{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001215","ANALYSIS_ID":"AN002026","VERSION":"1","CREATED_ON":"July 15, 2019, 3:41 pm"},

"PROJECT":{"PROJECT_TITLE":"Role of 12-LOX in cold adaptation","PROJECT_SUMMARY":"We aimed to study the role of 12-LOX lipid products in the adaptive thermogenesis in mice exposed to cold.","INSTITUTE":"Joslin Diabetes Center - Harvard medical School","LAST_NAME":"Leiria","FIRST_NAME":"Luiz","ADDRESS":"One Joslin Place, 02215, MA-USA","EMAIL":"luiz.leiria@joslin.harvard.edu","PHONE":"617-309-1967"},

"STUDY":{"STUDY_TITLE":"Effect of Mirabegron Treatment on serum lipidome","STUDY_SUMMARY":"Determine the lipidome changes in the serum of human subjects treated with a single dosage (200mg) of the beta-3 adrenoceptor agonist Mirabegron.","INSTITUTE":"Joslin Diabetes Center - Harvard medical Schoolin","LAST_NAME":"Leiria","FIRST_NAME":"Luiz","ADDRESS":"One Joslin Place, 02215, Boston, MA-USA","EMAIL":"luiz.leiria@joslin.harvard.edu","PHONE":"617-309-1967"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male and female"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"309-06 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-06 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-02 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-02 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-04 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-04 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-03 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-03 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-05 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-05 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-12 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-12 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-17 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-17 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-14 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-14 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-18 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-18 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-13 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-13 M",
"Factors":{"Treatment":"Mirabegron"}
},
{
"Subject ID":"-",
"Sample ID":"309-15 P",
"Factors":{"Treatment":"Placebo"}
},
{
"Subject ID":"-",
"Sample ID":"309-15 M",
"Factors":{"Treatment":"Mirabegron"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Human plasma was acquired from a previously performed clinical trial (Cypess et al., 2015) registered with ClinicalTrials.gov (NCT01783470) and had the FDA Investigational New Drug (IND) registration number 116246. It was approved by the Human Studies Institutional Review Boards of Beth Israel Deaconess Medical Center (BIDMC) and Joslin Diabetes Center (JDC). Blood samples were collected 180 minutes after oral dosing. 180 minutes is the corresponding T max (time after administration of a drug when the maximum plasma concentration is reached) found for mirabegron in men (Baskin et al., Diabetes 2018).","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"Healthy volunteers were recruited through electronic advertisements and provided written informed consent. The subjects were given a single oral dose of mirabegron, 200 mg."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Aliquots of 100 µL plasma were taken, depending on the experiment. A mixture of deuterium-labeled internal standards was added to each aliquot, followed by 3x volume of sample of cold methanol (MeOH). Samples were vortexed for 5 minutes and stored at 31 −20 °C overnight. Cold samples were centrifuged at 14,000g for 10 minutes, and the supernatant was then transferred to a new tube and 3 mL of acidified H 2 O (pH 3.5) was added to each sample prior to C18 SPE. The methyl formate fractions were collected, dried under nitrogen, and reconstituted in 50 µL MeOH:H 2 O (1:1, by vol). Samples were transferred to 0.5 mL tubes and centrifuged at 20,000g at 4 °C for 10 minutes. (35ul) of supernatant was transferred to LC–MS/MS vials for analysis using the BERG LCMS/MS mediator lipidomics platform."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"UHPLC","INSTRUMENT_NAME":"ABI Sciex 5600+ TripleTOF","COLUMN_NAME":"Synergi™ Fusion-RP capillary C18 column (150 × 0.5 mm, 4 µm; Phenomenex Inc., Torrance, CA, USA) Inc., Torrance, CA, USA)"},

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

"MS":{"INSTRUMENT_NAME":"ABI Sciex 5600+ TripleTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"MS analysis was performed on a SCIEX TripleTOF® 5600+ system using the HR-MRM strategy consisting of a TOF MS experiment looped with multiple MS/MS experiments. MS spectra were acquired in high-resolution mode (>30,000) using a 100-ms accumulation time per spectrum. Fullscan MS/MS was acquired in high sensitivity mode, with an accumulation time optimized per cycle. Collision energy was set using rolling collision energy with a spread of 15V. The identity of a component was confirmed using PeakView® software (SCIEX), and quantification was performed using MultiQuant™ software (SCIEX)."},

