{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000555","ANALYSIS_ID":"AN000851","VERSION":"1","CREATED_ON":"February 15, 2017, 4:56 pm"},

"PROJECT":{"PROJECT_TITLE":"Drug's effect on cerebral metabolic pool sizes","PROJECT_SUMMARY":"The goal of this project is to analyze the metabolic pool distribution of cerebral metabolites in response to drug administration and withdrawal","INSTITUTE":"University of Florida","DEPARTMENT":"Biochemistry and Molecular Biology","LAST_NAME":"Long","FIRST_NAME":"Joanna","ADDRESS":"1149 Newell Drive BLDG 59 LG-129 Gainesville, FL 32611","EMAIL":"jrlong@mbi.ufl.edu","PHONE":"none"},

"STUDY":{"STUDY_TITLE":"Cocaine administration and withdrawal","STUDY_TYPE":"treatment and control","STUDY_SUMMARY":"The goal of this project is to analyze the metabolic pool distribution of cerebral metabolites in response to cocaine administration and withdrawal as compared to control","INSTITUTE":"University of Florida","DEPARTMENT":"SECIM","LABORATORY":"Biochemistry and Molecular Biology","LAST_NAME":"Downes","FIRST_NAME":"Daniel","ADDRESS":"1149 Newell Drive BLDG 59 LG-129 Gainesville, FL 32611","EMAIL":"daniel.downes@neurosurgery.ufl.edu","PHONE":"321-303-6523","NUM_GROUPS":"5","TOTAL_SUBJECTS":"12"},

"SUBJECT":{"SUBJECT_TYPE":"Long Evans Rat","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"LongEvans1",
"Sample ID":"LongDNP_001",
"Factors":{"treatment":"acute"},
"Additional sample data":{"body weight":"339g"}
},
{
"Subject ID":"LongEvans2",
"Sample ID":"LongDNP_002",
"Factors":{"treatment":"acute"},
"Additional sample data":{"body weight":"402g"}
},
{
"Subject ID":"LongEvans3",
"Sample ID":"LongDNP_003",
"Factors":{"treatment":"acute"},
"Additional sample data":{"body weight":"363g"}
},
{
"Subject ID":"LongEvans4",
"Sample ID":"LongDNP_004",
"Factors":{"treatment":"acute control"},
"Additional sample data":{"body weight":"425g"}
},
{
"Subject ID":"LongEvans5",
"Sample ID":"LongDNP_005",
"Factors":{"treatment":"acute control"},
"Additional sample data":{"body weight":"380g"}
},
{
"Subject ID":"LongEvans6",
"Sample ID":"LongDNP_006",
"Factors":{"treatment":"acute control"},
"Additional sample data":{"body weight":"397g"}
},
{
"Subject ID":"LongEvans7",
"Sample ID":"LongDNP_007",
"Factors":{"treatment":"withdrawal"},
"Additional sample data":{"body weight":"447g"}
},
{
"Subject ID":"LongEvans8",
"Sample ID":"LongDNP_008",
"Factors":{"treatment":"withdrawal"},
"Additional sample data":{"body weight":"375g"}
},
{
"Subject ID":"LongEvans9",
"Sample ID":"LongDNP_009",
"Factors":{"treatment":"withdrawal"},
"Additional sample data":{"body weight":"373g"}
},
{
"Subject ID":"LongEvans10",
"Sample ID":"LongDNP_010",
"Factors":{"treatment":"withdrawal control"},
"Additional sample data":{"body weight":"385g"}
},
{
"Subject ID":"LongEvans11",
"Sample ID":"LongDNP_011",
"Factors":{"treatment":"withdrawal control"},
"Additional sample data":{"body weight":"407g"}
},
{
"Subject ID":"LongEvans12",
"Sample ID":"LongDNP_012",
"Factors":{"treatment":"withdrawal control"},
