{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000885","ANALYSIS_ID":"AN001442","VERSION":"1","CREATED_ON":"October 31, 2017, 4:44 pm"},

"PROJECT":{"PROJECT_TITLE":"Gut Microbiota Modulate Brain Insulin Sensitivity and Neurobehavior","PROJECT_TYPE":"Metabolite profiling of cecal contents and brains of mice under diet-induced obesity (DIO) with and without antibiotic treatments.","PROJECT_SUMMARY":"Obesity and diabetes in humans are associated with increased rates of anxiety and depression. To understand the role of the gut microbiome and brain insulin resistance in these disorders, we evaluated behaviors and insulin action in brain of mice with diet-induced obesity (DIO) with and without antibiotic treatment. We find that DIO mice have behaviors reflective of increased anxiety and depression. This is associated with decreased insulin signaling and increased inflammation in multiple brain regions. Treatment with oral metronidazole or vancomycin decreases inflammation, improves insulin signaling in the brain and reduces signs of anxiety and depression. These effects are transferable to germ-free mice by fecal transplant of gut microbiota and are associated with changes in the levels of tryptophan, GABA, BDNF, amino acids and multiple acylcarnitines in the brain. Thus, changes in gut microbiota can control brain insulin signaling and metabolite levels, and this leads to altered neurobehaviors.","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":"Marion Soto, Clémence Herzog, Julian Avila-Pacheco, Shiho Fujisaka, Kevin Bullock, Clary B. Clish, and C. Ronald Kahn"},

"STUDY":{"STUDY_TITLE":"Gut Microbiota Modulate Brain Insulin Sensitivity and Neurobehavior","STUDY_TYPE":"Metabolite profiling of cecal contents and brains of mice under diet-induced obesity (DIO) with and without antibiotic treatments.","STUDY_SUMMARY":"C57BL/6J mice were purchased from Jackson Laboratory and maintained on either a normal chow containing 22% of calories from fat, 23% from protein, and 55% from carbohydrates (Mouse diet 9F 5020; PharmaServ) or a high-fat diet (Open Source Diet, D12492; Research Diets) containing 60% of calories from fat, 20% from protein, and 20% from carbohydrates for 6 weeks. During the last 2 weeks, some of the HFD mice were treated with vancomycin or metronidazole (1 g/L in the drinking water). All mice were housed at 22°C on a 12 h light/dark cycle. All animal studies were approved by the IACUC of Joslin Diabetes Center (# 97-05) and Harvard Medical School (# 05131) and were in accordance with NIH guidelines. The metabolite profiling was conducted on plasma, hypothalamus and nucleus accumbens.","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":"24"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
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"Sample ID":"0002.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"2"}
},
{
"Subject ID":"2",
"Sample ID":"0010.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"10"}
},
{
"Subject ID":"3",
"Sample ID":"0015.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"15"}
},
{
"Subject ID":"4",
"Sample ID":"0022.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"22"}
},
{
"Subject ID":"5",
"Sample ID":"0004.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"4"}
},
{
"Subject ID":"6",
"Sample ID":"0014.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"14"}
},
{
"Subject ID":"7",
"Sample ID":"0011.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"11"}
},
{
"Subject ID":"8",
"Sample ID":"0013.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"13"}
},
{
"Subject ID":"9",
