{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001117","ANALYSIS_ID":"AN001813","VERSION":"1","CREATED_ON":"December 26, 2018, 12:51 pm"},

"PROJECT":{"PROJECT_TITLE":"A Metabolomic study of hibernating Syrian hamster brain: in search of neuroprotective agents","PROJECT_SUMMARY":"hamster brain samples, divided in 3 groups: torpor, arousal, control group were compared via metabolomics analysis","INSTITUTE":"Universidad CEU San Pablo","LAST_NAME":"Gonzalez-Riano","FIRST_NAME":"Carolina","ADDRESS":"Facultad de Farmacia, Universidad CEU San Pablo, Campus Monteprincipe, Boadilla del Monte, Boadilla del Monte, Madrid, 28668, Spain","EMAIL":"car.gonzalez@ceindo.ceu.es","PHONE":"00 34 91 3724753"},

"STUDY":{"STUDY_TITLE":"A Metabolomic study of hibernating Syrian hamster brain: in search of neuroprotective agents","STUDY_TYPE":"Multiplatform non-targeted metabolomics","STUDY_SUMMARY":"hamster brain samples, divided in 3 groups: torpor, arousal, control group were compared via metabolomics analysis","INSTITUTE":"Universidad CEU San Pablo","LABORATORY":"CEMBIO (Centre for Metabolomics and Bioanalysis)","LAST_NAME":"Gonzalez-Riano","FIRST_NAME":"Carolina","ADDRESS":"Facultad de Farmacia, Universidad CEU San Pablo, Campus Monteprincipe, Boadilla del Monte, Boadilla del Monte, Madrid, 28668, Spain","EMAIL":"car.gonzalez@ceindo.ceu.es","PHONE":"00 34 91 3724753"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mesocricetus Auratus","TAXONOMY_ID":"10036"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"A1",
"Factors":{"hibernation":"arousal"}
},
{
"Subject ID":"-",
"Sample ID":"A3",
"Factors":{"hibernation":"arousal"}
},
{
"Subject ID":"-",
"Sample ID":"A6",
"Factors":{"hibernation":"arousal"}
},
{
"Subject ID":"-",
"Sample ID":"A10",
"Factors":{"hibernation":"arousal"}
},
{
"Subject ID":"-",
"Sample ID":"A11",
"Factors":{"hibernation":"arousal"}
},
{
"Subject ID":"-",
"Sample ID":"C1",
"Factors":{"hibernation":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C2",
"Factors":{"hibernation":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C3",
"Factors":{"hibernation":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C4",
"Factors":{"hibernation":"control"}
},
{
"Subject ID":"-",
"Sample ID":"C5",
"Factors":{"hibernation":"control"}
},
{
"Subject ID":"-",
"Sample ID":"T2",
"Factors":{"hibernation":"torpor"}
},
{
"Subject ID":"-",
"Sample ID":"T4",
"Factors":{"hibernation":"torpor"}
},
{
"Subject ID":"-",
"Sample ID":"T5",
"Factors":{"hibernation":"torpor"}
},
{
"Subject ID":"-",
"Sample ID":"T10",
"Factors":{"hibernation":"torpor"}
},
{
"Subject ID":"-",
"Sample ID":"T11",
"Factors":{"hibernation":"torpor"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"A total of 15 male 3-month-old Syrian hamsters had free access to food and water and were kept at 23C with an 8:16-h light/dark cycle for a four to six-week acclimatization period in our animal facility. All animals were euthanized by decapitation. Brains were then removed and immediately transferred to a N2(l)-containing recipient to freeze the tissues.","SAMPLE_TYPE":"Brain"},