"Additional sample data":{"body weight":"434g"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"harvested, rinsed with cold saline, left hemisphere flash frozen in liquid N2","SAMPLE_TYPE":"Tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"Acute injection = 10mg/kg/cc cocaine i.p, Acute Control = no injection, Withdrawal = 10mg/kg/cc cocaine i.p daily for 10 days_3days withdrawal, Withdrawal control = 1ml/kg saline i.p daily for 10 days_3 days withdrawal"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"none","SAMPLEPREP_PROTOCOL_FILENAME":"Metabolomics Global_LCMS.pdf;Metabolomics_LCMSProtocol_plasma"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Scientific-Dionex Ultimate 3000","COLUMN_NAME":"ACE Excel 2 C18-PFP (100 x 2.1mm, 2um)","METHODS_FILENAME":"Metabolomics_LCMSProtocol_plasma"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Metabolomics_LCMSProtocol_plasma.pdf"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"Peak height",

"Data":[{"Metabolite":"(R)-MALATE","LongDNP_008":"13100000.00","LongDNP_003":"9540000.00","LongDNP_002":"11700000.00","LongDNP_001":"9520000.00","LongDNP_006":"11100000.00","LongDNP_004":"13200000.00","LongDNP_005":"10700000.00","LongDNP_007":"11300000.00","LongDNP_009":"12300000.00","LongDNP_012":"9820000.00","LongDNP_011":"13900000.00","LongDNP_010":"12200000.00"},{"Metabolite":"(S)-DIHYDROOROTATE","LongDNP_008":"623000.00","LongDNP_003":"500000.00","LongDNP_002":"588000.00","LongDNP_001":"514000.00","LongDNP_006":"602000.00","LongDNP_004":"506000.00","LongDNP_005":"522000.00","LongDNP_007":"598000.00","LongDNP_009":"472000.00","LongDNP_012":"487000.00","LongDNP_011":"532000.00","LongDNP_010":"539000.00"},{"Metabolite":"2',4'-DIHYDROXYACETOPHENONE","LongDNP_008":"172000.00","LongDNP_003":"163000.00","LongDNP_002":"193000.00","LongDNP_001":"163000.00","LongDNP_006":"199000.00","LongDNP_004":"183000.00","LongDNP_005":"183000.00","LongDNP_007":"191000.00","LongDNP_009":"237000.00","LongDNP_012":"181000.00","LongDNP_011":"178000.00","LongDNP_010":"180000.00"},{"Metabolite":"2'-DEOXYGUANOSINE","LongDNP_008":"8810000.00","LongDNP_003":"11900000.00","LongDNP_002":"7090000.00","LongDNP_001":"7840000.00","LongDNP_006":"7220000.00","LongDNP_004":"7230000.00","LongDNP_005":"8670000.00","LongDNP_007":"7990000.00","LongDNP_009":"5990000.00","LongDNP_012":"7840000.00","LongDNP_011":"8140000.00","LongDNP_010":"8490000.00"},{"Metabolite":"2-Hydroxyphenylalanine","LongDNP_008":"57000000.00","LongDNP_003":"44500000.00","LongDNP_002":"48700000.00","LongDNP_001":"44000000.00","LongDNP_006":"55500000.00","LongDNP_004":"45600000.00","LongDNP_005":"46500000.00","LongDNP_007":"46800000.00","LongDNP_009":"42400000.00","LongDNP_012":"40700000.00","LongDNP_011":"49600000.00","LongDNP_010":"47800000.00"},{"Metabolite":"3,4-DIHYDROXY-L-PHENYLALANINE","LongDNP_008":"43300.00","LongDNP_003":"35800.00","LongDNP_002":"113000.00","LongDNP_001":"85900.00","LongDNP_006":"41300.00","LongDNP_004":"40000.00","LongDNP_005":"35000.00","LongDNP_007":"76900.00","LongDNP_009":"94000.00","LongDNP_012":"85800.00","LongDNP_011":"39700.00","LongDNP_010":"32500.00"},{"Metabolite":"3,4-Dimethylbenzoic