"Sample ID":"0007.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"7"}
},
{
"Subject ID":"10",
"Sample ID":"0021.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"21"}
},
{
"Subject ID":"11",
"Sample ID":"0024.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"24"}
},
{
"Subject ID":"12",
"Sample ID":"0020.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"20"}
},
{
"Subject ID":"13",
"Sample ID":"0019.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"19"}
},
{
"Subject ID":"14",
"Sample ID":"0003.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"3"}
},
{
"Subject ID":"15",
"Sample ID":"0005.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"5"}
},
{
"Subject ID":"16",
"Sample ID":"0017.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"17"}
},
{
"Subject ID":"17",
"Sample ID":"0016.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"16"}
},
{
"Subject ID":"18",
"Sample ID":"0009.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"9"}
},
{
"Subject ID":"19",
"Sample ID":"0001.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"1"}
},
{
"Subject ID":"20",
"Sample ID":"0018.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"18"}
},
{
"Subject ID":"21",
"Sample ID":"0006.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"6"}
},
{
"Subject ID":"22",
"Sample ID":"0012.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"12"}
},
{
"Subject ID":"24",
"Sample ID":"0008.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"hypothalamus"},
"Additional sample data":{"Run order":"8"}
},
{
"Subject ID":"1",
"Sample ID":"0026.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"26"}
},
{
"Subject ID":"2",
"Sample ID":"0034.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"34"}
},
{
"Subject ID":"3",
"Sample ID":"0039.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"39"}
},
{
"Subject ID":"4",
"Sample ID":"0046.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"46"}
},
{
"Subject ID":"5",
"Sample ID":"0028.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"28"}
},
{
"Subject ID":"6",
"Sample ID":"0038.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"38"}
},
{
"Subject ID":"7",
"Sample ID":"0035.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"35"}
},
{
"Subject ID":"8",
"Sample ID":"0037.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"37"}
},
{
"Subject ID":"9",
"Sample ID":"0031.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"31"}
},
{
"Subject ID":"10",
"Sample ID":"0045.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"45"}
},
{
"Subject ID":"11",
"Sample ID":"0048.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"48"}
},
{
"Subject ID":"12",
"Sample ID":"0044.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"44"}
},
{
"Subject ID":"13",
"Sample ID":"0043.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"43"}
},
{
"Subject ID":"14",
"Sample ID":"0027.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"27"}
},
{
"Subject ID":"15",
"Sample ID":"0029.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"29"}
},
{
"Subject ID":"16",
"Sample ID":"0041.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"41"}
},
{
"Subject ID":"17",
"Sample ID":"0040.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"40"}
},
{
"Subject ID":"18",
"Sample ID":"0033.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"33"}
},
{
"Subject ID":"19",
"Sample ID":"0025.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"25"}
},
{
"Subject ID":"20",
"Sample ID":"0042.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"42"}
},
{
"Subject ID":"21",
"Sample ID":"0030.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"30"}
