10824274.29","12":"10981140.22","13":"10738899.54","14":"8675176.559","15":"9968106.155","16":"9554252.94","17":"11373622.72","18":"10015412.23","19":"11988570.86","20":"1459075.383","21":"11935151.88","22":"10236128.33","24":"9003614.119","25":"6984830.419","26":"11228036.57","27":"9465061.812","28":"1870016.708","29":"2632088.056","30":"1793972.999","31":"3092895.752","32":"1184153.463","33":"694022.3773","34":"1098711.68","35":"1920320.415","36":"1462498.422","37":"2208723.349","38":"1521608.006","39":"1767617.367","40":"2090478.173","41":"2987352.504","42":"1557540.48","43":"2263638.702","44":"1346269.772","45":"1080809.479","46":"1713191.669","47":"2316423.756","48":"12003223.08","49":"17713618.25","50":"23408119.28","51":"25375320.36","52":"24391025.45","53":"20787720.41","54":"19131398.78","55":"23572417.07","56":"55522534.43","57":"21674676.74","58":"24091280.35","59":"14953079.45","60":"25826386.22","61":"24708407.05","62":"14834633.22","63":"12342086.49"},{"Metabolite":"PEG n6","1":"24432170.8","2":"23521752.83","3":"17187431.66","4":"21584741.42","5":"19679396.83","6":"22339374.6","7":"23955127.74","8":"22244851.73","9":"18509734.41","10":"18664637.31","11":"21164336.47","12":"19306239.25","13":"22131775.75","14":"17456646.26","15":"19077499.14","16":"18912883.98","17":"19864957.05","18":"20371038.68","19":"25928091.42","20":"3322838.275","21":"22348441.12","22":"21161714.35","24":"17920183.13","25":"13610826.74","26":"21824117.63","27":"19034214.25","28":"3846329.346","29":"5343800.122","30":"3530510.667","31":"5695357.595","32":"2518224.977","33":"1473410.813","34":"2236934.8","35":"3933481.158","36":"3336405.945","37":"4463627.56","38":"2836206.674","39":"3592163.957","40":"4121710.61","41":"5884396.721","42":"3972420.713","43":"4547015.281","44":"2832029.466","45":"2198034.296","46":"3572807.072","47":"4381481.145","48":"23368700.27","49":"35786520.07","50":"61347213.73","51":"39553781.18","52":"38063109.46","53":"45428323.56","54":"39347283.55","55":"38495278.38","56":"132644502.9","57":"40467680.73","58":"43575843.47","59":"24118869.04","60":"42753608.43","61":"35469242.88","62":"27242024.66","63":"23799062.7"},{"Metabolite":"PEG n7","1":"20220704.57","2":"16670791.86","3":"15451993.91","4":"15287470.37","5":"22144947.29","6":"16137283","7":"12998694.22","8":"15809269.73","9":"18059442.95","10":"11912300.56","11":"17644802.16","12":"8664306.694","13":"10917642.99","14":"10586020.51","15":"14381496.77","16":"12169099.98","17":"17086960.72","18":"15341718.56","19":"15711558.23","20":"2162494.578","21":"16741994.53","22":"14210217.3","24":"11783384.75","25":"10607218.27","26":"14606497.03","27":"13863621.59","28":"2634857.08","29":"3594690.51","30":"2430499.925","31":"4150670.494","32":"1637142.38","33":"1007557.671","34":"1495194.802","35":"2308070.065","36":"2192959.239","37":"2289738.695","38":"1791671.692","39":"2663094.004","40":"2692834.079","41":"3896615.552","42":"2306314.642","43":"2948241.847","44":"2115649.204","45":"1553365.518","46":"2388393.974","47":"3430851.873","48":"15529169.27","49":"30945711.41","50":"28336737.54","51":"31809929.4","52":"25876501.85","53":"33440736.89","54":"23640667.34","55":"29470278.23","56":"112238387.4","57":"27444352.59","58":"32352304.54","59":"18714175.35","60":"29748813.74","61":"30813331.79","62":"18691603.97","63":"16544668.85"},{"Metabolite":"PEG n8","1":"4878805.405","2":"3651926.184","3":"3204546.858","4":"3470687.092","5":"8720946.961","6":"3552929.552","7":"3480281.88","8":"2391186.323","9":"3950394.448","10":"2228821.393","11":"3173232.617","12":"3676893.104","13":"3012612.904","14":"2304474.315","15":"3311812.81","16":"2637663.997","17":"5041105.49","18":"3291805.373","19":"3436363.482","20":"462643.9851","21":"3960264.556","22":"3366301.928","24":"2413669.475","25":"2348056.902","26":"3311751.068","27":"3061809.588","28":"466537.2004","29":"739916.3891","30":"547451.2841","31":"694673.678","32":"532773.9496","33":"216371.9841","34":"334606.0594","35":"592263.0531","36":"486320.2874","37":"576107.4079","38":"411295.4879","39":"591897.2893","40":"631310.4762","41":"885722.3506","42":"588282.4064","43":"712654.9991","44":"469532.667","45":"365454.3067","46":"547126.7409","47":"675822.9762","48":"3594200.646","49":"6328893.064","50":"6193982.936","51":"8395856.573","52":"7931889.472","53":"6789186.229","54":"4973988.084","55":"6873164.273","56":"64125079.24","57":"6630448.597","58":"7679708.039","59":"5