{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000293","ANALYSIS_ID":"AN000469","VERSION":"1","CREATED_ON":"December 27, 2015, 2:53 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolite profiling before and after vitamin B6 supplementation","PROJECT_SUMMARY":"Vitamin B6 Effects on one-carbon metabolism","INSTITUTE":"University of Florida","DEPARTMENT":"Food Science and Human Nutrition","LABORATORY":"Dr. Jesse Gregory","LAST_NAME":"Gregory","FIRST_NAME":"Jesse","ADDRESS":"--","EMAIL":"jfgy@ufl.edu","PHONE":"352-392-1991 ext 225"},

"STUDY":{"STUDY_TITLE":"Vitamin B6 Effects on one-carbon metabolism","STUDY_TYPE":"Before-and-after","STUDY_SUMMARY":"Vitamin B6 supplementation with 10 mg/d pyridoxine-HCl for 28-d was given to oral contraceptive (OC) users who initially had vitamin B6 deficiency (PLP < 30 nmol/L). Samples are analyzed before and after supplementation. In addition samples from OC users with low (PLP < 30 nmol/L) , middle (PLP 31-99 nmol/L) and high (PLP > 100 nmol/L) vitamin B6 concentration are compared.","INSTITUTE":"University of Florida","DEPARTMENT":"SECIM","LABORATORY":"Food Science and Human Nutrition","LAST_NAME":"Gregory","FIRST_NAME":"Jesse","ADDRESS":"--","EMAIL":"jfgy@ufl.edu","PHONE":"352-392-1991 ext 225","NUM_GROUPS":"3","TOTAL_SUBJECTS":"72"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","SUBJECT_COMMENTS":"Gregory_SECIM_Subjects_20150313.txt"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"184606",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"184721",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"185631",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"186373",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"197265",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"200433",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"202463",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"203581",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"208554",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"209828",
"Factors":{"B6 Status":"Low","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"193152",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"198715",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"199899",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"193557",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"201440",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"200912",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"208767",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"209363",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"212837",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"214460",
"Factors":{"B6 Status":"Low","B6 Supplementation":"Before"}
},
{
"Subject ID":"-",
"Sample ID":"181749",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"210190",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"184673",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"190182",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"193029",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"195024",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"196356",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"196557",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"210166",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"203115",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"197075",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"197255",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"197747",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"198028",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"198557",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"200037",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"200967",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"202761",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"202317",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"200215",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"203245",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"203440",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"203777",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"203868",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"207787",
"Factors":{"B6 Status":"Medium","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"181435",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"181896",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"182346",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"183111",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"183112",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"183601",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"184585",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"186289",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"186385",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"186428",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"191485",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"200484",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"201343",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"203467",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"207652",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"208069",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"209037",
"Factors":{"B6 Status":"High","B6 Supplementation":"None"}
},
{
"Subject ID":"-",
"Sample ID":"195259",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"199594",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"199917",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"200332",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"202201",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"201676",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"209164",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"210061",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"213304",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
},
{
"Subject ID":"-",
"Sample ID":"214880",
"Factors":{"B6 Status":"High","B6 Supplementation":"After"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"n/a","COLLECTION_PROTOCOL_FILENAME":"Gregory_SECIM_Collections_20150313.txt"},

"TREATMENT":{"TREATMENT_SUMMARY":"n/a","TREATMENT_PROTOCOL_FILENAME":"Gregory_SECIM_Treatment_20150313.txt"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"SB_AA_Assay.pdf, SB_OA_Assay.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Thermo Quantiva QQQ","COLUMN_NAME":"Waters Acquity BEH C18 (100 x 2mm, 1.7um)","METHODS_FILENAME":"SB_OA_Assay.pdf"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_TYPE":"Triple quadrupole","MS_TYPE":"ESI","ION_MODE":"POSITIVE","INSTRUMENT_NAME":"Thermo Quantiva QQQ Thermo Quantiva"},

