{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000880","ANALYSIS_ID":"AN001433","VERSION":"1","CREATED_ON":"October 25, 2017, 9:55 am"},

"PROJECT":{"PROJECT_TITLE":"Diet, genetics and gut microbiome drive dynamic changes in plasma metabolites [cecal]","PROJECT_TYPE":"Metabolite profiling of stool and cecal contents in mice of different genotypes, vendors, diets, and antibiotic treatments.","PROJECT_SUMMARY":"Diet, genetics and the gut microbiome are determinants of metabolic status, in part through production of metabolites by gut microbiota. To understand mechanisms linking these factors, we performed LC-MS-based metabolomic analysis of cecal contents and plasma from C57BL/6J, 129S1/SvImJ and 129S6/SvEvTac mice on chow, high-fat diet (HFD), and HFD-treated with vancomycin or metronidazole. Prediction of the functional metagenome of gut bacteria by PICRUSt analysis of 16S sequences revealed dramatic differences in microbial metabolism. Cecal and plasma metabolites showed multifold differences reflecting the combined and integrated effects of diet, antibiotics, host background, and the gut microbiome. Eighteen plasma metabolites correlated positively or negatively with host insulin resistance across strains and diets. Over 1,000 as-of-yet-unidentified metabolite peaks were also highly regulated by diet, antibiotics and genetic background. Thus diet, host genetics and gut microbiota interact to create unique responses in plasma metabolites, which can contribute to regulation of metabolism and insulin resistance. ","INSTITUTE":"Broad Institute of MIT and Harvard","DEPARTMENT":"Metabolomics Platform","LAST_NAME":"Avila","FIRST_NAME":"Julian","ADDRESS":"415 Main Street, Rm 7175, Cambridge, MA, 02142, USA","EMAIL":"jravilap@broadinstitute.org","PHONE":"6177148264","CONTRIBUTORS":"Shiho Fujisaka, Julian Avila-Pacheco, Marion Soto, Aleksandar Kostic, Jonathan M. Dreyfuss, Hui Pan, Siegfried Ussar, Emrah Altindis, Ning Li, Lynn Bry, Clary B. Clish, and C. Ronald Kahn"},

"STUDY":{"STUDY_TITLE":"Diet, genetics and gut microbiome drive dynamic changes in plasma metabolites [cecal]","STUDY_TYPE":"Cecal data","STUDY_SUMMARY":"C57BL/6J mice (B6) and 129S1 mice (129J) were purchased from Jackson Laboratory (Bar Harbor, ME) and 129S6 mice (129T) were purchased from Taconic Farms (Germantown, NY). Mice were maintained on normal chow containing 22% calories from fat, 23% from protein and 55% from carbohydrates (Mouse Diet 9F 5020, PharmaServ, Framingham, MA) or a high fat diet (Open Source Diet, D12492, Research Diets, New Brunswick, NJ) containing 60% calories from fat, 20% from protein and 20% from carbohydrates. For antibiotic treatment, 6-week old mice were treated with either placebo, vancomycin (1g/L) or metronidazole (1g/L) (Sigma-Aldrich, St. Louis, MO) in drinking water then started on HFD from age 7 to 11 weeks. The mice were fasted for 2 hours and anesthetized with isoflurane before collecting cecum and plasma.","INSTITUTE":"Broad Institute of MIT and Harvard","LAST_NAME":"Avila","FIRST_NAME":"Julian","ADDRESS":"415 Main Street","EMAIL":"jravilap@broadinstitute.org","PHONE":"617-714-8264","NUM_GROUPS":"12","TOTAL_SUBJECTS":"47"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"1_Chow_B6Jax",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"1","Analysis order":"0010"}