448668.654","60":"6870662.458","61":"7262704.929","62":"2765209.966","63":"3918507.485"},{"Metabolite":"Phenacetin","1":"231064.7217","2":"22128.00871","3":"3152.306103","4":"12396.07744","5":"32208.47116","6":"15508.1835","7":"11789.83699","8":"2977.177717","9":"13969.95842","10":"22436.94054","11":"15591.2439","12":"8031.153955","13":"29057.33286","14":"16371.84607","15":"6805.169954","16":"22084.9136","17":"32348.45157","18":"301586.4075","19":"101597.2248","20":"2238.05829","21":"32296.87511","22":"15697.58136","24":"16566.09596","25":"5968.886803","26":"15721.82145","27":"7386.060891","28":"2521.961841","29":"2737.266863","30":"1959.276232","31":"35129.14234","32":"23203.91844","33":"2584.566286","34":"2990.515132","35":"4422.50741","36":"4135.371762","37":"7523.671248","38":"3714.083415","39":"3801.373065","40":"4946.491626","41":"9765.087325","42":"2076.763945","43":"9450.744352","44":"2680.263351","45":"3278.580357","46":"2081.511325","47":"8112.924788","48":"3575.524514","49":"12588.22651","50":"55581.50027","51":"26227.221","52":"164039.0841","53":"22409.01273","54":"22718.93839","55":"10467.59077","56":"62101.20015","57":"31987.37608","58":"16862.14386","59":"42127.00348","60":"22341.65802","61":"29164.42949","62":"10091.63914","63":"13310.31735"},{"Metabolite":"Pilocarpine","1":"6430.308689","2":"4513.577975","3":"4164.549469","4":"4275.996894","5":"23313.91982","6":"5830.932942","7":"4189.976179","8":"4242.375151","9":"4216.815596","10":"4512.024924","11":"146683.254","12":"4243.921048","13":"6978.04256","14":"4054.839839","15":"4310.108297","16":"4273.334822","17":"4280.344315","18":"22015.38922","19":"4183.844782","20":"3927.260644","21":"4440.164488","22":"5540.233406","24":"4307.226092","25":"4051.899901","26":"4236.216957","27":"4221.153501","28":"4025.456099","29":"3953.564261","30":"3950.967004","31":"4432.534229","32":"4193.332231","33":"3897.453717","34":"4241.874918","35":"4027.723144","36":"3980.859735","37":"4493.329007","38":"4080.741988","39":"3976.327762","40":"4089.54927","41":"4076.315234","42":"4828.376317","43":"4311.507253","44":"4092.374156","45":"3861.201216","46":"3833.189706","47":"4004.957822","48":"6404.094737","49":"4712.202667","50":"40468.90621","51":"5974.747553","52":"9137.544518","53":"4877.11495","54":"5462.096586","55":"7705.432162","56":"5252.976694","57":"4828.52371","58":"6670.273894","59":"60470.23788","60":"5953.235864","61":"6090.859119","62":"4875.133545","63":"9688.022656"},{"Metabolite":"Piperonylonitrile","1":"170805.7087","2":"183731.7405","3":"31617.76848","4":"77701.36352","5":"102416.4621","6":"154638.5577","7":"50298.42669","8":"86235.99474","9":"229024.0175","10":"364582.4316","11":"50322.97487","12":"128390.5655","13":"278783.8623","14":"163824.1863","15":"82586.4839","16":"199410.34","17":"147717.8587","18":"339306.8417","19":"204539.1322","20":"25130.44037","21":"81359.31959","22":"442009.4164","24":"155258.5618","25":"41148.1402","26":"103284.459","27":"150006.7782","28":"18710.35152","29":"27897.07893","30":"19952.25834","31":"50840.50255","32":"24971.85745","33":"16451.01654","34":"14825.50846","35":"34348.93474","36":"54630.79255","37":"306291.1828","38":"144809.1033","39":"36609.70484","40":"39395.80349","41":"35014.23969","42":"25611.44412","43":"180369.8602","44":"64976.99576","45":"32509.7101","46":"26862.53516","47":"49954.01584","48":"93694.23568","49":"144363.9756","50":"242509.3511","51":"403410.1728","52":"302106.4642","53":"145661.4747","54":"127449.6242","55":"1150755.954","56":"136414.8716","57":"118841.1406","58":"220434.3637","59":"242359.1659","60":"355247.2262","61":"270124.5098","62":"96766.84321","63":"383705.6599"},{"Metabolite":"Resorcinol monoacetate","1":"8800.91381","2":"15721.30303","3":"14431.92656","4":"12229.38766","5":"55229.12344","6":"15122.98457","7":"9441.307444","8":"9307.555623","9":"39410.96246","10":"9606.985109","11":"16899.35442","12":"9332.41067","13":"15976.33195","14":"9160.831502","15":"14220.81199","16":"16091.51908","17":"31726.90908","18":"53913.11823","19":"19978.96577","20":"8853.837894","21":"10419.89049","22":"13067.90537","24":"9064.928132","25":"14997.75099","26":"12076.64933","27":"24184.10811","28":"8921.309227","29":"9953.302712","30":"8917.70935","31":"9493.489294","32":"8810.954917","33":"8750.316109","34":"8641.296645","35":"11437.2099","36":"12619.18466","37":"16921.79667","38":"8695.15885","39":"10064.15391","40":"8784.186826","41":"8900.537