"MS_METABOLITE_DATA":{
"Units":"uM",

"Data":[{"Metabolite":"Lactate","181435":"1110.76","181749":"698.32","181896":"909.17","182346":"1662.93","183111":"427.98","183112":"1067.92","183601":"1294.01","184585":"881.95","184606":"940.93","184721":"605.10","185631":"843.82","186289":"1336.73","186373":"1032.22","186385":"791.13","186428":"645.85","191485":"943.77","193152":"1110.92","196356":"516.79","196557":"785.74","197265":"1130.44","197747":"915.62","198715":"1045.80","199594":"1376.90","199917":"852.15","200037":"585.09","200215":"1017.11","200332":"1091.58","200433":"659.98","200484":"617.08","200912":"884.10","200967":"613.10","201343":"1011.90","201440":"1096.83","201676":"631.85","202201":"1165.02","202463":"1207.55","203115":"459.15","203467":"986.25","203581":"576.19","203777":"762.43","203868":"500.96","207652":"562.35","208069":"560.88","208554":"759.37","208767":"970.98","209037":"558.18","209164":"1347.09","209363":"1003.58","209828":"671.02","210061":"619.03","210166":"1286.48","210190":"1244.94","212837":"928.74","213304":"1244.98","214460":"908.64","214880":"545.97"},{"Metabolite":"Pyruvate","181435":"68.44","181749":"57.31","181896":"85.59","182346":"90.43","183111":"34.42","183112":"100.99","183601":"87.27","184585":"60.71","184606":"72.72","184721":"46.45","185631":"50.41","186289":"68.71","186373":"68.04","186385":"67.74","186428":"52.05","191485":"66.41","193152":"97.27","196356":"42.12","196557":"61.61","197265":"89.72","197747":"87.92","198715":"102.40","199594":"144.61","199917":"45.27","200037":"54.01","200215":"76.09","200332":"154.64","200433":"61.61","200484":"53.42","200912":"102.36","200967":"44.59","201343":"65.15","201440":"126.83","201676":"75.38","202201":"141.23","202463":"88.04","203115":"54.75","203467":"63.74","203581":"44.53","203777":"62.71","203868":"23.61","207652":"40.70","208069":"37.30","208554":"56.55","208767":"135.78","209037":"46.68","209164":"129.52","209363":"103.70","209828":"59.55","210061":"67.35","210166":"93.98","210190":"117.86","212837":"77.28","213304":"107.66","214460":"58.60","214880":"52.40"},{"Metabolite":"3-HBA","181435":"15.90","181749":"12.09","181896":"48.31","182346":"27.27","183111":"291.67","183112":"61.43","183601":"29.10","184585":"34.85","184606":"518.96","184721":"118.63","185631":"33.35","186289":"52.15","186373":"25.93","186385":"118.54","186428":"305.86","191485":"44.47","193152":"36.43","196356":"94.25","196557":"68.05","197265":"40.60","197747":"82.61","198715":"63.67","199594":"38.43","199917":"22.25","200037":"28.24","200215":"57.67","200332":"23.06","200433":"30.09","200484":"46.85","200912":"28.22","200967":"119.18","201343":"28.59","201440":"31.12","201676":"51.00","202201":"30.62","202463":"34.89","203115":"81.58","203467":"32.39","203581":"289.93","203777":"284.48","203868":"118.71","207652":"228.87","208069":"28.07","208554":"48.42","208767":"113.36","209037":"126.50","209164":"308.22","209363":"45.54","209828":"54.37","210061":"32.35","210166":"35.62","210190":"98.88","212837":"35.07","213304":"36.00","214460":"43.65","214880":"48.61"},{"Metabolite":"Succinate","181435":"3.83","181749":"3.80","181896":"3.46","182346":"4.09","183111":"4.40","183112":"3.42","183601":"2.92","184585":"2.67","184606":"3.71","184721":"4.09","185631":"4.02","186289":"3.45","186373":"3.64","186385":"3.48","186428":"4.81","191485":"5.25","193152":"2.76","196356":"2.37","196557":"4.01","197265":"2.05","197747":"3.73","198715":"3.31","199594":"2.43","199917":"2.28","200037":"4.13","200215":"3.43","200332":"2.22","200433":"1.96","200484":"2.54","200912":"2.10","200967":"3.21","201343":"2.83","201440":"2.33","201676":"2.75","202201":"2.33","202463":"3.61","203115":"2.73","203467":"3.32","203581":"3.20","203777":"4.44","203868":"3.35","207652":"3.29","208069":"6.35","208554":"2.73","208767":"3.57","209037":"2.94","209164":"2.86","209363":"2.06","209828":"2.16","210061":"2.22","210166":"3.07","210190":"2.51","212837":"2.60","213304":"2.58","214460":"3.13","214880":"1.56"},{"Metabolite":"Fumarate","181435":"0.15","181749":"0.20","181896":"0.19","182346":"0.18","183111":"0.14","183112":"0.23","183601":"0.14","184585":"0.20","184606":"0.26","184721":"0.19","185631":"0.16","186289":"0.14","186373":"0.16","186385":"0.18","186428":"0.17","191485":"0.20","193152":"0.19","