},
{
"Subject ID":"-",
"Sample ID":"2_Chow_B6Jax",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"2","Analysis order":"0031"}
},
{
"Subject ID":"-",
"Sample ID":"3_Chow_B6Jax",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"3","Analysis order":"0005"}
},
{
"Subject ID":"-",
"Sample ID":"5_HFD Placebo_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"5","Analysis order":"0043"}
},
{
"Subject ID":"-",
"Sample ID":"6_HFD Placebo_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"6","Analysis order":"0024"}
},
{
"Subject ID":"-",
"Sample ID":"7_HFD Placebo_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"7","Analysis order":"0035"}
},
{
"Subject ID":"-",
"Sample ID":"8_HFD Placebo_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"8","Analysis order":"0018"}
},
{
"Subject ID":"-",
"Sample ID":"9_HFD Vancomycin_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"9","Analysis order":"0033"}
},
{
"Subject ID":"-",
"Sample ID":"10_HFD Vancomycin_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"10","Analysis order":"0002"}
},
{
"Subject ID":"-",
"Sample ID":"11_HFD Vancomycin_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"11","Analysis order":"0009"}
},
{
"Subject ID":"-",
"Sample ID":"12_HFD Vancomycin_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"12","Analysis order":"0001"}
},
{
"Subject ID":"-",
"Sample ID":"13_HFD Metronidazole_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"13","Analysis order":"0017"}
},
{
"Subject ID":"-",
"Sample ID":"14_HFD Metronidazole_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"14","Analysis order":"0037"}
},
{
"Subject ID":"-",
"Sample ID":"15_HFD Metronidazole_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"15","Analysis order":"0020"}
},
{
"Subject ID":"-",
"Sample ID":"16_HFD Metronidazole_B6Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"B6Jax"},
"Additional sample data":{"Sample #":"16","Analysis order":"0013"}
},
{
"Subject ID":"-",
"Sample ID":"17_Chow_129Tac",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Tac"},
"Additional sample data":{"Sample #":"17","Analysis order":"0040"}
},
{
"Subject ID":"-",
"Sample ID":"18_Chow_129Tac",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Tac"},
"Additional sample data":{"Sample #":"18","Analysis order":"0038"}
},
{
"Subject ID":"-",
"Sample ID":"19_Chow_129Tac",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Tac"},
"Additional sample data":{"Sample #":"19","Analysis order":"0028"}
},
{
"Subject ID":"-",
"Sample ID":"20_Chow_129Tac",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Tac"},
"Additional sample data":{"Sample #":"20","Analysis order":"0027"}
},
{
"Subject ID":"-",
"Sample ID":"21_HFD Placebo_129Tac",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Tac"},
"Additional sample data":{"Sample #":"21","Analysis order":"0032"}
},
{
"Subject ID":"-",
"Sample ID":"22_HFD Placebo_129Tac",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Tac"},
"Additional sample data":{"Sample #":"22","Analysis order":"0036"}
},
{
"Subject ID":"-",
"Sample ID":"23_HFD Placebo_129Tac",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Tac"},
"Additional sample data":{"Sample #":"23","Analysis order":"0019"}
},
{
"Subject ID":"-",