},
{
"Subject ID":"22",
"Sample ID":"0036.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"36"}
},
{
"Subject ID":"23",
"Sample ID":"0047.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"47"}
},
{
"Subject ID":"24",
"Sample ID":"0032.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"nucleus accumbens"},
"Additional sample data":{"Run order":"32"}
},
{
"Subject ID":"1",
"Sample ID":"0050.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"50"}
},
{
"Subject ID":"2",
"Sample ID":"0058.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"58"}
},
{
"Subject ID":"3",
"Sample ID":"0063.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"63"}
},
{
"Subject ID":"4",
"Sample ID":"0070.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"70"}
},
{
"Subject ID":"5",
"Sample ID":"0052.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"52"}
},
{
"Subject ID":"6",
"Sample ID":"0062.d",
"Factors":{"Diet":"Chow","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"62"}
},
{
"Subject ID":"7",
"Sample ID":"0059.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"59"}
},
{
"Subject ID":"8",
"Sample ID":"0061.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"61"}
},
{
"Subject ID":"9",
"Sample ID":"0055.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"55"}
},
{
"Subject ID":"10",
"Sample ID":"0069.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"69"}
},
{
"Subject ID":"11",
"Sample ID":"0072.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"72"}
},
{
"Subject ID":"12",
"Sample ID":"0068.d",
"Factors":{"Diet":"HFD","Treatment":"none","Tissue":"plasma"},
"Additional sample data":{"Run order":"68"}
},
{
"Subject ID":"13",
"Sample ID":"0067.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"plasma"},
"Additional sample data":{"Run order":"67"}
},
{
"Subject ID":"14",
"Sample ID":"0051.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"plasma"},
"Additional sample data":{"Run order":"51"}
},
{
"Subject ID":"15",
"Sample ID":"0053.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"plasma"},
"Additional sample data":{"Run order":"53"}
},
{
"Subject ID":"16",
"Sample ID":"0065.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"plasma"},
"Additional sample data":{"Run order":"65"}
},
{
"Subject ID":"17",
"Sample ID":"0064.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"plasma"},
"Additional sample data":{"Run order":"64"}
},
{
"Subject ID":"18",
"Sample ID":"0057.d",
"Factors":{"Diet":"HFD","Treatment":"vancomycin","Tissue":"plasma"},
"Additional sample data":{"Run order":"57"}
},
{
"Subject ID":"19",
"Sample ID":"0049.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"plasma"},
"Additional sample data":{"Run order":"49"}
},
{
"Subject ID":"20",
"Sample ID":"0066.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"plasma"},
"Additional sample data":{"Run order":"66"}
},
{
"Subject ID":"21",
"Sample ID":"0054.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"plasma"},
"Additional sample data":{"Run order":"54"}
},
{
"Subject ID":"22",
"Sample ID":"0060.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"plasma"},
"Additional sample data":{"Run order":"60"}
},
{
"Subject ID":"23",
"Sample ID":"0071.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"plasma"},
"Additional sample data":{"Run order":"71"}
},
{
"Subject ID":"24",
"Sample ID":"0056.d",
"Factors":{"Diet":"HFD","Treatment":"metronidazole","Tissue":"plasma"},
"Additional sample data":{"Run order":"56"}
}
],