acid","LongDNP_008":"522000.00","LongDNP_003":"515000.00","LongDNP_002":"507000.00","LongDNP_001":"522000.00","LongDNP_006":"470000.00","LongDNP_004":"528000.00","LongDNP_005":"577000.00","LongDNP_007":"568000.00","LongDNP_009":"539000.00","LongDNP_012":"591000.00","LongDNP_011":"554000.00","LongDNP_010":"558000.00"},{"Metabolite":"3,5-Di-tert-butylbenzaldehyde_R1","LongDNP_008":"453000.00","LongDNP_003":"246000.00","LongDNP_002":"355000.00","LongDNP_001":"422000.00","LongDNP_006":"441000.00","LongDNP_004":"244000.00","LongDNP_005":"240000.00","LongDNP_007":"267000.00","LongDNP_009":"252000.00","LongDNP_012":"192000.00","LongDNP_011":"255000.00","LongDNP_010":"278000.00"},{"Metabolite":"3,5-Di-tert-butylbenzaldehyde_R2","LongDNP_008":"467000.00","LongDNP_003":"262000.00","LongDNP_002":"368000.00","LongDNP_001":"468000.00","LongDNP_006":"458000.00","LongDNP_004":"265000.00","LongDNP_005":"84000.00","LongDNP_007":"96600.00","LongDNP_009":"252000.00","LongDNP_012":"85200.00","LongDNP_011":"73100.00","LongDNP_010":"286000.00"},{"Metabolite":"3-DEHYDROSHIKIMATE","LongDNP_008":"4610000.00","LongDNP_003":"4610000.00","LongDNP_002":"4550000.00","LongDNP_001":"4460000.00","LongDNP_006":"4470000.00","LongDNP_004":"4740000.00","LongDNP_005":"4460000.00","LongDNP_007":"4420000.00","LongDNP_009":"4550000.00","LongDNP_012":"4560000.00","LongDNP_011":"4430000.00","LongDNP_010":"4510000.00"},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARATE","LongDNP_008":"793000.00","LongDNP_003":"650000.00","LongDNP_002":"816000.00","LongDNP_001":"707000.00","LongDNP_006":"671000.00","LongDNP_004":"860000.00","LongDNP_005":"604000.00","LongDNP_007":"687000.00","LongDNP_009":"691000.00","LongDNP_012":"725000.00","LongDNP_011":"837000.00","LongDNP_010":"838000.00"},{"Metabolite":"4-AMINOBUTANOATE (GABA)","LongDNP_008":"956000000.00","LongDNP_003":"840000000.00","LongDNP_002":"906000000.00","LongDNP_001":"866000000.00","LongDNP_006":"898000000.00","LongDNP_004":"832000000.00","LongDNP_005":"826000000.00","LongDNP_007":"908000000.00","LongDNP_009":"794000000.00","LongDNP_012":"840000000.00","LongDNP_011":"1010000000.00","LongDNP_010":"939000000.00"},{"Metabolite":"4-GUANIDINOBUTANOATE","LongDNP_008":"13900000.00","LongDNP_003":"13900000.00","LongDNP_002":"14400000.00","LongDNP_001":"13900000.00","LongDNP_006":"16300000.00","LongDNP_004":"17400000.00","LongDNP_005":"13500000.00","LongDNP_007":"15300000.00","LongDNP_009":"14500000.00","LongDNP_012":"16300000.00","LongDNP_011":"17300000.00","LongDNP_010":"14200000.00"},{"Metabolite":"4-IMIDAZOLEACETIC