{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000164","ANALYSIS_ID":"AN000257","VERSION":"1","CREATED_ON":"2016-09-17"},

"PROJECT":{"PROJECT_TITLE":"Bone marrow metabolomics of MKR mice under metformin treatment","PROJECT_TYPE":"Untargeted Metabolomics on metformin responses in bone marrows of diabetic mice","PROJECT_SUMMARY":"-","INSTITUTE":"New York University","DEPARTMENT":"College of Dentistry, Basic Science and Craniofacial Biology","LABORATORY":"Xin Li Laboratory","LAST_NAME":"Xin","FIRST_NAME":"Li","ADDRESS":"345 East 24th Street, Room 901D, New York, NY 10010","EMAIL":"xl15@nyu.edu","PHONE":"1-(212)992-7009","FUNDING_SOURCE":"NIH grants R01CA180277, CA172894, 5R01GM06248012-12, NIDDK grant California Institute for Regenerative Medicine grant RB4-06087."},

"STUDY":{"STUDY_TITLE":"Metabolomic analysis of normal and diabetic mouse bone marrow under PBS or treatment","STUDY_TYPE":"Untargeted Metabolomics","STUDY_SUMMARY":"Wild type and diabetic (MKR) mice were treated daily with intraperitoneal of 50 microliters of PBS (control) or metformin (200 mg/kg body weight) for 14 Their bone marrow cells were collected and compared by untargeted metabolomics.","INSTITUTE":"New York University","DEPARTMENT":"College of Dentistry, Basic Science and Craniofacial Biology","LABORATORY":"Xin Li Laboratory","LAST_NAME":"Xin","FIRST_NAME":"Li","ADDRESS":"345 East 24th Street, Room 901D, New York, NY 10010","EMAIL":"xl15@nyu.edu","PHONE":"1-(212)992-7009","NUM_GROUPS":"4","TOTAL_SUBJECTS":"15 samples","STUDY_COMMENTS":"each sample with 3 technical replicates in each mode"},

"SUBJECT":{"SUBJECT_TYPE":"Human;Animal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"FVB (wild type)|MKR (FVB background)","AGE_OR_AGE_RANGE":"12 week old|12 week old","GENDER":"male|male","ANIMAL_ANIMAL_SUPPLIER":"JAX lab|LeRoith laboratory"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"MKRM1",
"Factors":{"Mice health condition":"MKR","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"MKRM2",
"Factors":{"Mice health condition":"MKR","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"MKRM3",
"Factors":{"Mice health condition":"MKR","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP1",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP2",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP3",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"MKRP4",
"Factors":{"Mice health condition":"MKR","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTM1",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTM2",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTM3",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTM4",
"Factors":{"Mice health condition":"wild type","Treatment":"Metformin"}
},
{
"Subject ID":"-",
"Sample ID":"WTP1",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTP2",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTP3",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
},
{
"Subject ID":"-",
"Sample ID":"WTP4",
