{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000237","ANALYSIS_ID":"AN000363","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Quick Comparison of Metabolites in Human and Rats of Different Sex by UPLC-TOFMS and In-house Software Platform_2","PROJECT_TYPE":"Biomarker Discovery","PROJECT_SUMMARY":"Metabolite difference between sexes has rarely been observed in global manner. this study, untargeted UPLC-TOFMS and an in-house software platform were used quick comparison of sex difference of urinary metabolites in human, and of and serum metabolites in SD rats. In addition, as a convenient opportunity, the difference of urinary metabolites between human and SD rats were also observed. urine samples were collected before breakfast from 14 male and 13 female post-graduate students, age from 23 to 29, on the morning of sample collection Male (n=8) and female (n=8) SD rats weighing between 220 and 250g were used. On morning of sample collection day, each rat was deprived of food and put in cage for 24h urine collection. Then a blood sample (3-5ml) was collected from aorta of the rat under anesthesia and centrifuged to obtain serum. All urine serum samples were frozen at -80°C prior to analysis. The study of sex is important for finding the best course of treatment of disease as well as for novel targets of therapy. A more complete understanding of the metabolic across sex-based subgroups is helpful to improve the mechanistic understanding sex differences.","INSTITUTE":"Beijing Institute of Radiation Medicine","DEPARTMENT":"Department of Pharmacology and Toxicology","LAST_NAME":"Liang","FIRST_NAME":"Qiande","ADDRESS":"27 Taiping Road, Beijing, P.R.China","EMAIL":"liangqiande@yeah.net","PHONE":"-"},

"STUDY":{"STUDY_TITLE":"Quick Comparison of Serum Metabolites in SD Rats of Different Sex by Untargeted and In-house Software Platform","STUDY_TYPE":"Biomarker Discovery","STUDY_SUMMARY":"Male (n=8) and female (n=8) SD rats weighing between 220 and 250g were used. On morning of sample collection day, each rat was deprived of food and put in cage for 24h urine collection. Then a blood sample (3-5ml) was collected from aorta of the rat under anesthesia and centrifuged to obtain serum. All urine serum samples were frozen at -80°C prior to analysis.","INSTITUTE":"Beijing Institute of Radiation Medicine","DEPARTMENT":"Department of Pharmacology and Toxicology","LAST_NAME":"Liang","FIRST_NAME":"Qiande","ADDRESS":"27 Taiping Road, Beijing, P.R.China","EMAIL":"liangqiande@yeah.net","PHONE":"-","NUM_GROUPS":"2","TOTAL_SUBJECTS":"16"},

"SUBJECT":{"SUBJECT_TYPE":"Animal","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116","GENOTYPE_STRAIN":"Sprague-Dawley rat","WEIGHT_OR_WEIGHT_RANGE":"220-250g","GENDER":"Male/Female","ANIMAL_HOUSING":"pathogen-free animal facility","ANIMAL_LIGHT_CYCLE":"12h light/dark cycle","ANIMAL_FEED":"free access to standard food","ANIMAL_WATER":"free access to water"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"FemaleRat1",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"FemaleRat2",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"FemaleRat3",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"FemaleRat4",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"FemaleRat5",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"FemaleRat6",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"FemaleRat7",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"FemaleRat8",
"Factors":{"":"Female"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat1",
"Factors":{"":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat2",
"Factors":{"":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat3",
"Factors":{"":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat4",
"Factors":{"":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat5",
"Factors":{"":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat6",
"Factors":{"":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat7",
"Factors":{"":"Male"}
},
{
"Subject ID":"-",
"Sample ID":"MaleRat8",
"Factors":{"":"Male"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood sample (3-5ml) was collected from the aorta of the rat under anesthesia centrifuged to obtain serum","COLLECTION_PROTOCOL_FILENAME":"1_COL_PROT.pdf","SAMPLE_TYPE":"Serum","COLLECTION_METHOD":"Blood sample (3-5ml) was collected from the aorta of the rat under anesthesia centrifuged to obtain serum","COLLECTION_LOCATION":"Lab","COLLECTION_FREQUENCY":"Once","COLLECTION_DURATION":"About 10~60 seconds","VOLUMEORAMOUNT_COLLECTED":"3-5ml","STORAGE_CONDITIONS":"-80°C","COLLECTION_VIALS":"15ml Polypropylene tube","STORAGE_VIALS":"1.5ml Eppendorf vial","COLLECTION_TUBE_TEMP":"Room tempreture","BLOOD_SERUM_OR_PLASMA":"Serum"},