"MS_METABOLITE_DATA":{
"Units":"Peak Area",

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ID":"16759351"},{"Metabolite":"8-HETrE","Pubchem ID":"71306337 "},{"Metabolite":"15-HETrE","Pubchem ID":"44322431"},{"Metabolite":"2,3-dinor-11beta-PGF2a","Pubchem ID":""},{"Metabolite":"tetranor-PGFM","Pubchem ID":"3246853"},{"Metabolite":"12-oxoLTB4","Pubchem ID":""},{"Metabolite":"PGA2/PGJ2","Pubchem ID":"5280880"},{"Metabolite":"PGB2","Pubchem ID":"5280881"},{"Metabolite":"15-deoxy-delta12,14-PGD2","Pubchem ID":"5283052"},{"Metabolite":"13,14-dihydro-15-keto PGA2","Pubchem ID":"5283042"},{"Metabolite":"Bicyclo PGE2","Pubchem ID":"5283043"},{"Metabolite":"delta12-PGJ2","Pubchem ID":"5280885"},{"Metabolite":"LTB4","Pubchem ID":"5280492 "},{"Metabolite":"5,6-diHETE","Pubchem ID":"14429105"},{"Metabolite":"5,15-diHETE","Pubchem ID":"5283158"},{"Metabolite":"Hepoxilin A3","Pubchem ID":"5283211"},{"Metabolite":"14,15-diHETE","Pubchem ID":"16061119"},{"Metabolite":"17,18-diHETE","Pubchem ID":"16061120"},{"Metabolite":"PGA1","Pubchem ID":"5281912"},{"Metabolite":"5,6-diHETrE","Pubchem 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ID":"5280711"},{"Metabolite":"13,14-dihydro-15-keto PGD2","Pubchem ID":"5283036"},{"Metabolite":"15-keto-PGF2a","Pubchem ID":"5280887"},{"Metabolite":"PGE2/PGD2","Pubchem ID":"5280360"},{"Metabolite":"PGD2","Pubchem ID":"448457"},{"Metabolite":"LXA4","Pubchem ID":"5280914"},{"Metabolite":"LXB4","Pubchem ID":"5280915"},{"Metabolite":"PGF2a","Pubchem ID":"5280363"},{"Metabolite":"8-iso PGF2a","Pubchem ID":"5282263"},{"Metabolite":"5-iPF2a-VI","Pubchem ID":""},{"Metabolite":"PGE1/PGD1","Pubchem ID":"5280723"},{"Metabolite":"11-beta-PGF2a/PGF2b","Pubchem ID":"5280506"},{"Metabolite":"13,14-dihydro-15-keto PGF2a","Pubchem ID":"5283039"},{"Metabolite":"Maresin1","Pubchem ID":"60201795"},{"Metabolite":"PD1","Pubchem ID":"71508666"},{"Metabolite":"19,20-diHDPA","Pubchem ID":"16061148"},{"Metabolite":"20-carboxy LTB4","Pubchem ID":"5280877"},{"Metabolite":"TxB3","Pubchem ID":"5283140"},{"Metabolite":"11-dehydro TxB2","Pubchem ID":"1409"},{"Metabolite":"19/20-OH PGE2","Pubchem ID":""},{"Metabolite":"6-keto PGE1","Pubchem ID":"5280889"},{"Metabolite":"TxB2","Pubchem ID":"5283137"},{"Metabolite":"6-keto-PGF1a","Pubchem ID":"5280888"},{"Metabolite":"19/20-OH PGF2a","Pubchem ID":""},{"Metabolite":"6,15-diketo-13,14-dihydro PGF1a","Pubchem ID":"5283033"},{"Metabolite":"RvD1","Pubchem ID":"44251266"},{"Metabolite":"RvD2","Pubchem ID":"11383310"},{"Metabolite":"LTE4","Pubchem ID":"5280879"},{"Metabolite":"LTD4","Pubchem ID":"5280878"},{"Metabolite":"LTC4","Pubchem ID":"5280493"},{"Metabolite":"d4-9-HODE","Pubchem ID":""},{"Metabolite":"d8-5S-HETE","Pubchem ID":"5283153"},{"Metabolite":"d4-LTB4","Pubchem ID":"16061113"},{"Metabolite":"d4-PGE2","Pubchem ID":"5283031"},{"Metabolite":"PGF1a","Pubchem ID":"6473774"},{"Metabolite":"13,14-dihydro PGE1","Pubchem ID":"161273"}]
}

}