ACID","LongDNP_008":"104000.00","LongDNP_003":"193000.00","LongDNP_002":"187000.00","LongDNP_001":"133000.00","LongDNP_006":"182000.00","LongDNP_004":"326000.00","LongDNP_005":"120000.00","LongDNP_007":"151000.00","LongDNP_009":"187000.00","LongDNP_012":"196000.00","LongDNP_011":"126000.00","LongDNP_010":"102000.00"},{"Metabolite":"5,6-DIHYDROURACIL","LongDNP_008":"5430000.00","LongDNP_003":"4840000.00","LongDNP_002":"4870000.00","LongDNP_001":"4390000.00","LongDNP_006":"5900000.00","LongDNP_004":"5140000.00","LongDNP_005":"5150000.00","LongDNP_007":"4720000.00","LongDNP_009":"4070000.00","LongDNP_012":"4650000.00","LongDNP_011":"5150000.00","LongDNP_010":"4500000.00"},{"Metabolite":"5-HYDROXY-L-TRYPTOPHAN","LongDNP_008":"68200.00","LongDNP_003":"52500.00","LongDNP_002":"75100.00","LongDNP_001":"57200.00","LongDNP_006":"63200.00","LongDNP_004":"62000.00","LongDNP_005":"66100.00","LongDNP_007":"59000.00","LongDNP_009":"120000.00","LongDNP_012":"63300.00","LongDNP_011":"69800.00","LongDNP_010":"84700.00"},{"Metabolite":"5-OXO-L-PROLINE","LongDNP_008":"86300000.00","LongDNP_003":"71000000.00","LongDNP_002":"88000000.00","LongDNP_001":"82500000.00","LongDNP_006":"88800000.00","LongDNP_004":"85200000.00","LongDNP_005":"101000000.00","LongDNP_007":"73900000.00","LongDNP_009":"67600000.00","LongDNP_012":"67600000.00","LongDNP_011":"79600000.00","LongDNP_010":"79600000.00"},{"Metabolite":"Acyl-Carnitine(5-OH)","LongDNP_008":"966000.00","LongDNP_003":"1070000.00","LongDNP_002":"1060000.00","LongDNP_001":"1090000.00","LongDNP_006":"880000.00","LongDNP_004":"857000.00","LongDNP_005":"1520000.00","LongDNP_007":"1060000.00","LongDNP_009":"912000.00","LongDNP_012":"1160000.00","LongDNP_011":"1000000.00","LongDNP_010":"1190000.00"},{"Metabolite":"ADENINE","LongDNP_008":"53700000.00","LongDNP_003":"43200000.00","LongDNP_002":"43500000.00","LongDNP_001":"33300000.00","LongDNP_006":"39200000.00","LongDNP_004":"62100000.00","LongDNP_005":"40500000.00","LongDNP_007":"38000000.00","LongDNP_009":"30300000.00","LongDNP_012":"34400000.00","LongDNP_011":"61600000.00","LongDNP_010":"36700000.00"},{"Metabolite":"ADENOSINE 5'-MONOPHOSPHATE","LongDNP_008":"3210000.00","LongDNP_003":"10800000.00","LongDNP_002":"3270000.00","LongDNP_001":"3700000.00","LongDNP_006":"3690000.00","LongDNP_004":"3500000.00","LongDNP_005":"4220000.00","LongDNP_007":"3880000.00","LongDNP_009":"3190000.00","LongDNP_012":"4400000.00","LongDNP_011":"3540000.00","LongDNP_010":"4310000.00"},{"Metabolite":"ALANINE/SARCOSINE","LongDNP_008":"65100000.00","LongDNP_003":"63100000.00","LongDNP_002":"74300000.00","LongDNP_001":"68900000.00","LongDNP_006":"76500000.00","LongDNP_004":"64700000.00","LongDNP_005":"65900000.00","LongDNP_007":"61500000.00","LongDNP_009":"57900000.00","LongDNP_012":"65700000.00","LongDNP_011":"73500000.00","LongDNP_010":"62900000.00"},{"Metabolite":"Allopurinol","LongDNP_008":"354000000.00","LongDNP_003":"340000000.00","LongDNP_002":"358000000.00","LongDNP_001":"321000000.00","LongDNP_006":"356000000.00","LongDNP_004":"378000000.00","LongDNP_005":"370000000.00","LongDNP_007":"359000000.00","LongDNP_009":"356000000.00","LongDNP_012":"358000000.00","LongDNP_011":"376000000.00","LongDNP_010":"365000000.00"},{"Metabolite":"ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R1","LongDNP_008":"2650000.00","LongDNP_003":"2230000.00","LongDNP_002":"2040000.00","LongDNP_001":"2