"TREATMENT":{"TREATMENT_SUMMARY":"the whole right hemisphere (300 mg approx.) was analyzed to decrease possible biological variability due to the brain region employed. Brain homogenate was prepared by adding cold (-20°C) methanol:water (1:1, v/v), (1:10 tissue:solvent). Tissue disruption was achieved with TissueLyser LT homogenizer (Qiagen, Germany) for metabolite extraction. Subsequently, 100 μL of brain tissue homogenate was vortex-mixed with 320 μL of methanol for 2 min, followed by the addition of 80 μL of MTBE for the extraction of non-polar compounds. Then, vials were rapidly capped and placed on a shaker for 1 h at room temperature. The extracted samples were centrifuged at 4000 g for 20 min at 20°C. For GC-MS analysis, 300 μL of supernatant was evaporated to dryness (SpeedVac Concentrator System, Thermo Fisher Scientific, Waltham, MA, USA). Methoxymation was then performed with 20 µL O-methoxyamine hydrochloride (15 mg/mL in pyridine) and vigorously vortex-mixed for 5 min. Vials were then incubated in darkness at room temperature for 16 hours. For silylation, 20 μL of BSTFA:TMCS (99:1) was added, vortex-mixed for 5 min, and capped vials were placed in the oven at 70°C for 1 h. Finally, 100 μL of heptane containing C18:0 methyl ester (10 ppm) as Internal Standard (IS) was added to each vial prior to injection. For LC-MS analysis, 90 μL of supernatant was transferred to an Ultra-High Performance Liquid Chromatography-Mass (UHPLC-MS) chromatography vial with insert and was directly injected into the system. For CE-MS analysis, 200 μL of initial brain homogenate was centrifuged separately at 16000 g for 30 min at 15°C. 150 μL of supernatant was evaporated to dryness using the SpeedVac, and re-suspended in 150 μL of 0.2 mM Methionine Sulfone (IS) in 0.1 M formic acid. Samples were vortex-mixed, sonicated, and then centrifuged at 16000 g for 20 min at 4°C. Finally, 100 μL of supernatant was transferred to a CE-MS vial for the analysis."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"the whole right hemisphere (300 mg approx.) was analyzed to decrease possible biological variability due to the brain region employed. Brain homogenate was prepared by adding cold (-20°C) methanol:water (1:1, v/v), (1:10 tissue:solvent). Tissue disruption was achieved with TissueLyser LT homogenizer (Qiagen, Germany) for metabolite extraction. Subsequently, 100 μL of brain tissue homogenate was vortex-mixed with 320 μL of methanol for 2 min, followed by the addition of 80 μL of MTBE for the extraction of non-polar compounds. Then, vials were rapidly capped and placed on a shaker for 1 h at room temperature. The extracted samples were centrifuged at 4000 g for 20 min at 20°C. For GC-MS analysis, 300 μL of supernatant was evaporated to dryness (SpeedVac Concentrator System, Thermo Fisher Scientific, Waltham, MA, USA). Methoxymation was then performed with 20 µL O-methoxyamine hydrochloride (15 mg/mL in pyridine) and vigorously vortex-mixed for 5 min. Vials were then incubated in darkness at room temperature for 16 hours. For silylation, 20 μL of BSTFA:TMCS (99:1) was added, vortex-mixed for 5 min, and capped vials were placed in the oven at 70°C for 1 h. Finally, 100 μL of heptane containing C18:0 methyl ester (10 ppm) as Internal Standard (IS) was added to each vial prior to injection. For LC-MS analysis, 90 μL of supernatant was transferred to an Ultra-High Performance Liquid Chromatography-Mass (UHPLC-MS) chromatography vial with insert and was directly injected into the system. For CE-MS analysis, 200 μL of initial brain homogenate was centrifuged separately at 16000 g for 30 min at 15°C. 150 μL of supernatant was evaporated to dryness using the SpeedVac, and re-suspended in 150 μL of 0.2 mM Methionine Sulfone (IS) in 0.1 M formic acid. Samples were vortex-mixed, sonicated, and then centrifuged at 16000 g for 20 min