192","42":"8998.356303","43":"14307.64948","44":"8565.394704","45":"9578.946977","46":"10192.53499","47":"11618.03263","48":"13604.66089","49":"11969.43302","50":"12094.3399","51":"22634.62515","52":"53831.72443","53":"10066.85001","54":"731858.8183","55":"45390.7593","56":"12297.8578","57":"26093.85126","58":"11910.13081","59":"18379.74016","60":"19513.30656","61":"14697.70064","62":"46380.24421","63":"40384.55373"},{"Metabolite":"Sulfadiazine","1":"11065.96429","2":"14235.62409","3":"11296.88283","4":"11427.39038","5":"11902.58257","6":"14031.24119","7":"11315.15341","8":"148513.6785","9":"14331.32576","10":"22508.86043","11":"11082.41536","12":"11029.47455","13":"12414.45167","14":"18664.0333","15":"19163.98269","16":"20855.7413","17":"6668941.369","18":"31649.88546","19":"11228.45365","20":"10652.14289","21":"21874.68665","22":"14020.86768","24":"10900.68173","25":"16669.89877","26":"23063.40676","27":"11069.37956","28":"12810.97709","29":"11185.17342","30":"10840.99173","31":"11217.5737","32":"10876.73574","33":"10497.82009","34":"10629.96137","35":"10838.71291","36":"10862.5457","37":"12130.34952","38":"10271.9243","39":"10758.93233","40":"10589.8899","41":"31548.08305","42":"18907.95683","43":"10951.34334","44":"10839.92924","45":"10551.49111","46":"10537.54768","47":"15985.5929","48":"11291.1226","49":"12087.33386","50":"12386.21868","51":"26206.05644","52":"12656.7118","53":"31447.89306","54":"20707.59817","55":"12726.86399","56":"13660.1237","57":"23176.48921","58":"15544.77906","59":"20651393.02","60":"1040405.382","61":"15900.00402","62":"15164.29747","63":"24718.18547"},{"Metabolite":"Sulfamethoxazole","1":"6746.265858","2":"7229.846651","3":"5699.394147","4":"5152.339038","5":"7955.097296","6":"7435.64176","7":"5321.204019","8":"10323.54614","9":"12263.2645","10":"9894.970287","11":"7119.02025","12":"8178.801406","13":"6548.602601","14":"5360.094888","15":"5223.854989","16":"7310.158964","17":"6092.738004","18":"5556.75212","19":"9944.600284","20":"13511.90405","21":"5355.548868","22":"6432.10665","24":"5164.469114","25":"5649.18696","26":"5628.890702","27":"4959.135122","28":"4711.604819","29":"4816.136103","30":"4787.148281","31":"5486.139108","32":"12402.00978","33":"11602.24117","34":"4919.107874","35":"4917.198008","36":"4823.862739","37":"11449.50756","38":"11618.61512","39":"13112.73038","40":"5026.961176","41":"4943.296312","42":"11551.42035","43":"4861.42178","44":"5002.684468","45":"4882.109955","46":"4813.262495","47":"4967.338103","48":"5343.842872","49":"8286.710187","50":"5784.327599","51":"5912.035989","52":"6067.539067","53":"5682.069836","54":"5883.021828","55":"5835.154086","56":"6977.000431","57":"6538.449466","58":"7543.951516","59":"8585.922009","60":"2474450.093","61":"6072.563813","62":"5901.27283","63":"6540.633314"},{"Metabolite":"Thymidine","1":"96269.98461","2":"314847.2152","3":"17732.3964","4":"1130480.572","5":"24163.24804","6":"612436.2213","7":"1598738.884","8":"1710141.928","9":"48749.47066","10":"1024908.322","11":"534334.277","12":"2116433.505","13":"32226.92095","14":"1084884.148","15":"1515452.664","16":"3071691.766","17":"537517.0006","18":"125913.555","19":"172294.8984","20":"118766.4145","21":"1363139.231","22":"301432.8963","24":"995337.3836","25":"2152962.696","26":"2651457.313","27":"1438998.251","28":"237166.3245","29":"310997.6875","30":"231262.8412","31":"168598.7837","32":"78160.56418","33":"83871.99489","34":"105543.7014","35":"198382.6067","36":"253792.6546","37":"374163.2463","38":"216832.6901","39":"177299.41","40":"543503.8947","41":"330640.7682","42":"113437.9326","43":"422180.5107","44":"150066.4952","45":"151430.4283","46":"383587.1504","47":"710233.4644","48":"378258.754","49":"1886197.526","50":"1862001.202","51":"174225.0681","52":"34937.21119","53":"1738766.93","54":"21826.33971","55":"1878910.863","56":"732983.2573","57":"664978.8603","58":"2148137.655","59":"1115412.708","60":"780774.1883","61":"2011676.294","62":"2524964.825","63":"5255843.261"},{"Metabolite":"Thymine","1":"551340.782","2":"21739451.73","3":"8936457.428","4":"6956393.749","5":"8622515.052","6":"8988189.846","7":"7338320.309","8":"4679921.815","9":"6093766.02","10":"13355889.46","11":"6426778.77","12":"4209584.253","13":"15049177.78","14":"2629786.722","15":"6902341.638","16":"11141881.8","17":"4932227.572","18":"5159457.325","19":"4132305.665","20":"733059.4269","21":"7012000.323","22":"15737693.01","24":"8069808.631","25":"9