"Factors":{"Mice health condition":"wild type","Treatment":"PBS buffer"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-","COLLECTION_PROTOCOL_FILENAME":"Protocol_Methods_metformin_Li.pdf","SAMPLE_TYPE":"total bone marrow flush (cells)","STORAGE_CONDITIONS":"-20°C"},

"TREATMENT":{"TREATMENT_SUMMARY":"-","TREATMENT":"abiotic","TREATMENT_COMPOUND":"metformin","TREATMENT_ROUTE":"Intraperitoneal injection","TREATMENT_DOSE":"200 mg/kg body weight","TREATMENT_DOSEVOLUME":"50 microliters","TREATMENT_DOSEDURATION":"daily for 14 days","TREATMENT_VEHICLE":"phosphate buffered solution"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Frozen cells were mixed with dry ice-cool 80% methanol (mass-spec grade) at a of 30 ?L/million cells, and then quickly thawed on heat block set at 50 °C for min. The suspension was then processed by three rounds of 1 min vortex at max chilled briefly on dry ice. The mixture was incubated at 4°C for 1 hour before at 20,000 x g for 20 min at 4 °C. The supernatant was stored at -20 °C and as metabolite extract for LC-MS analysis.","SAMPLEPREP_PROTOCOL_FILENAME":"Protocol_Methods_metformin_Li.pdf","PROCESSING_METHOD":"Homogenization and Centrifugation","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"80% Methanol","EXTRACT_STORAGE":"-20°C","CELL_TYPE":"bone marrow"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Untarged mix-mode method","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Exactive","COLUMN_NAME":"Shodex ODP2 HP-4B 5um polymer 4.6 x 50 mm","COLUMN_PRESSURE":"150 Bar (Max)","COLUMN_TEMPERATURE":"45","FLOW_GRADIENT":"0-15 min -1% B, 15-19 min- gradient 1 to 99% B, 18-24 min- 99% B, 24-25 99% to 1% B, 25-30 min-1% B","FLOW_RATE":"0.1 ml/min","INJECTION_TEMPERATURE":"4 C","SAMPLE_INJECTION":"5 uL","SOLVENT_A":"10% Acetonitrile + 10 mM NH4OAc + 10 mM Acetic acid (positive) or 10 mM NH3.H2O","SOLVENT_B":"90% Acetonitrile + 10 mM NH4OAc + 10 mM Acetic acid (positive) or 10 mM NH3.H2O","ANALYTICAL_TIME":"30 min","CAPILLARY_VOLTAGE":"3.5 kv (positive), 3.1 kv (negative)","TRANSFERLINE_TEMPERATURE":"275C","WASHING_BUFFER":"10% Acetonitrile","WEAK_WASH_SOLVENT_NAME":"10% Acetonitrile","WEAK_WASH_VOLUME":"600 uL","STRONG_WASH_SOLVENT_NAME":"90% Acetonitrile","STRONG_WASH_VOLUME":"200 uL","SAMPLE_LOOP_SIZE":"20 uL"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Snyder Laboratory","ACQUISITION_DATE":"41776","SOFTWARE_VERSION":"Xcalibur v2.1","OPERATOR_NAME":"Xiyan Li","DATA_FORMAT":".RAW"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","CAPILLARY_TEMPERATURE":"30V","COLLISION_GAS":"40 units","ION_SOURCE_TEMPERATURE":"3.1 kv","ION_SPRAY_VOLTAGE":"Electrospray Ionization","IONIZATION_POTENTIAL":"< 4 ppm","ATOM_GUN_CURRENT":"3000000","SAMPLE_DRIPPING":"75-1200","SCANNING_RANGE":"20 v","SKIMMER_VOLTAGE":"120 v","MS_COMMENTS":"negative mode"},

"MS_METABOLITE_DATA":{
"Units":"Peak area",