"Sample ID":"24_HFD Placebo_129Tac",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Tac"},
"Additional sample data":{"Sample #":"24","Analysis order":"0029"}
},
{
"Subject ID":"-",
"Sample ID":"25_HFD Vancomycin_129Tac",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Tac"},
"Additional sample data":{"Sample #":"25","Analysis order":"0030"}
},
{
"Subject ID":"-",
"Sample ID":"26_HFD Vancomycin_129Tac",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Tac"},
"Additional sample data":{"Sample #":"26","Analysis order":"0047"}
},
{
"Subject ID":"-",
"Sample ID":"27_HFD Vancomycin_129Tac",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Tac"},
"Additional sample data":{"Sample #":"27","Analysis order":"0015"}
},
{
"Subject ID":"-",
"Sample ID":"28_HFD Vancomycin_129Tac",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Tac"},
"Additional sample data":{"Sample #":"28","Analysis order":"0026"}
},
{
"Subject ID":"-",
"Sample ID":"29_HFD Metronidazole_129Tac",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Tac"},
"Additional sample data":{"Sample #":"29","Analysis order":"0034"}
},
{
"Subject ID":"-",
"Sample ID":"30_HFD Metronidazole_129Tac",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Tac"},
"Additional sample data":{"Sample #":"30","Analysis order":"0041"}
},
{
"Subject ID":"-",
"Sample ID":"31_HFD Metronidazole_129Tac",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Tac"},
"Additional sample data":{"Sample #":"31","Analysis order":"0045"}
},
{
"Subject ID":"-",
"Sample ID":"32_HFD Metronidazole_129Tac",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Tac"},
"Additional sample data":{"Sample #":"32","Analysis order":"0046"}
},
{
"Subject ID":"-",
"Sample ID":"33_Chow_129Jax",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Jax"},
"Additional sample data":{"Sample #":"33","Analysis order":"0007"}
},
{
"Subject ID":"-",
"Sample ID":"34_Chow_129Jax",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Jax"},
"Additional sample data":{"Sample #":"34","Analysis order":"0039"}
},
{
"Subject ID":"-",
"Sample ID":"35_Chow_129Jax",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Jax"},
"Additional sample data":{"Sample #":"35","Analysis order":"0042"}
},
{
"Subject ID":"-",
"Sample ID":"36_Chow_129Jax",
"Factors":{"Diet":"Chow","Treatment":"none","Strain":"129Jax"},
"Additional sample data":{"Sample #":"36","Analysis order":"0016"}
},
{
"Subject ID":"-",
"Sample ID":"37_HFD Placebo_129Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Jax"},
"Additional sample data":{"Sample #":"37","Analysis order":"0022"}
},
{
"Subject ID":"-",
"Sample ID":"38_HFD Placebo_129Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Jax"},
"Additional sample data":{"Sample #":"38","Analysis order":"0012"}
},
{
"Subject ID":"-",
"Sample ID":"39_HFD Placebo_129Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Jax"},
"Additional sample data":{"Sample #":"39","Analysis order":"0006"}
},
{
"Subject ID":"-",
"Sample ID":"40_HFD Placebo_129Jax",
"Factors":{"Diet":"HFD","Treatment":"placebo","Strain":"129Jax"},
"Additional sample data":{"Sample #":"40","Analysis order":"0004"}
},
{
"Subject ID":"-",
"Sample ID":"41_HFD Vancomycin_129Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Jax"},
"Additional sample data":{"Sample #":"41","Analysis order":"0025"}