048216.852","26":"11098801.44","27":"16473875.49","28":"2390438.391","29":"1653693.944","30":"784718.4647","31":"1686233.283","32":"582936.8714","33":"464067.7969","34":"784143.0811","35":"1961751.074","36":"1553128.104","37":"1226956.103","38":"877478.1726","39":"2411842.218","40":"2436215.367","41":"1583415.847","42":"801624.0557","43":"7663416.296","44":"2900645.767","45":"1281720.043","46":"2201715.144","47":"1675357.296","48":"3443067.996","49":"6642204.833","50":"12759957.8","51":"36937108.43","52":"15142465.13","53":"7985138.335","54":"15480461.63","55":"27484594.01","56":"10521198.47","57":"16586551.54","58":"13817798.31","59":"9902483.195","60":"8225420.877","61":"14186740.83","62":"24194285.65","63":"14153348.89"},{"Metabolite":"Tolycaine","1":"26545.86452","2":"60047.80597","3":"7151.043565","4":"18493.39781","5":"10287.81665","6":"101427.9131","7":"31386.58128","8":"35034.69383","9":"8937.576538","10":"100944.1234","11":"13009.82883","12":"46958.78506","13":"7270.901538","14":"37699.90794","15":"25291.77057","16":"106290.0596","17":"30780.6927","18":"318618.3855","19":"15118.04312","20":"7036.048899","21":"43656.76495","22":"102773.808","24":"40876.4422","25":"8674.237527","26":"63796.577","27":"12634.96494","28":"13061.3236","29":"10832.33011","30":"8920.594874","31":"6852.125523","32":"7437.452212","33":"6963.606689","34":"7964.684994","35":"7345.134006","36":"6846.576186","37":"112024.8644","38":"39796.72295","39":"6860.173071","40":"10127.36468","41":"9653.980391","42":"7037.12142","43":"1106350.771","44":"290676.1655","45":"22431.52624","46":"11945.44172","47":"33912.51417","48":"18482.89178","49":"48139.41313","50":"44161.59894","51":"31960.35087","52":"21080.17951","53":"116435.6747","54":"62210.79096","55":"82627.76948","56":"61342.01223","57":"37972.97404","58":"20585.70979","59":"37092.72815","60":"138174.9631","61":"33673.14906","62":"73930.77156","63":"60925.49969"},{"Metabolite":"Tramadol-N,N-didesmethyl","1":"4892.390956","2":"4701.797","3":"2908.227676","4":"3427.961809","5":"3537.238962","6":"2957.553535","7":"3366.492167","8":"3157.219568","9":"2154.594847","10":"4679.051016","11":"3371.229274","12":"3669.742657","13":"2304.673105","14":"4507.76658","15":"2880.146236","16":"5018.309944","17":"3152.943723","18":"2944.821449","19":"2886.918986","20":"2342.873491","21":"4602.400796","22":"2524.54561","24":"3593.465432","25":"2706.856421","26":"3993.910296","27":"2229.227794","28":"1985.470326","29":"2060.055152","30":"2094.297998","31":"2591.133352","32":"2251.407762","33":"1812.640489","34":"2001.634932","35":"1901.612326","36":"2343.534983","37":"2568.94803","38":"2064.028525","39":"2213.36316","40":"2345.763822","41":"2526.235617","42":"2112.977919","43":"2029.470515","44":"1939.199644","45":"2023.874577","46":"2116.166093","47":"3156.260231","48":"2922.081731","49":"4196.923835","50":"6065.002557","51":"3827.503016","52":"6124.869419","53":"3728.673297","54":"3341.470289","55":"141863.7895","56":"5890.971375","57":"6584.59167","58":"3629.71439","59":"4792.118239","60":"4828.042607","61":"4799.261471","62":"3696.329548","63":"4987.613282"},{"Metabolite":"trans-3-Indoleacrylic acid","1":"640852.7391","2":"12816964.55","3":"159310.9385","4":"1755632.948","5":"1345185.551","6":"6882619.394","7":"2076177.016","8":"1977140.093","9":"6860989.218","10":"6527019.144","11":"739543.9671","12":"3500784.241","13":"3564947.216","14":"997109.9023","15":"1391704.016","16":"5085337.779","17":"2915732.891","18":"61847321.3","19":"1217661.612","20":"144067.8866","21":"2414567.963","22":"34056679.87","24":"1925553.9","25":"3244183.687","26":"4677914.116","27":"5826779.602","28":"706068.5416","29":"440205.5462","30":"226823.4866","31":"699773.8109","32":"298791.1171","33":"149016.8562","34":"234965.1978","35":"568527.5629","36":"591830.4146","37":"1135635.328","38":"361601.3724","39":"1730226.923","40":"1683010.879","41":"490072.5647","42":"132504.0721","43":"12588280.21","44":"3857940.876","45":"628809.9328","46":"807732.5208","47":"2767490.862","48":"1327500.847","49":"2933309.101","50":"3460901.734","51":"16615505.13","52":"1446667.708","53":"2411729.029","54":"20758427.99","55":"12923186","56":"4089397.389","57":"3906615.919","58":"3534171.763","59":"2609498.262","60":"6002536.427","61":"3128210.532","62":"7151015.8","63":"5763795.098"},{"Metabolite":"Tropinone","1":"47260.13034","2":"10960.91789","3":"74205.68884","4":"15542.27272","5":"15853.14962","6":