at 4°C. Finally, 100 μL of supernatant was transferred to a CE-MS vial for the analysis"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent 7890A","COLUMN_NAME":"Agilent 122-5532G"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 5975C","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"EI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"Beta-alanine","A1":"15792","A3":"19551","A6":"17318","A10":"16539","A11":"19389","T2":"20332","T4":"18175","T5":"13497","T10":"14877","T11":"17254","C1":"18553","C2":"18654","C3":"13211","C4":"17373","C5":"17570"},{"Metabolite":"beta-L-(-)-Fucopyranose","A1":"2504","A3":"2656","A6":"2666","A10":"2053","A11":"3660","T2":"3219","T4":"3181","T5":"2768","T10":"2933","T11":"4420","C1":"3083","C2":"3419","C3":"1648","C4":"2348","C5":"4163"},{"Metabolite":"phosphoric acid","A1":"8101872","A3":"8111725","A6":"7511640","A10":"7508799","A11":"9396395","T2":"10148489","T4":"7817972","T5":"6579897","T10":"7428831","T11":"8755614","C1":"9442123","C2":"8050838","C3":"5518614","C4":"7442830","C5":"9123015"},{"Metabolite":"O-phosphocolamine","A1":"13244","A3":"18325","A6":"18588","A10":"13389","A11":"21992","T2":"18950","T4":"21420","T5":"14246","T10":"12750","T11":"15470","C1":"16885","C2":"12059","C3":"9668","C4":"11069","C5":"13759"},{"Metabolite":"glucoheptonic 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"Metabolites":[{"Metabolite":"Beta-alanine","rtimes":"12.044"},{"Metabolite":"beta-L-(-)-Fucopyranose","rtimes":"19.711"},{"Metabolite":"phosphoric acid","rtimes":"9.966"},{"Metabolite":"O-phosphocolamine","rtimes":"16.232"},{"Metabolite":"glucoheptonic acid","rtimes":"19.615"},{"Metabolite":"pyrophosphate","rtimes":"14.993"},{"Metabolite":"putrescine","rtimes":"15.709"},{"Metabolite":"heptadecanoic acid","rtimes":"19.8"},{"Metabolite":"arachidic acid","rtimes":"22.367"},{"Metabolite":"pyruvic acid","rtimes":"6.714"},{"Metabolite":"L-lactic acid","rtimes":"6.851"},{"Metabolite":"hypotaurine","rtimes":"14.113"},{"Metabolite":"sarcosine","rtimes":"8.032"},{"Metabolite":"myristic acid","rtimes":"16.887"},{"Metabolite":"L- sorbose 2","rtimes":"17.235"},{"Metabolite":"succinic acid","rtimes":"10.509"},{"Metabolite":"ribonic acid-gamma-lactone 1","rtimes":"15.052"},{"Metabolite":"uracil","rtimes":"10.777"},{"Metabolite":"uric acid","rtimes":"19.331"},{"Metabolite":"urea","rtimes":"9.599"},{"Metabolite":"xanthine","rtimes":"18.574"},{"Metabolite":"L-proline","rtimes":"10.321"},{"Metabolite":"3-hydroxy-3-methylglutaric acid (dicrotalic acid)","rtimes":"14.232"},{"Metabolite":"D-threitol","rtimes":"12.954"},{"Metabolite":"D-galactose","rtimes":"17.409"},{"Metabolite":"L-asparagine","rtimes":"14.984"},{"Metabolite":"benzoic acid","rtimes":"9.594"},{"Metabolite":"fructose","rtimes":"17.18"},{"Metabolite":"2,3-dihydroxypyridine","rtimes":"10.472"},{"Metabolite":"cholesterol","rtimes":"27.555"},{"Metabolite":"citric acid","rtimes":"16.615"},{"Metabolite":"L-glutamic acid","rtimes":"14.398"},{"Metabolite":"caprylic acid","rtimes":"9.81"},{"Metabolite":"ribulose-5-phosphate","rtimes":"19.603"},{"Metabolite":"glyceric acid","rtimes":"10.735"},{"Metabolite":"threose 2","rtimes":"12.371"},{"Metabolite":"D-glucose-6-phosphate","rtimes":"21.558"},{"Metabolite":"D (+)altrose","rtimes":"17.397"},{"Metabolite":"talose_R1","rtimes":"17.4"},{"Metabolite":"talose_R2","rtimes":"17.521"},{"Metabolite":"fumaric acid","rtimes":"10.94"},{"Metabolite":"oleic acid","rtimes":"20.504"},{"Metabolite":"D-allose 