{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000522","ANALYSIS_ID":"AN000797","VERSION":"1","CREATED_ON":"December 19, 2016, 10:24 am"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics profiling studies for snout bream fish","PROJECT_TYPE":"LC-MS analysis","PROJECT_SUMMARY":"Metabolomics profiling studies on plasma samples from three different blunt snout bream groups","INSTITUTE":"Huazhong Agricultural University, Wuhan","DEPARTMENT":"College of Fisheries","LABORATORY":"Key Lab of Freshwater Animal Breeding, Ministry of Agriculture","LAST_NAME":"Zhou","FIRST_NAME":"LaiFang","ADDRESS":"Hongshan, Wuhan, 430070 Hubei, China","EMAIL":"156851836@qq.com","PHONE":"15171617087"},

"STUDY":{"STUDY_TITLE":"Plasma metabolomics profiling for fish maturation in blunt snout bream","STUDY_TYPE":"Metabolomics experiment","STUDY_SUMMARY":"We investigated the comprehensive metabolic profiles of plasma among immature females, mature females ready to spawn, as well as already spawned breeders of blunt snout bream (Megalobrama amblycephala). The purpose of this study was to screen out potential biomarkers for sexual mature female M. amblycephala compared to immature female individuals and already spawned breeders. The three groups were set up in this study, including one year old immature females, 2 years old sexually mature females ready to spawning and successfully spawning females of M. amblycephala. The plasma samples were collected to investigate the comprehensive metabolic profiles through UPLC-MS/MS based metabolomics analysis method. According to multivariate and univariate statistical analysis, plasma metabolite profiles of three groups were obviously separated, and the plasma metabolite profiles of immature female M. amblycephala were much more different from mature females ready to spawn as well as already spawned breeders. The differential plasma metabolites from three hormone related pathways including GnRH signaling pathway, steroid hormone biosynthesis and steroid biosynthesis, were further analyzed. A total of 29 metabolites were identified as differential biomarkers associated with the female maturation status","INSTITUTE":"Huazhong Agricultural University, Wuhan","DEPARTMENT":"College of Fisheries","LABORATORY":"Key Lab of Freshwater Animal Breeding, Ministry of Agriculture","LAST_NAME":"Zhou","FIRST_NAME":"LaiFang","ADDRESS":"Hongshan, Wuhan, 430070 Hubei, China","EMAIL":"156851836@qq.com","PHONE":"15171617087"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Megalobrama amblycephala","TAXONOMY_ID":"75352"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"P1503530001",
"Sample ID":"20150724_YU_2_1_1",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530002",
"Sample ID":"20150724_YU_2_1_2",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530003",
"Sample ID":"20150724_YU_2_1_3",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530004",
"Sample ID":"20150724_YU_2_1_4",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530005",
"Sample ID":"20150724_YU_2_1_5",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530006",
"Sample ID":"20150724_YU_2_1_6",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530007",
"Sample ID":"20150724_YU_2_1_7",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530008",
"Sample ID":"20150724_YU_2_1_8",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530009",
"Sample ID":"20150724_YU_2_1_9",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530010",
"Sample ID":"20150724_YU_2_1_10",
"Factors":{"Phenotype":"2 years old sexually mature  without hormone treatment"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530011",
"Sample ID":"20150724_YU_2_2_1",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530012",
"Sample ID":"20150724_YU_2_2_2",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530013",
"Sample ID":"20150724_YU_2_2_3",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530014",
"Sample ID":"20150724_YU_2_2_4",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530015",
"Sample ID":"20150724_YU_2_2_5",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530016",
"Sample ID":"20150724_YU_2_2_6",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530017",
"Sample ID":"20150724_YU_2_2_11",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530018",
"Sample ID":"20150724_YU_2_2_8",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530019",
"Sample ID":"20150724_YU_2_2_9",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530020",
"Sample ID":"20150724_YU_2_2_10",
"Factors":{"Phenotype":"2 years old sexually mature  after successfully spawning"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530021",
"Sample ID":"20150724_YU_1_1_1",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530022",
"Sample ID":"20150724_YU_1_1_3",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530023",
"Sample ID":"20150724_YU_1_1_5",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530024",
"Sample ID":"20150724_YU_1_1_6",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530025",
"Sample ID":"20150724_YU_1_1_9",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530026",
"Sample ID":"20150724_YU_1_1_10",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530027",
"Sample ID":"20150724_YU_1_1_11",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530028",
"Sample ID":"20150724_YU_1_1_12",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530029",
"Sample ID":"20150724_YU_1_1_14",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
},
{
"Subject ID":"P1503530030",
"Sample ID":"20150724_YU_1_1_22",
"Factors":{"Phenotype":"1 year old immature"},
"Additional sample data":{"gender":"female"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"About 2 ml of blood was collected via caudal vein by syringe for each female M.amblycephala and then directly put into K3 EDTA centrifuge tube.","COLLECTION_PROTOCOL_FILENAME":"Zhou999_20161213_161728_PR_CO_collection_files.docx","SAMPLE_TYPE":"Plasma"},