"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":"6 weeks-old male C57BL/6J mice were purchased from Jackson Laboratory and maintained on either a normal chow containing 22% of calories from fat, 23% from protein, and 55% from carbohydrates (Mouse diet 9F 5020; PharmaServ) or a high-fat diet (Open Source Diet, D12492; Research Diets) containing 60% of calories from fat, 20% from protein, and 20% from carbohydrates for 6 weeks. During the last 2 weeks, some of the HFD mice were treated with vancomycin or metronidazole (1 g/L in the drinking water)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Plasma: LC-MS samples were prepared from plasma (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 directly. Nucleus accumbens and Hypothalamus: Frozen brain tissue samples were homogenized in 4 volumes of HPLC water (J. T. Baker, Center Valley Pa.) using a TissueLyser II (Qiagen, Hilden, Germany) with 3mm tungsten beads at 20 Hz in two 2-minute cycles. Homogenates were then aliquoted for profiling. Samples were prepared from lysates(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 directly."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"A 150 x 2.1 mm Atlantis HILIC column (Waters) was eluted isocratically at a flow rate of 250 µL/min with 5% mobile phase A (10 mM ammonium formate and 0.1% formic acid in water) for 1 minute followed by a linear gradient to 40% mobile phase B (acetonitrile with 0.1% formic acid) over 10 minutes","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Agilent 1290 infinity II","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":"Julian Avila"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6495 QQQ","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
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m/z":"203.2","PubChem ID":"123831","KEGG ID":"C03626","Transition":"203.2 -> 70.2","HMDB ID":"HMDB01539"},{"Metabolite":"SDMA","retention index":"9.58","quantified m/z":"203.1","PubChem ID":"169148","KEGG ID":"","Transition":"203.1 -> 70.3","HMDB ID":"HMDB03334"},{"Metabolite":"NMMA","retention index":"9.3","quantified m/z":"189.1","PubChem ID":"","KEGG ID":"","Transition":"189.1 -> 70.2","HMDB ID":"HMDB29416"},{"Metabolite":"anthranilic acid","retention index":"1.81","quantified m/z":"138.1","PubChem ID":"","KEGG ID":"","Transition":"138.1 -> 120.0","HMDB ID":"HMDB01123"},{"Metabolite":"kynurenic acid","retention index":"5.12","quantified m/z":"190.1","PubChem ID":"","KEGG ID":"","Transition":"190.1 -> 144.1","HMDB ID":"HMDB00715"},{"Metabolite":"1-methylhistamine","retention index":"9.51","quantified m/z":"126.1","PubChem ID":"","KEGG ID":"","Transition":"126.1 -> 109.0","HMDB ID":"HMDB00898"},{"Metabolite":"5-adenosylhomocysteine","retention index":"8.06","quantified m/z":"385.1","PubChem ID":"","KEGG ID":"","Transition":"385.1 -> 136.1","HMDB ID":"HMDB00939"},{"Metabolite":"carnosine","retention index":"9.27","quantified m/z":"227.1","PubChem ID":"","KEGG ID":"","Transition":"227.1 -> 110.1","HMDB ID":"HMDB00033"},{"Metabolite":"N-carbamoyl-beta-alanine","retention index":"3.96","quantified m/z":"133.1","PubChem ID":"","KEGG ID":"","Transition":"133.1 -> 115.0","HMDB ID":"HMDB00026"},{"Metabolite":"thiamine","retention index":"9.58","quantified m/z":"266.1","PubChem ID":"","KEGG ID":"","Transition":"266.1 -> 122.1","HMDB ID":"HMDB00235"},{"Metabolite":"niacinamide","retention index":"3.67","quantified m/z":"123.1","PubChem ID":"","KEGG ID":"","Transition":"123.1 -> 80.1","HMDB ID":"HMDB01406"},{"Metabolite":"betaine","retention index":"8.89","quantified m/z":"118.1","PubChem ID":"","KEGG ID":"","Transition":"118.1 -> 58.2","HMDB ID":"HMDB00043"},{"Metabolite":"choline","retention index":"8.13","quantified m/z":"105.1","PubChem ID":"","KEGG