},
{
"Subject ID":"-",
"Sample ID":"42_HFD Vancomycin_129Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Jax"},
"Additional sample data":{"Sample #":"42","Analysis order":"0044"}
},
{
"Subject ID":"-",
"Sample ID":"43_HFD Vancomycin_129Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Jax"},
"Additional sample data":{"Sample #":"43","Analysis order":"0023"}
},
{
"Subject ID":"-",
"Sample ID":"44_HFD Vancomycin_129Jax",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Strain":"129Jax"},
"Additional sample data":{"Sample #":"44","Analysis order":"0003"}
},
{
"Subject ID":"-",
"Sample ID":"45_HFD Metronidazole_129Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Jax"},
"Additional sample data":{"Sample #":"45","Analysis order":"0014"}
},
{
"Subject ID":"-",
"Sample ID":"46_HFD Metronidazole_129Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Jax"},
"Additional sample data":{"Sample #":"46","Analysis order":"0011"}
},
{
"Subject ID":"-",
"Sample ID":"47_HFD Metronidazole_129Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Jax"},
"Additional sample data":{"Sample #":"47","Analysis order":"0008"}
},
{
"Subject ID":"-",
"Sample ID":"48_HFD Metronidazole_129Jax",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Strain":"129Jax"},
"Additional sample data":{"Sample #":"48","Analysis order":"0021"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"The mice were fasted for 2 hours and anesthetized with isoflurane before collecting cecum and plasma.","BLOOD_SERUM_OR_PLASMA":"Plasma"},

"TREATMENT":{"TREATMENT_SUMMARY":"Mice were maintained on normal chow containing 22% calories from fat, 23% from protein and 55% from carbohydrates (Mouse Diet 9F 5020, PharmaServ, Framingham, MA) or a high fat diet (Open Source Diet, D12492, Research Diets, New Brunswick, NJ) containing 60% calories from fat, 20% from protein and 20% from carbohydrates. For antibiotic treatment, 6-week old mice were treated with either placebo, vancomycin (1g/L) or metronidazole (1g/L) (Sigma-Aldrich, St. Louis, MO) in drinking water then started on HFD from age 7 to 11 weeks."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Cecal contents were homogenized in 10 volumes (weight:volume) of H2O using a bead beater HILIC-posLC-MS samples were prepared from cecal homogenates (10 μL) via protein precipitation with the addition of nine volumes of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic acid containing stable isotope-labeled internal standards (valine-d8, Isotec; and phenylalanine-d8, Cambridge Isotope Laboratories; Andover, MA). The samples are centrifuged (10 min, 9,000 x g, 4°C), and the supernatants were injected onto column. HILIC-neg:Cecal homogenates (30μL) were extracted using 120 μL of 80% methanol (VWR) containing 0.05 ng/μL inosine-15N4, 0.05 ng/μL thymine-d4, and 0.1 ng/μL glycocholate-d4 as internal standards (Cambridge Isotope Laboratories). The samples were centrifuged (10 min, 9,000 x g, 4ºC) and the supernatants (10 μL) were injected onto column.. C18-neg: Cecal homogenates (30 μL) were extracted using 90 μL of methanol containing PGE2-d4 as an internal standard (Cayman Chemical Co.; Ann Arbor, MI) and centrifuged (10 min, 9,000 x g, 4°C). The supernatants (10 μL) were injected onto column.. C8-pos: Lipids were extracted from cecal homogenates (10 μL) using 190 μL of isopropanol containing 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal standard (Avanti Polar Lipids; Alabaster, AL). After centrifugation (10 min, 9,000 x g, ambient temperature), supernatants (10 μL) were injected directly onto column."