"TREATMENT":{"TREATMENT_SUMMARY":"The blood was centrifuged at 4000 rpm for 5 min at 4°C as soon as it was extracted from fish and about 1 ml supernatant was pipetted into another tube.The extracted plasma samples were then frozen in liquid nitrogen immediately and stored in the -80°C."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"To initiate the experiment, each plasma sample was mixed with the same volume and labeled as Quality control (QC) sample. Plasma sample (100 µl, including QC sample) was added into new Eppendorf tube with ice-cold methanol (300 µl), vortex mixing for 1 min, standing for 1 min, and make sure the solution volume had no obvious observable difference. Then samples were precipitated for 20 min at -20°C, and centrifuged at 14000 rpm for 20 min at 4°C to precipitate the proteins. A total of 250 µl of protein free supernatant was collected and dried with nitrogen at 37°C. The concentration of extractant was diluted depending on the mass spectrum response signals.","SAMPLEPREP_PROTOCOL_FILENAME":"Zhou999_20161213_161728_PR_SP_sampleprep.docx"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Chromatographic separation was performed on a ACQUITY UPLC BEH C18 analytical column (100×2.1 mm, 1.7 µm, Waters, Milford, USA) using a 2777C UPLC system (Waters). The flow rate was 0.40 mL/min and the mobile phase was composed of solvents A (95% H2O/5% acetonitrile + 0.1% formic acid) and B (95% acetonitrile/5% H2O＋0.1% formic acid).The gradient program was optimized as follows: 0–0.1 min, 100% A; 0.1–0.6 min, 100% A-50% A; 0.6–5 min, 50%–0% A; 5–8 min, 0% A; 8–10 min, 0% A-100% A. Injection volume was 10 µl. The eluent from the column was directly added in to the mass spectrometer without split.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters 2777C","COLUMN_NAME":"Waters Acquity BEH C18 (150 x 2mm, 1.7um)","FLOW_GRADIENT":"100% acetonitrile","FLOW_RATE":"0.40 mL/min","SOLVENT_A":"95% H2O/5% acetonitrile + 0.1% formic acid","SOLVENT_B":"95% acetonitrile/5% H2O＋0.1% formic acid"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Waters Synapt G2 XS QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"peak intensity",

"Data":[{"Metabolite":"Arachidonic acid","20150724_YU_2_1_1":"7523746.354","20150724_YU_2_1_2":"23565823.41","20150724_YU_2_1_3":"41911623.04","20150724_YU_2_1_4":"7852764.154","20150724_YU_2_1_5":"39294814.47","20150724_YU_2_1_6":"5019241.148","20150724_YU_2_1_7":"27726491.11","20150724_YU_2_1_8":"56792303.46","20150724_YU_2_1_9":"47075265.48","20150724_YU_2_1_10":"8284981.321","20150724_YU_1_1_1":"3371212.313","20150724_YU_1_1_3":"2000878.341","20150724_YU_1_1_5":"5965113.827","20150724_YU_1_1_6":"12962714.17","20150724_YU_1_1_10":"1455682.557","20150724_YU_1_1_11":"1192113.755","20150724_YU_1_1_12":"1355709.436","20150724_YU_1_1_14":"1570691.949","20150724_YU_1_1_22":"16996488.11","20150724_YU_2_2_1":"5063294.162","20150724_YU_2_2_2":"21302274.63","20150724_YU_2_2_3":"24860320.91","20150724_YU_2_2_4":"4196012.182","20150724_YU_2_2_5":"16157518.8","20150724_YU_2_2_6":"2964570.555","20150724_YU_2_2_11":"8157857.514","20150724_YU_2_2_8":"52504349.74","20150724_YU_2_2_9":"12147604.82","20150724_YU_2_2_10":"3683813.586"},{"Metabolite":"Testosterone 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}