196356":"0.17","196557":"0.16","197265":"0.19","197747":"0.22","198715":"0.14","199594":"0.18","199917":"0.16","200037":"0.13","200215":"0.20","200332":"0.19","200433":"0.12","200484":"0.17","200912":"0.17","200967":"0.15","201343":"0.13","201440":"0.17","201676":"0.35","202201":"0.17","202463":"0.29","203115":"0.16","203467":"0.15","203581":"0.15","203777":"0.22","203868":"0.16","207652":"0.15","208069":"0.11","208554":"0.15","208767":"0.21","209037":"0.15","209164":"0.16","209363":"0.14","209828":"0.13","210061":"0.09","210166":"0.15","210190":"0.16","212837":"0.17","213304":"0.14","214460":"0.22","214880":"0.11"},{"Metabolite":"Malate","181435":"2.28","181749":"3.09","181896":"3.07","182346":"3.89","183111":"2.50","183112":"3.96","183601":"2.35","184585":"2.72","184606":"4.49","184721":"2.93","185631":"2.50","186289":"2.48","186373":"2.35","186385":"2.90","186428":"2.91","191485":"3.29","193152":"2.98","196356":"2.26","196557":"2.95","197265":"2.92","197747":"3.71","198715":"3.77","199594":"2.31","199917":"2.19","200037":"2.27","200215":"3.24","200332":"2.40","200433":"1.72","200484":"2.60","200912":"2.05","200967":"2.66","201343":"2.21","201440":"2.21","201676":"2.94","202201":"2.32","202463":"4.39","203115":"2.62","203467":"2.34","203581":"2.53","203777":"3.81","203868":"2.55","207652":"2.90","208069":"1.84","208554":"2.57","208767":"3.10","209037":"2.63","209164":"2.55","209363":"2.16","209828":"1.97","210061":"2.00","210166":"2.75","210190":"2.73","212837":"2.35","213304":"2.48","214460":"3.61","214880":"2.18"},{"Metabolite":"a-KG","181435":"7.74","181749":"7.19","181896":"12.16","182346":"13.67","183111":"9.35","183112":"11.85","183601":"5.38","184585":"4.85","184606":"9.80","184721":"12.06","185631":"9.34","186289":"4.93","186373":"5.78","186385":"7.03","186428":"7.15","191485":"20.54","193152":"5.06","196356":"3.56","196557":"4.93","197265":"5.89","197747":"7.16","198715":"5.03","199594":"5.34","199917":"3.71","200037":"6.02","200215":"5.41","200332":"5.37","200433":"12.25","200484":"3.69","200912":"4.80","200967":"9.73","201343":"4.36","201440":"6.27","201676":"4.80","202201":"5.13","202463":"6.58","203115":"4.15","203467":"5.46","203581":"6.87","203777":"8.80","203868":"3.97","207652":"4.86","208069":"3.29","208554":"3.25","208767":"5.93","209037":"4.02","209164":"6.00","209363":"3.20","209828":"5.44","210061":"3.14","210166":"4.43","210190":"7.39","212837":"4.34","213304":"5.04","214460":"5.47","214880":"3.77"},{"Metabolite":"Citrate","181435":"70.64","181749":"56.00","181896":"90.39","182346":"87.23","183111":"108.07","183112":"81.97","183601":"108.90","184585":"107.30","184606":"149.06","184721":"69.05","185631":"89.24","186289":"78.17","186373":"91.90","186385":"128.37","186428":"105.86","191485":"88.61","193152":"87.65","196356":"79.15","196557":"83.33","197265":"92.99","197747":"119.82","198715":"116.35","199594":"80.28","199917":"61.32","200037":"82.90","200215":"113.02","200332":"68.88","200433":"48.06","200484":"78.23","200912":"71.81","200967":"89.84","201343":"74.39","201440":"96.91","201676":"76.12","202201":"95.27","202463":"107.02","203115":"93.39","203467":"80.44","203581":"122.14","203777":"132.60","203868":"87.11","207652":"76.88","208069":"67.56","208554":"81.08","208767":"90.74","209037":"59.26","209164":"98.84","209363":"65.74","209828":"65.43","210061":"58.78","210166":"82.91","210190":"102.90","212837":"85.43","213304":"96.60","214460":"116.69","214880":"69.48"}],

"Metabolites":[{"Metabolite":"Lactate","Retention Index":"3.98","Moverz Quant":"196.1, 91.062","PubChem CID":"107689"},{"Metabolite":"Pyruvate","Retention Index":"6.68","Moverz Quant":"299.1, 91.186","PubChem CID":"1060"},{"Metabolite":"3-HBA","Retention Index":"4.21","Moverz Quant":"210.1, 91.153","PubChem CID":"441"},{"Metabolite":"Succinate","Retention Index":"5.44","Moverz Quant":"329.1, 206.233","PubChem CID":"1110"},{"Metabolite":"Fumarate","Retention Index":"5.59","Moverz Quant":"327.1, 91.192","PubChem CID":"444972"},{"Metabolite":"Malate","Retention Index":"5.28","Moverz Quant":"345.1, 91.18","PubChem CID":"525"},{"Metabolite":"a-KG","Retention Index":"6.59","Moverz Quant":"462.2, 91.2","PubChem CID":"164533"},{"Metabolite":"Citrate","Retention Index":"5.95","Moverz Quant":"508.25, 385","PubChem CID":"311"}]
}

}