"Data":[{"Metabolite":"2-(a-D-Mannosyl)-3-phosphoglycerate","MKRM1":"9402.6926","MKRM2":"16128.8587","MKRM3":"39352.2893","MKRP1":"20481.5499","MKRP2":"25658.5005","MKRP3":"43742.8799","MKRP4":"64069.1223","WTM1":"20299.8758","WTM2":"31915.7694","WTM3":"22230.5811","WTM4":"40643.6747","WTP1":"35376.7601","WTP2":"26326.4270","WTP3":"24483.9139","WTP4":"61070.0598"},{"Metabolite":"2-Keto-glutaramic acid","MKRM1":"14411.3012","MKRM2":"13409.5270","MKRM3":"11760.8486","MKRP1":"15407.1362","MKRP2":"13959.0931","MKRP3":"12993.3753","MKRP4":"12862.4258","WTM1":"16352.1908","WTM2":"14702.3795","WTM3":"19820.7248","WTM4":"13947.5969","WTP1":"17396.2014","WTP2":"15273.7367","WTP3":"16643.8418","WTP4":"20793.3060"},{"Metabolite":"3-Hydroxy-L-proline","MKRM1":"69634.6999","MKRM2":"90493.7663","MKRM3":"125882.9304","MKRP1":"62517.9694","MKRP2":"102224.2601","MKRP3":"112931.7889","MKRP4":"235666.1507","WTM1":"123001.6760","WTM2":"157945.9273","WTM3":"78662.6615","WTM4":"140589.7052","WTP1":"110255.2467","WTP2":"127523.0933","WTP3":"108620.5005","WTP4":"236000.3450"},{"Metabolite":"3-Indoleacetic Acid","MKRM1":"6644.6141","MKRM2":"7659.1412","MKRM3":"7247.3000","MKRP1":"4934.3821","MKRP2":"5491.3343","MKRP3":"6760.8578","MKRP4":"6698.3859","WTM1":"2545.9419","WTM2":"5478.6105","WTM3":"7016.5286","WTM4":"5327.6983","WTP1":"4392.0908","WTP2":"6633.4882","WTP3":"7981.4607","WTP4":"6802.0598"},{"Metabolite":"3-methyl pyruvic acid","MKRM1":"203271.5490","MKRM2":"78540.4978","MKRM3":"103330.2875","MKRP1":"66447.0530","MKRP2":"112983.3839","MKRP3":"174843.3555","MKRP4":"181607.3756","WTM1":"83277.5579","WTM2":"116158.7908","WTM3":"104348.1327","WTM4":"134168.2436","WTP1":"210102.9234","WTP2":"130294.4872","WTP3":"319124.0177","WTP4":"173508.3014"},{"Metabolite":"4-Hydroxypyridine","MKRM1":"7555.4540","MKRM2":"5814.6070","MKRM3":"9664.5823","MKRP1":"7615.8706","MKRP2":"6377.9755","MKRP3":"6260.5047","MKRP4":"7152.8708","WTM1":"9472.8717","WTM2":"9048.9350","WTM3":"7642.5653","WTM4":"9755.1149","WTP1":"6540.6200","WTP2":"8354.1626","WTP3":"10282.9737","WTP4":"6690.6613"},{"Metabolite":"5-Aminoimidazole-4-carboxamide","MKRM1":"68310.0920","MKRM2":"1729.7480","MKRM3":"44630.4193","MKRP1":"67046.8730","MKRP2":"41614.8357","MKRP3":"22200.0882","MKRP4":"1598.1330","WTM1":"47312.8123","WTM2":"43789.6285","WTM3":"1663.2143","WTM4":"1507.8290","WTP1":"41865.9882","WTP2":"1970.1781","WTP3":"23471.0293","WTP4":"45800.2274"},{"Metabolite":"Aconitic acid","MKRM1":"38803.1331","MKRM2":"29493.5667","MKRM3":"27419.3663","MKRP1":"30295.6035","MKRP2":"67863.0378","MKRP3":"74599.6162","MKRP4":"62620.9285","WTM1":"60973.5325","WTM2":"17210.4873","WTM3":"32439.9676","WTM4":"31120.7301","WTP1":"28631.5070","WTP2":"35684.7761","WTP3":"20225.9665","WTP4":"105954.2214"},{"Metabolite":"Adenine","MKRM1":"134362.9440","MKRM2":"93533.8405","MKRM3":"87453.9974","MKRP1":"64840.1707","MKRP2":"126848.6973","MKRP3":"162555.8682","MKRP4":"72836.5336","WTM1":"97085.8922","WTM2":"132669.4857","WTM3":"94419.0474","WTM4":"165835.8194","WTP1":"129527.0367","WTP2":"183857.6533","WTP3":"53617.8442","WTP4":"293769.4644"},{"Metabolite":"Adenosine","MKRM1":"20701.6657","MKRM2":"14756.2548","MKRM3":"10214.5276","MKRP1":"8849.7914","MKRP2":"19481.6262","MKRP3":"25869.2210