{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002491","ANALYSIS_ID":"AN004065","VERSION":"1","CREATED_ON":"February 22, 2023, 12:50 pm"},

"PROJECT":{"PROJECT_TITLE":"Tryptophan metabolites that circulate at significant levels in vivo are not subject to an autoregulatory feedback loop between the AHR and CYP1A1.","PROJECT_TYPE":"MS quantitative study","PROJECT_SUMMARY":"We establish that six tryptophan metabolites are essentially not CYP1A1 substrates and the level of these metabolite in mouse serum are not affected by a lack of CYP1A1 or any other Aryl hydrocarbon Receptor (AHR) dependent metabolic pathway expression in vivo. These results establish that tryptophan metabolites that circulate at significant levels in vivo are not subject to an autoregulatory feedback loop between the AHR and CYP1A1.","INSTITUTE":"The Pennsylvania State University","LAST_NAME":"Dong","FIRST_NAME":"Fancong","ADDRESS":"309 Life Sciences Building, State college, PA, 16802, USA","EMAIL":"fxd93@psu.edu","PHONE":"8148651415"},

"STUDY":{"STUDY_TITLE":"Six tryptophan metabolites in mouse serum","STUDY_SUMMARY":"We establish that six tryptophan metabolites are essentially not CYP1A1 substrates and the level of these metabolite in mouse serum are not affected by a lack of CYP1A1 or any other Aryl hydrocarbon Receptor (AHR) dependent metabolic pathway expression in vivo. These results establish that tryptophan metabolites that circulate at significant levels in vivo are not subject to an autoregulatory feedback loop between the AHR and CYP1A1.","INSTITUTE":"Pennsylvania State University","LAST_NAME":"Dong","FIRST_NAME":"Fancong","ADDRESS":"309 Life Sciences Building, University Park, PA 16802","EMAIL":"fxd93@psu.edu","PHONE":"8148651415"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1_SERUM_HETS1",
"Factors":{"Genotype":"AHR+/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_HETS1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_HETS2",
"Factors":{"Genotype":"AHR+/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_HETS2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_HETS3",
"Factors":{"Genotype":"AHR+/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_HETS3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_HETS4",
"Factors":{"Genotype":"AHR+/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_HETS4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_HETS5",
"Factors":{"Genotype":"AHR+/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_HETS5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_HETS6",
"Factors":{"Genotype":"AHR+/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_HETS6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_KO1",
"Factors":{"Genotype":"AHR-/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_KO1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_KO2",
"Factors":{"Genotype":"AHR-/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_KO2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_KO3",
"Factors":{"Genotype":"AHR-/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_KO3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_KO4",
"Factors":{"Genotype":"AHR-/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_KO4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_KO5",
"Factors":{"Genotype":"AHR-/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_KO5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_KO6",
"Factors":{"Genotype":"AHR-/-"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_KO6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT1",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT2",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT3",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT4",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT5",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT6",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT7",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT7.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT8",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT8.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT9",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT9.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT10",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT11",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT11.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_SERUM_WT12",
"Factors":{"Genotype":"AHR+/+"},
"Additional sample data":{"Treatment":"chow diet","RAW_FILE_NAME":"1_SERUM_WT12.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD1",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD2",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD3",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD4",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD5",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD6",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD7",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD7.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD8",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD8.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD9",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD9.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"1_STD10",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"1_STD10.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_C1",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_SERUM_C1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_C2",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_SERUM_C2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_C3",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_SERUM_C3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_C4",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_SERUM_C4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_C5",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_SERUM_C5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_C6",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_SERUM_C6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_PCB1",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"PCB","RAW_FILE_NAME":"2_SERUM_PCB1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_PCB2",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"PCB","RAW_FILE_NAME":"2_SERUM_PCB2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_PCB3",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"PCB","RAW_FILE_NAME":"2_SERUM_PCB3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_PCB4",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"PCB","RAW_FILE_NAME":"2_SERUM_PCB4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_PCB5",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"PCB","RAW_FILE_NAME":"2_SERUM_PCB5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_SERUM_PCB6",
"Factors":{"Genotype":"wild type"},
"Additional sample data":{"Treatment":"PCB","RAW_FILE_NAME":"2_SERUM_PCB6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD1",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD1.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD2",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD2.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD3",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD3.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD4",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD4.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD5",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD5.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD6",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD6.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD7",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD7.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD8",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD8.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD9",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD9.mzML"}
},
{
"Subject ID":"-",
"Sample ID":"2_STD10",
"Factors":{"Genotype":"-"},
"Additional sample data":{"Treatment":"-","RAW_FILE_NAME":"2_STD10.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Serum samples from mice were collected and stored at -80°C.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Thawed on ice, serum sample was mixed with 4 volume extraction solvent of ice-cold methanol containing indole-3-acetic acid-d4 and kynurenic acid-d5. Mixture was vortexed and incubated at −20 °C for 30 min. Following centrifugation at 12,000 × g for 15 min at 4℃, supernatant was collected and subsequently evaporated to dryness (Thermo Scientific, Waltham, MA) and dissolved in 10% acetonitrile containing 1 µM chlorpropamide. After centrifugation at 12,000 × g for 15 min at 4℃, supernatants were transferred to autosampler vials for LC-MS analysis."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"C57BL6/J mice were obtained from Jackson Laboratory (Bar Harbor, ME), bred in-house and maintained on a chow diet. Ahr+/-, and Ahr-/- mice were kindly provided by Dr. Christopher Bradfield (University of Wisconsin-Madison) and bred using female Ahr+/- and male Ahr-/- mice. Mice were housed on corncob bedding in a temperature- and light-controlled facility and given access to food and water ad libitum. Mice were also maintained in a pathogen-free facility and treated humanely with approval from the Animal Care and Use Committee of the Pennsylvania State University and methods were carried out in accordance with approved guidelines. Mice in the 8-10-week-old range were utilized in all experiments. Serum samples obtained from mice exposed to PCB126 for 5 days was previously described. Briefly, mice were fed dough pills once every 24 h, each pill contained 24 µg/kg PCB126 for five days and mice were sacrificed on day 6."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu 20AD","COLUMN_NAME":"Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um)","SOLVENT_A":"100% water; 0.1% formic acid","SOLVENT_B":"100% acetonitrile; 0.1% formic acid","FLOW_GRADIENT":"The initial condition were 97% A and 3 % B, increasing to 45% B at 10 min, 75% B at 12 min where it was held at 75% B until 17.5 min before returning to the initial conditions.","FLOW_RATE":"0.25 mL/min","COLUMN_TEMPERATURE":"55"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600 TripleTOF","INSTRUMENT_TYPE":"Triple TOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Peakview was used for data analysis."},