"13602.57159","7":"16798.09771","8":"65764.18588","9":"13884.78457","10":"24575.25235","11":"15741.49493","12":"42612.67319","13":"10447.15404","14":"17219.29913","15":"24862.04944","16":"44916.08898","17":"18987.08841","18":"602414.6305","19":"23423.18492","20":"5670.747241","21":"47827.93033","22":"5524.534998","24":"9275.100987","25":"4999.645457","26":"50976.6812","27":"10944.3916","28":"57434.15995","29":"103118.762","30":"11902.66785","31":"10210.51426","32":"4023.741203","33":"3872.778746","34":"3806.658699","35":"4081.001485","36":"5698.858237","37":"7175.00134","38":"5165.933152","39":"4213.602311","40":"3959.241741","41":"14508.02642","42":"6179.799793","43":"68747.75213","44":"54968.10667","45":"25590.79626","46":"9281.241133","47":"4712.942377","48":"31088.81622","49":"28547.88111","50":"22106.1952","51":"12119.69964","52":"113294.1499","53":"37974.71266","54":"294579.1013","55":"233351.0027","56":"130934.1095","57":"120868.1603","58":"35904.8734","59":"64411.98776","60":"370958.6373","61":"30296.77775","62":"174087.913","63":"203270.0833"},{"Metabolite":"Valpromide","1":"18369.98477","2":"23558.01214","3":"20612.80945","4":"13167.50302","5":"7656.465474","6":"29122.26715","7":"11754.95867","8":"12330.16978","9":"36359.21356","10":"21397.62031","11":"14810.09691","12":"12183.61819","13":"16319.69707","14":"14324.50207","15":"21752.04646","16":"14327.41402","17":"11931.05356","18":"37767.19203","19":"13138.50485","20":"8531.330859","21":"11672.92877","22":"69706.85561","24":"9317.471573","25":"14228.60667","26":"13117.78128","27":"12750.03722","28":"11552.83757","29":"9995.873648","30":"7559.820743","31":"7746.12609","32":"8343.694727","33":"6141.819008","34":"7143.948043","35":"5263.096431","36":"8344.492076","37":"7730.526521","38":"13237.76173","39":"13636.58775","40":"9987.795172","41":"11206.21747","42":"9814.195248","43":"16769.74986","44":"11736.46935","45":"10438.48766","46":"10521.69302","47":"12416.87149","48":"21869.3516","49":"36786.04633","50":"34247.92647","51":"23868.1354","52":"23896.33869","53":"20492.60654","54":"18465.29273","55":"25236.13075","56":"20943.70338","57":"17358.96577","58":"22858.21056","59":"24557.57804","60":"25485.19065","61":"20089.40014","62":"26743.35765","63":"22238.44871"},{"Metabolite":"Vanillin","1":"232699.5926","2":"78920.39662","3":"104373.7818","4":"102018.9948","5":"222241.2774","6":"132493.7446","7":"111181.8023","8":"156635.9338","9":"140886.2013","10":"152949.813","11":"156820.748","12":"97941.85482","13":"81061.71366","14":"94118.49199","15":"112487.6842","16":"122519.3331","17":"425797.7052","18":"117109.1511","19":"726064.9779","20":"11338.64838","21":"143002.8212","22":"110041.8681","24":"156881.1984","25":"86275.00107","26":"123393.2279","27":"146249.0361","28":"28300.88881","29":"34114.18224","30":"27017.98744","31":"74186.82771","32":"36273.51348","33":"7737.919047","34":"12967.53109","35":"28627.7276","36":"87253.15738","37":"183330.8211","38":"35151.78053","39":"13935.46478","40":"18368.56189","41":"35339.66928","42":"22226.21678","43":"18134.93738","44":"10763.99919","45":"10332.23396","46":"20960.70377","47":"26894.18576","48":"208013.4955","49":"285936.9986","50":"459954.7312","51":"195508.6819","52":"2158516.53","53":"206529.6661","54":"634308.7574","55":"227577.0433","56":"486078.8056","57":"197151.5075","58":"209855.1545","59":"339342.1837","60":"381379.8692","61":"278387.5595","62":"349978.9905","63":"292733.9046"},{"Metabolite":"Xanthurenic acid","1":"241063.4485","2":"796319.272","3":"7231.03271","4":"14783.75766","5":"18614.5444","6":"14836.10422","7":"6779.165528","8":"7220.890468","9":"41603.55236","10":"250951.8696","11":"14163.65893","12":"7277.006252","13":"92790.18052","14":"8288.404195","15":"6920.17729","16":"35814.32473","17":"182629.5132","18":"185141.9702","19":"8249.301331","20":"6370.562032","21":"7010.284394","22":"107694.6051","24":"23578.88615","25":"7229.925105","26":"7053.710772","27":"8438.583516","28":"7559.934321","29":"9146.454443","30":"10305.33822","31":"6647.263846","32":"6436.102129","33":"6502.626519","34":"6619.155564","35":"9525.4025","36":"9185.853382","37":"6612.959545","38":"6500.431108","39":"8549.356148","40":"6448.2209","41":"17841.79559","42":"9556.470907","43":"6821.294597","44":"15471.3511","45":"6258.40931","46":"9047.946238","47":"6965.423774","48":"660974.2439","49":"69450.732","50":"8720.927138","51":"421714.3041","52":"66906.60645","53":"8535.698042","54":"9305.609388","55":"8276.646759","56":"8433.52045","57":"64122.96528","58":"9389.729975","59":"24768.84295","60":"68827.6546","61":"12932.00272","62":"8050.777507","63":"10805.44551"},{"Metabolite":"a-Linolenic