ID":"","Transition":"105.1 -> 61.3","HMDB ID":"HMDB00097"},{"Metabolite":"phosphocholine","retention index":"10.43","quantified m/z":"185.1","PubChem ID":"","KEGG ID":"","Transition":"185.1 -> 87.1","HMDB ID":"HMDB01565"},{"Metabolite":"phosphoethanolamine","retention index":"9.37","quantified m/z":"142","PubChem ID":"","KEGG ID":"","Transition":"142.0 -> 44.3","HMDB ID":"HMDB00224"},{"Metabolite":"alpha-glycerophosphocholine","retention index":"10.48","quantified m/z":"258.1","PubChem ID":"","KEGG ID":"","Transition":"258.1 -> 104.1","HMDB ID":"HMDB00086"},{"Metabolite":"spermidine","retention index":"11.2","quantified m/z":"146.2","PubChem ID":"","KEGG ID":"","Transition":"146.2 -> 72.1","HMDB ID":"HMDB01257"},{"Metabolite":"creatine","retention index":"8.22","quantified m/z":"132.1","PubChem ID":"","KEGG ID":"","Transition":"132.1 -> 90.1","HMDB ID":"HMDB00064"},{"Metabolite":"creatinine","retention index":"6.31","quantified m/z":"114.1","PubChem ID":"","KEGG ID":"","Transition":"114.1 -> 44.3","HMDB ID":"HMDB00562"},{"Metabolite":"triiodothyronine","retention index":"5.56","quantified m/z":"651.8","PubChem ID":"","KEGG ID":"","Transition":"651.8 -> 605.6","HMDB ID":"HMDB00265"},{"Metabolite":"thyroxine","retention index":"5.53","quantified m/z":"777.7","PubChem ID":"","KEGG ID":"","Transition":"777.7 -> 731.5","HMDB ID":"HMDB00248"},{"Metabolite":"trimethylamine-N-oxide","retention index":"7.91","quantified m/z":"76.1","PubChem ID":"","KEGG ID":"","Transition":"76.1 -> 58.2","HMDB ID":"HMDB00925"},{"Metabolite":"adenosine","retention index":"4.88","quantified m/z":"268.1","PubChem ID":"","KEGG ID":"","Transition":"268.1 -> 136.0","HMDB ID":"HMDB00050"},{"Metabolite":"cytosine","retention index":"5.76","quantified m/z":"112.1","PubChem ID":"","KEGG ID":"","Transition":"112.1 -> 94.9","HMDB ID":"HMDB00630"},{"Metabolite":"thymidine","retention index":"4.93","quantified m/z":"243.1","PubChem ID":"","KEGG ID":"","Transition":"243.1 -> 127.0","HMDB ID":"HMDB00273"},{"Metabolite":"xanthosine","retention index":"4.18","quantified m/z":"285.1","PubChem ID":"","KEGG ID":"","Transition":"285.1 -> 153.1","HMDB ID":"HMDB00299"},{"Metabolite":"2-deoxycytidine","retention index":"5.88","quantified m/z":"228.1","PubChem ID":"","KEGG ID":"","Transition":"228.1 -> 112.0","HMDB ID":"HMDB00014"},{"Metabolite":"cotinine","retention index":"4.9","quantified m/z":"177.1","PubChem ID":"","KEGG ID":"","Transition":"177.1 -> 80.1","HMDB ID":"HMDB01046"},{"Metabolite":"mevalonic acid","retention index":"1.65","quantified m/z":"149.1","PubChem ID":"","KEGG ID":"","Transition":"149.1 -> 65.1","HMDB ID":"HMDB00227"},{"Metabolite":"pipecolic acid","retention index":"7.95","quantified m/z":"130.1","PubChem ID":"","KEGG ID":"","Transition":"130.1 -> 84.1","HMDB ID":"HMDB00716"},{"Metabolite":"butyrobetaine","retention index":"8.58","quantified m/z":"147.1","PubChem ID":"","KEGG ID":"","Transition":"147.1 -> 88.1","HMDB ID":"HMDB01161"},{"Metabolite":"putrescine","retention index":"9.29","quantified m/z":"89.1","PubChem ID":"","KEGG ID":"","Transition":"89.1 -> 72.2","HMDB ID":"HMDB01414"},{"Metabolite":"methionine sulfoxide","retention index":"8.58","quantified m/z":"166.1","PubChem ID":"","KEGG ID":"","Transition":"166.1 -> 74.1","HMDB ID":"HMDB02005"},{"Metabolite":"sarcosine","retention index":"8.18","quantified m/z":"90.1","PubChem ID":"","KEGG ID":"","Transition":"90.1 -> 44.3","HMDB ID":"HMDB00271"},{"Metabolite":"beta-alanine","retention index":"7.81","quantified m/z":"90.1","PubChem ID":"","KEGG ID":"","Transition":"90.1 -> 72.1","HMDB ID":"HMDB00056"},{"Metabolite":"carnitine","retention