1","rtimes":"17.278"},{"Metabolite":"1-methyl nicotinamide","rtimes":"12.736"},{"Metabolite":"3-methyl-2-oxobutanoic acid","rtimes":"7.562"},{"Metabolite":"4-guanidinobutyric acid","rtimes":"13.348"},{"Metabolite":"stearic acid","rtimes":"20.675"},{"Metabolite":"methyl oleate","rtimes":"19.44"},{"Metabolite":"trans-4-hydroxy-L-proline 2","rtimes":"13.267"},{"Metabolite":"Creatinine","rtimes":"13.629"},{"Metabolite":"L-alanine","rtimes":"7.495"},{"Metabolite":"L-serine","rtimes":"11.174"},{"Metabolite":"aspartic 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acid","rtimes":"7.049"},{"Metabolite":"hypoxanthine","rtimes":"18.6"},{"Metabolite":"DL-isoleucine","rtimes":"10.225"},{"Metabolite":"3-hydroxypyridine","rtimes":"8.047"},{"Metabolite":"malonic acid","rtimes":"8.919"},{"Metabolite":"2-hydroxypyridine","rtimes":"6.519"},{"Metabolite":"allo-inositol","rtimes":"17.245"},{"Metabolite":"myo-inositol","rtimes":"19.354"},{"Metabolite":"D-malic acid","rtimes":"12.794"},{"Metabolite":"nicotinamide","rtimes":"12.743"},{"Metabolite":"lactamide","rtimes":"7.959"},{"Metabolite":"acetoacetate","rtimes":"7.865"},{"Metabolite":"oxalic acid","rtimes":"7.883"},{"Metabolite":"palmitic acid","rtimes":"18.846"},{"Metabolite":"11-Octadecenoic acid","rtimes":"20.531"},{"Metabolite":"1-Monopalmitin","rtimes":"23.504"},{"Metabolite":"2-((2-Chloroethyl)ethylamino)ethanol","rtimes":"8.239"},{"Metabolite":"2,3-Butanediol","rtimes":"6.832"},{"Metabolite":"2-Butanol","rtimes":"6.825"},{"Metabolite":"2-Butenedioic acid","rtimes":"7.67"},{"Metabolite":"2-Keto-l-gluconic acid","rtimes":"15.946"},{"Metabolite":"2-Palmitoylglycerol","rtimes":"23.239"},{"Metabolite":"2-Pyrrolidinone","rtimes":"8.083"},{"Metabolite":"3,5-Dihydroxy-2H-1,2,4-oxadiazine","rtimes":"17.353"},{"Metabolite":"3-Aminodihydro-2(3H)-furanone","rtimes":"5.754"},{"Metabolite":"3-Heptanol","rtimes":"6.212"},{"Metabolite":"4-Aminobutanoic acid","rtimes":"10.281"},{"Metabolite":"Acetamide","rtimes":"11.06"},{"Metabolite":"Allyl(methoxy)dimethylsilane","rtimes":"7.251"},{"Metabolite":"Aminomalonic acid","rtimes":"12.499"},{"Metabolite":"Arabino-Hexos-2-ulose, 3,4,5,6-tetrakis-O-(trimethylsilyl)-, bis(dimethyl acetal)","rtimes":"12.593"},{"Metabolite":"Arachidonic acid","rtimes":"21.776"},{"Metabolite":"Boric acid","rtimes":"5.837"},{"Metabolite":"D-(+)-Arabitol","rtimes":"5.837"},{"Metabolite":"D-Mannose, 2,3,4,5-tetrakis-O-(trimethylsilyl)-, O-methyloxime, 6-[bis(trimethylsilyl) phosphate]","rtimes":"21.206"},{"Metabolite":"D-Ribose, 2,3,4-tris-O-(trimethylsilyl)-, O-methyloxime, 5-[bis(trimethylsilyl) phosphate]","rtimes":"18.154"},{"Metabolite":"Ethanolamine","rtimes":"9.803"},{"Metabolite":"Heptan-4-ol","rtimes":"6.087"},{"Metabolite":"Hydroxylamine","rtimes":"8.696"},{"Metabolite":"l-Norvaline","rtimes":"13.275"},{"Metabolite":"L-Threonic acid","rtimes":"13.393"},{"Metabolite":"Myo-Inositol, 1,3,4,5,6-pentakis-O-(trimethylsilyl)-, bis(trimethylsilyl) phosphate","rtimes":"22.126"},{"Metabolite":"phenoxyethanol","rtimes":"7.476"},{"Metabolite":"Phenylalanine","rtimes":"14.438"},{"Metabolite":"Phosphoric acid, bis(trimethylsilyl)monomethyl ester","rtimes":"8.514"},{"Metabolite":"2,4,6-trimethyl-Pyridine","rtimes":"18.667"},{"Metabolite":"Scyllo-Inositol","rtimes":"18.667"},{"Metabolite":"Methyl Stearate (IS)","rtimes":"19.663"},{"Metabolite":"adenosine","rtimes":"23.825"},{"Metabolite":"D-Glucopyranose","rtimes":"18.154"},{"Metabolite":"Uknown Monosaccharide","rtimes":"16.598"}]
}

}