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Shimadzu Nexera X2","COLUMN_NAME":"Waters Atlantis HILIC (150 x 2 mm)","SOLVENT_A":"10 mM ammonium formate and 0.1% formic acid in water","SOLVENT_B":"acetonitrile with 0.1% formic acid"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","OPERATOR_NAME":"Justin Scott"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_RESULTS_FILE":"ST000880_AN001433_Results.txt UNITS:Peak area"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"phenylalanine-d8 (Internal Standard)","1_Chow_B6Jax":"230534990","2_Chow_B6Jax":"210687614","3_Chow_B6Jax":"229192176","5_HFD Placebo_B6Jax":"249601119","6_HFD Placebo_B6Jax":"219377690","7_HFD Placebo_B6Jax":"235183426","8_HFD Placebo_B6Jax":"192161648","9_HFD Vancomycin_B6Jax":"196653600","10_HFD Vancomycin_B6Jax":"175277499","11_HFD Vancomycin_B6Jax":"179684292","12_HFD Vancomycin_B6Jax":"203910114","13_HFD Metronidazole_B6Jax":"191228145","14_HFD Metronidazole_B6Jax":"183813526","15_HFD Metronidazole_B6Jax":"173474774","16_HFD Metronidazole_B6Jax":"174771284","17_Chow_129Tac":"205697616","18_Chow_129Tac":"214841173","19_Chow_129Tac":"206801352","20_Chow_129Tac":"218036478","21_HFD Placebo_129Tac":"196699158","22_HFD Placebo_129Tac":"215276096","23_HFD Placebo_129Tac":"199672812","24_HFD Placebo_129Tac":"250149087","25_HFD Vancomycin_129Tac":"189485719","26_HFD Vancomycin_129Tac":"174043201","27_HFD Vancomycin_129Tac":"189779370","28_HFD Vancomycin_129Tac":"183138759","29_HFD Metronidazole_129Tac":"184571589","30_HFD Metronidazole_129Tac":"179004698","31_HFD Metronidazole_129Tac":"178140233","32_HFD Metronidazole_129Tac":"180639016","33_Chow_129Jax":"220666368","34_Chow_129Jax":"229211538","35_Chow_129Jax":"217391957","36_Chow_129Jax":"214671350","37_HFD Placebo_129Jax":"233331865","38_HFD Placebo_129Jax":"236415155","39_HFD Placebo_129Jax":"229389279","40_HFD Placebo_129Jax":"245099262","41_HFD Vancomycin_129Jax":"179469657","42_HFD Vancomycin_129Jax":"212108897","43_HFD Vancomycin_129Jax":"206235400","44_HFD Vancomycin_129Jax":"176032266","45_HFD Metronidazole_129Jax":"198471814","46_HFD Metronidazole_129Jax":"220454898","47_HFD Metronidazole_129Jax":"233244110","48_HFD Metronidazole_129Jax":"191877158"},{"Metabolite":"valine-d8 (Internal Standard)","1_Chow_B6Jax":"151320148","2_Chow_B6Jax":"165123556","3_Chow_B6Jax":"151989853","5_HFD Placebo_B6Jax":"174642283","6_HFD Placebo_B6Jax":"165365365","7_HFD Placebo_B6Jax":"173975897","8_HFD Placebo_B6Jax":"152380495","9_HFD Vancomycin_B6Jax":"169146221","10_HFD Vancomycin_B6Jax":"171238067","11_HFD Vancomycin_B6Jax":"161949427","12_HFD Vancomycin_B6Jax":"172376856","13_HFD Metronidazole_B6Jax":"159689944","14_HFD Metronidazole_B6Jax":"155914329","15_HFD Metronidazole_B6Jax":"149963248","16_HFD Metronidazole_B6Jax":"155566018","17_Chow_129Tac":"158836405","18_Chow_129Tac":"164626370","19_Chow_129Tac":"150939341","20_Chow_129Tac":"160672403","21_HFD Placebo_129Tac":"161747166","22_HFD Placebo_129Tac":"169504187","23_HFD