","MKRP4":"7566.8380","WTM1":"16447.9306","WTM2":"20751.9569","WTM3":"12120.5248","WTM4":"26252.2849","WTP1":"18550.7143","WTP2":"34512.1977","WTP3":"6565.3762","WTP4":"61492.5311"},{"Metabolite":"ADMA","MKRM1":"24755.0157","MKRM2":"24617.2186","MKRM3":"26368.7700","MKRP1":"25425.8510","MKRP2":"27537.7652","MKRP3":"23891.9129","MKRP4":"27085.1467","WTM1":"24278.7126","WTM2":"7797.0225","WTM3":"23519.0374","WTM4":"25694.0915","WTP1":"28290.7488","WTP2":"27329.5596","WTP3":"24340.4075","WTP4":"1740.9778"},{"Metabolite":"ADP","MKRM1":"13645.4634","MKRM2":"13250.7786","MKRM3":"12453.7635","MKRP1":"7167.0395","MKRP2":"15436.5910","MKRP3":"21088.5035","MKRP4":"26354.6870","WTM1":"5790.6970","WTM2":"19136.0962","WTM3":"9339.6082","WTM4":"14842.9493","WTP1":"27856.7011","WTP2":"23800.4416","WTP3":"7358.0062","WTP4":"44141.3634"},{"Metabolite":"Alanine","MKRM1":"212733.0408","MKRM2":"231220.6649","MKRM3":"384958.8718","MKRP1":"94549.7550","MKRP2":"417929.6682","MKRP3":"472819.2065","MKRP4":"713826.2323","WTM1":"245901.3477","WTM2":"868654.1105","WTM3":"297612.2566","WTM4":"397084.8259","WTP1":"302690.0090","WTP2":"348326.5209","WTP3":"306689.2584","WTP4":"1075732.6699"},{"Metabolite":"Aminobutyric acid","MKRM1":"766216.1216","MKRM2":"798456.4389","MKRM3":"1368692.2031","MKRP1":"763365.1626","MKRP2":"980606.2284","MKRP3":"1111749.8385","MKRP4":"1410484.2813","WTM1":"815400.2300","WTM2":"1155800.8110","WTM3":"840936.2825","WTM4":"936865.7681","WTP1":"1286092.2126","WTP2":"1281906.3531","WTP3":"841491.9611","WTP4":"1437495.2667"},{"Metabolite":"Aminolevulinic Acid","MKRM1":"78289.6290","MKRM2":"64183.2848","MKRM3":"83436.1785","MKRP1":"47457.3296","MKRP2":"85207.2084","MKRP3":"91150.4526","MKRP4":"152030.8385","WTM1":"60744.6756","WTM2":"172108.6608","WTM3":"83565.9924","WTM4":"121717.3051","WTP1":"114299.8061","WTP2":"129663.1081","WTP3":"71330.9756","WTP4":"191580.7665"},{"Metabolite":"AMP","MKRM1":"213694.0316","MKRM2":"296454.1588","MKRM3":"223849.8058","MKRP1":"150032.7655","MKRP2":"359049.8232","MKRP3":"385350.0468","MKRP4":"234376.3714","WTM1":"204173.7670","WTM2":"295290.2626","WTM3":"214672.0311","WTM4":"399676.7835","WTP1":"427805.4691","WTP2":"348267.5892","WTP3":"151965.0390","WTP4":"517180.9143"},{"Metabolite":"Arachidonic Acid","MKRM1":"55105.5777","MKRM2":"189351.1080","MKRM3":"753948.7798","MKRP1":"55665.3132","MKRP2":"234256.1826","MKRP3":"237759.9255","MKRP4":"1330907.1227","WTM1":"160282.1732","WTM2":"1024825.4788","WTM3":"225599.0004","WTM4":"262418.4422","WTP1":"260725.9783","WTP2":"418443.2044","WTP3":"482752.6663","WTP4":"943101.0854"},{"Metabolite":"Arginine","MKRM1":"20472.8392","MKRM2":"33257.6968","MKRM3":"147767.6821","MKRP1":"18735.3689","MKRP2":"89422.9222","MKRP3":"120832.0183","MKRP4":"311716.5380","WTM1":"75214.1415","WTM2":"301467.7218","WTM3":"70053.3186","WTM4":"111090.3977","WTP1":"72986.2710","WTP2":"62550.4492","WTP3":"137032.5734","WTP4":"319315.4247"},{"Metabolite":"Ascorbic