"TREATMENT":{"TREATMENT_SUMMARY":"On the morning of sample collection day, each rat was deprived of food and put metabolic cage for 24h urine collection. Then a blood sample (3-5ml) was from the aorta of the rat under anesthesia and centrifuged to obtain serum. All and serum samples were frozen at -80°C prior to analysis.","TREATMENT":"Intervention","TREATMENT_ROUTE":"Stay in metabolic cage for 24h urine collection","ANIMAL_ANESTHESIA":"Anesthesia using Pentobarbital Sodium","ANIMAL_ACCLIMATION_DURATION":"?3 days","ANIMAL_FASTING":"24h","ANIMAL_ENDP_EUTHANASIA":"Died in anesthesia status","ANIMAL_ENDP_TISSUE_COLL_LIST":"Blood","ANIMAL_ENDP_CLINICAL_SIGNS":"Died"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Amygdalin was dissolved in acetonitrile-water(1:1) to form 0.1mg/ml solution. samples were unfrozen at room temperature. 500?l of serum sample was mixed with Amygdalin solution and 100?l 20% Trichloroacetic acid(TCA) solution. After at about 14000rpm and -4?, the supernatant was injected into UPLC-TOF MS","SAMPLEPREP_PROTOCOL_FILENAME":"2_PRE_PROT.pdf","PROCESSING_METHOD":"Precipitation","PROCESSING_STORAGE_CONDITIONS":"Precipitation at room tempreture; centrifugation at  -4?","EXTRACTION_METHOD":"Precipitation by TCA","EXTRACT_STORAGE":"4? after centrifugation and during analysis","SAMPLE_SPIKING":"20?l Amygdalin solution/620?l"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Untargeted UPLC-TOFMS","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity of a binary solvent manager and a sample manager, a Waters SYNAPT HDMS time-of-flight (TOF) mass spectrometer and an analytical workstation with MassLynx 4.1 software were used.","COLUMN_NAME":"Waters Acquity HSS T3 (100 x 2.1mm, 1.8um) T3 guard column","METHODS_FILENAME":"3_CHR_PROT.pdf","COLUMN_TEMPERATURE":"24?","FLOW_GRADIENT":"Isocratic 2% B (01 min), linear gradient from 2% to 5% B (12 min), 5% to 12% B min), 12% to 20% B (510 min), 20% to 30% B (1012 min), 30% to 50% B (1213 min), to 100% B (1315 min), isocratic 100% B for 1min, then back to 2% B in 1 min and 2% B for 3min before next run","FLOW_RATE":"0.5 ml/min","INJECTION_TEMPERATURE":"24?","INTERNAL_STANDARD":"Amygdalin","SAMPLE_INJECTION":"8?L","SAMPLING_CONE":"40V","SOLVENT_A":"Water containing 0.1% formic acid","SOLVENT_B":"Acetonitrile containing 0.1% formic acid","ANALYTICAL_TIME":"20min","CAPILLARY_VOLTAGE":"Positive ion mode:3kV; Negative ion mode: 2.9kV"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Laboratory of Pharmacology and Toxicology of TCM","ACQUISITION_DATE":"40960","ACQUISITION_PARAMETERS_FILE":"Inlet_Method_File_Name:_20100505;_Positive_MS_Mehod_File_Name:_20120221_pos_50-1500;","SOFTWARE_VERSION":"MassLynx/4.1; MarkerLynx XS; Searcher/1.0; HMDB2.0 Derived m/z Database/1.0","OPERATOR_NAME":"Qiande Liang; Liang Yang; Wangyuanjun Xu","PROCESSING_PARAMETERS_FILE":"TR_0-18_50-1500_005_020_YES6_YES.mlm","DETECTOR_TYPE":"Electrospray Iionization Source/Quadrupole/Time of Flight Mass Spectrometer"},

"MS":{"INSTRUMENT_NAME":"Waters Synapt-HDMS","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","CAPILLARY_VOLTAGE":"3kV","COLLISION_ENERGY":"6V (trap)/4V (transfer)","COLLISION_GAS":"Ar","DRY_GAS_FLOW":"900 L/h","DRY_GAS_TEMP":"450?","ION_SOURCE_TEMPERATURE":"100?","IONIZATION":"ESI","SOURCE_TEMPERATURE":"100?","DESOLVATION_GAS_FLOW":"900 L/h","DESOLVATION_TEMPERATURE":"450?","MS_COMMENTS":"LCMS Positive ion mode (Rat:M/F)"},

"MS_METABOLITE_DATA":{
"Units":"Peak Height",

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