Placebo_129Tac":"156400160","24_HFD Placebo_129Tac":"171995313","25_HFD Vancomycin_129Tac":"167324257","26_HFD Vancomycin_129Tac":"165232715","27_HFD Vancomycin_129Tac":"159618662","28_HFD Vancomycin_129Tac":"156452058","29_HFD Metronidazole_129Tac":"164995150","30_HFD Metronidazole_129Tac":"167891965","31_HFD Metronidazole_129Tac":"149568214","32_HFD Metronidazole_129Tac":"160203839","33_Chow_129Jax":"152477740","34_Chow_129Jax":"165423317","35_Chow_129Jax":"156878137","36_Chow_129Jax":"154018430","37_HFD Placebo_129Jax":"160303679","38_HFD Placebo_129Jax":"162327667","39_HFD Placebo_129Jax":"156699791","40_HFD Placebo_129Jax":"160948445","41_HFD Vancomycin_129Jax":"160569880","42_HFD Vancomycin_129Jax":"182981406","43_HFD Vancomycin_129Jax":"174265980","44_HFD Vancomycin_129Jax":"167035074","45_HFD Metronidazole_129Jax":"140680863","46_HFD Metronidazole_129Jax":"148911460","47_HFD Metronidazole_129Jax":"161953904","48_HFD Metronidazole_129Jax":"145920413"},{"Metabolite":"1-Methylhistamine","1_Chow_B6Jax":"17992975","2_Chow_B6Jax":"13616304","3_Chow_B6Jax":"25633130","5_HFD Placebo_B6Jax":"7811968","6_HFD Placebo_B6Jax":"1651539","7_HFD Placebo_B6Jax":"3286705","8_HFD Placebo_B6Jax":"5024459","9_HFD Vancomycin_B6Jax":"4517968","10_HFD Vancomycin_B6Jax":"6148921","11_HFD Vancomycin_B6Jax":"9259093","12_HFD 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ID":"103182080","KEGG ID":"C00135","HMDB ID":"HMDB00177","Study Metabolite Name":"histidine","Study ID":"m433"},{"Metabolite":"Homocysteine","retention time":"7.04","quantified m/z":"136.0425","PubChem ID":"103158368","KEGG ID":"C05330","HMDB ID":"HMDB00742","Study Metabolite Name":"homocysteine","Study ID":"m434"},{"Metabolite":"cis-3-hydroxyproline","retention time":"7.9","quantified m/z":"132.0655","PubChem ID":"100079","KEGG ID":"C01157","HMDB ID":"HMDB00725","Study Metabolite Name":"hydroxyproline","Study ID":"m435"},{"Metabolite":"Isoleucine","retention time":"7.09","quantified m/z":"132.1019","PubChem ID":"103059667","KEGG ID":"C00407","HMDB ID":"HMDB00172","Study Metabolite Name":"isoleucine","Study ID":"m436"},{"Metabolite":"Kynurenic acid","retention time":"5.25","quantified m/z":"190.0497","PubChem ID":"103235692","KEGG ID":"C01717","HMDB ID":"HMDB00715","Study Metabolite Name":"kynurenic acid","Study ID":"m437"},{"Metabolite":"Leucine","retention time":"6.96","quantified m/z":"132.1019","PubChem ID":"103023962","KEGG ID":"C00123","HMDB ID":"HMDB00687","Study Metabolite Name":"leucine","Study ID":"m438"},{"Metabolite":"Lysine","retention time":"9.4","quantified m/z":"147.1127","PubChem ID":"103059399","KEGG ID":"C00047","HMDB ID":"HMDB00182","Study Metabolite Name":"lysine","Study ID":"m439"},{"Metabolite":"Methionine","retention time":"7.04","quantified m/z":"150.0582","PubChem ID":"103059281","KEGG ID":"C00073","HMDB ID":"HMDB00696","Study Metabolite Name":"methionine","Study ID":"m440"},{"Metabolite":"Methionine sulfoxide","retention time":"8.65","quantified m/z":"166.0531","PubChem ID":"103115155","KEGG ID":"","HMDB ID":"HMDB02005","Study Metabolite Name":"methionine sulfoxide","Study ID":"m441"},{"Metabolite":"methyl-hydroxyisobutyric acid","retention time":"1.89","quantified m/z":"119.0703","PubChem ID":"10298667","KEGG ID":"C06001","HMDB ID":"HMDB00023","Study Metabolite