acid","MKRM1":"5101.6087","MKRM2":"4774.9852","MKRM3":"7258.4304","MKRP1":"10762.1395","MKRP2":"10754.4643","MKRP3":"10123.4580","MKRP4":"952075.8415","WTM1":"8112.6432","WTM2":"6956.6373","WTM3":"9034.0047","WTM4":"18707.9912","WTP1":"7423.3141","WTP2":"8087.5001","WTP3":"16996.4861","WTP4":"791032.6301"},{"Metabolite":"Asparagine","MKRM1":"18784.3978","MKRM2":"28538.2963","MKRM3":"47142.7967","MKRP1":"19483.4997","MKRP2":"38939.8585","MKRP3":"52364.8447","MKRP4":"91466.3036","WTM1":"41926.6926","WTM2":"91346.7619","WTM3":"35601.1031","WTM4":"48888.6435","WTP1":"40673.8796","WTP2":"41641.9538","WTP3":"51966.6854","WTP4":"125974.1966"},{"Metabolite":"Aspartate","MKRM1":"486927.5691","MKRM2":"620225.7549","MKRM3":"767194.7073","MKRP1":"491377.6388","MKRP2":"866578.4533","MKRP3":"947255.6806","MKRP4":"1936399.0423","WTM1":"793951.6299","WTM2":"1490067.8120","WTM3":"873211.4451","WTM4":"1175809.0210","WTP1":"941075.9640","WTP2":"1039716.6367","WTP3":"820739.8495","WTP4":"2251422.7723"},{"Metabolite":"Aspartic acid b-semialdehyde","MKRM1":"14628.7841","MKRM2":"17175.8744","MKRM3":"14380.7707","MKRP1":"14279.1680","MKRP2":"9856.6240","MKRP3":"16960.7706","MKRP4":"20188.4058","WTM1":"18189.6250","WTM2":"17800.3004","WTM3":"12577.5988","WTM4":"13725.8415","WTP1":"15715.3810","WTP2":"14316.0366","WTP3":"16341.4845","WTP4":"13002.9674"},{"Metabolite":"Butyric acid","MKRM1":"655510.4671","MKRM2":"1088888.6553","MKRM3":"675512.4406","MKRP1":"439952.9263","MKRP2":"725017.9968","MKRP3":"656006.6504","MKRP4":"1092355.5459","WTM1":"707151.8255","WTM2":"764660.8697","WTM3":"399536.4158","WTM4":"647898.0072","WTP1":"700188.5161","WTP2":"216604.5275","WTP3":"740406.9047","WTP4":"1165302.6267"},{"Metabolite":"Cinnamic acid","MKRM1":"970115.9720","MKRM2":"9985.3965","MKRM3":"32921.8928","MKRP1":"4717.3218","MKRP2":"21784.0014","MKRP3":"28330.8035","MKRP4":"55171.8816","WTM1":"14152.3246","WTM2":"68058.1176","WTM3":"18928.5251","WTM4":"23381.6479","WTP1":"12657.2376","WTP2":"16636.8913","WTP3":"21255.4820","WTP4":"60350.6431"},{"Metabolite":"Citric acid","MKRM1":"1669529.4027","MKRM2":"1590309.6773","MKRM3":"1900953.5690","MKRP1":"1159491.2953","MKRP2":"3779250.6750","MKRP3":"4001709.9807","MKRP4":"4303365.3553","WTM1":"2107453.2283","WTM2":"1598667.8753","WTM3":"1488674.3137","WTM4":"1796283.8907","WTP1":"1509117.6813","WTP2":"1825867.3727","WTP3":"1047209.2049","WTP4":"6272779.8793"},{"Metabolite":"Citrulline","MKRM1":"5847.7133","MKRM2":"7010.7925","MKRM3":"4528.1701","MKRP1":"7638.2317","MKRP2":"2570.8373","MKRP3":"5054.1995","MKRP4":"4192.3595","WTM1":"7116.4073","WTM2":"7637.1790","WTM3":"7863.3739","WTM4":"7731.7368","WTP1":"7203.1551","WTP2":"8503.6800","WTP3":"7678.0500","WTP4":"8148.5883"},{"Metabolite":"CMP","MKRM1":"43733.5075","MKRM2":"36655.4725","MKRM3":"110926.6943","MKRP1":"28018.8908","MKRP2":"64760.3124","MKRP3":"122715.0467","MKRP4":"96273.2397","WTM1":"31827.3990","WTM2":"56994.5175","WTM3":"40214.0419","WTM4":"82400.1604","WTP1":"31037.8442","WTP2":"30528.3324","WTP3":"55892.7688","WTP4":"74457.7257"},{"Metabolite":"Coumaric 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