430000.00","LongDNP_006":"2410000.00","LongDNP_004":"2410000.00","LongDNP_005":"959000.00","LongDNP_007":"2710000.00","LongDNP_009":"2260000.00","LongDNP_012":"2100000.00","LongDNP_011":"2620000.00","LongDNP_010":"2720000.00"},{"Metabolite":"ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE_R2","LongDNP_008":"2650000.00","LongDNP_003":"2300000.00","LongDNP_002":"2190000.00","LongDNP_001":"2430000.00","LongDNP_006":"2570000.00","LongDNP_004":"2520000.00","LongDNP_005":"2530000.00","LongDNP_007":"335000.00","LongDNP_009":"972000.00","LongDNP_012":"1020000.00","LongDNP_011":"1160000.00","LongDNP_010":"919000.00"},{"Metabolite":"ASPARTATE","LongDNP_008":"178000000.00","LongDNP_003":"177000000.00","LongDNP_002":"169000000.00","LongDNP_001":"159000000.00","LongDNP_006":"156000000.00","LongDNP_004":"190000000.00","LongDNP_005":"173000000.00","LongDNP_007":"145000000.00","LongDNP_009":"156000000.00","LongDNP_012":"150000000.00","LongDNP_011":"162000000.00","LongDNP_010":"182000000.00"},{"Metabolite":"Bis(2-ethylhexyl) phthalate","LongDNP_008":"522000.00","LongDNP_003":"1600000.00","LongDNP_002":"901000.00","LongDNP_001":"6540000.00","LongDNP_006":"1020000.00","LongDNP_004":"1770000.00","LongDNP_005":"370000.00","LongDNP_007":"399000.00","LongDNP_009":"1200000.00","LongDNP_012":"835000.00","LongDNP_011":"2250000.00","LongDNP_010":"281000.00"},{"Metabolite":"BOC-D-Phenylalanine","LongDNP_008":"103000000.00","LongDNP_003":"110000000.00","LongDNP_002":"99100000.00","LongDNP_001":"103000000.00","LongDNP_006":"109000000.00","LongDNP_004":"108000000.00","LongDNP_005":"110000000.00","LongDNP_007":"116000000.00","LongDNP_009":"111000000.00","LongDNP_012":"107000000.00","LongDNP_011":"118000000.00","LongDNP_010":"121000000.00"},{"Metabolite":"BOC-L-Tyrosine","LongDNP_008":"98400000.00","LongDNP_003":"95900000.00","LongDNP_002":"94400000.00","LongDNP_001":"94700000.00","LongDNP_006":"98900000.00","LongDNP_004":"99600000.00","LongDNP_005":"100000000.00","LongDNP_007":"96600000.00","LongDNP_009":"97100000.00","LongDNP_012":"91400000.00","LongDNP_011":"97200000.00","LongDNP_010":"101000000.00"},{"Metabolite":"Butyrylcarnitine","LongDNP_008":"429000.00","LongDNP_003":"1430000.00","LongDNP_002":"863000.00","LongDNP_001":"553000.00","LongDNP_006":"391000.00","LongDNP_004":"865000.00","LongDNP_005":"758000.00","LongDNP_007":"568000.00","LongDNP_009":"159000.00","LongDNP_012":"164000.00","LongDNP_011":"130000.00","LongDNP_010":"119000.00"},{"Metabolite":"Caffeine-D3","LongDNP_008":"29700000.00","LongDNP_003":"28600000.00","LongDNP_002":"28600000.00","LongDNP_001":"34800000.00","LongDNP_006":"28900000.00","LongDNP_004":"27900000.00","LongDNP_005":"27500000.00","LongDNP_007":"28100000.00","LongDNP_009":"26400000.00","LongDNP_012":"26200000.00","LongDNP_011":"28500000.00","LongDNP_010":"25400000.00"},{"Metabolite":"Choline","LongDNP_008":"452000000.00","LongDNP_003":"411000000.00","LongDNP_002":"419000000.00","LongDNP_001":"423000000.00","LongDNP_006":"428000000.00","LongDNP_004":"438000000.00","LongDNP_005":"470