Name":"methyl-hydroxyisobutyric acid","Study ID":"m442"},{"Metabolite":"5'-Methylthioadenosine","retention time":"4.28","quantified m/z":"298.0965","PubChem ID":"10298231","KEGG ID":"C00170","HMDB ID":"HMDB01173","Study Metabolite Name":"methylthioadenosine","Study ID":"m443"},{"Metabolite":"Ureidopropionic acid","retention time":"4.16","quantified m/z":"133.0608","PubChem ID":"103187286","KEGG ID":"C02642","HMDB ID":"HMDB00026","Study Metabolite Name":"N-carbamoyl-beta-alanine","Study ID":"m444"},{"Metabolite":"Niacinamide","retention time":"3.79","quantified m/z":"123.0555","PubChem ID":"103326781","KEGG ID":"C00153","HMDB ID":"HMDB01406","Study Metabolite Name":"niacinamide","Study ID":"m445"},{"Metabolite":"NMMA","retention time":"9.37","quantified m/z":"189.1344","PubChem ID":"","KEGG ID":"","HMDB ID":"HMDB29416","Study Metabolite Name":"NMMA","Study ID":"m446"},{"Metabolite":"Ornithine","retention time":"9.38","quantified m/z":"133.0971","PubChem ID":"103241659","KEGG ID":"C00077","HMDB ID":"HMDB00214","Study Metabolite Name":"ornithine","Study ID":"m447"},{"Metabolite":"Phenylalanine","retention time":"6.72","quantified m/z":"166.0861","PubChem ID":"103059644","KEGG ID":"C00079","HMDB ID":"HMDB00159","Study Metabolite Name":"phenylalanine","Study ID":"m448"},{"Metabolite":"Choline phosphate","retention time":"11.28","quantified m/z":"184.0732","PubChem ID":"103059512","KEGG ID":"C00588","HMDB ID":"HMDB01565","Study Metabolite Name":"phosphocholine","Study ID":"m449"},{"Metabolite":"Pipecolic acid","retention time":"7.97","quantified m/z":"130.0863","PubChem ID":"10298256","KEGG ID":"C00408","HMDB ID":"HMDB00716","Study Metabolite Name":"pipecolic acid","Study ID":"m450"},{"Metabolite":"Proline","retention time":"8.1","quantified m/z":"116.0708","PubChem ID":"10248984","KEGG ID":"C00148","HMDB ID":"HMDB00162","Study Metabolite Name":"proline","Study ID":"m451"},{"Metabolite":"Putrescine","retention time":"9.34","quantified m/z":"89.1079","PubChem ID":"102851508","KEGG ID":"C00134","HMDB ID":"HMDB01414","Study Metabolite Name":"putrescine","Study ID":"m452"},{"Metabolite":"Pyroglutamic acid","retention time":"6.9","quantified m/z":"130.0498","PubChem ID":"103524636","KEGG ID":"C01879","HMDB ID":"HMDB00267","Study Metabolite Name":"pyroglutamic acid","Study ID":"m453"},{"Metabolite":"S-Adenosylmethionine","retention time":"10.17","quantified m/z":"399.1441","PubChem ID":"126523864","KEGG ID":"","HMDB ID":"HMDB01185","Study Metabolite Name":"s-adenosylmethionine","Study ID":"m454"},{"Metabolite":"Sarcosine","retention time":"8.11","quantified m/z":"90.0555","PubChem ID":"102851555","KEGG ID":"C00213","HMDB ID":"HMDB00271","Study Metabolite Name":"sarcosine","Study ID":"m455"},{"Metabolite":"Symmetric dimethyl-L-arginine","retention time":"9.64","quantified m/z":"203.1501","PubChem ID":"103839531","KEGG ID":"","HMDB ID":"HMDB03334","Study Metabolite Name":"SDMA","Study ID":"m456"},{"Metabolite":"Serine","retention time":"7.68","quantified m/z":"106.0502","PubChem ID":"103059495","KEGG ID":"C00065","HMDB ID":"HMDB00187","Study Metabolite Name":"serine","Study ID":"m457"},{"Metabolite":"Serotonin","retention time":"6.28","quantified m/z":"177.1021","PubChem ID":"103165719","KEGG ID":"C00780","HMDB ID":"HMDB00259","Study Metabolite Name":"serotonin","Study