"MS_METABOLITE_DATA":{
"Units":"uM",

"Data":[{"Metabolite":"indole-3-acetic acid","1_SERUM_HETS1":"1.960455514","1_SERUM_HETS2":"1.974897872","1_SERUM_HETS3":"1.518767404","1_SERUM_HETS4":"1.307562929","1_SERUM_HETS5":"1.856956662","1_SERUM_HETS6":"1.394609033","1_SERUM_KO1":"1.819567365","1_SERUM_KO2":"3.377433617","1_SERUM_KO3":"2.432324848","1_SERUM_KO4":"1.256358826","1_SERUM_KO5":"2.120285681","1_SERUM_KO6":"1.4337051","1_SERUM_WT1":"0.728752789","1_SERUM_WT2":"0.587592435","1_SERUM_WT3":"0.262305577","1_SERUM_WT4":"1.247978711","1_SERUM_WT5":"1.307703414","1_SERUM_WT6":"0.772459002","1_SERUM_WT7":"0.960921935","1_SERUM_WT8":"0.81930508","1_SERUM_WT9":"0.616515286","1_SERUM_WT10":"0.461825736","1_SERUM_WT11":"0.437711931","1_SERUM_WT12":"0.773665704","2_SERUM_C1":"0.276807571","2_SERUM_C2":"0.605961507","2_SERUM_C3":"0.149071024","2_SERUM_C4":"0.28343965","2_SERUM_C5":"0.545115104","2_SERUM_C6":"0.500846648","2_SERUM_PCB1":"0.684193848","2_SERUM_PCB2":"0.837032681","2_SERUM_PCB3":"0.768244282","2_SERUM_PCB4":"0.387889582","2_SERUM_PCB5":"0.401684743","2_SERUM_PCB6":"0.639057516"},{"Metabolite":"kynurenic 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"Metabolites":[{"Metabolite":"indole-3-acetic acid","quantified m/z":"130.06","Pubchem ID":"802"},{"Metabolite":"kynurenic acid","quantified m/z":"144.03","Pubchem ID":"3845"},{"Metabolite":"indole-3-carboxaldehyde","quantified m/z":"91.05","Pubchem ID":"10256"},{"Metabolite":"indole-3-propionic acid","quantified m/z":"130.09","Pubchem ID":"3744"},{"Metabolite":"indole-3-lactic acid","quantified m/z":"130.09","Pubchem ID":"92904"},{"Metabolite":"kynurenine","quantified m/z":"146.05","Pubchem ID":"846"}]
}

}