acid","1":"88402.09952","2":"34176.43981","3":"24205.75315","4":"28224.16971","5":"328191.2142","6":"23896.97512","7":"8862.937441","8":"9136.157247","9":"106601.07","10":"8269.036053","11":"8006.626005","12":"7457.67772","13":"17720.71096","14":"18428.70624","15":"16888.92098","16":"14796.96931","17":"17407.12786","18":"859055.4984","19":"323710.1349","20":"7960.477731","21":"34012.45939","22":"8721.298232","24":"54996.51967","25":"21869.45078","26":"16489.51918","27":"18877.11671","28":"13298.63632","29":"15036.2608","30":"18972.01523","31":"127739.7624","32":"95660.0527","33":"19115.76559","34":"17077.33342","35":"16538.64055","36":"23569.75063","37":"185050.2071","38":"97754.08854","39":"19589.56177","40":"15678.07482","41":"33551.16918","42":"16071.65489","43":"37354.41507","44":"9989.623639","45":"14424.3888","46":"15450.59939","47":"20497.35384","48":"20066.86074","49":"16965.85356","50":"311963.0958","51":"25470.42352","52":"1130736.147","53":"18166.75943","54":"4528212.302","55":"63881.14889","56":"43497.17502","57":"11949.58953","58":"14332.73323","59":"406919.7271","60":"30196.19383","61":"38531.05587","62":"16784.9849","63":"14078.5271"}],

"Metabolites":[{"Metabolite":"(1R,4aS)-7-(2-Hydroxypropan-2-yl)-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid","Formula":"C20 H26 O4","Molecular Weight":"330.18318","RT [min]":"8.566"},{"Metabolite":"(3aR,4aS,5R,7aS,8S,9aR)-5-Hydroxy-4a,8-dimethyl-3-methyleneoctahydroazuleno[6,5-b]furan-2,6(3H,4H)-dione","Formula":"C15 H20 O4","Molecular Weight":"264.13639","RT [min]":"6.297"},{"Metabolite":"(3aR,8R,8aR,9aR)-8-Hydroxy-8a-methyl-3,5-bis(methylene)decahydronaphtho[2,3-b]furan-2(3H)-one","Formula":"C15 H20 O3","Molecular Weight":"248.14134","RT [min]":"5.019"},{"Metabolite":"(4E)-8-Hydroxy-4-(1-hydroxy-2-propanylidene)-10-oxatricyclo[7.2.1.01,5]dodecane-8-carboxylic acid","Formula":"C15 H22 O5","Molecular Weight":"282.14687","RT [min]":"4.924"},{"Metabolite":"(R)-Equol","Formula":"C15 H14 O3","Molecular Weight":"242.09429","RT [min]":"6.629"},{"Metabolite":"1,2,3,4-Tetramethyl-1,3-cyclopentadiene","Formula":"C9 H14","Molecular Weight":"122.1099","RT [min]":"9.987"},{"Metabolite":"1,3-Divinyl-2-imidazolidinone","Formula":"C7 H10 N2 O","Molecular Weight":"138.07958","RT [min]":"4.845"},{"Metabolite":"1,5-Isoquinolinediol","Formula":"C9 H7 N O2","Molecular Weight":"161.04781","RT [min]":"6.61"},{"Metabolite":"2,3,4,9-Tetrahydro-1H-?-carboline-3-carboxylic acid","Formula":"C12 H12 N2 O2","Molecular Weight":"216.09002","RT [min]":"4.458"},{"Metabolite":"2,3,5,6-Tetramethylpyrazine","Formula":"C8 H12 N2","Molecular Weight":"136.10021","RT [min]":"5.354"},{"Metabolite":"2,4-Dimethylbenzaldehyde","Formula":"C9 H10 O","Molecular Weight":"134.07338","RT [min]":"8.417"},{"Metabolite":"2-Acetamidophenol","Formula":"C8 H9 N O2","Molecular Weight":"151.06352","RT [min]":"4.788"},{"Metabolite":"2-Anisic acid","Formula":"C8 H8 O3","Molecular Weight":"152.04768","RT [min]":"6.882"},{"Metabolite":"2'-Deoxyadenosine","Formula":"C10 H13 N5 O3","Molecular Weight":"251.10195","RT [min]":"2.011"},{"Metabolite":"2'-Deoxyinosine","Formula":"C10 H12 N4 O4","Molecular Weight":"252.08604","RT [min]":"2.63"},{"Metabolite":"2-Hydroxyquinoline","Formula":"C9 H7 N O","Molecular Weight":"145.05294","RT [min]":"7.077"},{"Metabolite":"2-Oxindole","Formula":"C8 H7 N O","Molecular Weight":"133.053","RT [min]":"6.421"},{"Metabolite":"3-(2-Hydroxyethyl)indole","Formula":"C10 H11 N O","Molecular Weight":"161.08424","RT [min]":"7.379"},{"Metabolite":"4-Acetamidobenzoic acid","Formula":"C9 H9 N O3","Molecular Weight":"179.05838","RT [min]":"6.144"},{"Metabolite":"4-Amino-3-hydroxybenzoic acid","Formula":"C7 H7 N O3","Molecular Weight":"153.04282","RT [min]":"3.599"},{"Metabolite":"4-Amino-6-chloro-1,3-benzenedisulfonamide","Formula":"C6 H8 Cl N3 O4 S2","Molecular Weight":"284.96448","RT [min]":"3.124"},{"Metabolite":"4-Aminobenzoic acid","Formula":"C7 H7 N O2","Molecular Weight":"137.04784","RT [min]":"3.562"},{"Metabolite":"4-Coumaric acid","Formula":"C9 H8 O3","Molecular Weight":"164.04756","RT [min]":"7.17"},{"Metabolite":"4-Ethoxy ethylbenzoate","Formula":"C11 H14 O3","Molecular Weight":"194.09439","RT [min]":"8.736"},{"Metabolite":"4-Ethylbenzaldehyde","Formula":"C9 H10 O","Molecular Weight":"134.07332","RT [min]":"3.254"},{"Metabolite":"4-Indolecarbaldehyde","Formula":"C9 H7 N O","Molecular Weight":"145.05297","RT [min]":"7.36"},{"Metabolite":"4-Methoxycinnamic acid","Formula":"C10 H10 O3","Molecular Weight":"178.06314","RT [min]":"4.537"},{"Metabolite":"5-Hydroxyindole-3-acetic acid","Formula":"C10 H9 N O3","Molecular Weight":"191.05849","RT [min]":"4.646"},{"Metabolite":"5-Methoxyindole","Formula":"C9 H9 N O","Molecular Weight":"147.06851","RT [min]":"6.962"},{"Metabolite":"5'-S-Methyl-5'-thioadenosine","Formula":"C11 H15 N5 O3 S","Molecular Weight":"297.0901","RT [min]":"3.724"},{"Metabolite":"6-Hydroxy-5a,9-dimethyl-3-methylene-3a,4,5,5a,6,7,9a,9b-octahydronaphtho[1,2-b]furan-2(3H)-one","Formula":"C15 H20 O3","Molecular Weight":"248.14159","RT [min]":"5.845"},{"Metabolite":"6-Hydroxymelatonin","Formula":"C13 H16 N2 O3","Molecular Weight":"248.1165","RT [min]":"2.246"},{"Metabolite":"6-Hydroxynicotinic acid","Formula":"C6 H5 N O3","Molecular Weight":"139.0271","RT [min]":"2.268"},{"Metabolite":"6-Methylindole","Formula":"C9 H9 N","Molecular Weight":"131.07376","RT [min]":"8.307"},{"Metabolite":"6-Methylquinoline","Formula":"C10 H9 N","Molecular Weight":"143.07365","RT [min]":"4.457"},{"Metabolite":"8-{3-Oxo-2-[(2E)-2-penten-1-yl]-1-cyclopenten-1-yl}octanoic acid","Formula":"C18 H28 O3","Molecular Weight":"292.20382","RT [min]":"8.076"},{"Metabolite":"8-Hydroxyquinoline","Formula":"C9 H7 N O","Molecular Weight":"145.05298","RT [min]":"5.73"},{"Metabolite":"9-Oxo-10(E),12(E)-octadecadienoic acid","Formula":"C18 H30 O3","Molecular Weight":"294.21967","RT [min]":"8.343"},{"Metabolite":"Abietic acid","Formula":"C20 H30 O2","Molecular Weight":"302.22485","RT [min]":"9.988"},{"Metabolite":"Acetophenone","Formula":"C8 H8 O","Molecular Weight":"120.05772","RT [min]":"6.706"},{"Metabolite":"Alizarin","Formula":"C14 H8 O4","Molecular Weight":"240.04217","RT [min]":"7.976"},{"Metabolite":"Biotin","Formula":"C10 H16 N2 O3 S","Molecular Weight":"244.08839","RT [min]":"5.704"},{"Metabolite":"Bis(2-butoxyethyl) ether","Formula":"C12 H26 O3","Molecular Weight":"218.1883","RT [min]":"8.813"},{"Metabolite":"Bis(2-ethylhexyl) amine","Formula":"C16 H35 N","Molecular Weight":"241.27717","RT [min]":"7.834"},{"Metabolite":"Bis(4-ethylbenzylidene)sorbitol","Formula":"C24 H30 O6","Molecular Weight":"414.20467","RT [min]":"8.634"},{"Metabolite":"Bis(methylbenzylidene)sorbitol","Formula":"C22 H26 O6","Molecular Weight":"386.17318","RT [min]":"8.424"},{"Metabolite":"Butyl 4-aminobenzoate","Formula":"C11 H15 N O2","Molecular Weight":"193.11052","RT [min]":"7.855"},{"Metabolite":"Cinnamoylglycine","Formula":"C11 H11 N O3","Molecular Weight":"205.07424","RT [min]":"7.464"},{"Metabolite":"Citral","Formula":"C10 H16 O","Molecular Weight":"152.12026","RT [min]":"8.317"},{"Metabolite":"Coumestrol","Formula":"C15 H8 O5","Molecular Weight":"268.03717","RT [min]":"8.457"},{"Metabolite":"D-(+)-Tryptophan","Formula":"C11 H12 N2 O2","Molecular Weight":"204.09009","RT [min]":"3.5"},{"Metabolite":"Daidzein","Formula":"C15 H10 O4","Molecular Weight":"254.05791","RT [min]":"8.017"},{"Metabolite":"Decarbamoyloxysaxitoxin","Formula":"C9 H16 N6 O2","Molecular Weight":"240.13375","RT [min]":"8.417"},{"Metabolite":"Desthiobiotin","Formula":"C10 H18 N2 O3","Molecular Weight":"214.13207","RT [min]":"6.906"},{"Metabolite":"Diethyleneglycol diacetate","Formula":"C8 H14 O5","Molecular Weight":"190.08429","RT [min]":"7.358"},{"Metabolite":"Diisobutylphthalate","Formula":"C16 H22 O4","Molecular Weight":"278.15183","RT [min]":"9.027"},{"Metabolite":"Dimethyl sebacate","Formula":"C12 H22 O4","Molecular Weight":"230.15174","RT [min]":"8.098"},{"Metabolite":"Docosahexaenoic acid ethyl ester","Formula":"C24 H36 O2","Molecular Weight":"356.27167","RT [min]":"9.18"},{"Metabolite":"Dodecyltrimethylammonium","Formula":"C15 H33 N","Molecular Weight":"227.26141","RT [min]":"7.982"},{"Metabolite":"Ethyl palmitoleate","Formula":"C18 H34 O2","Molecular Weight":"282.25579","RT [min]":"9.344"},{"Metabolite":"Ethyl paraben","Formula":"C9 H10 O3","Molecular Weight":"166.06318","RT [min]":"8.734"},{"Metabolite":"Ferulic acid","Formula":"C10 H10 O4","Molecular Weight":"194.0581","RT [min]":"7.36"},{"Metabolite":"Flavanone","Formula":"C15 H12 O2","Molecular Weight":"224.08367","RT [min]":"7.612"},{"Metabolite":"Glycyl-L-leucine","Formula":"C8 H16 N2 O3","Molecular