ID":"m458"},{"Metabolite":"Spermidine","retention time":"10.64","quantified m/z":"146.165","PubChem ID":"103162190","KEGG ID":"C00315","HMDB ID":"HMDB01257","Study Metabolite Name":"spermidine","Study ID":"m459"},{"Metabolite":"Taurine","retention time":"6.1","quantified m/z":"126.022","PubChem ID":"103545120","KEGG ID":"C00245","HMDB ID":"HMDB00251","Study Metabolite Name":"taurine","Study ID":"m460"},{"Metabolite":"Thiamine","retention time":"9.58","quantified m/z":"265.1114","PubChem ID":"103574063","KEGG ID":"C00378","HMDB ID":"HMDB00235","Study Metabolite Name":"thiamine","Study ID":"m461"},{"Metabolite":"Threonine","retention time":"7.62","quantified m/z":"120.0657","PubChem ID":"103023885","KEGG ID":"C00188","HMDB ID":"HMDB00167","Study Metabolite Name":"threonine","Study ID":"m462"},{"Metabolite":"Thymidine","retention time":"2.96","quantified m/z":"243.0973","PubChem ID":"103240092","KEGG ID":"C00214","HMDB ID":"HMDB00273","Study Metabolite Name":"thymidine","Study ID":"m463"},{"Metabolite":"Trimethylamine N-oxide","retention time":"8.04","quantified m/z":"76.0764","PubChem ID":"104296894","KEGG ID":"C01104","HMDB ID":"HMDB00925","Study Metabolite Name":"trimethylamine-N-oxide","Study ID":"m464"},{"Metabolite":"Tryptophan","retention time":"6.51","quantified m/z":"205.097","PubChem ID":"103058907","KEGG ID":"C00078","HMDB ID":"HMDB00929","Study Metabolite Name":"tryptophan","Study ID":"m465"},{"Metabolite":"Tyrosine","retention time":"6.82","quantified m/z":"182.0811","PubChem ID":"103059560","KEGG ID":"C00082","HMDB ID":"HMDB00158","Study Metabolite Name":"tyrosine","Study ID":"m466"},{"Metabolite":"Valine","retention time":"7.38","quantified m/z":"118.0865","PubChem ID":"103059097","KEGG ID":"C00183","HMDB ID":"HMDB00883","Study Metabolite Name":"valine","Study ID":"m467"},{"Metabolite":"Xanthosine","retention time":"4.39","quantified m/z":"285.0828","PubChem ID":"103564523","KEGG ID":"C01762","HMDB ID":"HMDB00299","Study Metabolite Name":"xanthosine","Study ID":"m468"},{"Metabolite":"Guanine","retention time":"5.41","quantified m/z":"152.0566","PubChem ID":"103022865","KEGG ID":"C00242","HMDB ID":"HMDB00132","Study Metabolite Name":"guanine","Study ID":"m25116"},{"Metabolite":"L-Histidinol","retention time":"6.8","quantified m/z":"140.0817","PubChem ID":"10255841","KEGG ID":"C00860","HMDB ID":"HMDB03431","Study Metabolite Name":"histidinol","Study ID":"m24403"},{"Metabolite":"Imidazoleacetic acid","retention time":"8.06","quantified m/z":"127.0502","PubChem ID":"103207032","KEGG ID":"C02835","HMDB ID":"HMDB02024","Study Metabolite Name":"Imidazole-4-acetate","Study ID":"m23770"},{"Metabolite":"N-6-trimethyllysine","retention time":"11.22","quantified m/z":"189.1596","PubChem ID":"10298539","KEGG ID":"C03793","HMDB ID":"HMDB01325","Study Metabolite Name":"N6,N6,N6-Trimethyl-L-lysine","Study ID":"m27273"},{"Metabolite":"N-Acetylhistamine","retention time":"7.69","quantified m/z":"154.0973","PubChem ID":"103837725","KEGG ID":"C05135","HMDB ID":"HMDB13253","Study Metabolite Name":"N-acetylhistamine","Study ID":"m25231"},{"Metabolite":"Urocanic acid","retention time":"4.54","quantified m/z":"139.0501","PubChem ID":"103122049","KEGG ID":"C00785","HMDB ID":"HMDB00301","Study Metabolite Name":"urocanic acid","Study ID":"m24355"}]
}

}