000000.00","LongDNP_007":"441000000.00","LongDNP_009":"409000000.00","LongDNP_012":"393000000.00","LongDNP_011":"478000000.00","LongDNP_010":"457000000.00"},{"Metabolite":"CITRATE","LongDNP_008":"1660000.00","LongDNP_003":"1210000.00","LongDNP_002":"1200000.00","LongDNP_001":"653000.00","LongDNP_006":"651000.00","LongDNP_004":"2110000.00","LongDNP_005":"1270000.00","LongDNP_007":"1080000.00","LongDNP_009":"1640000.00","LongDNP_012":"754000.00","LongDNP_011":"1300000.00","LongDNP_010":"1860000.00"},{"Metabolite":"CITRULLINE_R1","LongDNP_008":"20700000.00","LongDNP_003":"21900000.00","LongDNP_002":"20900000.00","LongDNP_001":"19500000.00","LongDNP_006":"22600000.00","LongDNP_004":"19100000.00","LongDNP_005":"19400000.00","LongDNP_007":"18500000.00","LongDNP_009":"16700000.00","LongDNP_012":"20700000.00","LongDNP_011":"23000000.00","LongDNP_010":"20100000.00"},{"Metabolite":"CITRULLINE_R2","LongDNP_008":"20700000.00","LongDNP_003":"22300000.00","LongDNP_002":"22200000.00","LongDNP_001":"19500000.00","LongDNP_006":"22900000.00","LongDNP_004":"19200000.00","LongDNP_005":"4030000.00","LongDNP_007":"4160000.00","LongDNP_009":"2360000.00","LongDNP_012":"3550000.00","LongDNP_011":"2780000.00","LongDNP_010":"2720000.00"},{"Metabolite":"CMP","LongDNP_008":"2070000.00","LongDNP_003":"4610000.00","LongDNP_002":"2280000.00","LongDNP_001":"1500000.00","LongDNP_006":"1830000.00","LongDNP_004":"2440000.00","LongDNP_005":"1850000.00","LongDNP_007":"2740000.00","LongDNP_009":"1830000.00","LongDNP_012":"2230000.00","LongDNP_011":"1690000.00","LongDNP_010":"2740000.00"},{"Metabolite":"CREATINE","LongDNP_008":"3780000000.00","LongDNP_003":"4000000000.00","LongDNP_002":"3910000000.00","LongDNP_001":"3790000000.00","LongDNP_006":"3810000000.00","LongDNP_004":"4040000000.00","LongDNP_005":"3900000000.00","LongDNP_007":"3800000000.00","LongDNP_009":"3790000000.00","LongDNP_012":"3700000000.00","LongDNP_011":"3850000000.00","LongDNP_010":"3930000000.00"},{"Metabolite":"Creatine-D3","LongDNP_008":"4840000.00","LongDNP_003":"4840000.00","LongDNP_002":"4380000.00","LongDNP_001":"5750000.00","LongDNP_006":"3960000.00","LongDNP_004":"4670000.00","LongDNP_005":"4700000.00","LongDNP_007":"4460000.00","LongDNP_009":"4600000.00","LongDNP_012":"3910000.00","LongDNP_011":"4150000.00","LongDNP_010":"4640000.00"},{"Metabolite":"CYS-GLY","LongDNP_008":"791000.00","LongDNP_003":"357000.00","LongDNP_002":"602000.00","LongDNP_001":"620000.00","LongDNP_006":"559000.00","LongDNP_004":"530000.00","LongDNP_005":"496000.00","LongDNP_007":"520000.00","LongDNP_009":"150000.00","LongDNP_012":"450000.00","LongDNP_011":"502000.00","LongDNP_010":"425000.00"},{"Metabolite":"CYTIDINE","LongDNP_008":"19300000.00","LongDNP_003":"15100000.00","LongDNP_002":"16900000.00","LongDNP_001":"18600000.00","LongDNP_006":"19700000.00","LongDNP_004":"18600000.00","LongDNP_005":"19100000.00","LongDNP_007":"17400000.00","LongDNP_009":"16100000.00","LongDNP_012":"15300000.00","LongDNP_011":"15000000.00","Lo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