Weight":"188.11609","RT [min]":"2.091"},{"Metabolite":"Ibuprofen","Formula":"C13 H18 O2","Molecular Weight":"206.13079","RT [min]":"7.283"},{"Metabolite":"Icaritin","Formula":"C21 H20 O6","Molecular Weight":"368.12612","RT [min]":"8.73"},{"Metabolite":"Indole","Formula":"C8 H7 N","Molecular Weight":"117.05825","RT [min]":"7.86"},{"Metabolite":"Isoquinoline","Formula":"C9 H7 N","Molecular Weight":"129.05807","RT [min]":"7.411"},{"Metabolite":"Jasmonic acid","Formula":"C12 H18 O3","Molecular Weight":"210.1255","RT [min]":"6.842"},{"Metabolite":"Kahweol","Formula":"C20 H26 O3","Molecular Weight":"314.18832","RT [min]":"8.487"},{"Metabolite":"Kynurenic acid","Formula":"C10 H7 N O3","Molecular Weight":"189.04277","RT [min]":"6.561"},{"Metabolite":"L-Phenylalanine","Formula":"C9 H11 N O2","Molecular Weight":"165.07917","RT [min]":"2.458"},{"Metabolite":"L-Tyrosine","Formula":"C9 H11 N O3","Molecular Weight":"181.07401","RT [min]":"2.906"},{"Metabolite":"Methocarbamol","Formula":"C11 H15 N O5","Molecular Weight":"241.09525","RT [min]":"7.034"},{"Metabolite":"Methyl indole-3-acetate","Formula":"C11 H11 N O2","Molecular Weight":"189.07912","RT [min]":"7.858"},{"Metabolite":"Methylparaben","Formula":"C8 H8 O3","Molecular Weight":"152.0474","RT [min]":"7.614"},{"Metabolite":"MMAI","Formula":"C11 H15 N O","Molecular Weight":"177.11539","RT [min]":"2.252"},{"Metabolite":"N,N'-Dicyclohexylurea","Formula":"C13 H24 N2 O","Molecular Weight":"224.189","RT [min]":"8.548"},{"Metabolite":"N4-Acetylsulfamethoxazole","Formula":"C12 H13 N3 O4 S","Molecular Weight":"295.06288","RT [min]":"7.385"},{"Metabolite":"N-Acetyl-DL-tryptophan","Formula":"C13 H14 N2 O3","Molecular Weight":"246.10072","RT [min]":"7.196"},{"Metabolite":"N-Acetyl-L-leucine","Formula":"C8 H15 N O3","Molecular Weight":"173.10543","RT [min]":"5.953"},{"Metabolite":"N-Acetylserotonin","Formula":"C12 H14 N2 O2","Molecular Weight":"218.1057","RT [min]":"5.133"},{"Metabolite":"N-Acetyltyramine","Formula":"C10 H13 N O2","Molecular Weight":"179.09471","RT [min]":"5.118"},{"Metabolite":"N-Benzylformamide","Formula":"C8 H9 N O","Molecular Weight":"135.06862","RT [min]":"4.98"},{"Metabolite":"Oxprenolol","Formula":"C15 H23 N O3","Molecular Weight":"265.16818","RT [min]":"3.964"},{"Metabolite":"Oxyphenbutazone","Formula":"C19 H20 N2 O3","Molecular Weight":"324.14757","RT [min]":"8.288"},{"Metabolite":"PEG n5","Formula":"C10 H22 O6","Molecular Weight":"238.14184","RT [min]":"3.779"},{"Metabolite":"PEG n6","Formula":"C12 H26 O7","Molecular Weight":"282.16805","RT [min]":"4.508"},{"Metabolite":"PEG n7","Formula":"C14 H30 O8","Molecular Weight":"326.19434","RT [min]":"5.138"},{"Metabolite":"PEG n8","Formula":"C16 H34 O9","Molecular Weight":"370.22064","RT [min]":"5.679"},{"Metabolite":"Phenacetin","Formula":"C10 H13 N O2","Molecular Weight":"179.09475","RT [min]":"8.174"},{"Metabolite":"Pilocarpine","Formula":"C11 H16 N2 O2","Molecular Weight":"208.12128","RT [min]":"3.585"},{"Metabolite":"Piperonylonitrile","Formula":"C8 H5 N O2","Molecular Weight":"147.03234","RT [min]":"5.498"},{"Metabolite":"Resorcinol monoacetate","Formula":"C8 H8 O3","Molecular Weight":"152.04748","RT [min]":"4.225"},{"Metabolite":"Sulfadiazine","Formula":"C10 H10 N4 O2 S","Molecular Weight":"250.05247","RT [min]":"3.956"},{"Metabolite":"Sulfamethoxazole","Formula":"C10 H11 N3 O3 S","Molecular Weight":"253.05213","RT [min]":"6.222"},{"Metabolite":"Thymidine","Formula":"C10 H14 N2 O5","Molecular Weight":"242.09062","RT [min]":"2.979"},{"Metabolite":"Thymine","Formula":"C5 H6 N2 O2","Molecular Weight":"126.04322","RT [min]":"2.328"},{"Metabolite":"Tolycaine","Formula":"C15 H22 N2 O3","Molecular Weight":"278.16334","RT [min]":"4.693"},{"Metabolite":"Tramadol-N,N-didesmethyl","Formula":"C14 H21 N O2","Molecular Weight":"235.15725","RT [min]":"8.072"},{"Metabolite":"trans-3-Indoleacrylic acid","Formula":"C11 H9 N O2","Molecular Weight":"187.06345","RT [min]":"3.504"},{"Metabolite":"Tropinone","Formula":"C8 H13 N O","Molecular Weight":"139.09992","RT [min]":"7.265"},{"Metabolite":"Valpromide","Formula":"C8 H17 N O","Molecular Weight":"143.13128","RT [min]":"8.243"},{"Metabolite":"Vanillin","Formula":"C8 H8 O3","Molecular Weight":"152.04757","RT [min]":"6.293"},{"Metabolite":"Xanthurenic acid","Formula":"C10 H7 N O4","Molecular Weight":"205.03781","RT [min]":"6.688"},{"Metabolite":"a-Linolenic acid","Formula":"C18 H30 O2","Molecular Weight":"278.2245","RT [min]":"9.748"}]
}

}