index":"8.69","quantified m/z":"162.1","PubChem ID":"","KEGG ID":"","Transition":"162.1 -> 85.1","HMDB ID":"HMDB00062"},{"Metabolite":"C2 carnitine","retention index":"8.52","quantified m/z":"204.1","PubChem ID":"","KEGG ID":"","Transition":"204.1 -> 85.1","HMDB ID":"HMDB00201"},{"Metabolite":"C3 carnitine","retention index":"8.16","quantified m/z":"218.4","PubChem ID":"","KEGG ID":"","Transition":"218.4 -> 85.1","HMDB ID":"HMDB00824"},{"Metabolite":"C3-DC carnitine","retention index":"8.72","quantified m/z":"248.4","PubChem ID":"","KEGG ID":"","Transition":"248.4 -> 85.1","HMDB ID":"HMDB02095"},{"Metabolite":"C3-DC-CH3 carnitine","retention index":"8.57","quantified m/z":"262.4","PubChem ID":"","KEGG ID":"","Transition":"262.4 -> 85.1","HMDB ID":"HMDB13133"},{"Metabolite":"C4 carnitine","retention index":"7.84","quantified m/z":"232.4","PubChem ID":"","KEGG ID":"","Transition":"232.4 -> 85.1","HMDB ID":"HMDB02013"},{"Metabolite":"C4-OH carnitine","retention index":"8.72","quantified m/z":"248.4","PubChem ID":"","KEGG ID":"","Transition":"248.4 -> 85.1","HMDB ID":"HMDB13127"},{"Metabolite":"C5 carnitine","retention index":"7.6","quantified m/z":"246.5","PubChem ID":"","KEGG ID":"","Transition":"246.5 -> 85.1","HMDB ID":"HMDB00688"},{"Metabolite":"C5:1 carnitine","retention index":"7.7","quantified m/z":"244.5","PubChem ID":"","KEGG ID":"","Transition":"244.5 -> 85.1","HMDB ID":"HMDB02366"},{"Metabolite":"C5-DC carnitine","retention index":"8.17","quantified m/z":"276.5","PubChem ID":"","KEGG ID":"","Transition":"276.5 -> 85.1","HMDB ID":"HMDB13130"},{"Metabolite":"C6 carnitine","retention index":"7.38","quantified m/z":"260.2","PubChem ID":"","KEGG ID":"","Transition":"260.2 -> 85.0","HMDB ID":"HMDB00705"},{"Metabolite":"C7 carnitine","retention index":"7.29","quantified m/z":"274.5","PubChem ID":"","KEGG ID":"","Transition":"274.5 -> 85.1","HMDB ID":"HMDB13238"},{"Metabolite":"C8 carnitine","retention index":"7.17","quantified m/z":"288.2","PubChem ID":"","KEGG ID":"","Transition":"288.2 -> 85.1","HMDB ID":"HMDB00791"},{"Metabolite":"C9 carnitine","retention index":"7.06","quantified m/z":"302.5","PubChem ID":"","KEGG ID":"","Transition":"302.5 -> 85.1","HMDB ID":"HMDB13288"},{"Metabolite":"C10 carnitine","retention index":"6.96","quantified m/z":"316.3","PubChem ID":"","KEGG ID":"","Transition":"316.3 -> 85.1","HMDB ID":"HMDB00651"},{"Metabolite":"C10:2 carnitine","retention index":"7.12","quantified m/z":"312.6","PubChem ID":"","KEGG ID":"","Transition":"312.6 -> 85.4","HMDB ID":"HMDB13325"},{"Metabolite":"C12 carnitine","retention index":"6.78","quantified m/z":"344.6","PubChem ID":"","KEGG ID":"","Transition":"344.6 -> 85.1","HMDB ID":"HMDB02250"},{"Metabolite":"C12:1 carnitine","retention index":"6.81","quantified m/z":"342.6","PubChem ID":"","KEGG ID":"","Transition":"342.6 -> 85.1","HMDB ID":"HMDB13326"},{"Metabolite":"C14 carnitine","retention index":"6.64","quantified m/z":"372.3","PubChem ID":"","KEGG ID":"","Transition":"372.3 -> 85.1","HMDB ID":"HMDB05066"},{"Metabolite":"C14:1 carnitine","retention index":"6.65","quantified m/z":"370.5","PubChem ID":"","KEGG ID":"","Transition":"370.5 -> 85.2","HMDB ID":"HMDB02014"},{"Metabolite":"C14:2 carnitine","retention index":"6.7","quantified m/z":"368.5","PubChem ID":"","KEGG ID":"","Transition":"368.5 -> 85.2","HMDB ID":"HMDB13331"},{"Metabolite":"C16 carnitine","retention index":"6.51","quantified m/z":"400.3","PubChem ID":"","KEGG ID":"","Transition":"400.3 -> 85.1","HMDB ID":"HMDB00222"},{"Metabolite":"C16-OH carnitine","retention index":"6.96","quantified m/z":"416.7","PubChem ID":"","KEGG ID":"","Transition":"416.7 -> 85.1","HMDB ID":"HMDB13337"},{"Metabolite":"C18 carnitine","retention index":"6.41","quantified m/z":"428.7","PubChem ID":"","KEGG ID":"","Transition":"428.7 -> 85.1","HMDB ID":"HMDB00848"},{"Metabolite":"C18:1 carnitine","retention index":"6.43","quantified m/z":"426.4","PubChem ID":"","KEGG ID":"","Transition":"426.4 -> 85.2","HMDB ID":"HMDB05065"},{"Metabolite":"C18:1-OH carnitine","retention index":"6.88","quantified m/z":"442.7","PubChem ID":"","KEGG ID":"","Transition":"442.7 -> 85.1","HMDB ID":"HMDB13339"},{"Metabolite":"C18:2 carnitine","retention index":"6.47","quantified m/z":"424.7","PubChem ID":"","KEGG ID":"","Transition":"424.7 -> 85.1","HMDB ID":"HMDB06469"},{"Metabolite":"C20 carnitine","retention index":"6.3","quantified m/z":"456.7","PubChem ID":"","KEGG ID":"","Transition":"456.7 -> 85.1","HMDB ID":"HMDB06460"},{"Metabolite":"C22:6 carnitine","retention index":"6.35","quantified m/z":"472.6","PubChem ID":"","KEGG ID":"","Transition":"472.6 -> 85.1","HMDB ID":"HMDB06510"},{"Metabolite":"epinephrine","retention index":"6.57","quantified m/z":"184.1","PubChem ID":"","KEGG ID":"","Transition":"184.1 -> 166.0","HMDB ID":"HMDB00068"},{"Metabolite":"spermine","retention index":"9.48","quantified m/z":"202.2","PubChem ID":"","KEGG ID":"","Transition":"202.2 -> 112.1","HMDB ID":"HMDB01256"},{"Metabolite":"tyramine","retention index":"6.15","quantified m/z":"138.1","PubChem ID":"","KEGG ID":"","Transition":"138.1 -> 121.0","HMDB ID":"HMDB00306"},{"Metabolite":"methylthioadenosine","retention index":"4.06","quantified m/z":"298.1","PubChem ID":"","KEGG ID":"","Transition":"298.1 -> 136.0","HMDB ID":"HMDB01173"},{"Metabolite":"5-hydroxytryptophol","retention index":"1.96","quantified m/z":"178.1","PubChem ID":"","KEGG ID":"","Transition":"178.1 -> 160.1","HMDB ID":"HMDB01855"},{"Metabolite":"hydroxyproline","retention index":"7.74","quantified m/z":"132.1","PubChem ID":"","KEGG ID":"","Transition":"132.1 -> 86.1","HMDB ID":"HMDB00725"},{"Metabolite":"guanidinoacetic acid","retention index":"7.73","quantified m/z":"118.1","PubChem ID":"","KEGG ID":"","Transition":"118.1 -> 30.4","HMDB ID":"HMDB00128"},{"Metabolite":"3-indoleacetic acid","retention index":"1.93","quantified m/z":"176.1","PubChem ID":"","KEGG ID":"","Transition":"176.1 -> 130.1","HMDB ID":"HMDB00197"},{"Metabolite":"N-acetylserotonin","retention index":"2.45","quantified m/z":"219.1","PubChem ID":"","KEGG ID":"","Transition":"219.1 -> 160.0","HMDB ID":"HMDB01238"},{"Metabolite":"tryptamine","retention index":"5.94","quantified m/z":"161.1","PubChem ID":"","KEGG ID":"","Transition":"161.1 -> 144.1","HMDB ID":"HMDB00303"},{"Metabolite":"N-methyltryptamine","retention index":"6.01","quantified m/z":"175.1","PubChem ID":"","KEGG ID":"","Transition":"175.1 -> 144.1","HMDB ID":"HMDB04370"},{"Metabolite":"picolinic acid","retention index":"3.66","quantified m/z":"124","PubChem ID":"","KEGG ID":"","Transition":"124.0 -> 78.0","HMDB ID":"HMDB02243"},{"Metabolite":"5-methoxytryptophol","retention index":"1.89","quantified m/z":"192.1","PubChem ID":"","KEGG ID":"","Transition":"192.1 -> 174.1","HMDB ID":"HMDB01896"},{"Metabolite":"adenine","retention index":"5.38","quantified m/z":"136.1","PubChem ID":"","KEGG ID":"","Transition":"136.1 -> 119.0","HMDB ID":"HMDB00034"},{"Metabolite":"kynurenine","retention index":"6.47","quantified m/z":"209.1","PubChem ID":"","KEGG ID":"","Transition":"209.1 -> 94.0","HMDB ID":"HMDB00684"},{"Metabolite":"thymine","retention index":"2.94","quantified m/z":"127.1","PubChem ID":"","KEGG ID":"","Transition":"127.1 -> 110.0","HMDB ID":"HMDB00262"}]
}

}